A0A093JQ66_STRCA Loading...

Molecular chaperone MKKS

Probable molecular chaperone that assists the folding of proteins upon ATP hydrolysis. Plays a role in the assembly of BBSome, a complex involved in ciliogenesis regulating transports vesicles to the cilia. May play a role in protein processing in limb, cardiac and reproductive system development. May play a role in cytokinesis.

AlphaFold DB , UniProt , Accession A0A093JQ66, Species STRCA (Struthio camelus australis), Gene n/a, Length 572 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M45.8Very low69.5Low241 Ų241136.2 Ų136.2100%1.18772%0.721SS**  096.30-69.6-159.9-115.400108.2R3M1-R3 PolarHBondContact O-N 2.81Å
2S49.9Very low70.8Confident108 Ų108131.3 Ų131.376%0.75570%0.704SS**  trans-66115.9169.147.70000107.7V4S2-V4 PolarHBondContact O-N 2.74Å
3R54.2Low71.7Confident221 Ų221124.6 Ų124.683%0.83467%0.671SS**  trans-63.6108.3170.9-79.5-178.5171.2178.9-2.3107.1M1 E5M1-R3 PolarHBondContact O-N 2.81Å; R3-E5 PolarHBondContact O-N 3.34Å
4V62Low72.5Confident137 Ų137122.1 Ų122.183%0.8367%0.668SS**  trans-73.387.6166.2-1780000105.2S2S2-V4 PolarHBondContact O-N 2.74Å
5E69.4Low73Confident146 Ų146123.5 Ų123.568%0.68267%0.668SS**PPolyproline II helixtrans-68.1136.6168.3-73.3-173.6173.500108.4R3 K7R3-E5 PolarHBondContact O-N 3.34Å; E5-K7 PolarHBondContact O-N 3.16Å
6A72.9Confident73.4Confident92 Ų92115.8 Ų115.876%0.7663%0.626SS**PPolyproline II helixtrans-63132.7177.500000109.2K8A6-K8 PolarHBondContact O-N 3.39Å; A6-K8 VanDerWaalsContact O-N 3.16Å
7K76.6Confident73.9Confident184 Ų184110.4 Ų110.480%0.860%0.597SS**PPolyproline II helixtrans-56.5121.9177.8-75.6-170.6176.2-170.30109.8E5 N572E5-K7 PolarHBondContact O-N 3.16Å; K7-N572 WeakPolarHBondContact CA-OD1 3.17Å
8K81.8Confident74.2Confident114 Ų114107.6 Ų107.650%0.49659%0.591SS.*PPolyproline II helixtrans-71.1142171.8-68.3176.7-174.5168.60109A6 Q571 N572A6-K8 PolarHBondContact O-N 3.39Å; A6-K8 VanDerWaalsContact O-N 3.16Å; K8-Q571 HydrophobicContact CB-CB 3.85Å; K8-Q571 HydrophobicContact CD-CB 4.2Å; K8-N572 PolarHBondContact N-OD1 3.3Å; K8-N572 PolarHBondContact O-ND2 3.02Å
9P82.1Confident74.6Confident109 Ų109106.1 Ų106.171%0.70858%0.579SS**PPolyproline II helixtrans-64.4144.1173.928.5-33.8000110.1
10S85.3Confident74.9Confident65 Ų65107.4 Ų107.446%0.45559%0.585SS.*PPolyproline II helixtrans-63.6139.5174.4-480000110.4E569S10-E569 CarbonylContact C-O 3.57Å; S10-E569 WeakPolarHBondContact CA-O 3.36Å; S10-E569 WeakPolarHBondContact CB-O 3.21Å
11L84.7Confident75.4Confident81 Ų81105.8 Ų105.842%0.42458%0.579SS.*EExtended strand (participates in β ladder)trans-80.6130.5172.1-67.7-178.4000109.3I568 E569 Q571L11-I568 CarbonylContact O-C 3.48Å; L11-I568 WeakPolarHBondContact O-CA 3.33Å; L11-E569 HydrophobicContact CB-CB 4.42Å; L11-E569 PolarHBondContact N-O 3.16Å; L11-E569 PolarHBondContact O-N 2.89Å; L11-Q571 HydrophobicContact CD1-CG 4.47Å; L11-Q571 HydrophobicContact CG-CG 4.14Å; L11-Q571 VanDerWaalsContact CG-NE2 3.34Å
12C84.7Confident77.3Confident77 Ų7794.4 Ų94.452%0.5252%0.523SS..EExtended strand (participates in β ladder)trans-115.8112.7173.8-174.60000109.1I567C12-I567 CarbonylContact C-O 3.59Å; C12-I567 WeakPolarHBondContact CA-O 3.37Å
13V82.2Confident79Confident45 Ų4593 Ų9327%0.27351%0.505SS..EExtended strand (participates in β ladder)trans-98.5119.3174.7179.70000108P16 E19 C566 I567V13-P16 HydrophobicContact CG1-CB 4.39Å; V13-E19 HydrophobicContact CG1-CG 4.45Å; V13-E19 VanDerWaalsContact CG1-OE1 3.23Å; V13-E19 WeakPolarHBondContact CG1-OE1 3.43Å; V13-C566 CarbonylContact O-C 3.55Å; V13-C566 WeakPolarHBondContact O-CA 3.45Å; V13-I567 HydrophobicContact CB-CB 4.48Å; V13-I567 PolarHBondContact N-O 3.05Å; V13-I567 PolarHBondContact O-N 2.77Å
14S82.8Confident80.7Confident89 Ų8988.9 Ų88.962%0.62250%0.495SS*.EExtended strand (participates in β ladder)trans-92.5145.5174.6-58.60000110
15E80.6Confident82.1Confident144 Ų14484.3 Ų84.367%0.67347%0.469SS*.SBendtrans50.458.8-177.1-60.7-173.4170.900112.9L17 A18 S565E15-L17 PolarHBondContact O-N 3.5Å; E15-A18 HydrophobicContact CB-CB 4.21Å; E15-A18 VanDerWaalsContact O-CB 3.28Å; E15-A18 WeakPolarHBondContact O-CB 3.36Å; E15-A18 PolarHBondContact O-N 2.99Å; E15-S565 PolarHBondContact N-O 2.84Å
16P79.5Confident83.2Confident0 Ų077.6 Ų77.60%044%0.438CS..G310 helixtrans-61.4-23.5-170.229.6-39.5000113.4V13 A18 V22 I73 L564 I567V13-P16 HydrophobicContact CG1-CB 4.39Å; P16-A18 VanDerWaalsContact C-N 3.29Å; P16-A18 PolarHBondContact O-N 3.21Å; P16-V22 VanDerWaalsContact O-CG2 3.28Å; P16-V22 WeakPolarHBondContact O-CG2 3.4Å; P16-I73 HydrophobicContact CB-CD1 3.93Å; P16-I73 HydrophobicContact CG-CD1 4.12Å; P16-L564 HydrophobicContact CG-CB 4.15Å; P16-I567 HydrophobicContact CB-CD1 3.37Å; P16-I567 HydrophobicContact CB-CG1 3.78Å; P16-I567 HydrophobicContact CG-CD1 3.93Å; P16-I567 HydrophobicContact CG-CG1 3.92Å
17L80.9Confident84.1Confident24 Ų2476.1 Ų76.113%0.12642%0.422CS..G310 helixtrans-72.9-18.3175-75.9175.2000113.8E15 E19 V22 I73 I103 K107 I561 L562E15-L17 PolarHBondContact O-N 3.5Å; L17-E19 VanDerWaalsContact C-N 3.28Å; L17-V22 HydrophobicContact CD2-CG1 4.25Å; L17-I73 HydrophobicContact CD2-CD1 3.85Å; L17-I73 HydrophobicContact CG-CD1 4.15Å; L17-I103 HydrophobicContact CD2-CG2 4.22Å; L17-K107 WeakPolarHBondContact O-CE 3.48Å; L17-K107 PolarHBondContact O-NZ 2.89Å; L17-I561 HydrophobicContact CD1-CG2 4.05Å; L17-I561 VanDerWaalsContact CD1-O 3.29Å; L17-I561 WeakPolarHBondContact CD1-O 3.14Å; L17-I561 HydrophobicContact CD2-CG2 3.73Å; L17-I561 HydrophobicContact CG-CG2 4.28Å; L17-L562 HydrophobicContact CD1-CD2 4.1Å
18A79.5Confident84.9Confident59 Ų5971.3 Ų71.349%0.48841%0.408SS..G310 helixtrans-72.8-23.5177.300000112E15 P16E15-A18 HydrophobicContact CB-CB 4.21Å; E15-A18 VanDerWaalsContact O-CB 3.28Å; E15-A18 WeakPolarHBondContact O-CB 3.36Å; E15-A18 PolarHBondContact O-N 2.99Å; P16-A18 VanDerWaalsContact C-N 3.29Å; P16-A18 PolarHBondContact O-N 3.21Å
19E81.8Confident85.5Confident79 Ų7966.2 Ų66.237%0.36939%0.386SS..  trans-65.2134.1-179.5-63.7-163.616300112.9V13 L17 T21 V22 H23V13-E19 HydrophobicContact CG1-CG 4.45Å; V13-E19 VanDerWaalsContact CG1-OE1 3.23Å; V13-E19 WeakPolarHBondContact CG1-OE1 3.43Å; L17-E19 VanDerWaalsContact C-N 3.28Å; E19-T21 VanDerWaalsContact C-N 3.25Å; E19-T21 WeakPolarHBondContact CB-OG1 3.23Å; E19-T21 PolarHBondContact O-N 3.22Å; E19-T21 PolarHBondContact OE2-OG1 2.84Å; E19-T21 VanDerWaalsContact OE2-OG1 3.09Å; E19-V22 HydrophobicContact CB-CG2 4.1Å; E19-V22 PolarHBondContact O-N 3.2Å; E19-H23 PolarHBondContact O-N 3.35Å
20D81.9Confident86.1Confident132 Ų13261.2 Ų61.271%0.70635%0.354SS*.Hα-helixtrans-64.4-31.4177.9-72-30.6000112.4V22 H23 Q24D20-V22 VanDerWaalsContact C-N 3.32Å; D20-V22 PolarHBondContact O-N 3.18Å; D20-H23 PolarHBondContact O-N 3.39Å; D20-Q24 WeakPolarHBondContact O-CB 3.34Å; D20-Q24 PolarHBondContact O-N 3.11Å
21T84.9Confident86.5Confident75 Ų7559.9 Ų59.946%0.4635%0.35SS..Hα-helixtrans-58.4-42.4176.252.10000111.6E19 S25E19-T21 VanDerWaalsContact C-N 3.25Å; E19-T21 WeakPolarHBondContact CB-OG1 3.23Å; E19-T21 PolarHBondContact O-N 3.22Å; E19-T21 PolarHBondContact OE2-OG1 2.84Å; E19-T21 VanDerWaalsContact OE2-OG1 3.09Å; T21-S25 WeakPolarHBondContact O-CB 3.39Å; T21-S25 PolarHBondContact O-N 2.86Å; T21-S25 PolarHBondContact O-OG 3.07Å
22V86.2Confident87Confident1 Ų158.6 Ų58.61%0.00634%0.343CS..Hα-helixtrans-68.4-44.3178.2179.70000110.6P16 L17 E19 D20 S25 L26 H71 I73P16-V22 VanDerWaalsContact O-CG2 3.28Å; P16-V22 WeakPolarHBondContact O-CG2 3.4Å; L17-V22 HydrophobicContact CD2-CG1 4.25Å; E19-V22 HydrophobicContact CB-CG2 4.1Å; E19-V22 PolarHBondContact O-N 3.2Å; D20-V22 VanDerWaalsContact C-N 3.32Å; D20-V22 PolarHBondContact O-N 3.18Å; V22-S25 PolarHBondContact O-N 2.92Å; V22-L26 HydrophobicContact CG1-CD1 4.02Å; V22-L26 HydrophobicContact CG1-CG 4.41Å; V22-L26 WeakPolarHBondContact O-CB 3.4Å; V22-L26 WeakPolarHBondContact O-CG 3.06Å; V22-L26 PolarHBondContact O-N 3.25Å; V22-H71 WeakPolarHBondContact CG2-CE1 3.34Å; V22-H71 WeakPolarHBondContact CG2-NE2 3.48Å; V22-I73 HydrophobicContact CG1-CD1 3.82Å; V22-I73 HydrophobicContact CG1-CG2 4.5Å; V22-I73 HydrophobicContact CG2-CD1 4.46Å
23H86Confident87.5Confident79 Ų7955 Ų5537%0.36632%0.318SS..Hα-helixtrans-61.7-45.5177.4178.2-95.3000111.7E19 D20 S25 L26 S27E19-H23 PolarHBondContact O-N 3.35Å; D20-H23 PolarHBondContact O-N 3.39Å; H23-S25 VanDerWaalsContact C-N 3.34Å; H23-S25 PolarHBondContact O-N 3.16Å; H23-L26 PolarHBondContact O-N 3.21Å; H23-S27 WeakPolarHBondContact O-CB 3.07Å; H23-S27 PolarHBondContact O-N 2.87Å
24Q89.3Confident88.1Confident134 Ų13455.2 Ų55.263%0.62632%0.316SS*.Hα-helixtrans-61.7-43.6176.1-172.3175.86.800111.2D20 S27 V28D20-Q24 WeakPolarHBondContact O-CB 3.34Å; D20-Q24 PolarHBondContact O-N 3.11Å; Q24-S27 PolarHBondContact O-N 3.21Å; Q24-V28 VanDerWaalsContact O-CG2 3.28Å; Q24-V28 WeakPolarHBondContact O-CG2 3.1Å; Q24-V28 PolarHBondContact O-N 3.33Å
25S91.6Very high88.6Confident42 Ų4252.8 Ų52.829%0.29430%0.299SS..Hα-helixtrans-65-42.5179.4-59.20000112.4T21 V22 H23 V28 L29T21-S25 WeakPolarHBondContact O-CB 3.39Å; T21-S25 PolarHBondContact O-N 2.86Å; T21-S25 PolarHBondContact O-OG 3.07Å; V22-S25 PolarHBondContact O-N 2.92Å; H23-S25 VanDerWaalsContact C-N 3.34Å; H23-S25 PolarHBondContact O-N 3.16Å; S25-V28 PolarHBondContact O-N 2.89Å; S25-L29 WeakPolarHBondContact O-CB 3.29Å; S25-L29 PolarHBondContact O-N 2.81Å
26L92.1Very high89.1Confident5 Ų546 Ų463%0.02627%0.268CS..Hα-helixtrans-62.3-44.2174.2-78171.4000111.5V22 H23 V28 L29 S30 L74 L77 I103V22-L26 HydrophobicContact CG1-CD1 4.02Å; V22-L26 HydrophobicContact CG1-CG 4.41Å; V22-L26 WeakPolarHBondContact O-CB 3.4Å; V22-L26 WeakPolarHBondContact O-CG 3.06Å; V22-L26 PolarHBondContact O-N 3.25Å; H23-L26 PolarHBondContact O-N 3.21Å; L26-V28 PolarHBondContact O-N 3.3Å; L26-L29 PolarHBondContact O-N 3.05Å; L26-S30 WeakPolarHBondContact O-CB 3.3Å; L26-S30 PolarHBondContact O-N 3.29Å; L26-L74 HydrophobicContact CD2-CD1 3.95Å; L26-L74 HydrophobicContact CD2-CG 4.19Å; L26-L74 HydrophobicContact CG-CD1 4.02Å; L26-L77 HydrophobicContact CD2-CD1 4.13Å; L26-I103 HydrophobicContact CD1-CG2 3.93Å
27S91.7Very high89.9Confident60 Ų6047.3 Ų47.342%0.4227%0.273SS..Hα-helixtrans-62.8-42177.9-179.30000111.9H23 Q24 S30 G31H23-S27 WeakPolarHBondContact O-CB 3.07Å; H23-S27 PolarHBondContact O-N 2.87Å; Q24-S27 PolarHBondContact O-N 3.21Å; S27-S30 PolarHBondContact O-N 2.93Å; S27-G31 PolarHBondContact O-N 2.87Å
28V93.5Very high90.4Very high83 Ų8346.6 Ų46.650%0.50327%0.271SS..Hα-helixtrans-62.2-48.4174.4170.30000111Q24 S25 L26 S30 G31 I32Q24-V28 VanDerWaalsContact O-CG2 3.28Å; Q24-V28 WeakPolarHBondContact O-CG2 3.1Å; Q24-V28 PolarHBondContact O-N 3.33Å; S25-V28 PolarHBondContact O-N 2.89Å; L26-V28 PolarHBondContact O-N 3.3Å; V28-S30 PolarHBondContact O-N 3.14Å; V28-G31 PolarHBondContact O-N 2.86Å; V28-I32 HydrophobicContact CG1-CD1 3.95Å; V28-I32 WeakPolarHBondContact O-CG1 3.43Å; V28-I32 PolarHBondContact O-N 3.47Å
29L94.4Very high90.9Very high8 Ų847.4 Ų47.44%0.04227%0.271CS..Hα-helixtrans-60-46.6177.4178.961.6000111.2S25 L26 G31 I32 L33 L67 L74 L77 T78S25-L29 WeakPolarHBondContact O-CB 3.29Å; S25-L29 PolarHBondContact O-N 2.81Å; L26-L29 PolarHBondContact O-N 3.05Å; L29-G31 PolarHBondContact O-N 2.9Å; L29-I32 PolarHBondContact O-N 3.07Å; L29-L33 HydrophobicContact CD1-CD1 3.91Å; L29-L33 HydrophobicContact CD1-CG 4.25Å; L29-L33 HydrophobicContact CG-CD1 3.88Å; L29-L33 VanDerWaalsContact O-CG 3.25Å; L29-L33 WeakPolarHBondContact O-CG 3.41Å; L29-L33 PolarHBondContact O-N 3.04Å; L29-L67 HydrophobicContact CD1-CD1 4.2Å; L29-L74 HydrophobicContact CB-CD2 4.49Å; L29-L74 HydrophobicContact CD2-CD2 4.29Å; L29-L74 HydrophobicContact CD2-CG 4.28Å; L29-L77 HydrophobicContact CD2-CD2 4.07Å; L29-T78 HydrophobicContact CD2-CG2 4.29Å
30S94.8Very high91.2Very high4 Ų445.8 Ų45.83%0.02827%0.271CS..Hα-helixtrans-56.3-47.3175.5-171.80000111.2L26 S27 V28 I32 L33 K34L26-S30 WeakPolarHBondContact O-CB 3.3Å; L26-S30 PolarHBondContact O-N 3.29Å; S27-S30 PolarHBondContact O-N 2.93Å; V28-S30 PolarHBondContact O-N 3.14Å; S30-I32 PolarHBondContact O-N 3.44Å; S30-L33 PolarHBondContact O-N 2.94Å; S30-K34 VanDerWaalsContact O-CB 3.31Å; S30-K34 WeakPolarHBondContact O-CB 3.33Å; S30-K34 VanDerWaalsContact O-CG 3.23Å; S30-K34 WeakPolarHBondContact O-CG 3.26Å; S30-K34 PolarHBondContact O-N 3.37Å; S30-K34 VanDerWaalsContact OG-CE 3.3Å; S30-K34 WeakPolarHBondContact OG-CE 3.38Å
31G94.1Very high91.6Very high37 Ų3739.8 Ų39.838%0.38124%0.241SC..Hα-helixtrans-62.8-41.1177.400000113.8S27 V28 L29 L33 S35S27-G31 PolarHBondContact O-N 2.87Å; V28-G31 PolarHBondContact O-N 2.86Å; L29-G31 PolarHBondContact O-N 2.9Å; G31-L33 VanDerWaalsContact C-N 3.34Å; G31-L33 PolarHBondContact O-N 3.01Å; G31-S35 VanDerWaalsContact O-CB 3.29Å; G31-S35 WeakPolarHBondContact O-CB 3.36Å; G31-S35 PolarHBondContact O-N 3.07Å; G31-S35 VanDerWaalsContact O-N 3.11Å; G31-S35 PolarHBondContact O-OG 3.21Å
32I93.9Very high92Very high54 Ų5441.6 Ų41.628%0.27724%0.239SC..Hα-helixtrans-60.4-45.9175.5-68.7165.7000110.5V28 L29 S30 S35 K44 V63V28-I32 HydrophobicContact CG1-CD1 3.95Å; V28-I32 WeakPolarHBondContact O-CG1 3.43Å; V28-I32 PolarHBondContact O-N 3.47Å; L29-I32 PolarHBondContact O-N 3.07Å; S30-I32 PolarHBondContact O-N 3.44Å; I32-S35 PolarHBondContact O-OG 2.98Å; I32-K44 WeakPolarHBondContact O-CE 3.49Å; I32-V63 HydrophobicContact CG2-CG1 4.38Å
33L95.4Very high92.3Very high0 Ų044.7 Ų44.70%026%0.255CS..Hα-helixtrans-74.5-44.9-176.1-64.5167000112.4L29 S30 G31 S35 C36 Y37 V63 L64 L93 A96 I97L29-L33 HydrophobicContact CD1-CD1 3.91Å; L29-L33 HydrophobicContact CD1-CG 4.25Å; L29-L33 HydrophobicContact CG-CD1 3.88Å; L29-L33 VanDerWaalsContact O-CG 3.25Å; L29-L33 WeakPolarHBondContact O-CG 3.41Å; L29-L33 PolarHBondContact O-N 3.04Å; S30-L33 PolarHBondContact O-N 2.94Å; G31-L33 VanDerWaalsContact C-N 3.34Å; G31-L33 PolarHBondContact O-N 3.01Å; L33-S35 VanDerWaalsContact C-N 3.3Å; L33-S35 PolarHBondContact O-N 3.44Å; L33-C36 PolarHBondContact O-N 3.38Å; L33-C36 PolarHBondContact O-SG 3.04Å; L33-Y37 PolarHBondContact O-N 3.44Å; L33-V63 HydrophobicContact CD2-CG1 4.41Å; L33-L64 HydrophobicContact CD2-CD2 4.16Å; L33-L93 HydrophobicContact CB-CD2 4.37Å; L33-L93 HydrophobicContact CD2-CD2 3.69Å; L33-A96 HydrophobicContact CD1-CB 3.55Å; L33-I97 HydrophobicContact CB-CD1 4.5Å; L33-I97 HydrophobicContact CB-CG1 3.92Å
34K94.8Very high92.7Very high51 Ų5142.6 Ų42.622%0.22225%0.245CC..Hα-helixtrans-57.9-45.4177.3-73.5-178.8178.5178.80110.6S30 C36 Y37 I97 S458 S462 H465S30-K34 VanDerWaalsContact O-CB 3.31Å; S30-K34 WeakPolarHBondContact O-CB 3.33Å; S30-K34 VanDerWaalsContact O-CG 3.23Å; S30-K34 WeakPolarHBondContact O-CG 3.26Å; S30-K34 PolarHBondContact O-N 3.37Å; S30-K34 VanDerWaalsContact OG-CE 3.3Å; S30-K34 WeakPolarHBondContact OG-CE 3.38Å; K34-C36 PolarHBondContact O-N 3.32Å; K34-C36 VanDerWaalsContact O-N 3.1Å; K34-Y37 WeakPolarHBondContact O-CB 3.44Å; K34-Y37 PolarHBondContact O-N 3.24Å; K34-I97 HydrophobicContact CD-CG2 4.34Å; K34-I97 HydrophobicContact CG-CD1 4.19Å; K34-I97 HydrophobicContact CG-CG1 4.02Å; K34-I97 HydrophobicContact CG-CG2 3.75Å; K34-S458 PolarHBondContact NZ-OG 3.22Å; K34-S462 WeakPolarHBondContact CG-OG 3.42Å; K34-H465 PolarHBondContact O-CE1 3.29Å; K34-H465 VanDerWaalsContact O-CE1 3.24Å
35S92.9Very high92.8Very high38 Ų3842.3 Ų42.327%0.26624%0.243SC..THydrogen-bonded Turntrans-68.2-7.3-177.362.70000115.3G31 I32 L33 R42 K44G31-S35 VanDerWaalsContact O-CB 3.29Å; G31-S35 WeakPolarHBondContact O-CB 3.36Å; G31-S35 PolarHBondContact O-N 3.07Å; G31-S35 VanDerWaalsContact O-N 3.11Å; G31-S35 PolarHBondContact O-OG 3.21Å; I32-S35 PolarHBondContact O-OG 2.98Å; L33-S35 VanDerWaalsContact C-N 3.3Å; L33-S35 PolarHBondContact O-N 3.44Å; S35-R42 WeakPolarHBondContact O-CA 3.33Å; S35-R42 VanDerWaalsContact O-CB 3.23Å; S35-R42 WeakPolarHBondContact O-CB 3.28Å; S35-R42 PolarHBondContact O-N 2.85Å; S35-K44 PolarHBondContact O-NZ 2.92Å; S35-K44 VanDerWaalsContact OG-CE 3.32Å; S35-K44 WeakPolarHBondContact OG-CE 3.49Å; S35-K44 PolarHBondContact OG-NZ 2.79Å
36C92.5Very high92.7Very high2 Ų241.7 Ų41.71%0.01424%0.237CC..THydrogen-bonded Turntrans-1149.917159.50000113.8L33 K34 R42 K44L33-C36 PolarHBondContact O-N 3.38Å; L33-C36 PolarHBondContact O-SG 3.04Å; K34-C36 PolarHBondContact O-N 3.32Å; K34-C36 VanDerWaalsContact O-N 3.1Å; C36-R42 VanDerWaalsContact CB-O 3.25Å; C36-R42 WeakPolarHBondContact CB-O 3.35Å; C36-K44 HydrophobicContact CB-CG 4.28Å
37Y94.8Very high92.6Very high27 Ų2747.6 Ų47.611%0.10626%0.264CS..  trans-80.5128.9-176.8-170.3-122.4000112.9L33 K34 L93 F94 I97 V459 L463 H465L33-Y37 PolarHBondContact O-N 3.44Å; K34-Y37 WeakPolarHBondContact O-CB 3.44Å; K34-Y37 PolarHBondContact O-N 3.24Å; Y37-L93 HydrophobicContact CD2-CB 3.55Å; Y37-L93 HydrophobicContact CD2-CD1 4.03Å; Y37-L93 HydrophobicContact CD2-CG 4.45Å; Y37-L93 HydrophobicContact CE2-CB 4.05Å; Y37-F94 HydrophobicContact CE2-CB 4.26Å; Y37-I97 HydrophobicContact CD1-CD1 4.27Å; Y37-I97 HydrophobicContact CD2-CD1 3.99Å; Y37-I97 HydrophobicContact CG-CD1 3.76Å; Y37-V459 HydrophobicContact CE1-CG1 3.79Å; Y37-V459 WeakPolarHBondContact CE1-O 3.27Å; Y37-L463 HydrophobicContact CD1-CD2 3.58Å; Y37-L463 HydrophobicContact CD1-CG 3.83Å; Y37-L463 HydrophobicContact CE1-CD1 4.39Å; Y37-L463 HydrophobicContact CE1-CD2 3.47Å; Y37-L463 VanDerWaalsContact CE1-CD2 3.47Å; Y37-L463 HydrophobicContact CE1-CG 3.63Å; Y37-L463 HydrophobicContact CG-CD2 4.36Å; Y37-H465 PolarHBondContact O-NE2 2.74Å
38G92.1Very high92.2Very high8 Ų848 Ų488%0.08226%0.261CS..SBendtrans83.5-179.6174.200000115.7A40 G41G38-A40 VanDerWaalsContact C-N 3.29Å; G38-A40 PolarHBondContact O-N 3.07Å; G38-G41 PolarHBondContact O-N 3.17Å
39P90.9Very high91.6Very high77 Ų7748.5 Ų48.550%0.528%0.284SS..THydrogen-bonded Turntrans-61.5-31.7-175.6-23.133.1000114.6G41P39-G41 VanDerWaalsContact C-N 3.32Å
40A87.9Confident91.1Very high45 Ų4556.8 Ų56.837%0.37232%0.324SS..THydrogen-bonded Turntrans-90.35.517800000113.5G38 R42 H465G38-A40 VanDerWaalsContact C-N 3.29Å; G38-A40 PolarHBondContact O-N 3.07Å; A40-R42 PolarHBondContact O-NH1 3.48Å; A40-H465 VanDerWaalsContact C-CD2 3.5Å; A40-H465 PolarHBondContact O-CD2 2.98Å
41G90.5Very high90.3Very high6 Ų658.8 Ų58.86%0.06235%0.346CS..PPolyproline II helixtrans-61.4142.9-177.800000113.5G38 P39 P162 H465G38-G41 PolarHBondContact O-N 3.17Å; P39-G41 VanDerWaalsContact C-N 3.32Å; G41-P162 WeakPolarHBondContact O-CG 3.14Å; G41-H465 WeakPolarHBondContact CA-NE2 3.31Å
42R92.4Very high89.7Confident113 Ų11360.3 Ų60.343%0.42636%0.361SS..PPolyproline II helixtrans-77.5135.7177.4-48.9-55.5-168.7-140.54.5111.1S35 C36 A40 K44 H465 D466S35-R42 WeakPolarHBondContact O-CA 3.33Å; S35-R42 VanDerWaalsContact O-CB 3.23Å; S35-R42 WeakPolarHBondContact O-CB 3.28Å; S35-R42 PolarHBondContact O-N 2.85Å; C36-R42 VanDerWaalsContact CB-O 3.25Å; C36-R42 WeakPolarHBondContact CB-O 3.35Å; A40-R42 PolarHBondContact O-NH1 3.48Å; R42-K44 PolarHBondContact O-NZ 2.89Å; R42-K44 VanDerWaalsContact O-NZ 3.11Å; R42-H465 PolarHBondContact NH2-O 3.46Å; R42-H465 VanDerWaalsContact NH2-O 3.07Å; R42-D466 IonicContact CZ-OD1 2.77Å; R42-D466 IonicContact NH1-OD1 3.24Å; R42-D466 PolarHBondContact NH1-OD1 2.98Å; R42-D466 IonicContact NH2-OD1 3.87Å; R42-D466 PolarHBondContact NH2-OD1 3.3Å
43L93.5Very high89.1Confident66 Ų6663.8 Ų63.835%0.34637%0.372SS..PPolyproline II helixtrans-68.4148.4-179.4-47.9-171.1000111.5T56 P162 A163L43-T56 HydrophobicContact CB-CG2 4.1Å; L43-T56 HydrophobicContact CD1-CG2 4Å; L43-P162 HydrophobicContact CD2-CB 4.09Å; L43-P162 HydrophobicContact CD2-CG 3.93Å; L43-A163 HydrophobicContact CD2-CB 3.82Å
44K93Very high88.7Confident34 Ų3466.2 Ų66.215%0.14839%0.386CS..EExtended strand (participates in β ladder)trans-108.8128.3173.8-54.8-56.9177.7-118.30109.2I32 S35 C36 R42 T56 T57 V63I32-K44 WeakPolarHBondContact O-CE 3.49Å; S35-K44 PolarHBondContact O-NZ 2.92Å; S35-K44 VanDerWaalsContact OG-CE 3.32Å; S35-K44 WeakPolarHBondContact OG-CE 3.49Å; S35-K44 PolarHBondContact OG-NZ 2.79Å; C36-K44 HydrophobicContact CB-CG 4.28Å; R42-K44 PolarHBondContact O-NZ 2.89Å; R42-K44 VanDerWaalsContact O-NZ 3.11Å; K44-T56 CarbonylContact O-C 3.58Å; K44-T56 WeakPolarHBondContact O-CA 3.2Å; K44-T57 PolarHBondContact N-O 2.85Å; K44-T57 PolarHBondContact O-N 3.23Å; K44-V63 HydrophobicContact CB-CG2 4.29Å; K44-V63 HydrophobicContact CG-CG2 4.13Å
45Q92.4Very high88.3Confident128 Ų12864.2 Ų64.260%0.59838%0.379SS*.EExtended strand (participates in β ladder)trans-100.7117.6170.2-68.9-173.4-31.500108.4V54 T56Q45-V54 HydrophobicContact CB-CG1 4.29Å; Q45-T56 HydrophobicContact CG-CG2 4.31Å
46L89.8Confident88.2Confident29 Ų2964 Ų6415%0.15238%0.376CS..EExtended strand (participates in β ladder)trans-108.8120.8-174.6-56.2163.6000108.1C55 T57 C66L46-C55 HydrophobicContact CB-CB 4.22Å; L46-C55 HydrophobicContact CD1-CB 4.49Å; L46-C55 PolarHBondContact N-O 3.06Å; L46-C55 PolarHBondContact O-N 3.22Å; L46-T57 HydrophobicContact CD1-CG2 3.55Å; L46-T57 HydrophobicContact CG-CG2 4.45Å; L46-C66 HydrophobicContact CB-CB 4.33Å; L46-C66 HydrophobicContact CD1-CB 3.77Å; L46-C66 HydrophobicContact CD2-CB 4.42Å; L46-C66 HydrophobicContact CG-CB 4.4Å
47H88.4Confident88.3Confident130 Ų13063.9 Ų63.960%0.60238%0.375SS*.  trans-108.4138.4-178-62.1-104000109.4
48N84.1Confident88.1Confident68 Ų6862.8 Ų62.836%0.36437%0.371SS..  trans-83.3150.2169.664.6-14.4000110.3M50 G51N48-M50 PolarHBondContact O-N 3.04Å; N48-M50 VanDerWaalsContact O-N 3.16Å; N48-G51 PolarHBondContact ND2-O 2.92Å; N48-G51 PolarHBondContact O-N 2.88Å; N48-G51 VanDerWaalsContact OD1-CA 3.26Å; N48-G51 WeakPolarHBondContact OD1-CA 3.47Å; N48-G51 PolarHBondContact OD1-N 3.31Å; N48-G51 PolarHBondContact OD1-O 3.37Å
49G81.1Confident88.1Confident94 Ų9462.7 Ų62.797%0.96937%0.369SS*.THydrogen-bonded Turntrans-65.9-15.4179.800000114.8
50M82.9Confident88.2Confident181 Ų18159.7 Ų59.789%0.89235%0.35SS*.THydrogen-bonded Turntrans-95-4-179.8-61.3-174-66.800113.7N48N48-M50 PolarHBondContact O-N 3.04Å; N48-M50 VanDerWaalsContact O-N 3.16Å
51G78.8Confident88.4Confident47 Ų4759.3 Ų59.349%0.48534%0.344SS..  trans75.2166.1-171.200000113.8N48N48-G51 PolarHBondContact ND2-O 2.92Å; N48-G51 PolarHBondContact O-N 2.88Å; N48-G51 VanDerWaalsContact OD1-CA 3.26Å; N48-G51 WeakPolarHBondContact OD1-CA 3.47Å; N48-G51 PolarHBondContact OD1-N 3.31Å; N48-G51 PolarHBondContact OD1-O 3.37Å
52G81.2Confident88.5Confident68 Ų6859 Ų5970%0.70134%0.342SS*.SBendtrans114-123.9179.500000113.3V54G52-V54 PolarHBondContact O-N 3.42Å
53Y81.1Confident88.5Confident127 Ų12753.7 Ų53.750%0.49832%0.322SS..  trans-61.2120.7-173.8177.8-96.1000111.9C55 D386Y53-C55 HydrophobicContact CD1-CB 4.4Å; Y53-C55 HydrophobicContact CE1-CB 3.77Å; Y53-D386 PolarHBondContact OH-OD2 3.44Å
54V86.9Confident88.5Confident51 Ų5150.7 Ų50.731%0.30931%0.306SS..  trans-99.6118.4173.2-179.10000108.8Q45 G52Q45-V54 HydrophobicContact CB-CG1 4.29Å; G52-V54 PolarHBondContact O-N 3.42Å
55C87.8Confident88.3Confident10 Ų1057.5 Ų57.57%0.06833%0.331CS..EExtended strand (participates in β ladder)trans-88.8114.5176.3-176.70000109.3L46 Y53L46-C55 HydrophobicContact CB-CB 4.22Å; L46-C55 HydrophobicContact CD1-CB 4.49Å; L46-C55 PolarHBondContact N-O 3.06Å; L46-C55 PolarHBondContact O-N 3.22Å; Y53-C55 HydrophobicContact CD1-CB 4.4Å; Y53-C55 HydrophobicContact CE1-CB 3.77Å
56T91.3Very high88.1Confident33 Ų3354.4 Ų54.420%0.20232%0.322CS..EExtended strand (participates in β ladder)trans-96.8120.7169-57.50000108.8L43 K44 Q45L43-T56 HydrophobicContact CB-CG2 4.1Å; L43-T56 HydrophobicContact CD1-CG2 4Å; K44-T56 CarbonylContact O-C 3.58Å; K44-T56 WeakPolarHBondContact O-CA 3.2Å; Q45-T56 HydrophobicContact CG-CG2 4.31Å
57T92.8Very high87.9Confident0 Ų055.5 Ų55.50%033%0.328CS..EExtended strand (participates in β ladder)trans-147.2156.4-174.1-171.30000112.8K44 L46 Q59 A62 V63 E387K44-T57 PolarHBondContact N-O 2.85Å; K44-T57 PolarHBondContact O-N 3.23Å; L46-T57 HydrophobicContact CD1-CG2 3.55Å; L46-T57 HydrophobicContact CG-CG2 4.45Å; T57-Q59 PolarHBondContact OG1-N 2.72Å; T57-Q59 VanDerWaalsContact OG1-N 3.08Å; T57-A62 HydrophobicContact CG2-CB 3.72Å; T57-A62 WeakPolarHBondContact OG1-CB 3.32Å; T57-V63 HydrophobicContact CG2-CG2 3.75Å; T57-E387 WeakPolarHBondContact CB-OE2 3.32Å; T57-E387 VanDerWaalsContact OG1-CD 3.23Å; T57-E387 PolarHBondContact OG1-OE1 2.78Å; T57-E387 PolarHBondContact OG1-OE2 3Å
58S90.9Very high87.8Confident3 Ų355.1 Ų55.12%0.02134%0.34CS..  trans-117.30168.654.30000112A163 E387S58-A163 WeakPolarHBondContact OG-CB 3.38Å; S58-E387 PolarHBondContact N-OE1 2.87Å; S58-E387 PolarHBondContact OG-OE1 3.12Å
59Q92.5Very high88Confident6 Ų653.6 Ų53.63%0.02833%0.333CS..  trans-95.2135.1-170.5-71.417753.400112.4T57 S61 A62 V63 K161 E387T57-Q59 PolarHBondContact OG1-N 2.72Å; T57-Q59 VanDerWaalsContact OG1-N 3.08Å; Q59-S61 PolarHBondContact O-N 2.8Å; Q59-A62 PolarHBondContact O-N 2.91Å; Q59-V63 WeakPolarHBondContact O-CG2 3.27Å; Q59-V63 PolarHBondContact O-N 3.48Å; Q59-K161 HydrophobicContact CG-CD 3.52Å; Q59-E387 WeakPolarHBondContact CG-OE1 3.43Å; Q59-E387 PolarHBondContact NE2-O 3.24Å; Q59-E387 PolarHBondContact NE2-OE1 3.46Å; Q59-E387 VanDerWaalsContact NE2-OE1 3.11Å; Q59-E387 PolarHBondContact NE2-OE2 2.82Å
60S93.6Very high88.2Confident15 Ų1554.5 Ų54.511%0.10532%0.324CS..Hα-helixtrans-56.4-36.3175.346.50000113A62 V63 L64 G92S60-A62 VanDerWaalsContact C-N 3.33Å; S60-A62 PolarHBondContact O-N 2.86Å; S60-V63 PolarHBondContact O-N 2.91Å; S60-L64 VanDerWaalsContact O-CB 3.26Å; S60-L64 WeakPolarHBondContact O-CB 3.43Å; S60-L64 WeakPolarHBondContact O-CG 3.39Å; S60-L64 PolarHBondContact O-N 3.4Å; S60-G92 WeakPolarHBondContact OG-CA 3.33Å
61S92.3Very high88.5Confident36 Ų3647.7 Ų47.725%0.25229%0.29SS..Hα-helixtrans-60.8-41.1-18057.50000112.3Q59 R65Q59-S61 PolarHBondContact O-N 2.8Å; S61-R65 WeakPolarHBondContact O-CB 3.48Å; S61-R65 PolarHBondContact O-N 2.93Å
62A91.8Very high89Confident1 Ų148.2 Ų48.21%0.00829%0.285CS..Hα-helixtrans-80.5-43.817800000111.7T57 Q59 S60 R65 C66T57-A62 HydrophobicContact CG2-CB 3.72Å; T57-A62 WeakPolarHBondContact OG1-CB 3.32Å; Q59-A62 PolarHBondContact O-N 2.91Å; S60-A62 VanDerWaalsContact C-N 3.33Å; S60-A62 PolarHBondContact O-N 2.86Å; A62-R65 PolarHBondContact O-N 3.36Å; A62-C66 PolarHBondContact O-N 2.83Å; A62-C66 PolarHBondContact O-SG 2.89Å; A62-C66 VanDerWaalsContact O-SG 3.42Å
63V93Very high89.5Confident1 Ų145 Ų451%0.00625%0.252CS..Hα-helixtrans-58.3-55.7178.1172.50000110.8I32 L33 K44 T57 Q59 S60 R65 C66 L67I32-V63 HydrophobicContact CG2-CG1 4.38Å; L33-V63 HydrophobicContact CD2-CG1 4.41Å; K44-V63 HydrophobicContact CB-CG2 4.29Å; K44-V63 HydrophobicContact CG-CG2 4.13Å; T57-V63 HydrophobicContact CG2-CG2 3.75Å; Q59-V63 WeakPolarHBondContact O-CG2 3.27Å; Q59-V63 PolarHBondContact O-N 3.48Å; S60-V63 PolarHBondContact O-N 2.91Å; V63-R65 VanDerWaalsContact C-N 3.3Å; V63-R65 PolarHBondContact O-N 2.99Å; V63-C66 PolarHBondContact O-N 3.19Å; V63-L67 HydrophobicContact CG1-CD1 3.58Å; V63-L67 HydrophobicContact CG1-CG 4.23Å; V63-L67 VanDerWaalsContact O-CG 3.27Å; V63-L67 WeakPolarHBondContact O-CG 3.3Å; V63-L67 PolarHBondContact O-N 3.44Å
64L92.4Very high90.1Very high2 Ų239.5 Ų39.51%0.0123%0.231CC..Hα-helixtrans-70-25.2-175.5-67170000113.3L33 S60 L67 T78 V81 Q82 I85L33-L64 HydrophobicContact CD2-CD2 4.16Å; S60-L64 VanDerWaalsContact O-CB 3.26Å; S60-L64 WeakPolarHBondContact O-CB 3.43Å; S60-L64 WeakPolarHBondContact O-CG 3.39Å; S60-L64 PolarHBondContact O-N 3.4Å; L64-L67 HydrophobicContact CD2-CD1 4.31Å; L64-T78 HydrophobicContact CD2-CG2 4.06Å; L64-V81 HydrophobicContact CD1-CB 4.01Å; L64-V81 HydrophobicContact CD1-CG1 3.37Å; L64-Q82 HydrophobicContact CB-CG 4.16Å; L64-Q82 PolarHBondContact O-NE2 3.03Å; L64-I85 HydrophobicContact CD1-CD1 3.82Å
65R89.5Confident90.4Very high178 Ų17841.9 Ų41.967%0.67224%0.24SC*.Hα-helixtrans-73.9-29.7175.6-173.6179.469.5-1802.3112.3S61 A62 V63S61-R65 WeakPolarHBondContact O-CB 3.48Å; S61-R65 PolarHBondContact O-N 2.93Å; A62-R65 PolarHBondContact O-N 3.36Å; V63-R65 VanDerWaalsContact C-N 3.3Å; V63-R65 PolarHBondContact O-N 2.99Å
66C87.1Confident90.7Very high63 Ų6343.9 Ų43.943%0.42625%0.252SS..Hα-helixtrans-94.4-15.2-178.5-67.90000113.5L46 A62 V63 S68L46-C66 HydrophobicContact CB-CB 4.33Å; L46-C66 HydrophobicContact CD1-CB 3.77Å; L46-C66 HydrophobicContact CD2-CB 4.42Å; L46-C66 HydrophobicContact CG-CB 4.4Å; A62-C66 PolarHBondContact O-N 2.83Å; A62-C66 PolarHBondContact O-SG 2.89Å; A62-C66 VanDerWaalsContact O-SG 3.42Å; V63-C66 PolarHBondContact O-N 3.19Å; C66-S68 PolarHBondContact O-N 2.92Å
67L87Confident90.9Very high51 Ų5142.3 Ų42.327%0.26724%0.242SC..  trans-75.5114.6175.7-76.1170000110.5L29 V63 L64 V69L29-L67 HydrophobicContact CD1-CD1 4.2Å; V63-L67 HydrophobicContact CG1-CD1 3.58Å; V63-L67 HydrophobicContact CG1-CG 4.23Å; V63-L67 VanDerWaalsContact O-CG 3.27Å; V63-L67 WeakPolarHBondContact O-CG 3.3Å; V63-L67 PolarHBondContact O-N 3.44Å; L64-L67 HydrophobicContact CD2-CD1 4.31Å; L67-V69 HydrophobicContact CB-CG2 4.48Å; L67-V69 PolarHBondContact O-N 3.47Å
68S85.4Confident91.1Very high122 Ų12242.9 Ų42.985%0.85325%0.246SC*.  trans-81.3109.9169.657.60000109.8C66C66-S68 PolarHBondContact O-N 2.92Å
69V87.9Confident91.3Very high37 Ų3745.1 Ų45.122%0.22427%0.265CS..  trans-108.9123.1179.8178.10000109.1L67 L74 M75 T78L67-V69 HydrophobicContact CB-CG2 4.48Å; L67-V69 PolarHBondContact O-N 3.47Å; V69-L74 HydrophobicContact CG1-CB 3.24Å; V69-L74 HydrophobicContact CG1-CD2 4.26Å; V69-L74 HydrophobicContact CG1-CG 4.41Å; V69-M75 HydrophobicContact CG1-CG 4.18Å; V69-M75 WeakPolarHBondContact O-CG 3.38Å; V69-T78 HydrophobicContact CG2-CG2 3.99Å
70S86.1Confident91.6Very high112 Ų11246.2 Ų46.278%0.78327%0.273SS*.  trans-95.6-32.2178.852.10000113.4
71H89Confident91.8Very high38 Ų3845.6 Ų45.618%0.17627%0.268CS..SBendtrans-72126.6-173.6-167.9-79.5000111.5V22 I73 L74 M75V22-H71 WeakPolarHBondContact CG2-CE1 3.34Å; V22-H71 WeakPolarHBondContact CG2-NE2 3.48Å; H71-I73 VanDerWaalsContact C-N 3.34Å; H71-I73 PolarHBondContact ND1-N 2.65Å; H71-I73 PolarHBondContact O-N 3.39Å; H71-L74 HydrophobicContact CB-CB 4.41Å; H71-L74 HydrophobicContact CB-CD1 4.08Å; H71-L74 PolarHBondContact O-N 2.71Å; H71-M75 PolarHBondContact O-N 3.27Å
72P89.8Confident92Very high58 Ų5847.8 Ų47.838%0.37727%0.274SS..Hα-helixtrans-56.2-40.5-172.8-28.835.3000114.7L74 M75 V76 I567P72-L74 VanDerWaalsContact C-N 3.33Å; P72-L74 PolarHBondContact O-N 3.26Å; P72-M75 WeakPolarHBondContact O-CB 3.38Å; P72-M75 PolarHBondContact O-N 3.44Å; P72-V76 WeakPolarHBondContact O-CG2 3.42Å; P72-V76 PolarHBondContact O-N 2.94Å; P72-I567 HydrophobicContact CB-CD1 4.26Å; P72-I567 HydrophobicContact CG-CD1 4.45Å; P72-I567 HydrophobicContact CG-CG2 4.1Å
73I91.2Very high92.3Very high1 Ų151.4 Ų51.41%0.00529%0.294CS..Hα-helixtrans-59.9-44.6176.6-67176.8000111.4P16 L17 V22 H71 M75 V76 L77 I561 L564 I567P16-I73 HydrophobicContact CB-CD1 3.93Å; P16-I73 HydrophobicContact CG-CD1 4.12Å; L17-I73 HydrophobicContact CD2-CD1 3.85Å; L17-I73 HydrophobicContact CG-CD1 4.15Å; V22-I73 HydrophobicContact CG1-CD1 3.82Å; V22-I73 HydrophobicContact CG1-CG2 4.5Å; V22-I73 HydrophobicContact CG2-CD1 4.46Å; H71-I73 VanDerWaalsContact C-N 3.34Å; H71-I73 PolarHBondContact ND1-N 2.65Å; H71-I73 PolarHBondContact O-N 3.39Å; I73-M75 VanDerWaalsContact C-N 3.34Å; I73-V76 PolarHBondContact O-N 3.08Å; I73-L77 PolarHBondContact O-N 2.83Å; I73-L77 VanDerWaalsContact O-N 3.11Å; I73-I561 HydrophobicContact CG2-CD1 4.05Å; I73-I561 HydrophobicContact CG2-CG1 4.17Å; I73-I561 HydrophobicContact CG2-CG2 3.65Å; I73-L564 HydrophobicContact CD1-CD1 4.4Å; I73-L564 HydrophobicContact CG1-CD1 3.84Å; I73-I567 HydrophobicContact CD1-CD1 4.36Å; I73-I567 HydrophobicContact CG1-CD1 4.15Å
74L92.9Very high92.5Very high12 Ų1251.5 Ų51.56%0.06329%0.294CS..Hα-helixtrans-73.1-31.3179.9-76.466.3000110.3L26 L29 V69 H71 P72 L77 T78L26-L74 HydrophobicContact CD2-CD1 3.95Å; L26-L74 HydrophobicContact CD2-CG 4.19Å; L26-L74 HydrophobicContact CG-CD1 4.02Å; L29-L74 HydrophobicContact CB-CD2 4.49Å; L29-L74 HydrophobicContact CD2-CD2 4.29Å; L29-L74 HydrophobicContact CD2-CG 4.28Å; V69-L74 HydrophobicContact CG1-CB 3.24Å; V69-L74 HydrophobicContact CG1-CD2 4.26Å; V69-L74 HydrophobicContact CG1-CG 4.41Å; H71-L74 HydrophobicContact CB-CB 4.41Å; H71-L74 HydrophobicContact CB-CD1 4.08Å; H71-L74 PolarHBondContact O-N 2.71Å; P72-L74 VanDerWaalsContact C-N 3.33Å; P72-L74 PolarHBondContact O-N 3.26Å; L74-L77 PolarHBondContact O-N 2.95Å; L74-T78 WeakPolarHBondContact O-CB 3.28Å; L74-T78 WeakPolarHBondContact O-CG2 3.34Å; L74-T78 PolarHBondContact O-N 2.94Å; L74-T78 PolarHBondContact O-OG1 2.87Å
75M93.3Very high92.7Very high100 Ų10052.3 Ų52.349%0.49330%0.298SS..Hα-helixtrans-59.8-47.2171.6-69.3-179.566.400111.4V69 H71 P72 I73 L77 T78 A79V69-M75 HydrophobicContact CG1-CG 4.18Å; V69-M75 WeakPolarHBondContact O-CG 3.38Å; H71-M75 PolarHBondContact O-N 3.27Å; P72-M75 WeakPolarHBondContact O-CB 3.38Å; P72-M75 PolarHBondContact O-N 3.44Å; I73-M75 VanDerWaalsContact C-N 3.34Å; M75-L77 VanDerWaalsContact C-N 3.34Å; M75-L77 PolarHBondContact O-N 2.84Å; M75-T78 PolarHBondContact O-N 3.37Å; M75-T78 PolarHBondContact O-OG1 3Å; M75-T78 VanDerWaalsContact O-OG1 3.12Å; M75-A79 WeakPolarHBondContact O-CB 3.3Å; M75-A79 PolarHBondContact O-N 3.23Å
76V94.6Very high93Very high53 Ų5347.7 Ų47.732%0.32129%0.293SS..Hα-helixtrans-59.6-44.7175.9172.80000111.4P72 I73 S80 L560P72-V76 WeakPolarHBondContact O-CG2 3.42Å; P72-V76 PolarHBondContact O-N 2.94Å; I73-V76 PolarHBondContact O-N 3.08Å; V76-S80 WeakPolarHBondContact O-CB 3.41Å; V76-S80 PolarHBondContact O-N 3.45Å; V76-S80 PolarHBondContact O-OG 2.87Å; V76-L560 HydrophobicContact CG1-CD2 3.9Å
77L96.3Very high93.4Very high0 Ų052.6 Ų52.60%030%0.303CS..Hα-helixtrans-61.1-55.2177.8-172.4158.4000111.4L26 L29 I73 L74 M75 A79 S80 V81 C99 I103 I561L26-L77 HydrophobicContact CD2-CD1 4.13Å; L29-L77 HydrophobicContact CD2-CD2 4.07Å; I73-L77 PolarHBondContact O-N 2.83Å; I73-L77 VanDerWaalsContact O-N 3.11Å; L74-L77 PolarHBondContact O-N 2.95Å; M75-L77 VanDerWaalsContact C-N 3.34Å; M75-L77 PolarHBondContact O-N 2.84Å; L77-A79 PolarHBondContact O-N 2.97Å; L77-S80 WeakPolarHBondContact O-CB 3.4Å; L77-S80 PolarHBondContact O-N 3.3Å; L77-V81 HydrophobicContact CD2-CG2 4.17Å; L77-V81 WeakPolarHBondContact O-CG2 3.45Å; L77-V81 PolarHBondContact O-N 3.2Å; L77-C99 HydrophobicContact CD1-CB 4.39Å; L77-I103 HydrophobicContact CD1-CD1 4.11Å; L77-I561 HydrophobicContact CB-CD1 4.03Å; L77-I561 HydrophobicContact CD1-CD1 4.42Å
78T96.3Very high93.9Very high12 Ų1252.3 Ų52.37%0.07430%0.3CS..Hα-helixtrans-62.7-40.5-178.453.60000112.7L29 L64 V69 L74 M75 S80 V81 Q82L29-T78 HydrophobicContact CD2-CG2 4.29Å; L64-T78 HydrophobicContact CD2-CG2 4.06Å; V69-T78 HydrophobicContact CG2-CG2 3.99Å; L74-T78 WeakPolarHBondContact O-CB 3.28Å; L74-T78 WeakPolarHBondContact O-CG2 3.34Å; L74-T78 PolarHBondContact O-N 2.94Å; L74-T78 PolarHBondContact O-OG1 2.87Å; M75-T78 PolarHBondContact O-N 3.37Å; M75-T78 PolarHBondContact O-OG1 3Å; M75-T78 VanDerWaalsContact O-OG1 3.12Å; T78-S80 PolarHBondContact O-N 3.3Å; T78-V81 PolarHBondContact O-N 2.55Å; T78-Q82 WeakPolarHBondContact O-CB 3.33Å; T78-Q82 VanDerWaalsContact O-CG 3.25Å; T78-Q82 WeakPolarHBondContact O-CG 3.47Å; T78-Q82 PolarHBondContact O-N 3.16Å
79A96.2Very high94.3Very high50 Ų5048.3 Ų48.341%0.41327%0.272SS..Hα-helixtrans-62.3-42.1175.300000112.1M75 L77 V81 Q82 N83M75-A79 WeakPolarHBondContact O-CB 3.3Å; M75-A79 PolarHBondContact O-N 3.23Å; L77-A79 PolarHBondContact O-N 2.97Å; A79-V81 PolarHBondContact O-N 2.96Å; A79-Q82 PolarHBondContact O-N 2.92Å; A79-N83 WeakPolarHBondContact O-CB 3.34Å; A79-N83 PolarHBondContact O-N 3.02Å
80S97.6Very high94.7Very high28 Ų2847.8 Ų47.820%0.19627%0.268CS..Hα-helixtrans-61.1-44.5176.4-59.30000111.5V76 L77 T78 N83 H84 T557V76-S80 WeakPolarHBondContact O-CB 3.41Å; V76-S80 PolarHBondContact O-N 3.45Å; V76-S80 PolarHBondContact O-OG 2.87Å; L77-S80 WeakPolarHBondContact O-CB 3.4Å; L77-S80 PolarHBondContact O-N 3.3Å; T78-S80 PolarHBondContact O-N 3.3Å; S80-N83 PolarHBondContact O-N 2.72Å; S80-H84 PolarHBondContact O-N 2.86Å; S80-T557 WeakPolarHBondContact CB-OG1 3.45Å; S80-T557 PolarHBondContact OG-OG1 2.86Å
81V97.8Very high95.2Very high2 Ų243 Ų431%0.01223%0.234CC..Hα-helixtrans-68.7-42177.7-179.80000111.5L64 L77 T78 A79 N83 H84 I85 G92 T95 A96L64-V81 HydrophobicContact CD1-CB 4.01Å; L64-V81 HydrophobicContact CD1-CG1 3.37Å; L77-V81 HydrophobicContact CD2-CG2 4.17Å; L77-V81 WeakPolarHBondContact O-CG2 3.45Å; L77-V81 PolarHBondContact O-N 3.2Å; T78-V81 PolarHBondContact O-N 2.55Å; A79-V81 PolarHBondContact O-N 2.96Å; V81-N83 VanDerWaalsContact C-N 3.28Å; V81-N83 PolarHBondContact O-N 3.29Å; V81-H84 WeakPolarHBondContact O-CB 3.44Å; V81-H84 PolarHBondContact O-N 3.03Å; V81-H84 VanDerWaalsContact O-N 3.15Å; V81-I85 HydrophobicContact CG1-CD1 3.89Å; V81-I85 HydrophobicContact CG1-CG1 4.38Å; V81-I85 WeakPolarHBondContact O-CG1 3.14Å; V81-I85 PolarHBondContact O-N 2.66Å; V81-G92 WeakPolarHBondContact CG1-O 3.48Å; V81-T95 HydrophobicContact CG2-CG2 4.08Å; V81-A96 HydrophobicContact CG1-CB 4.14Å; V81-A96 HydrophobicContact CG2-CB 3.83Å
82Q96.9Very high95.6Very high82 Ų8241.2 Ų41.238%0.38323%0.226SC..Hα-helixtrans-60.8-38.7176.2-76.9174.3-13.900111.5L64 T78 A79 I85 S86L64-Q82 HydrophobicContact CB-CG 4.16Å; L64-Q82 PolarHBondContact O-NE2 3.03Å; T78-Q82 WeakPolarHBondContact O-CB 3.33Å; T78-Q82 VanDerWaalsContact O-CG 3.25Å; T78-Q82 WeakPolarHBondContact O-CG 3.47Å; T78-Q82 PolarHBondContact O-N 3.16Å; A79-Q82 PolarHBondContact O-N 2.92Å; Q82-I85 PolarHBondContact O-N 3.04Å; Q82-S86 PolarHBondContact O-N 3.1Å
83N97.3Very high95.9Very high78 Ų7839.3 Ų39.342%0.41721%0.212SC..Hα-helixtrans-68.2-34.5174.5-179.569.3000112.8A79 S80 V81 S86 R87A79-N83 WeakPolarHBondContact O-CB 3.34Å; A79-N83 PolarHBondContact O-N 3.02Å; S80-N83 PolarHBondContact O-N 2.72Å; V81-N83 VanDerWaalsContact C-N 3.28Å; V81-N83 PolarHBondContact O-N 3.29Å; N83-S86 PolarHBondContact O-OG 2.71Å; N83-R87 WeakPolarHBondContact O-CG 3.41Å; N83-R87 PolarHBondContact O-N 3.08Å
84H97.8Very high96.3Very high2 Ų239.5 Ų39.51%0.00921%0.213CC..Hα-helixtrans-63.3-48.3170.1171.373.3000111.1S80 V81 S86 R87 F88 D90 T95 A546 S549 G550 V553S80-H84 PolarHBondContact O-N 2.86Å; V81-H84 WeakPolarHBondContact O-CB 3.44Å; V81-H84 PolarHBondContact O-N 3.03Å; V81-H84 VanDerWaalsContact O-N 3.15Å; H84-S86 VanDerWaalsContact C-N 3.33Å; H84-S86 PolarHBondContact O-N 3.5Å; H84-R87 PolarHBondContact O-N 3.44Å; H84-R87 VanDerWaalsContact O-N 3.14Å; H84-F88 AromaticContact CE1-CD2 3.9Å; H84-F88 AromaticContact ND1-CD2 3.57Å; H84-F88 PolarHBondContact O-N 3.06Å; H84-D90 PolarHBondContact NE2-O 3.17Å; H84-T95 PolarHBondContact CD2-OG1 3.16Å; H84-A546 PolarHBondContact CE1-O 3Å; H84-S549 PolarHBondContact ND1-OG 3.42Å; H84-S549 VanDerWaalsContact ND1-OG 3.1Å; H84-G550 PolarHBondContact CE1-N 2.98Å; H84-V553 HydrophobicContact CB-CG1 4.41Å; H84-V553 HydrophobicContact CB-CG2 4.36Å
85I96.9Very high96.5Very high19 Ų1939 Ų3910%0.09721%0.21CC..Hα-helixtrans-60.9-40.2179.2-67.5166000111.6L64 V81 Q82 R87 S89L64-I85 HydrophobicContact CD1-CD1 3.82Å; V81-I85 HydrophobicContact CG1-CD1 3.89Å; V81-I85 HydrophobicContact CG1-CG1 4.38Å; V81-I85 WeakPolarHBondContact O-CG1 3.14Å; V81-I85 PolarHBondContact O-N 2.66Å; Q82-I85 PolarHBondContact O-N 3.04Å; I85-R87 PolarHBondContact O-N 3.38Å; I85-S89 WeakPolarHBondContact O-CA 3.39Å; I85-S89 PolarHBondContact O-N 3.21Å
86S96.4Very high96.8Very high82 Ų8234.2 Ų34.257%0.57319%0.187SC*.Hα-helixtrans-66-27.5179.469.80000112.9Q82 N83 H84Q82-S86 PolarHBondContact O-N 3.1Å; N83-S86 PolarHBondContact O-OG 2.71Å; H84-S86 VanDerWaalsContact C-N 3.33Å; H84-S86 PolarHBondContact O-N 3.5Å
87R95.8Very high96.9Very high166 Ų16631.7 Ų31.763%0.62617%0.172SC*.Hα-helixtrans-94.7-30.6-178.4-70.4-175.3177.6-168.2-1.8114.8N83 H84 I85 H397N83-R87 WeakPolarHBondContact O-CG 3.41Å; N83-R87 PolarHBondContact O-N 3.08Å; H84-R87 PolarHBondContact O-N 3.44Å; H84-R87 VanDerWaalsContact O-N 3.14Å; I85-R87 PolarHBondContact O-N 3.38Å; R87-H397 PolarHBondContact O-CE1 3.48Å
88F96.1Very high97.1Very high44 Ų4431.7 Ų31.719%0.19317%0.172CC..Hα-helixtrans-121-12.5-173.2-65.6-88.8000113.8H84 D90 L401 A545 A546 S549H84-F88 AromaticContact CE1-CD2 3.9Å; H84-F88 AromaticContact ND1-CD2 3.57Å; H84-F88 PolarHBondContact O-N 3.06Å; F88-D90 PolarHBondContact O-N 2.97Å; F88-L401 HydrophobicContact CB-CD1 4.35Å; F88-L401 HydrophobicContact CD1-CD1 4.01Å; F88-L401 HydrophobicContact CD1-CD2 4.2Å; F88-A545 HydrophobicContact CE1-CB 4.37Å; F88-A546 HydrophobicContact CB-CB 4.04Å; F88-A546 HydrophobicContact CD1-CB 4.49Å; F88-S549 WeakPolarHBondContact CD2-OG 3.49Å; F88-S549 WeakPolarHBondContact CE2-OG 3.23Å; F88-S549 VanDerWaalsContact CZ-CB 3.46Å; F88-S549 WeakPolarHBondContact CZ-OG 3.29Å
89S94.6Very high97.2Very high38 Ų3831.1 Ų31.127%0.26617%0.168SC..SBendtrans56.1-2.1178.9-59.20000117.9I85 T394 H397I85-S89 WeakPolarHBondContact O-CA 3.39Å; I85-S89 PolarHBondContact O-N 3.21Å; S89-T394 WeakPolarHBondContact O-CG2 3.36Å; S89-T394 PolarHBondContact O-OG1 3.39Å; S89-H397 WeakPolarHBondContact CB-ND1 3.45Å; S89-H397 PolarHBondContact OG-ND1 3.39Å
90D95.8Very high97.2Very high27 Ų2728.8 Ų28.814%0.14415%0.149CC..SBendtrans-133.2179.2177.9-163.616000111.1H84 F88 G92 T394 V398 A546H84-D90 PolarHBondContact NE2-O 3.17Å; F88-D90 PolarHBondContact O-N 2.97Å; D90-G92 PolarHBondContact O-N 3.25Å; D90-T394 HydrophobicContact CB-CG2 3.86Å; D90-V398 HydrophobicContact CB-CG2 4.07Å; D90-A546 HydrophobicContact CB-CB 4.13Å
91C96.8Very high97.2Very high10 Ų1027.6 Ų27.67%0.06814%0.141CC..  trans59.913.1174.8-69.70000116.5F94 T95 A546C91-F94 HydrophobicContact CB-CB 4.46Å; C91-F94 HydrophobicContact CB-CD1 4.35Å; C91-F94 WeakPolarHBondContact O-CB 3.48Å; C91-F94 PolarHBondContact O-N 3.45Å; C91-T95 WeakPolarHBondContact O-CB 3.37Å; C91-T95 PolarHBondContact O-N 2.95Å; C91-T95 PolarHBondContact O-OG1 2.88Å; C91-A546 HydrophobicContact CB-CB 4.21Å
92G97.3Very high97.2Very high1 Ų127.5 Ų27.51%0.0114%0.14CC..Hα-helixtrans-62.8-45.7179.500000114.3S60 V81 D90 T95 A96S60-G92 WeakPolarHBondContact OG-CA 3.33Å; V81-G92 WeakPolarHBondContact CG1-O 3.48Å; D90-G92 PolarHBondContact O-N 3.25Å; G92-T95 PolarHBondContact O-N 2.77Å; G92-A96 WeakPolarHBondContact O-CB 3.27Å; G92-A96 PolarHBondContact O-N 3.1Å
93L97.1Very high97.2Very high18 Ų1823.7 Ų23.79%0.09412%0.122CC..Hα-helixtrans-64.6-43.9175.6-68.7179.9000111.7L33 Y37 T95 A96 I97L33-L93 HydrophobicContact CB-CD2 4.37Å; L33-L93 HydrophobicContact CD2-CD2 3.69Å; Y37-L93 HydrophobicContact CD2-CB 3.55Å; Y37-L93 HydrophobicContact CD2-CD1 4.03Å; Y37-L93 HydrophobicContact CD2-CG 4.45Å; Y37-L93 HydrophobicContact CE2-CB 4.05Å; L93-T95 VanDerWaalsContact C-N 3.33Å; L93-T95 PolarHBondContact O-N 3.38Å; L93-A96 PolarHBondContact O-N 3.38Å; L93-I97 HydrophobicContact CB-CD1 4.35Å; L93-I97 WeakPolarHBondContact O-CB 3.44Å; L93-I97 WeakPolarHBondContact O-CD1 3.37Å; L93-I97 WeakPolarHBondContact O-CG1 3.4Å; L93-I97 PolarHBondContact O-N 3.34Å
94F98.2Very high97Very high6 Ų621.3 Ų21.33%0.02611%0.109CC..Hα-helixtrans-53.1-51.6174.9163.6-97.6000110.9Y37 C91 A96 I97 L98 E416 V459 K547 L551Y37-F94 HydrophobicContact CE2-CB 4.26Å; C91-F94 HydrophobicContact CB-CB 4.46Å; C91-F94 HydrophobicContact CB-CD1 4.35Å; C91-F94 WeakPolarHBondContact O-CB 3.48Å; C91-F94 PolarHBondContact O-N 3.45Å; F94-A96 PolarHBondContact O-N 3.19Å; F94-I97 PolarHBondContact O-N 2.89Å; F94-L98 HydrophobicContact CE1-CD2 4.32Å; F94-L98 HydrophobicContact CE2-CD2 4.32Å; F94-L98 HydrophobicContact CZ-CD2 3.81Å; F94-L98 VanDerWaalsContact O-CB 3.24Å; F94-L98 WeakPolarHBondContact O-CB 3.33Å; F94-L98 PolarHBondContact O-N 3.14Å; F94-E416 HydrophobicContact CD2-CG 4.4Å; F94-E416 VanDerWaalsContact CD2-OE1 3.24Å; F94-E416 WeakPolarHBondContact CD2-OE1 3.46Å; F94-E416 HydrophobicContact CE2-CG 3.81Å; F94-E416 WeakPolarHBondContact CE2-OE1 3.41Å; F94-V459 HydrophobicContact CD2-CG1 3.68Å; F94-V459 HydrophobicContact CE2-CG1 4.25Å; F94-K547 HydrophobicContact CD1-CD 4.25Å; F94-K547 HydrophobicContact CD2-CD 4.4Å; F94-K547 HydrophobicContact CE1-CD 4.16Å; F94-K547 HydrophobicContact CE2-CD 4.37Å; F94-K547 HydrophobicContact CG-CD 4.39Å; F94-K547 HydrophobicContact CZ-CD 4.25Å; F94-L551 HydrophobicContact CE1-CB 4.34Å; F94-L551 HydrophobicContact CZ-CB 4.45Å
95T98.5Very high96.8Very high0 Ų022.1 Ų22.10%011%0.113CC..Hα-helixtrans-58.9-48.6-179.5-56.20000111.6V81 H84 C91 G92 L93 C99 G550 V553 A554V81-T95 HydrophobicContact CG2-CG2 4.08Å; H84-T95 PolarHBondContact CD2-OG1 3.16Å; C91-T95 WeakPolarHBondContact O-CB 3.37Å; C91-T95 PolarHBondContact O-N 2.95Å; C91-T95 PolarHBondContact O-OG1 2.88Å; G92-T95 PolarHBondContact O-N 2.77Å; L93-T95 VanDerWaalsContact C-N 3.33Å; L93-T95 PolarHBondContact O-N 3.38Å; T95-C99 VanDerWaalsContact O-CB 3.28Å; T95-C99 WeakPolarHBondContact O-CB 3.34Å; T95-C99 PolarHBondContact O-N 3.32Å; T95-G550 WeakPolarHBondContact CG2-O 3.4Å; T95-G550 WeakPolarHBondContact OG1-CA 3.48Å; T95-V553 HydrophobicContact CG2-CB 3.97Å; T95-V553 HydrophobicContact CG2-CG1 3.75Å; T95-A554 HydrophobicContact CG2-CB 4.15Å; T95-A554 WeakPolarHBondContact O-CB 3.43Å
96A98.1Very high96.8Very high0 Ų021.4 Ų21.40%011%0.109CC..Hα-helixtrans-68.3-44.3-176.400000112.5L33 V81 G92 L93 F94 C99 C100L33-A96 HydrophobicContact CD1-CB 3.55Å; V81-A96 HydrophobicContact CG1-CB 4.14Å; V81-A96 HydrophobicContact CG2-CB 3.83Å; G92-A96 WeakPolarHBondContact O-CB 3.27Å; G92-A96 PolarHBondContact O-N 3.1Å; L93-A96 PolarHBondContact O-N 3.38Å; F94-A96 PolarHBondContact O-N 3.19Å; A96-C99 PolarHBondContact O-N 3.22Å; A96-C100 PolarHBondContact O-N 3.14Å; A96-C100 PolarHBondContact O-SG 2.88Å; A96-C100 VanDerWaalsContact O-SG 3.37Å
97I98.3Very high96.5Very high0 Ų021.7 Ų21.70%010%0.1CC..Hα-helixtrans-64.5-44.4179-64.6164.7000110.2L33 K34 Y37 L93 F94 C100 S101 V459L33-I97 HydrophobicContact CB-CD1 4.5Å; L33-I97 HydrophobicContact CB-CG1 3.92Å; K34-I97 HydrophobicContact CD-CG2 4.34Å; K34-I97 HydrophobicContact CG-CD1 4.19Å; K34-I97 HydrophobicContact CG-CG1 4.02Å; K34-I97 HydrophobicContact CG-CG2 3.75Å; Y37-I97 HydrophobicContact CD1-CD1 4.27Å; Y37-I97 HydrophobicContact CD2-CD1 3.99Å; Y37-I97 HydrophobicContact CG-CD1 3.76Å; L93-I97 HydrophobicContact CB-CD1 4.35Å; L93-I97 WeakPolarHBondContact O-CB 3.44Å; L93-I97 WeakPolarHBondContact O-CD1 3.37Å; L93-I97 WeakPolarHBondContact O-CG1 3.4Å; L93-I97 PolarHBondContact O-N 3.34Å; F94-I97 PolarHBondContact O-N 2.89Å; I97-C100 PolarHBondContact O-N 3.49Å; I97-S101 WeakPolarHBondContact O-CB 3.49Å; I97-S101 PolarHBondContact O-N 3.08Å; I97-V459 HydrophobicContact CB-CG2 4.34Å; I97-V459 HydrophobicContact CG2-CB 4.49Å; I97-V459 HydrophobicContact CG2-CG2 3.87Å
98L98.6Very high96.2Very high0 Ų022.4 Ų22.40%010%0.103CC..Hα-helixtrans-61.6-45.6177.4-177.356.9000111.1F94 S101 L102 L456 V459 L551 A554F94-L98 HydrophobicContact CE1-CD2 4.32Å; F94-L98 HydrophobicContact CE2-CD2 4.32Å; F94-L98 HydrophobicContact CZ-CD2 3.81Å; F94-L98 VanDerWaalsContact O-CB 3.24Å; F94-L98 WeakPolarHBondContact O-CB 3.33Å; F94-L98 PolarHBondContact O-N 3.14Å; L98-S101 PolarHBondContact O-N 3.42Å; L98-L102 HydrophobicContact CD1-CD1 4.15Å; L98-L102 HydrophobicContact CD1-CG 4.14Å; L98-L102 HydrophobicContact CG-CD1 3.93Å; L98-L102 HydrophobicContact CG-CG 4.39Å; L98-L102 WeakPolarHBondContact O-CB 3.24Å; L98-L102 VanDerWaalsContact O-CG 3.27Å; L98-L102 WeakPolarHBondContact O-CG 3.14Å; L98-L102 PolarHBondContact O-N 3Å; L98-L456 HydrophobicContact CD1-CD2 3.99Å; L98-L456 HydrophobicContact CD1-CG 4.41Å; L98-L456 HydrophobicContact CD2-CD2 4.1Å; L98-V459 HydrophobicContact CB-CG2 3.83Å; L98-V459 HydrophobicContact CD1-CG2 4.13Å; L98-L551 HydrophobicContact CD2-CD1 3.66Å; L98-A554 HydrophobicContact CB-CB 3.91Å; L98-A554 HydrophobicContact CD2-CB 3.85Å; L98-A554 HydrophobicContact CG-CB 3.86Å
99C98.4Very high96Very high1 Ų121.5 Ų21.51%0.00710%0.1CC..Hα-helixtrans-58.7-49.6177.6-172.20000111.7L77 T95 A96 S101 L102 I103 A554L77-C99 HydrophobicContact CD1-CB 4.39Å; T95-C99 VanDerWaalsContact O-CB 3.28Å; T95-C99 WeakPolarHBondContact O-CB 3.34Å; T95-C99 PolarHBondContact O-N 3.32Å; A96-C99 PolarHBondContact O-N 3.22Å; C99-S101 VanDerWaalsContact C-N 3.35Å; C99-S101 PolarHBondContact O-N 2.94Å; C99-L102 PolarHBondContact O-N 3.27Å; C99-I103 WeakPolarHBondContact O-CD1 3.38Å; C99-I103 VanDerWaalsContact O-CG1 3.31Å; C99-I103 WeakPolarHBondContact O-CG1 3.39Å; C99-I103 PolarHBondContact O-N 3.38Å; C99-I103 VanDerWaalsContact O-N 3.12Å; C99-A554 HydrophobicContact CB-CB 4.13Å
100C97.4Very high95.6Very high1 Ų127.4 Ų27.41%0.00713%0.128CC..Hα-helixtrans-59.1-46.6176.8-69.30000111.3A96 I97 L102 I103 E104A96-C100 PolarHBondContact O-N 3.14Å; A96-C100 PolarHBondContact O-SG 2.88Å; A96-C100 VanDerWaalsContact O-SG 3.37Å; I97-C100 PolarHBondContact O-N 3.49Å; C100-L102 VanDerWaalsContact C-N 3.34Å; C100-L102 PolarHBondContact O-N 3.14Å; C100-I103 PolarHBondContact O-N 2.84Å; C100-E104 WeakPolarHBondContact O-CG 3.42Å; C100-E104 PolarHBondContact O-N 3.33Å
101S96.9Very high95.4Very high3 Ų329.1 Ų29.12%0.02114%0.135CC..Hα-helixtrans-64.9-36.7-178.7-167.90000112.8I97 L98 C99 N105 S455I97-S101 WeakPolarHBondContact O-CB 3.49Å; I97-S101 PolarHBondContact O-N 3.08Å; L98-S101 PolarHBondContact O-N 3.42Å; C99-S101 VanDerWaalsContact C-N 3.35Å; C99-S101 PolarHBondContact O-N 2.94Å; S101-N105 VanDerWaalsContact O-CB 3.28Å; S101-N105 WeakPolarHBondContact O-CB 3.31Å; S101-N105 PolarHBondContact O-N 3.49Å; S101-N105 PolarHBondContact O-ND2 3.41Å; S101-N105 VanDerWaalsContact O-ND2 3.13Å; S101-N105 PolarHBondContact OG-ND2 2.93Å; S101-S455 PolarHBondContact O-OG 3.24Å; S101-S455 WeakPolarHBondContact OG-CA 3.37Å
102L98Very high95.1Very high0 Ų031.4 Ų31.40%015%0.154CC..Hα-helixtrans-63.9-47.9175.6-75167000110.8L98 C99 C100 E104 N105 Y106 F452 V555 A558L98-L102 HydrophobicContact CD1-CD1 4.15Å; L98-L102 HydrophobicContact CD1-CG 4.14Å; L98-L102 HydrophobicContact CG-CD1 3.93Å; L98-L102 HydrophobicContact CG-CG 4.39Å; L98-L102 WeakPolarHBondContact O-CB 3.24Å; L98-L102 VanDerWaalsContact O-CG 3.27Å; L98-L102 WeakPolarHBondContact O-CG 3.14Å; L98-L102 PolarHBondContact O-N 3Å; C99-L102 PolarHBondContact O-N 3.27Å; C100-L102 VanDerWaalsContact C-N 3.34Å; C100-L102 PolarHBondContact O-N 3.14Å; L102-E104 PolarHBondContact O-N 3.49Å; L102-N105 PolarHBondContact O-N 2.79Å; L102-Y106 HydrophobicContact CB-CD2 4.21Å; L102-Y106 HydrophobicContact CB-CE2 4.12Å; L102-Y106 HydrophobicContact CD2-CE1 4.39Å; L102-Y106 HydrophobicContact CD2-CE2 3.86Å; L102-Y106 WeakPolarHBondContact O-CB 3.38Å; L102-Y106 VanDerWaalsContact O-CD2 3.24Å; L102-Y106 WeakPolarHBondContact O-CD2 3.4Å; L102-Y106 PolarHBondContact O-N 3.48Å; L102-F452 HydrophobicContact CD2-CD2 3.71Å; L102-F452 HydrophobicContact CD2-CE2 4.32Å; L102-F452 HydrophobicContact CD2-CG 4.37Å; L102-V555 HydrophobicContact CD1-CB 4.42Å; L102-V555 HydrophobicContact CD1-CG2 3.75Å; L102-A558 HydrophobicContact CB-CB 3.84Å; L102-A558 HydrophobicContact CD1-CB 4.28Å
103I96.3Very high94.9Very high2 Ų233.9 Ų33.91%0.0117%0.171CC..Hα-helixtrans-59.4-48.1178.3-64161.1000110.4L17 L26 L77 C99 C100 K107 A558 I561L17-I103 HydrophobicContact CD2-CG2 4.22Å; L26-I103 HydrophobicContact CD1-CG2 3.93Å; L77-I103 HydrophobicContact CD1-CD1 4.11Å; C99-I103 WeakPolarHBondContact O-CD1 3.38Å; C99-I103 VanDerWaalsContact O-CG1 3.31Å; C99-I103 WeakPolarHBondContact O-CG1 3.39Å; C99-I103 PolarHBondContact O-N 3.38Å; C99-I103 VanDerWaalsContact O-N 3.12Å; C100-I103 PolarHBondContact O-N 2.84Å; I103-K107 VanDerWaalsContact O-CB 3.31Å; I103-K107 WeakPolarHBondContact O-CB 3.34Å; I103-K107 PolarHBondContact O-N 3.36Å; I103-A558 HydrophobicContact CG1-CB 3.85Å; I103-I561 HydrophobicContact CD1-CB 4.23Å; I103-I561 HydrophobicContact CD1-CD1 3.67Å; I103-I561 HydrophobicContact CD1-CG2 3.99Å; I103-I561 HydrophobicContact CG1-CG2 4.32Å; I103-I561 HydrophobicContact CG2-CG2 4.44Å
104E93.8Very high94.7Very high27 Ų2736.3 Ų36.313%0.12619%0.189CC..Hα-helixtrans-62-44.6179.4-73.5172.8-173.600112.4C100 L102 R108C100-E104 WeakPolarHBondContact O-CG 3.42Å; C100-E104 PolarHBondContact O-N 3.33Å; L102-E104 PolarHBondContact O-N 3.49Å; E104-R108 WeakPolarHBondContact O-CG 3.5Å
105N94.6Very high94.6Very high19 Ų1937 Ų3710%0.10219%0.194CC..Hα-helixtrans-74.2-37.8-178.5-76.1-39.3000112.5S101 L102 R108 A451 S455S101-N105 VanDerWaalsContact O-CB 3.28Å; S101-N105 WeakPolarHBondContact O-CB 3.31Å; S101-N105 PolarHBondContact O-N 3.49Å; S101-N105 PolarHBondContact O-ND2 3.41Å; S101-N105 VanDerWaalsContact O-ND2 3.13Å; S101-N105 PolarHBondContact OG-ND2 2.93Å; L102-N105 PolarHBondContact O-N 2.79Å; N105-R108 PolarHBondContact O-N 2.84Å; N105-A451 HydrophobicContact CB-CB 4.07Å; N105-S455 PolarHBondContact ND2-OG 3.04Å
106Y95.2Very high94.5Very high5 Ų537.2 Ų37.22%0.0220%0.195CC..Hα-helixtrans-69.3-37.3177.4-70.3-23.9000112.6L102 R108 I109 V116 S120 V448 A451 F452 L562L102-Y106 HydrophobicContact CB-CD2 4.21Å; L102-Y106 HydrophobicContact CB-CE2 4.12Å; L102-Y106 HydrophobicContact CD2-CE1 4.39Å; L102-Y106 HydrophobicContact CD2-CE2 3.86Å; L102-Y106 WeakPolarHBondContact O-CB 3.38Å; L102-Y106 VanDerWaalsContact O-CD2 3.24Å; L102-Y106 WeakPolarHBondContact O-CD2 3.4Å; L102-Y106 PolarHBondContact O-N 3.48Å; Y106-R108 PolarHBondContact O-N 2.92Å; Y106-I109 HydrophobicContact CD1-CD1 4.02Å; Y106-I109 WeakPolarHBondContact O-CB 3.48Å; Y106-I109 PolarHBondContact O-N 3.29Å; Y106-V116 HydrophobicContact CD1-CG1 3.77Å; Y106-V116 HydrophobicContact CD2-CG1 3.97Å; Y106-V116 HydrophobicContact CE1-CG1 4.17Å; Y106-V116 HydrophobicContact CE2-CG1 4.3Å; Y106-V116 HydrophobicContact CG-CG1 3.63Å; Y106-S120 VanDerWaalsContact OH-CB 3.31Å; Y106-S120 WeakPolarHBondContact OH-CB 3.25Å; Y106-S120 PolarHBondContact OH-OG 3.26Å; Y106-V448 HydrophobicContact CD1-CG1 4.45Å; Y106-V448 HydrophobicContact CE1-CG1 3.75Å; Y106-A451 HydrophobicContact CD1-CB 3.97Å; Y106-A451 HydrophobicContact CE1-CB 4.09Å; Y106-F452 WeakPolarHBondContact OH-CD2 3.45Å; Y106-L562 HydrophobicContact CD2-CD1 3.56Å; Y106-L562 HydrophobicContact CE2-CD1 4.42Å; Y106-L562 HydrophobicContact CG-CD1 4.12Å
107K90.1Very high94.4Very high88 Ų8837.9 Ų37.938%0.38320%0.198SC..Hα-helixtrans-59.8-28.2174.9-175.9178.9173.5-176.40112.8L17 I103 I109L17-K107 WeakPolarHBondContact O-CE 3.48Å; L17-K107 PolarHBondContact O-NZ 2.89Å; I103-K107 VanDerWaalsContact O-CB 3.31Å; I103-K107 WeakPolarHBondContact O-CB 3.34Å; I103-K107 PolarHBondContact O-N 3.36Å; K107-I109 PolarHBondContact O-N 2.88Å
108R89.6Confident94.3Very high180 Ų18042.2 Ų42.268%0.67922%0.217SC*.THydrogen-bonded Turntrans-74.8-13.2177.4-66.9171.1-177.5171.8-0.1113.2E104 N105 Y106E104-R108 WeakPolarHBondContact O-CG 3.5Å; N105-R108 PolarHBondContact O-N 2.84Å; Y106-R108 PolarHBondContact O-N 2.92Å
109I91.9Very high94.3Very high25 Ų2542.2 Ų42.213%0.12822%0.217CC..SBendtrans-86.6124.2179.7-54.1177.2000108.7Y106 K107 F111 V448 A451Y106-I109 HydrophobicContact CD1-CD1 4.02Å; Y106-I109 WeakPolarHBondContact O-CB 3.48Å; Y106-I109 PolarHBondContact O-N 3.29Å; K107-I109 PolarHBondContact O-N 2.88Å; I109-F111 HydrophobicContact CG2-CB 4.14Å; I109-F111 HydrophobicContact CG2-CD2 3.12Å; I109-F111 HydrophobicContact CG2-CE2 3.5Å; I109-F111 HydrophobicContact CG2-CG 3.76Å; I109-F111 HydrophobicContact CG2-CZ 4.45Å; I109-F111 PolarHBondContact O-N 3.1Å; I109-V448 HydrophobicContact CD1-CB 4.38Å; I109-V448 HydrophobicContact CD1-CG2 3.86Å; I109-A451 HydrophobicContact CD1-CB 3.69Å; I109-A451 HydrophobicContact CG1-CB 4.47Å
110N87.8Confident94.3Very high162 Ų16242.1 Ų42.187%0.86622%0.217SC*.  trans-8254.5179.9-166.626.6000112.6
111F91Very high94.3Very high64 Ų6447.1 Ų47.128%0.28124%0.238SC..SBendtrans-126159.5175.1-60.1-37.8000110.8I109 S113 V116 Q444 L447I109-F111 HydrophobicContact CG2-CB 4.14Å; I109-F111 HydrophobicContact CG2-CD2 3.12Å; I109-F111 HydrophobicContact CG2-CE2 3.5Å; I109-F111 HydrophobicContact CG2-CG 3.76Å; I109-F111 HydrophobicContact CG2-CZ 4.45Å; I109-F111 PolarHBondContact O-N 3.1Å; F111-S113 PolarHBondContact O-N 2.83Å; F111-V116 HydrophobicContact CB-CG2 4.18Å; F111-Q444 HydrophobicContact CD1-CG 4.11Å; F111-Q444 HydrophobicContact CD2-CB 4.26Å; F111-Q444 HydrophobicContact CD2-CG 3.89Å; F111-Q444 HydrophobicContact CE1-CG 3.93Å; F111-Q444 HydrophobicContact CE2-CB 4.05Å; F111-Q444 HydrophobicContact CE2-CG 3.75Å; F111-Q444 HydrophobicContact CG-CG 4.12Å; F111-Q444 HydrophobicContact CZ-CB 4.44Å; F111-Q444 HydrophobicContact CZ-CG 3.76Å; F111-L447 HydrophobicContact CE2-CB 4.11Å; F111-L447 HydrophobicContact CE2-CD1 3.8Å; F111-L447 HydrophobicContact CZ-CD1 3.67Å
112A90.7Very high94.3Very high58 Ų5849.9 Ų49.948%0.47925%0.251SS..  trans-60.1136.5174.800000111.2C114 T115 V116A112-C114 PolarHBondContact O-N 2.95Å; A112-C114 VanDerWaalsContact O-N 3.13Å; A112-T115 WeakPolarHBondContact O-CB 3.42Å; A112-T115 PolarHBondContact O-N 3.5Å; A112-V116 PolarHBondContact O-N 3.27Å
113S92.3Very high94.3Very high52 Ų5249.9 Ų49.936%0.36425%0.251SS..Hα-helixtrans-51.7-39.3179.9-59.80000112.2F111 T115 V116 I117 L562F111-S113 PolarHBondContact O-N 2.83Å; S113-T115 VanDerWaalsContact C-N 3.32Å; S113-T115 PolarHBondContact O-N 3.25Å; S113-V116 PolarHBondContact O-N 3.31Å; S113-I117 WeakPolarHBondContact O-CB 3.36Å; S113-I117 WeakPolarHBondContact O-CD1 3.47Å; S113-I117 WeakPolarHBondContact O-CG1 3.42Å; S113-I117 PolarHBondContact O-N 3.17Å; S113-L562 WeakPolarHBondContact CB-O 3.26Å; S113-L562 PolarHBondContact OG-O 3.28Å
114C93.4Very high94.4Very high69 Ų6950.3 Ų50.347%0.46625%0.253SS..Hα-helixtrans-60.2-38.1178.867.20000113A112 K118A112-C114 PolarHBondContact O-N 2.95Å; A112-C114 VanDerWaalsContact O-N 3.13Å; C114-K118 WeakPolarHBondContact O-CB 3.25Å; C114-K118 VanDerWaalsContact O-CG 3.26Å; C114-K118 WeakPolarHBondContact O-CG 3.45Å; C114-K118 PolarHBondContact O-N 2.91Å
115T95.1Very high94.6Very high21 Ų2151.9 Ų51.913%0.12927%0.267CS..Hα-helixtrans-69.2-44.2176.3-56.90000110.8A112 S113 I117 K118 I119 C440 Q444A112-T115 WeakPolarHBondContact O-CB 3.42Å; A112-T115 PolarHBondContact O-N 3.5Å; S113-T115 VanDerWaalsContact C-N 3.32Å; S113-T115 PolarHBondContact O-N 3.25Å; T115-I117 PolarHBondContact O-N 2.82Å; T115-K118 PolarHBondContact O-N 3.45Å; T115-I119 HydrophobicContact CG2-CD1 3.97Å; T115-I119 WeakPolarHBondContact O-CG1 3.29Å; T115-I119 PolarHBondContact O-N 3.49Å; T115-I119 VanDerWaalsContact O-N 3.12Å; T115-C440 HydrophobicContact CG2-CB 4.39Å; T115-Q444 HydrophobicContact CG2-CB 4.38Å; T115-Q444 HydrophobicContact CG2-CG 4.4Å
116V96.7Very high94.7Very high4 Ų452.4 Ų52.42%0.02427%0.269CS..Hα-helixtrans-61.2-45.9177.1-179.90000110.6Y106 F111 A112 S113 K118 I119 S120 V448 L562Y106-V116 HydrophobicContact CD1-CG1 3.77Å; Y106-V116 HydrophobicContact CD2-CG1 3.97Å; Y106-V116 HydrophobicContact CE1-CG1 4.17Å; Y106-V116 HydrophobicContact CE2-CG1 4.3Å; Y106-V116 HydrophobicContact CG-CG1 3.63Å; F111-V116 HydrophobicContact CB-CG2 4.18Å; A112-V116 PolarHBondContact O-N 3.27Å; S113-V116 PolarHBondContact O-N 3.31Å; V116-K118 PolarHBondContact O-N 2.66Å; V116-I119 PolarHBondContact O-N 2.97Å; V116-S120 WeakPolarHBondContact O-CB 3.35Å; V116-S120 PolarHBondContact O-N 3.4Å; V116-V448 HydrophobicContact CB-CG2 4.46Å; V116-V448 HydrophobicContact CG1-CG1 4.17Å; V116-V448 HydrophobicContact CG1-CG2 4.29Å; V116-V448 HydrophobicContact CG2-CG2 4.13Å; V116-L562 HydrophobicContact CG1-CD1 4.2Å
117I96.9Very high94.8Very high15 Ų1552.1 Ų52.18%0.07727%0.268CS..Hα-helixtrans-61.6-45178.2-68.6163000111.2S113 T115 I119 S120 K121 N559 L562 D563S113-I117 WeakPolarHBondContact O-CB 3.36Å; S113-I117 WeakPolarHBondContact O-CD1 3.47Å; S113-I117 WeakPolarHBondContact O-CG1 3.42Å; S113-I117 PolarHBondContact O-N 3.17Å; T115-I117 PolarHBondContact O-N 2.82Å; I117-I119 PolarHBondContact O-N 2.92Å; I117-S120 PolarHBondContact O-N 3.04Å; I117-K121 HydrophobicContact CG2-CD 4.13Å; I117-K121 HydrophobicContact CG2-CG 4.44Å; I117-K121 WeakPolarHBondContact O-CB 3.19Å; I117-K121 WeakPolarHBondContact O-CG 3.49Å; I117-K121 PolarHBondContact O-N 3.47Å; I117-N559 WeakPolarHBondContact CD1-O 3.27Å; I117-N559 HydrophobicContact CG1-CB 4.13Å; I117-N559 HydrophobicContact CG2-CB 4.05Å; I117-L562 HydrophobicContact CD1-CB 4.13Å; I117-L562 HydrophobicContact CG1-CB 4.24Å; I117-L562 HydrophobicContact CG1-CD1 4.46Å; I117-D563 HydrophobicContact CD1-CB 3.82Å
118K96.6Very high95.1Very high90 Ų9049 Ų4939%0.39126%0.257SS..Hα-helixtrans-56.6-49.5176.8-78.8173.4179.6-1800111.5C114 T115 V116 H122 D439C114-K118 WeakPolarHBondContact O-CB 3.25Å; C114-K118 VanDerWaalsContact O-CG 3.26Å; C114-K118 WeakPolarHBondContact O-CG 3.45Å; C114-K118 PolarHBondContact O-N 2.91Å; T115-K118 PolarHBondContact O-N 3.45Å; V116-K118 PolarHBondContact O-N 2.66Å; K118-H122 PolarHBondContact O-N 3.07Å; K118-D439 IonicContact NZ-OD2 2.8Å; K118-D439 PolarHBondContact NZ-OD2 3.31Å
119I97.4Very high95.5Very high0 Ų045 Ų450%025%0.249CC..Hα-helixtrans-67.2-44179.6-62.7159.2000110.5T115 V116 I117 K121 H122 L123 I438 C440 Q444 Y445 V448T115-I119 HydrophobicContact CG2-CD1 3.97Å; T115-I119 WeakPolarHBondContact O-CG1 3.29Å; T115-I119 PolarHBondContact O-N 3.49Å; T115-I119 VanDerWaalsContact O-N 3.12Å; V116-I119 PolarHBondContact O-N 2.97Å; I117-I119 PolarHBondContact O-N 2.92Å; I119-K121 VanDerWaalsContact C-N 3.35Å; I119-K121 PolarHBondContact O-N 3.23Å; I119-H122 WeakPolarHBondContact O-CB 3.2Å; I119-H122 PolarHBondContact O-N 3.03Å; I119-H122 VanDerWaalsContact O-N 3.11Å; I119-L123 HydrophobicContact CG2-CD1 3.99Å; I119-L123 HydrophobicContact CG2-CG 4.24Å; I119-L123 WeakPolarHBondContact O-CG 3.49Å; I119-L123 PolarHBondContact O-N 2.9Å; I119-I438 HydrophobicContact CG1-CG2 4.05Å; I119-C440 HydrophobicContact CD1-CB 3.89Å; I119-C440 HydrophobicContact CG1-CB 4.08Å; I119-Q444 HydrophobicContact CD1-CB 4.12Å; I119-Y445 HydrophobicContact CG1-CD2 4.37Å; I119-Y445 HydrophobicContact CG2-CD2 3.74Å; I119-Y445 HydrophobicContact CG2-CE2 4.04Å; I119-Y445 HydrophobicContact CG2-CG 4.38Å; I119-V448 HydrophobicContact CB-CB 4.22Å; I119-V448 HydrophobicContact CB-CG1 3.86Å; I119-V448 HydrophobicContact CD1-CB 4.18Å; I119-V448 HydrophobicContact CD1-CG2 3.93Å; I119-V448 HydrophobicContact CG2-CB 3.8Å; I119-V448 HydrophobicContact CG2-CG1 3.6Å
120S97.9Very high95.7Very high0 Ų044.9 Ų44.90%025%0.247CC..Hα-helixtrans-56.1-45177.6-1770000112.2Y106 V116 I117 H122 L123 L124 V555 N559Y106-S120 VanDerWaalsContact OH-CB 3.31Å; Y106-S120 WeakPolarHBondContact OH-CB 3.25Å; Y106-S120 PolarHBondContact OH-OG 3.26Å; V116-S120 WeakPolarHBondContact O-CB 3.35Å; V116-S120 PolarHBondContact O-N 3.4Å; I117-S120 PolarHBondContact O-N 3.04Å; S120-H122 PolarHBondContact O-N 3.26Å; S120-L123 PolarHBondContact O-N 3.29Å; S120-L124 PolarHBondContact O-N 3.49Å; S120-V555 WeakPolarHBondContact OG-CG1 3.28Å; S120-N559 VanDerWaalsContact CB-OD1 3.24Å; S120-N559 WeakPolarHBondContact CB-OD1 3.22Å; S120-N559 PolarHBondContact OG-OD1 3.21Å
121K97.6Very high96.1Very high105 Ų10537.2 Ų37.246%0.45721%0.206SC..Hα-helixtrans-62.5-41.4174.6-74.8-179.9175.6179.50112.6I117 I119 L124 S125I117-K121 HydrophobicContact CG2-CD 4.13Å; I117-K121 HydrophobicContact CG2-CG 4.44Å; I117-K121 WeakPolarHBondContact O-CB 3.19Å; I117-K121 WeakPolarHBondContact O-CG 3.49Å; I117-K121 PolarHBondContact O-N 3.47Å; I119-K121 VanDerWaalsContact C-N 3.35Å; I119-K121 PolarHBondContact O-N 3.23Å; K121-L124 PolarHBondContact O-N 2.96Å; K121-S125 PolarHBondContact O-N 2.66Å; K121-S125 VanDerWaalsContact O-N 3.09Å
122H97.3Very high96.3Very high62 Ų6239.7 Ų39.729%0.28722%0.217SC..Hα-helixtrans-63.2-43.5175.2174.379.2000111.9K118 I119 S120 L124 S125 L126 I438 Y445K118-H122 PolarHBondContact O-N 3.07Å; I119-H122 WeakPolarHBondContact O-CB 3.2Å; I119-H122 PolarHBondContact O-N 3.03Å; I119-H122 VanDerWaalsContact O-N 3.11Å; S120-H122 PolarHBondContact O-N 3.26Å; H122-L124 VanDerWaalsContact C-N 3.33Å; H122-L124 PolarHBondContact O-N 3.21Å; H122-S125 PolarHBondContact O-N 3.3Å; H122-L126 WeakPolarHBondContact O-CB 3.42Å; H122-L126 PolarHBondContact O-N 2.66Å; H122-I438 HydrophobicContact CB-CD1 4.33Å; H122-Y445 AromaticContact CD2-CE2 3.66Å; H122-Y445 PolarHBondContact CD2-OH 2.9Å
123L98Very high96.5Very high0 Ų039.2 Ų39.20%021%0.21CC..Hα-helixtrans-63.3-38176.9-67.6172.9000112.3I119 S120 L126 C127 V423 V448 A449 F452I119-L123 HydrophobicContact CG2-CD1 3.99Å; I119-L123 HydrophobicContact CG2-CG 4.24Å; I119-L123 WeakPolarHBondContact O-CG 3.49Å; I119-L123 PolarHBondContact O-N 2.9Å; S120-L123 PolarHBondContact O-N 3.29Å; L123-L126 HydrophobicContact CD2-CD2 4.45Å; L123-L126 PolarHBondContact O-N 3.22Å; L123-C127 PolarHBondContact O-N 2.76Å; L123-C127 PolarHBondContact O-SG 2.85Å; L123-V423 HydrophobicContact CD2-CG1 3.74Å; L123-V448 HydrophobicContact CD1-CG1 4.43Å; L123-A449 HydrophobicContact CD1-CB 4.13Å; L123-A449 HydrophobicContact CD2-CB 4.24Å; L123-F452 HydrophobicContact CB-CD2 4.38Å; L123-F452 HydrophobicContact CB-CE2 4.36Å; L123-F452 HydrophobicContact CB-CG 4.48Å; L123-F452 HydrophobicContact CB-CZ 4.48Å; L123-F452 HydrophobicContact CD1-CB 3.83Å; L123-F452 HydrophobicContact CD1-CD2 4.31Å; L123-F452 HydrophobicContact CD1-CG 4.01Å
124L98.4Very high96.3Very high11 Ų1144 Ų446%0.05823%0.227CC..Hα-helixtrans-61.2-46.9173.4173.862.1000111.9S120 K121 H122 L126 C127 T128 L551 Q552 V555 E556S120-L124 PolarHBondContact O-N 3.49Å; K121-L124 PolarHBondContact O-N 2.96Å; H122-L124 VanDerWaalsContact C-N 3.33Å; H122-L124 PolarHBondContact O-N 3.21Å; L124-L126 VanDerWaalsContact C-N 3.34Å; L124-C127 PolarHBondContact O-N 3.43Å; L124-T128 WeakPolarHBondContact O-CB 3.49Å; L124-T128 PolarHBondContact O-N 2.98Å; L124-T128 PolarHBondContact O-OG1 3.21Å; L124-L551 HydrophobicContact CD1-CD2 4.4Å; L124-L551 HydrophobicContact CD1-CG 3.95Å; L124-Q552 HydrophobicContact CD1-CB 4.33Å; L124-Q552 HydrophobicContact CD2-CG 4.26Å; L124-V555 HydrophobicContact CB-CB 4.45Å; L124-V555 HydrophobicContact CB-CG1 3.98Å; L124-V555 HydrophobicContact CD1-CB 4.28Å; L124-V555 HydrophobicContact CD1-CG2 4.25Å; L124-V555 HydrophobicContact CD2-CB 4.07Å; L124-V555 HydrophobicContact CD2-CG1 4.02Å; L124-V555 HydrophobicContact CG-CB 4.5Å; L124-V555 HydrophobicContact CG-CG1 4.45Å; L124-E556 HydrophobicContact CD2-CG 4.09Å
125S97.4Very high96.2Very high59 Ų5944 Ų4441%0.41323%0.232SC..Hα-helixtrans-58.3-49.8174.9-168.10000110.3K121 H122 C127 T128 D129K121-S125 PolarHBondContact O-N 2.66Å; K121-S125 VanDerWaalsContact O-N 3.09Å; H122-S125 PolarHBondContact O-N 3.3Å; S125-C127 VanDerWaalsContact C-N 3.3Å; S125-C127 PolarHBondContact O-N 3.38Å; S125-T128 PolarHBondContact O-N 2.94Å; S125-T128 VanDerWaalsContact O-N 3.15Å; S125-D129 WeakPolarHBondContact O-CB 3.12Å; S125-D129 PolarHBondContact O-N 2.84Å; S125-D129 VanDerWaalsContact O-OD2 3.13Å; S125-D129 PolarHBondContact OG-OD2 3.06Å
126L96.5Very high96Very high30 Ų3043.4 Ų43.416%0.15723%0.228CC..Hα-helixtrans-55.6-42.9179.5179.767000112.5H122 L123 L124 Y130 Y422 K426H122-L126 WeakPolarHBondContact O-CB 3.42Å; H122-L126 PolarHBondContact O-N 2.66Å; L123-L126 HydrophobicContact CD2-CD2 4.45Å; L123-L126 PolarHBondContact O-N 3.22Å; L124-L126 VanDerWaalsContact C-N 3.34Å; L126-Y130 VanDerWaalsContact O-CB 3.3Å; L126-Y130 WeakPolarHBondContact O-CB 3.4Å; L126-Y130 PolarHBondContact O-N 3.27Å; L126-Y422 HydrophobicContact CD1-CE1 4.13Å; L126-Y422 HydrophobicContact CD2-CE1 4.48Å; L126-Y422 HydrophobicContact CG-CE1 3.93Å; L126-K426 HydrophobicContact CD1-CG 4.46Å; L126-K426 HydrophobicContact CD2-CB 4.06Å; L126-K426 HydrophobicContact CD2-CG 4.41Å
127C97.9Very high95.6Very high0 Ų043.7 Ų43.70%023%0.231CC..Hα-helixtrans-69.9-44.7177.3-66.40000112L123 L124 S125 Y130 L131 L419 V423 L551L123-C127 PolarHBondContact O-N 2.76Å; L123-C127 PolarHBondContact O-SG 2.85Å; L124-C127 PolarHBondContact O-N 3.43Å; S125-C127 VanDerWaalsContact C-N 3.3Å; S125-C127 PolarHBondContact O-N 3.38Å; C127-Y130 PolarHBondContact O-N 3.21Å; C127-L131 WeakPolarHBondContact O-CG 3.33Å; C127-L131 PolarHBondContact O-N 3.24Å; C127-L419 HydrophobicContact CB-CD2 4.27Å; C127-V423 VanDerWaalsContact SG-CG2 3.54Å; C127-L551 HydrophobicContact CB-CD2 3.88Å
128T97Very high95.3Very high22 Ų2243 Ų4314%0.13523%0.228CC..Hα-helixtrans-65.6-42.3-177.4-54.10000111.4L124 S125 Y130 L131 K132L124-T128 WeakPolarHBondContact O-CB 3.49Å; L124-T128 PolarHBondContact O-N 2.98Å; L124-T128 PolarHBondContact O-OG1 3.21Å; S125-T128 PolarHBondContact O-N 2.94Å; S125-T128 VanDerWaalsContact O-N 3.15Å; T128-Y130 VanDerWaalsContact C-N 3.33Å; T128-L131 PolarHBondContact O-N 2.69Å; T128-K132 HydrophobicContact CG2-CD 4.36Å; T128-K132 WeakPolarHBondContact O-CG 3.34Å; T128-K132 PolarHBondContact O-N 3.05Å; T128-K132 VanDerWaalsContact O-N 3.16Å
129D96.9Very high95.2Very high97 Ų9741.1 Ų41.152%0.51922%0.218SC..Hα-helixtrans-65.1-39.5176.5-65-27.4000111S125 K132 S133S125-D129 WeakPolarHBondContact O-CB 3.12Å; S125-D129 PolarHBondContact O-N 2.84Å; S125-D129 VanDerWaalsContact O-OD2 3.13Å; S125-D129 PolarHBondContact OG-OD2 3.06Å; D129-K132 PolarHBondContact O-N 3.43Å; D129-S133 PolarHBondContact O-N 3.24Å; D129-S133 VanDerWaalsContact O-N 3.16Å
130Y96.7Very high94.9Very high21 Ų2142.7 Ų42.78%0.08223%0.228CC..Hα-helixtrans-65.5-49176179.3-119.5000112.2L126 C127 T128 K132 S133 C136 G137 H418 L419 Y422L126-Y130 VanDerWaalsContact O-CB 3.3Å; L126-Y130 WeakPolarHBondContact O-CB 3.4Å; L126-Y130 PolarHBondContact O-N 3.27Å; C127-Y130 PolarHBondContact O-N 3.21Å; T128-Y130 VanDerWaalsContact C-N 3.33Å; Y130-K132 PolarHBondContact O-N 3.42Å; Y130-S133 VanDerWaalsContact O-CB 3.24Å; Y130-S133 WeakPolarHBondContact O-CB 3.39Å; Y130-S133 PolarHBondContact O-N 2.9Å; Y130-C136 HydrophobicContact CE1-CB 4.37Å; Y130-C136 HydrophobicContact CE2-CB 4.26Å; Y130-C136 WeakPolarHBondContact O-CB 3.48Å; Y130-G137 PolarHBondContact OH-N 3Å; Y130-H418 AromaticContact CE1-CD2 3.71Å; Y130-H418 AromaticContact CE1-NE2 3.42Å; Y130-H418 WeakPolarHBondContact CE1-NE2 3.23Å; Y130-H418 AromaticContact CZ-NE2 3.5Å; Y130-H418 PolarHBondContact OH-NE2 3.07Å; Y130-L419 HydrophobicContact CD1-CD2 3.93Å; Y130-L419 HydrophobicContact CE1-CD2 4.45Å; Y130-Y422 VanDerWaalsContact CB-CE1 3.49Å; Y130-Y422 AromaticContact CD1-CD1 3.64Å; Y130-Y422 HydrophobicContact CD1-CD1 3.64Å; Y130-Y422 HydrophobicContact CD1-CD2 4.03Å; Y130-Y422 AromaticContact CD1-CE1 3.8Å; Y130-Y422 HydrophobicContact CD1-CE1 3.8Å; Y130-Y422 HydrophobicContact CD1-CE2 4.2Å; Y130-Y422 AromaticContact CD1-CG 3.75Å; Y130-Y422 HydrophobicContact CD1-CG 3.75Å; Y130-Y422 HydrophobicContact CD2-CD2 4.02Å; Y130-Y422 HydrophobicContact CD2-CE1 4.11Å; Y130-Y422 AromaticContact CD2-CE2 3.51Å; Y130-Y422 HydrophobicContact CD2-CE2 3.51Å; Y130-Y422 AromaticContact CD2-CZ 3.55Å; Y130-Y422 HydrophobicContact CE1-CD1 4.12Å; Y130-Y422 AromaticContact CE1-CD2 3.84Å; Y130-Y422 HydrophobicContact CE1-CD2 3.84Å; Y130-Y422 HydrophobicContact CE1-CE2 4.32Å; Y130-Y422 AromaticContact CE1-CG 3.73Å; Y130-Y422 HydrophobicContact CE1-CG 3.73Å; Y130-Y422 AromaticContact CE2-CD2 3.84Å; Y130-Y422 HydrophobicContact CE2-CD2 3.84Å; Y130-Y422 AromaticContact CE2-CE2 3.66Å; Y130-Y422 HydrophobicContact CE2-CE2 3.66Å; Y130-Y422 AromaticContact CG-CD1 3.88Å; Y130-Y422 HydrophobicContact CG-CD1 3.88Å; Y130-Y422 HydrophobicContact CG-CD2 4.11Å; Y130-Y422 AromaticContact CG-CE1 3.52Å; Y130-Y422 HydrophobicContact CG-CE1 3.52Å; Y130-Y422 AromaticContact CG-CE2 3.79Å; Y130-Y422 HydrophobicContact CG-CE2 3.79Å; Y130-Y422 HydrophobicContact CG-CG 4.15Å; Y130-Y422 AromaticContact CG-CZ 3.48Å; Y130-Y422 VanDerWaalsContact CG-CZ 3.48Å; Y130-Y422 AromaticContact CZ-CD2 3.74Å
131L96.3Very high94.7Very high1 Ų147.1 Ų47.11%0.00526%0.258CS..Hα-helixtrans-57.9-34.6178.2-71171.6000112.4C127 T128 S133 L409 T415 L419 F544 L551C127-L131 WeakPolarHBondContact O-CG 3.33Å; C127-L131 PolarHBondContact O-N 3.24Å; T128-L131 PolarHBondContact O-N 2.69Å; L131-S133 VanDerWaalsContact C-N 3.33Å; L131-L409 HydrophobicContact CD2-CD1 4.19Å; L131-L409 HydrophobicContact CD2-CD2 3.91Å; L131-T415 HydrophobicContact CD2-CG2 4.31Å; L131-L419 HydrophobicContact CD1-CD1 4.14Å; L131-L419 HydrophobicContact CD2-CD1 4.25Å; L131-L419 HydrophobicContact CD2-CD2 3.95Å; L131-L419 HydrophobicContact CD2-CG 4.34Å; L131-L419 HydrophobicContact CG-CD1 4.46Å; L131-L419 HydrophobicContact CG-CD2 4.04Å; L131-F544 HydrophobicContact CB-CE2 4.2Å; L131-F544 WeakPolarHBondContact O-CE2 3.22Å; L131-L551 HydrophobicContact CD1-CD2 4.14Å
132K94.7Very high94.3Very high116 Ų11642.6 Ų42.650%0.50424%0.24SC..Hα-helixtrans-76.5-17.3176-72.2175.6-179.7-179.80113.8T128 D129 Y130 R139 F544T128-K132 HydrophobicContact CG2-CD 4.36Å; T128-K132 WeakPolarHBondContact O-CG 3.34Å; T128-K132 PolarHBondContact O-N 3.05Å; T128-K132 VanDerWaalsContact O-N 3.16Å; D129-K132 PolarHBondContact O-N 3.43Å; Y130-K132 PolarHBondContact O-N 3.42Å; K132-R139 PolarHBondContact O-NH1 3.31Å; K132-F544 HydrophobicContact CG-CZ 3.94Å
133S94.5Very high93.8Very high48 Ų4844.5 Ų44.534%0.33625%0.252SS..SBendtrans-78.7145.5-178-173.20000112.3D129 Y130 L131 A135 C136 R139D129-S133 PolarHBondContact O-N 3.24Å; D129-S133 VanDerWaalsContact O-N 3.16Å; Y130-S133 VanDerWaalsContact O-CB 3.24Å; Y130-S133 WeakPolarHBondContact O-CB 3.39Å; Y130-S133 PolarHBondContact O-N 2.9Å; L131-S133 VanDerWaalsContact C-N 3.33Å; S133-A135 PolarHBondContact O-N 2.85Å; S133-A135 PolarHBondContact OG-N 2.65Å; S133-C136 WeakPolarHBondContact O-CB 3.47Å; S133-C136 PolarHBondContact O-N 3.03Å; S133-C136 VanDerWaalsContact O-N 3.13Å; S133-R139 WeakPolarHBondContact O-CD 3.31Å
134E89.9Confident93.2Very high154 Ų15448 Ų4872%0.7227%0.267SS*.THydrogen-bonded Turntrans-63.3-15.3168.6-63.7-58.6147.700113.1C136 R139E134-C136 PolarHBondContact O-N 3.3Å; E134-R139 IonicContact OE1-CZ 3.73Å; E134-R139 IonicContact OE1-NE 2.71Å; E134-R139 IonicContact OE1-NH2 2.62Å; E134-R139 PolarHBondContact OE1-NH2 3.32Å; E134-R139 IonicContact OE2-NE 2.71Å
135A89.8Confident92.5Very high69 Ų6950.7 Ų50.757%0.5730%0.298SS*.THydrogen-bonded Turntrans-77.5-8.7175.100000113.3S133 G137S133-A135 PolarHBondContact O-N 2.85Å; S133-A135 PolarHBondContact OG-N 2.65Å; A135-G137 PolarHBondContact O-N 2.83Å
136C91.9Very high91.7Very high8 Ų851.7 Ų51.75%0.05430%0.299CS..  trans-71.8117.7-177.8-171.30000111.9Y130 S133 E134 C138 R139Y130-C136 HydrophobicContact CE1-CB 4.37Å; Y130-C136 HydrophobicContact CE2-CB 4.26Å; Y130-C136 WeakPolarHBondContact O-CB 3.48Å; S133-C136 WeakPolarHBondContact O-CB 3.47Å; S133-C136 PolarHBondContact O-N 3.03Å; S133-C136 VanDerWaalsContact O-N 3.13Å; E134-C136 PolarHBondContact O-N 3.3Å; C136-C138 PolarHBondContact O-N 2.92Å; C136-R139 HydrophobicContact CB-CB 3.83Å; C136-R139 PolarHBondContact O-N 3.45Å
137G88Confident91.4Very high9 Ų954 Ų549%0.09331%0.311CS..THydrogen-bonded Turntrans-66.8-20.7177.900000114.6Y130 A135 C527Y130-G137 PolarHBondContact OH-N 3Å; A135-G137 PolarHBondContact O-N 2.83Å; G137-C527 VanDerWaalsContact O-CB 3.26Å; G137-C527 WeakPolarHBondContact O-CB 3.48Å; G137-C527 PolarHBondContact O-SG 3.17Å
138C90.4Very high91Very high0 Ų058.1 Ų58.10%033%0.33CS..THydrogen-bonded Turntrans-92.9-5.4178-66.40000114.3C136 L409 L410 H418C136-C138 PolarHBondContact O-N 2.92Å; C138-L409 CarbonylContact O-C 3.18Å; C138-L409 VanDerWaalsContact O-CA 3.29Å; C138-L409 WeakPolarHBondContact O-CA 3.46Å; C138-L410 HydrophobicContact CB-CB 4.3Å; C138-L410 HydrophobicContact CB-CD1 4.48Å; C138-L410 HydrophobicContact CB-CG 4.4Å; C138-L410 PolarHBondContact O-N 2.98Å; C138-H418 WeakPolarHBondContact SG-CB 3.31Å; C138-H418 PolarHBondContact SG-CD2 3.24Å
139R93.8Very high90.7Very high52 Ų5258.2 Ų58.220%0.19633%0.331CS..EExtended strand (participates in β ladder)trans-79.7132.9-178.8175.9-171.3168.6110.2-7.2110.3K132 S133 E134 C136 L407K132-R139 PolarHBondContact O-NH1 3.31Å; S133-R139 WeakPolarHBondContact O-CD 3.31Å; E134-R139 IonicContact OE1-CZ 3.73Å; E134-R139 IonicContact OE1-NE 2.71Å; E134-R139 IonicContact OE1-NH2 2.62Å; E134-R139 PolarHBondContact OE1-NH2 3.32Å; E134-R139 IonicContact OE2-NE 2.71Å; C136-R139 HydrophobicContact CB-CB 3.83Å; C136-R139 PolarHBondContact O-N 3.45Å; R139-L407 HydrophobicContact CG-CD2 4.21Å
140V92.6Very high90.5Very high33 Ų3353.6 Ų53.620%0.231%0.306CS..EExtended strand (participates in β ladder)trans-123.1122.4175.7-178.80000108.5L407 A408 L410 L541V140-L407 WeakPolarHBondContact O-CA 3.38Å; V140-A408 HydrophobicContact CB-CB 4.31Å; V140-A408 PolarHBondContact N-O 2.97Å; V140-A408 PolarHBondContact O-N 2.83Å; V140-L410 HydrophobicContact CG2-CD2 3.85Å; V140-L410 HydrophobicContact CG2-CG 4.37Å; V140-L541 HydrophobicContact CB-CD2 4.41Å; V140-L541 HydrophobicContact CG2-CD2 3.98Å
141S92.4Very high90.5Very high92 Ų9254 Ų5464%0.64331%0.31SS*.EExtended strand (participates in β ladder)trans-72.3134173.555.90000110.6
142V90.8Very high90.4Very high10 Ų1054.3 Ų54.36%0.06131%0.311CS..  trans-99.9112.4177.6-1740000109.5T149 L150 L153 T402 P406 A408V142-T149 HydrophobicContact CB-CG2 4.24Å; V142-T149 HydrophobicContact CG1-CG2 3.96Å; V142-T149 HydrophobicContact CG2-CG2 3.8Å; V142-L150 HydrophobicContact CG1-CD2 3.8Å; V142-L153 HydrophobicContact CG2-CD1 4.46Å; V142-T402 HydrophobicContact CB-CG2 3.83Å; V142-T402 HydrophobicContact CG1-CG2 3.73Å; V142-T402 HydrophobicContact CG2-CG2 3.76Å; V142-P406 PolarHBondContact N-O 2.95Å; V142-A408 HydrophobicContact CG2-CB 3.91Å
143D86.8Confident90.4Very high103 Ų10348.8 Ų48.855%0.55129%0.288SS*.  trans-95.1119.6169.4177.815.4000109.9G145 N146D143-G145 PolarHBondContact O-N 3.4Å; D143-G145 PolarHBondContact OD1-N 3.13Å; D143-N146 HydrophobicContact CB-CB 4.49Å; D143-N146 PolarHBondContact O-N 3.26Å
144F84.7Confident90.5Very high72 Ų7246.5 Ų46.532%0.31627%0.272SS..THydrogen-bonded Turntrans-71.1-12.6177.3-71.4-86.1000113.5N146 L150 F182 T402 I403 P406F144-N146 VanDerWaalsContact C-N 3.28Å; F144-L150 HydrophobicContact CD1-CD1 4.08Å; F144-L150 HydrophobicContact CD1-CD2 4.1Å; F144-L150 HydrophobicContact CE1-CD2 3.92Å; F144-F182 HydrophobicContact CE1-CE1 4.22Å; F144-F182 HydrophobicContact CE1-CZ 4.28Å; F144-T402 HydrophobicContact CZ-CG2 3.98Å; F144-T402 WeakPolarHBondContact CZ-O 3.08Å; F144-I403 HydrophobicContact CE1-CG1 4Å; F144-I403 HydrophobicContact CZ-CB 4.38Å; F144-I403 HydrophobicContact CZ-CG1 3.86Å; F144-P406 HydrophobicContact CE2-CB 4.16Å
145G82.8Confident90.8Very high68 Ų6840.8 Ų40.870%0.70124%0.243SC*.THydrogen-bonded Turntrans-71.8-21.7167.100000113.3D143D143-G145 PolarHBondContact O-N 3.4Å; D143-G145 PolarHBondContact OD1-N 3.13Å
146N82.4Confident91.1Very high81 Ų8138 Ų3843%0.43322%0.22SC..  trans-109.6106.2178.1-174.5-5.7000111D143 F144 E148D143-N146 HydrophobicContact CB-CB 4.49Å; D143-N146 PolarHBondContact O-N 3.26Å; F144-N146 VanDerWaalsContact C-N 3.28Å; N146-E148 PolarHBondContact O-N 3.17Å; N146-E148 WeakPolarHBondContact OD1-CB 3.42Å; N146-E148 PolarHBondContact OD1-N 2.99Å
147L88.5Confident91.3Very high79 Ų7937.9 Ų37.941%0.41422%0.219SC..Hα-helixtrans-65.6-19.1-179.4-61.1-178.6000113.4T149 L150 L151 V179 L183L147-T149 VanDerWaalsContact C-N 3.33Å; L147-T149 PolarHBondContact O-N 3.02Å; L147-L150 HydrophobicContact CD2-CD1 4.1Å; L147-L150 PolarHBondContact O-N 3.31Å; L147-L150 VanDerWaalsContact O-N 3.14Å; L147-L151 HydrophobicContact CB-CD1 4.49Å; L147-L151 VanDerWaalsContact O-CG 3.26Å; L147-L151 WeakPolarHBondContact O-CG 3.48Å; L147-L151 PolarHBondContact O-N 3.14Å; L147-V179 HydrophobicContact CD2-CG1 4.25Å; L147-L183 HydrophobicContact CD2-CD1 3.96Å
148E89.8Confident91.7Very high86 Ų8637.6 Ų37.640%0.40222%0.215SC..Hα-helixtrans-59.9-42.2-173.9-169.258.7-151.900112.4N146 L150 L151 C152N146-E148 PolarHBondContact O-N 3.17Å; N146-E148 WeakPolarHBondContact OD1-CB 3.42Å; N146-E148 PolarHBondContact OD1-N 2.99Å; E148-L150 PolarHBondContact O-N 3.3Å; E148-L151 PolarHBondContact O-N 2.72Å; E148-C152 WeakPolarHBondContact O-CB 3.36Å; E148-C152 PolarHBondContact O-N 2.8Å; E148-C152 PolarHBondContact O-SG 2.95Å
149T91.1Very high91.8Very high23 Ų2340.5 Ų40.514%0.14123%0.233CC..Hα-helixtrans-67.1-38.3178.8-52.50000111.6V142 L147 C152 L153 L541V142-T149 HydrophobicContact CB-CG2 4.24Å; V142-T149 HydrophobicContact CG1-CG2 3.96Å; V142-T149 HydrophobicContact CG2-CG2 3.8Å; L147-T149 VanDerWaalsContact C-N 3.33Å; L147-T149 PolarHBondContact O-N 3.02Å; T149-C152 PolarHBondContact O-N 3.06Å; T149-L153 WeakPolarHBondContact O-CG 3.45Å; T149-L153 PolarHBondContact O-N 3.19Å; T149-L541 HydrophobicContact CG2-CD1 3.75Å
150L93.7Very high91.8Very high0 Ų039.4 Ų39.40%023%0.233CC..Hα-helixtrans-66.1-42.1175.7-55.6-178.4000111.2V142 F144 L147 E148 C152 L153 V154 V179 L399V142-L150 HydrophobicContact CG1-CD2 3.8Å; F144-L150 HydrophobicContact CD1-CD1 4.08Å; F144-L150 HydrophobicContact CD1-CD2 4.1Å; F144-L150 HydrophobicContact CE1-CD2 3.92Å; L147-L150 HydrophobicContact CD2-CD1 4.1Å; L147-L150 PolarHBondContact O-N 3.31Å; L147-L150 VanDerWaalsContact O-N 3.14Å; E148-L150 PolarHBondContact O-N 3.3Å; L150-C152 VanDerWaalsContact C-N 3.34Å; L150-L153 PolarHBondContact O-N 2.89Å; L150-V154 WeakPolarHBondContact O-CG2 3.42Å; L150-V154 PolarHBondContact O-N 2.98Å; L150-V154 VanDerWaalsContact O-N 3.08Å; L150-V179 HydrophobicContact CB-CG1 4.41Å; L150-V179 HydrophobicContact CB-CG2 4.13Å; L150-V179 HydrophobicContact CD1-CG1 4.45Å; L150-L399 HydrophobicContact CB-CD2 4.01Å; L150-L399 HydrophobicContact CD2-CD2 3.9Å; L150-L399 HydrophobicContact CG-CD2 4.46Å
151L95.2Very high91.8Very high31 Ų3139 Ų3916%0.16223%0.229CC..Hα-helixtrans-62-42.3174.7-65.8169.4000110.7L147 E148 R155 T175 V179L147-L151 HydrophobicContact CB-CD1 4.49Å; L147-L151 VanDerWaalsContact O-CG 3.26Å; L147-L151 WeakPolarHBondContact O-CG 3.48Å; L147-L151 PolarHBondContact O-N 3.14Å; E148-L151 PolarHBondContact O-N 2.72Å; L151-R155 WeakPolarHBondContact O-CB 3.49Å; L151-R155 PolarHBondContact O-N 3.15Å; L151-T175 HydrophobicContact CB-CG2 3.95Å; L151-T175 HydrophobicContact CD2-CG2 3.65Å; L151-T175 HydrophobicContact CG-CG2 4.41Å; L151-T175 VanDerWaalsContact O-CG2 3.24Å; L151-T175 WeakPolarHBondContact O-CG2 3.26Å; L151-V179 HydrophobicContact CD2-CB 4.29Å; L151-V179 HydrophobicContact CD2-CG2 3.91Å; L151-V179 HydrophobicContact CG-CG2 4.5Å
152C94.4Very high91.7Very high6 Ų636.5 Ų36.54%0.04121%0.21CC..Hα-helixtrans-63.5-43.3177.3-71.20000112.8E148 T149 L150 R155 S156 L541E148-C152 WeakPolarHBondContact O-CB 3.36Å; E148-C152 PolarHBondContact O-N 2.8Å; E148-C152 PolarHBondContact O-SG 2.95Å; T149-C152 PolarHBondContact O-N 3.06Å; L150-C152 VanDerWaalsContact C-N 3.34Å; C152-R155 PolarHBondContact O-N 2.79Å; C152-S156 WeakPolarHBondContact O-CB 3.14Å; C152-S156 PolarHBondContact O-N 3.47Å; C152-S156 PolarHBondContact O-OG 3.3Å; C152-L541 HydrophobicContact CB-CD1 3.83Å; C152-L541 HydrophobicContact CB-CG 4.26Å
153L95.1Very high91.8Very high1 Ų136.1 Ų36.11%0.00521%0.208CC..Hα-helixtrans-59.3-53.1175.8-79.9167.8000111.5V142 T149 L150 R155 S156 V157 V398 T402 A408 L541V142-L153 HydrophobicContact CG2-CD1 4.46Å; T149-L153 WeakPolarHBondContact O-CG 3.45Å; T149-L153 PolarHBondContact O-N 3.19Å; L150-L153 PolarHBondContact O-N 2.89Å; L153-R155 PolarHBondContact O-N 3.43Å; L153-S156 PolarHBondContact O-N 3.45Å; L153-V157 PolarHBondContact O-N 3.01Å; L153-V157 VanDerWaalsContact O-N 3.11Å; L153-V398 HydrophobicContact CB-CG1 4.38Å; L153-V398 HydrophobicContact CD2-CG1 4.3Å; L153-T402 HydrophobicContact CD1-CG2 4.26Å; L153-A408 HydrophobicContact CD2-CB 4.01Å; L153-L541 HydrophobicContact CD2-CB 3.78Å; L153-L541 HydrophobicContact CG-CB 4.22Å; L153-L541 HydrophobicContact CG-CD1 4.34Å
154V97.1Very high92Very high0 Ų031.3 Ų31.30%018%0.182CC..Hα-helixtrans-62.9-43.8179.7172.40000111.3L150 S156 V157 L158 T175 T178 V179 A395 L399L150-V154 WeakPolarHBondContact O-CG2 3.42Å; L150-V154 PolarHBondContact O-N 2.98Å; L150-V154 VanDerWaalsContact O-N 3.08Å; V154-S156 VanDerWaalsContact C-N 3.3Å; V154-S156 PolarHBondContact O-N 2.87Å; V154-V157 PolarHBondContact O-N 3.22Å; V154-L158 HydrophobicContact CG1-CD1 4Å; V154-L158 HydrophobicContact CG1-CG 4.33Å; V154-L158 WeakPolarHBondContact O-CG 3.47Å; V154-L158 PolarHBondContact O-N 2.82Å; V154-T175 HydrophobicContact CB-CG2 4.16Å; V154-T175 HydrophobicContact CG1-CG2 4.12Å; V154-T178 HydrophobicContact CG1-CG2 3.93Å; V154-T178 HydrophobicContact CG2-CG2 3.98Å; V154-V179 HydrophobicContact CG2-CG2 3.97Å; V154-A395 HydrophobicContact CG1-CB 4.07Å; V154-A395 HydrophobicContact CG2-CB 4.42Å; V154-L399 HydrophobicContact CG2-CD1 3.65Å; V154-L399 HydrophobicContact CG2-CD2 3.94Å; V154-L399 HydrophobicContact CG2-CG 3.86Å
155R96.1Very high92.3Very high33 Ų3333.2 Ų33.213%0.12519%0.194CC..Hα-helixtrans-59.8-41.7177.9-174.7178.9-70.8119.9-7.1111.1L151 C152 L153 V157 L158 T159 V171 D172 T175L151-R155 WeakPolarHBondContact O-CB 3.49Å; L151-R155 PolarHBondContact O-N 3.15Å; C152-R155 PolarHBondContact O-N 2.79Å; L153-R155 PolarHBondContact O-N 3.43Å; R155-V157 VanDerWaalsContact C-N 3.35Å; R155-V157 PolarHBondContact O-N 3.07Å; R155-L158 PolarHBondContact O-N 2.75Å; R155-T159 HydrophobicContact CG-CG2 4.03Å; R155-T159 WeakPolarHBondContact O-CB 3.46Å; R155-T159 VanDerWaalsContact O-CG2 3.24Å; R155-T159 WeakPolarHBondContact O-CG2 3.15Å; R155-T159 PolarHBondContact O-N 2.95Å; R155-T159 PolarHBondContact O-OG1 3.29Å; R155-V171 HydrophobicContact CG-CG1 3.79Å; R155-D172 IonicContact CZ-OD1 2.83Å; R155-D172 IonicContact NE-OD1 3.44Å; R155-D172 PolarHBondContact NE-OD1 3.49Å; R155-D172 IonicContact NH2-OD1 3.49Å; R155-D172 PolarHBondContact NH2-OD1 3.16Å; R155-T175 WeakPolarHBondContact CA-OG1 3.11Å; R155-T175 HydrophobicContact CB-CG2 4.18Å
156S95.4Very high92.8Very high11 Ų1131.6 Ų31.68%0.07717%0.169CC..Hα-helixtrans-62.1-42.4177.4-59.90000111.5C152 L153 V154 T159 S160 T540 L541C152-S156 WeakPolarHBondContact O-CB 3.14Å; C152-S156 PolarHBondContact O-N 3.47Å; C152-S156 PolarHBondContact O-OG 3.3Å; L153-S156 PolarHBondContact O-N 3.45Å; V154-S156 VanDerWaalsContact C-N 3.3Å; V154-S156 PolarHBondContact O-N 2.87Å; S156-T159 PolarHBondContact O-OG1 3.28Å; S156-S160 WeakPolarHBondContact O-CB 3.38Å; S156-S160 PolarHBondContact O-N 2.87Å; S156-S160 PolarHBondContact O-OG 3.11Å; S156-S160 VanDerWaalsContact O-OG 3.13Å; S156-T540 WeakPolarHBondContact OG-CA 3.19Å; S156-L541 WeakPolarHBondContact CB-O 3.33Å; S156-L541 PolarHBondContact OG-N 3.47Å; S156-L541 PolarHBondContact OG-O 3.25Å
157V96.4Very high93.3Very high6 Ų631.2 Ų31.24%0.03617%0.167CC..Hα-helixtrans-60.7-50.8173.8174.90000111.2L153 V154 R155 S160 K161 T394 A395 V398L153-V157 PolarHBondContact O-N 3.01Å; L153-V157 VanDerWaalsContact O-N 3.11Å; V154-V157 PolarHBondContact O-N 3.22Å; R155-V157 VanDerWaalsContact C-N 3.35Å; R155-V157 PolarHBondContact O-N 3.07Å; V157-S160 PolarHBondContact O-N 2.82Å; V157-S160 PolarHBondContact O-OG 3.06Å; V157-K161 VanDerWaalsContact O-CG 3.25Å; V157-K161 WeakPolarHBondContact O-CG 3.37Å; V157-T394 HydrophobicContact CG1-CG2 3.69Å; V157-T394 HydrophobicContact CG2-CG2 4.49Å; V157-A395 HydrophobicContact CB-CB 4.18Å; V157-A395 HydrophobicContact CG1-CB 3.94Å; V157-V398 HydrophobicContact CG2-CG2 4.14Å
158L95.9Very high93.5Very high3 Ų333.9 Ų33.92%0.01618%0.175CC..Hα-helixtrans-68-42.3-175.6-65.8178.3000113V154 R155 S160 K161 V171 L174 A391V154-L158 HydrophobicContact CG1-CD1 4Å; V154-L158 HydrophobicContact CG1-CG 4.33Å; V154-L158 WeakPolarHBondContact O-CG 3.47Å; V154-L158 PolarHBondContact O-N 2.82Å; R155-L158 PolarHBondContact O-N 2.75Å; L158-S160 VanDerWaalsContact C-N 3.27Å; L158-S160 PolarHBondContact O-N 2.84Å; L158-K161 PolarHBondContact O-N 3.35Å; L158-V171 HydrophobicContact CB-CG1 4.39Å; L158-L174 HydrophobicContact CD1-CB 3.69Å; L158-A391 HydrophobicContact CD2-CB 4.16Å
159T93.5Very high93.7Very high61 Ų6134.2 Ų34.237%0.37418%0.183SC..Hα-helixtrans-66.8-28.6-179.751.80000112.7R155 S156 K161 V171R155-T159 HydrophobicContact CG-CG2 4.03Å; R155-T159 WeakPolarHBondContact O-CB 3.46Å; R155-T159 VanDerWaalsContact O-CG2 3.24Å; R155-T159 WeakPolarHBondContact O-CG2 3.15Å; R155-T159 PolarHBondContact O-N 2.95Å; R155-T159 PolarHBondContact O-OG1 3.29Å; S156-T159 PolarHBondContact O-OG1 3.28Å; T159-K161 PolarHBondContact O-N 3.43Å; T159-V171 HydrophobicContact CG2-CG1 3.76Å; T159-V171 HydrophobicContact CG2-CG2 4.3Å
160S92.4Very high94Very high28 Ų2833.4 Ų33.420%0.19618%0.178CC..THydrogen-bonded Turntrans-76.28.2176.669.50000114.6S156 V157 L158 P162S156-S160 WeakPolarHBondContact O-CB 3.38Å; S156-S160 PolarHBondContact O-N 2.87Å; S156-S160 PolarHBondContact O-OG 3.11Å; S156-S160 VanDerWaalsContact O-OG 3.13Å; V157-S160 PolarHBondContact O-N 2.82Å; V157-S160 PolarHBondContact O-OG 3.06Å; L158-S160 VanDerWaalsContact C-N 3.27Å; L158-S160 PolarHBondContact O-N 2.84Å; S160-P162 VanDerWaalsContact C-CD 3.5Å; S160-P162 WeakPolarHBondContact O-CD 3.4Å
161K93Very high94.1Very high26 Ų2633.9 Ų33.911%0.11318%0.18CC..  trans-122.171.7-174-56.9-66.5179.6-81.10111.3Q59 V157 L158 T159 A163 C164 A391Q59-K161 HydrophobicContact CG-CD 3.52Å; V157-K161 VanDerWaalsContact O-CG 3.25Å; V157-K161 WeakPolarHBondContact O-CG 3.37Å; L158-K161 PolarHBondContact O-N 3.35Å; T159-K161 PolarHBondContact O-N 3.43Å; K161-A163 PolarHBondContact O-N 3.17Å; K161-A163 VanDerWaalsContact O-N 3.11Å; K161-C164 WeakPolarHBondContact O-CB 3.41Å; K161-C164 PolarHBondContact O-N 2.84Å; K161-A391 HydrophobicContact CB-CB 4.37Å; K161-A391 HydrophobicContact CG-CB 4.09Å
162P91.4Very high94.1Very high38 Ų3834.4 Ų34.425%0.24718%0.184CC..G310 helixtrans-60.1-26.5-174.322.8-33.3000113.6G41 L43 S160 C164 M165G41-P162 WeakPolarHBondContact O-CG 3.14Å; L43-P162 HydrophobicContact CD2-CB 4.09Å; L43-P162 HydrophobicContact CD2-CG 3.93Å; S160-P162 VanDerWaalsContact C-CD 3.5Å; S160-P162 WeakPolarHBondContact O-CD 3.4Å; P162-C164 PolarHBondContact O-N 3.18Å; P162-C164 VanDerWaalsContact O-N 3.16Å; P162-M165 PolarHBondContact O-N 3.42Å
163A91.5Very high94.2Very high2 Ų237 Ų372%0.01720%0.195CC..G310 helixtrans-63.4-17.9175.500000113.6L43 S58 K161 M165 T384 E387L43-A163 HydrophobicContact CD2-CB 3.82Å; S58-A163 WeakPolarHBondContact OG-CB 3.38Å; K161-A163 PolarHBondContact O-N 3.17Å; K161-A163 VanDerWaalsContact O-N 3.11Å; A163-M165 VanDerWaalsContact C-N 3.25Å; A163-M165 PolarHBondContact O-N 3.18Å; A163-T384 WeakPolarHBondContact O-CG2 3.43Å; A163-E387 HydrophobicContact CB-CG 3.61Å; A163-E387 WeakPolarHBondContact CB-OE1 3.41Å
164C91.8Very high94.3Very high2 Ų237 Ų371%0.01420%0.195CC..G310 helixtrans-73.6-17.2173.6-58.90000112.8K161 P162 L166 L388K161-C164 WeakPolarHBondContact O-CB 3.41Å; K161-C164 PolarHBondContact O-N 2.84Å; P162-C164 PolarHBondContact O-N 3.18Å; P162-C164 VanDerWaalsContact O-N 3.16Å; C164-L166 HydrophobicContact CB-CD1 4.01Å; C164-L166 HydrophobicContact CB-CD2 4.42Å; C164-L166 HydrophobicContact CB-CG 3.73Å; C164-L166 PolarHBondContact O-N 2.88Å; C164-L388 HydrophobicContact CB-CD1 4.27Å
165M90.6Very high94.3Very high112 Ų11237 Ų3755%0.55220%0.195SC*.  trans53.437.4179.6-60.5-172.8161.500114.4P162 A163 T384P162-M165 PolarHBondContact O-N 3.42Å; A163-M165 VanDerWaalsContact C-N 3.25Å; A163-M165 PolarHBondContact O-N 3.18Å; M165-T384 HydrophobicContact SD-CG2 4.39Å
166L93.3Very high94.3Very high35 Ų3539.3 Ų39.318%0.18321%0.213CC..  trans-81.6136.1-180-57176.4000110.7C164 E170 V171 L174 V209 L388C164-L166 HydrophobicContact CB-CD1 4.01Å; C164-L166 HydrophobicContact CB-CD2 4.42Å; C164-L166 HydrophobicContact CB-CG 3.73Å; C164-L166 PolarHBondContact O-N 2.88Å; L166-E170 HydrophobicContact CB-CB 4.35Å; L166-E170 HydrophobicContact CD2-CB 4.22Å; L166-V171 HydrophobicContact CB-CG2 3.73Å; L166-V171 HydrophobicContact CD1-CG2 4.12Å; L166-L174 HydrophobicContact CD1-CD1 3.85Å; L166-L174 HydrophobicContact CD2-CD1 4.07Å; L166-V209 HydrophobicContact CD2-CB 4.43Å; L166-V209 HydrophobicContact CD2-CG1 4.09Å; L166-V209 HydrophobicContact CD2-CG2 3.83Å; L166-L388 HydrophobicContact CD1-CD1 3.98Å; L166-L388 HydrophobicContact CD2-CD1 4.16Å; L166-L388 HydrophobicContact CG-CD1 4.48Å
167N93.6Very high94.4Very high73 Ų7339.6 Ų39.639%0.3921%0.213SC..  trans-85.4171.7165.17044.8000111T169 E170 V171N167-T169 VanDerWaalsContact C-N 3.33Å; N167-T169 PolarHBondContact O-N 3.19Å; N167-T169 PolarHBondContact OD1-N 3.23Å; N167-T169 PolarHBondContact OD1-OG1 2.75Å; N167-E170 PolarHBondContact N-OE2 2.77Å; N167-E170 VanDerWaalsContact N-OE2 3.08Å; N167-E170 PolarHBondContact ND2-OE2 3.47Å; N167-E170 PolarHBondContact O-N 2.72Å; N167-E170 VanDerWaalsContact O-N 3.13Å; N167-E170 WeakPolarHBondContact OD1-CG 3.18Å; N167-E170 PolarHBondContact OD1-N 3.13Å; N167-V171 WeakPolarHBondContact O-CG2 3.43Å; N167-V171 PolarHBondContact O-N 3.46Å
168K92.3Very high94.4Very high135 Ų13539.3 Ų39.359%0.58721%0.212SC*.Hα-helixtrans-54.9-44.8-178.5-174.5176.7178.9-179.50113.3E170 V171 D172K168-E170 VanDerWaalsContact C-N 3.29Å; K168-E170 PolarHBondContact O-N 3.21Å; K168-V171 PolarHBondContact O-N 3.38Å; K168-D172 PolarHBondContact O-N 2.85Å
169T94.9Very high94.4Very high93 Ų9339.4 Ų39.457%0.57121%0.212SC*.Hα-helixtrans-65.2-34.8-179.463.30000112.5N167 H173N167-T169 VanDerWaalsContact C-N 3.33Å; N167-T169 PolarHBondContact O-N 3.19Å; N167-T169 PolarHBondContact OD1-N 3.23Å; N167-T169 PolarHBondContact OD1-OG1 2.75Å; T169-H173 WeakPolarHBondContact O-CB 3.2Å; T169-H173 PolarHBondContact O-N 3.04Å
170E96.1Very high94.5Very high6 Ų641.8 Ų41.83%0.02822%0.218CC..Hα-helixtrans-73.5-38.3177.6-70176.2138.500111.9L166 N167 K168 L174 V209 V210 R380L166-E170 HydrophobicContact CB-CB 4.35Å; L166-E170 HydrophobicContact CD2-CB 4.22Å; N167-E170 PolarHBondContact N-OE2 2.77Å; N167-E170 VanDerWaalsContact N-OE2 3.08Å; N167-E170 PolarHBondContact ND2-OE2 3.47Å; N167-E170 PolarHBondContact O-N 2.72Å; N167-E170 VanDerWaalsContact O-N 3.13Å; N167-E170 WeakPolarHBondContact OD1-CG 3.18Å; N167-E170 PolarHBondContact OD1-N 3.13Å; K168-E170 VanDerWaalsContact C-N 3.29Å; K168-E170 PolarHBondContact O-N 3.21Å; E170-L174 WeakPolarHBondContact O-CB 3.12Å; E170-L174 WeakPolarHBondContact O-CG 3.38Å; E170-L174 PolarHBondContact O-N 3.03Å; E170-V209 HydrophobicContact CB-CB 4.17Å; E170-V209 HydrophobicContact CB-CG1 4.08Å; E170-V209 HydrophobicContact CG-CB 3.94Å; E170-V209 HydrophobicContact CG-CG1 4.36Å; E170-V210 HydrophobicContact CG-CG1 3.91Å; E170-R380 IonicContact OE1-CZ 3.61Å; E170-R380 IonicContact OE1-NH2 3.7Å; E170-R380 PolarHBondContact OE1-NH2 3.49Å; E170-R380 IonicContact OE2-CZ 2.86Å; E170-R380 IonicContact OE2-NH2 3.5Å; E170-R380 PolarHBondContact OE2-NH2 3.17Å
171V95.9Very high94.6Very high9 Ų940.5 Ų40.56%0.05521%0.208CC..Hα-helixtrans-59.5-51.9171.4171.60000109.9R155 L158 T159 L166 N167 K168 H173 L174 T175R155-V171 HydrophobicContact CG-CG1 3.79Å; L158-V171 HydrophobicContact CB-CG1 4.39Å; T159-V171 HydrophobicContact CG2-CG1 3.76Å; T159-V171 HydrophobicContact CG2-CG2 4.3Å; L166-V171 HydrophobicContact CB-CG2 3.73Å; L166-V171 HydrophobicContact CD1-CG2 4.12Å; N167-V171 WeakPolarHBondContact O-CG2 3.43Å; N167-V171 PolarHBondContact O-N 3.46Å; K168-V171 PolarHBondContact O-N 3.38Å; V171-H173 VanDerWaalsContact C-N 3.33Å; V171-H173 PolarHBondContact O-N 3.41Å; V171-L174 PolarHBondContact O-N 3.29Å; V171-T175 VanDerWaalsContact O-CB 3.26Å; V171-T175 WeakPolarHBondContact O-CB 3.24Å; V171-T175 PolarHBondContact O-N 2.82Å; V171-T175 PolarHBondContact O-OG1 3.1Å
172D95.2Very high94.7Very high43 Ų4339.3 Ų39.323%0.2320%0.203CC..Hα-helixtrans-62-39.8-178.1-72.7-35.2000112.6R155 K168 T176R155-D172 IonicContact CZ-OD1 2.83Å; R155-D172 IonicContact NE-OD1 3.44Å; R155-D172 PolarHBondContact NE-OD1 3.49Å; R155-D172 IonicContact NH2-OD1 3.49Å; R155-D172 PolarHBondContact NH2-OD1 3.16Å; K168-D172 PolarHBondContact O-N 2.85Å; D172-T176 PolarHBondContact O-N 3.39Å; D172-T176 VanDerWaalsContact O-N 3.1Å; D172-T176 PolarHBondContact O-OG1 2.88Å
173H96.6Very high94.7Very high59 Ų5941.1 Ų41.127%0.27321%0.21SC..Hα-helixtrans-61.9-52.5174.5-177.166.6000111.8T169 V171 T175 T176 L177 V210 S212T169-H173 WeakPolarHBondContact O-CB 3.2Å; T169-H173 PolarHBondContact O-N 3.04Å; V171-H173 VanDerWaalsContact C-N 3.33Å; V171-H173 PolarHBondContact O-N 3.41Å; H173-T175 VanDerWaalsContact C-N 3.34Å; H173-T175 PolarHBondContact O-N 3.11Å; H173-T176 PolarHBondContact O-N 2.79Å; H173-L177 VanDerWaalsContact NE2-CD1 3.34Å; H173-L177 WeakPolarHBondContact NE2-CD1 3.48Å; H173-L177 WeakPolarHBondContact O-CG 3.45Å; H173-L177 PolarHBondContact O-N 3.09Å; H173-V210 PolarHBondContact NE2-O 3.28Å; H173-V210 VanDerWaalsContact NE2-O 3.08Å; H173-S212 PolarHBondContact NE2-O 3.34Å; H173-S212 VanDerWaalsContact NE2-O 3.1Å
174L97.1Very high94.7Very high3 Ų343.8 Ų43.82%0.01622%0.224CC..Hα-helixtrans-63.8-39.8179.2-76.9176.9000112.3L158 L166 E170 V171 T176 L177 T178 V209 L377 L388L158-L174 HydrophobicContact CD1-CB 3.69Å; L166-L174 HydrophobicContact CD1-CD1 3.85Å; L166-L174 HydrophobicContact CD2-CD1 4.07Å; E170-L174 WeakPolarHBondContact O-CB 3.12Å; E170-L174 WeakPolarHBondContact O-CG 3.38Å; E170-L174 PolarHBondContact O-N 3.03Å; V171-L174 PolarHBondContact O-N 3.29Å; L174-T176 VanDerWaalsContact C-N 3.28Å; L174-T176 PolarHBondContact O-N 3.16Å; L174-L177 PolarHBondContact O-N 2.71Å; L174-T178 WeakPolarHBondContact O-CB 3.47Å; L174-T178 PolarHBondContact O-N 3.37Å; L174-T178 PolarHBondContact O-OG1 3.27Å; L174-T178 VanDerWaalsContact O-OG1 3.06Å; L174-V209 HydrophobicContact CD1-CG1 3.37Å; L174-V209 HydrophobicContact CD2-CG1 3.84Å; L174-V209 HydrophobicContact CG-CG1 3.48Å; L174-V209 VanDerWaalsContact CG-CG1 3.48Å; L174-L377 HydrophobicContact CD2-CD1 3.86Å; L174-L388 HydrophobicContact CD1-CD1 3.7Å; L174-L388 HydrophobicContact CD1-CD2 4.35Å
175T97.1Very high94.6Very high0 Ų043.7 Ų43.70%022%0.224CC..Hα-helixtrans-55.5-47.4175.4-71.30000110.7L151 V154 R155 V171 H173 T178 V179L151-T175 HydrophobicContact CB-CG2 3.95Å; L151-T175 HydrophobicContact CD2-CG2 3.65Å; L151-T175 HydrophobicContact CG-CG2 4.41Å; L151-T175 VanDerWaalsContact O-CG2 3.24Å; L151-T175 WeakPolarHBondContact O-CG2 3.26Å; V154-T175 HydrophobicContact CB-CG2 4.16Å; V154-T175 HydrophobicContact CG1-CG2 4.12Å; R155-T175 WeakPolarHBondContact CA-OG1 3.11Å; R155-T175 HydrophobicContact CB-CG2 4.18Å; V171-T175 VanDerWaalsContact O-CB 3.26Å; V171-T175 WeakPolarHBondContact O-CB 3.24Å; V171-T175 PolarHBondContact O-N 2.82Å; V171-T175 PolarHBondContact O-OG1 3.1Å; H173-T175 VanDerWaalsContact C-N 3.34Å; H173-T175 PolarHBondContact O-N 3.11Å; T175-T178 PolarHBondContact O-N 3.16Å; T175-V179 WeakPolarHBondContact O-CG2 3.32Å; T175-V179 PolarHBondContact O-N 3.43Å; T175-V179 VanDerWaalsContact O-N 3.14Å
176T96.4Very high94.5Very high81 Ų8140.5 Ų40.550%0.49721%0.21SC..Hα-helixtrans-64.1-43.2177.6-54.70000111.6D172 H173 L174 K180D172-T176 PolarHBondContact O-N 3.39Å; D172-T176 VanDerWaalsContact O-N 3.1Å; D172-T176 PolarHBondContact O-OG1 2.88Å; H173-T176 PolarHBondContact O-N 2.79Å; L174-T176 VanDerWaalsContact C-N 3.28Å; L174-T176 PolarHBondContact O-N 3.16Å; T176-K180 VanDerWaalsContact O-CB 3.32Å; T176-K180 WeakPolarHBondContact O-CB 3.26Å; T176-K180 PolarHBondContact O-N 2.92Å
177L97.1Very high94Very high16 Ų1640.3 Ų40.38%0.08421%0.211CC..Hα-helixtrans-66.1-42.1178.7-71.2-177.1000112.9H173 L174 K180 A181 S212 V214 L375H173-L177 VanDerWaalsContact NE2-CD1 3.34Å; H173-L177 WeakPolarHBondContact NE2-CD1 3.48Å; H173-L177 WeakPolarHBondContact O-CG 3.45Å; H173-L177 PolarHBondContact O-N 3.09Å; L174-L177 PolarHBondContact O-N 2.71Å; L177-K180 PolarHBondContact O-N 3.29Å; L177-A181 WeakPolarHBondContact O-CB 3.44Å; L177-A181 PolarHBondContact O-N 2.96Å; L177-S212 VanDerWaalsContact CD1-O 3.31Å; L177-S212 WeakPolarHBondContact CD1-O 3.43Å; L177-V214 HydrophobicContact CB-CG2 4.1Å; L177-V214 HydrophobicContact CD2-CG2 4.02Å; L177-L375 HydrophobicContact CB-CD1 4.49Å; L177-L375 HydrophobicContact CD1-CD1 4.42Å
178T97.4Very high93Very high1 Ų147 Ų471%0.00623%0.231CC..Hα-helixtrans-62.7-45.7178.1-630000111V154 L174 T175 K180 A181 F182 Y392 A395 L399V154-T178 HydrophobicContact CG1-CG2 3.93Å; V154-T178 HydrophobicContact CG2-CG2 3.98Å; L174-T178 WeakPolarHBondContact O-CB 3.47Å; L174-T178 PolarHBondContact O-N 3.37Å; L174-T178 PolarHBondContact O-OG1 3.27Å; L174-T178 VanDerWaalsContact O-OG1 3.06Å; T175-T178 PolarHBondContact O-N 3.16Å; T178-K180 VanDerWaalsContact C-N 3.35Å; T178-K180 PolarHBondContact O-N 3.25Å; T178-A181 PolarHBondContact O-N 3.43Å; T178-F182 VanDerWaalsContact O-CB 3.29Å; T178-F182 WeakPolarHBondContact O-CB 3.36Å; T178-F182 PolarHBondContact O-N 2.86Å; T178-Y392 HydrophobicContact CG2-CD2 4.2Å; T178-Y392 HydrophobicContact CG2-CE2 3.83Å; T178-Y392 WeakPolarHBondContact OG1-CD2 3.2Å; T178-Y392 VanDerWaalsContact OG1-CE2 3.26Å; T178-Y392 WeakPolarHBondContact OG1-CE2 3.24Å; T178-A395 HydrophobicContact CG2-CB 4.04Å; T178-L399 HydrophobicContact CG2-CD1 4.13Å
179V95.7Very high91.7Very high5 Ų547.7 Ų47.73%0.0324%0.236CC..Hα-helixtrans-63.2-43175.2174.80000110.5L147 L150 L151 V154 T175 A181 F182 L183 L399L147-V179 HydrophobicContact CD2-CG1 4.25Å; L150-V179 HydrophobicContact CB-CG1 4.41Å; L150-V179 HydrophobicContact CB-CG2 4.13Å; L150-V179 HydrophobicContact CD1-CG1 4.45Å; L151-V179 HydrophobicContact CD2-CB 4.29Å; L151-V179 HydrophobicContact CD2-CG2 3.91Å; L151-V179 HydrophobicContact CG-CG2 4.5Å; V154-V179 HydrophobicContact CG2-CG2 3.97Å; T175-V179 WeakPolarHBondContact O-CG2 3.32Å; T175-V179 PolarHBondContact O-N 3.43Å; T175-V179 VanDerWaalsContact O-N 3.14Å; V179-A181 PolarHBondContact O-N 2.95Å; V179-F182 PolarHBondContact O-N 3.27Å; V179-L183 HydrophobicContact CG1-CD1 4.06Å; V179-L183 HydrophobicContact CG1-CG 4.33Å; V179-L183 VanDerWaalsContact O-CG 3.27Å; V179-L183 WeakPolarHBondContact O-CG 3.42Å; V179-L183 PolarHBondContact O-N 3.07Å; V179-L399 HydrophobicContact CG2-CD1 4.41Å
180K94.7Very high90Very high111 Ų11149.9 Ų49.948%0.48325%0.249SC..Hα-helixtrans-59.8-46.8176.3-176.2-177.3179.9-173.80112.2T176 L177 T178 L183 L184 V214T176-K180 VanDerWaalsContact O-CB 3.32Å; T176-K180 WeakPolarHBondContact O-CB 3.26Å; T176-K180 PolarHBondContact O-N 2.92Å; L177-K180 PolarHBondContact O-N 3.29Å; T178-K180 VanDerWaalsContact C-N 3.35Å; T178-K180 PolarHBondContact O-N 3.25Å; K180-L183 PolarHBondContact O-N 3.49Å; K180-L184 WeakPolarHBondContact O-CG 3.44Å; K180-L184 PolarHBondContact O-N 3.37Å; K180-V214 HydrophobicContact CD-CB 4.48Å
181A95.4Very high88.2Confident0 Ų056.4 Ų56.40%028%0.279CS..Hα-helixtrans-61.6-48.2177.600000110.7L177 T178 V179 L183 L184 T185 V214L177-A181 WeakPolarHBondContact O-CB 3.44Å; L177-A181 PolarHBondContact O-N 2.96Å; T178-A181 PolarHBondContact O-N 3.43Å; V179-A181 PolarHBondContact O-N 2.95Å; A181-L183 VanDerWaalsContact C-N 3.35Å; A181-L183 PolarHBondContact O-N 3.34Å; A181-L184 WeakPolarHBondContact O-CB 3.48Å; A181-L184 PolarHBondContact O-N 3.01Å; A181-T185 PolarHBondContact O-N 2.88Å; A181-V214 HydrophobicContact CB-CG1 4.06Å; A181-V214 HydrophobicContact CB-CG2 3.91Å
182F94Very high86.1Confident1 Ų162.9 Ų62.90%0.00432%0.319CS..Hα-helixtrans-55.3-47.9176.2169-106.2000112.1F144 T178 V179 L184 T185 V186 L399 Q400 I403F144-F182 HydrophobicContact CE1-CE1 4.22Å; F144-F182 HydrophobicContact CE1-CZ 4.28Å; T178-F182 VanDerWaalsContact O-CB 3.29Å; T178-F182 WeakPolarHBondContact O-CB 3.36Å; T178-F182 PolarHBondContact O-N 2.86Å; V179-F182 PolarHBondContact O-N 3.27Å; F182-L184 PolarHBondContact O-N 2.79Å; F182-T185 WeakPolarHBondContact O-CA 3.26Å; F182-T185 WeakPolarHBondContact O-CB 3.22Å; F182-T185 PolarHBondContact O-N 3.23Å; F182-T185 PolarHBondContact O-OG1 3.2Å; F182-V186 HydrophobicContact CD1-CG2 4.35Å; F182-V186 HydrophobicContact CD2-CG2 4.33Å; F182-V186 HydrophobicContact CE1-CG2 3.98Å; F182-V186 HydrophobicContact CE2-CG2 3.95Å; F182-V186 HydrophobicContact CZ-CG2 3.79Å; F182-V186 WeakPolarHBondContact O-CG2 3.45Å; F182-V186 PolarHBondContact O-N 2.6Å; F182-L399 HydrophobicContact CB-CD1 3.61Å; F182-L399 HydrophobicContact CD1-CB 4.06Å; F182-L399 HydrophobicContact CD1-CD1 3.86Å; F182-L399 HydrophobicContact CD1-CG 4.43Å; F182-L399 HydrophobicContact CD2-CB 3.63Å; F182-L399 HydrophobicContact CD2-CD1 4.18Å; F182-L399 HydrophobicContact CE1-CB 4Å; F182-L399 HydrophobicContact CE2-CB 3.56Å; F182-L399 HydrophobicContact CG-CB 3.85Å; F182-L399 HydrophobicContact CG-CD1 3.62Å; F182-L399 HydrophobicContact CG-CG 4.36Å; F182-L399 HydrophobicContact CZ-CB 3.72Å; F182-Q400 HydrophobicContact CD2-CG 4.46Å; F182-Q400 HydrophobicContact CE2-CG 4.16Å; F182-I403 HydrophobicContact CE2-CD1 3.7Å; F182-I403 HydrophobicContact CE2-CG1 4.28Å; F182-I403 HydrophobicContact CZ-CD1 3.46Å; F182-I403 VanDerWaalsContact CZ-CD1 3.46Å; F182-I403 HydrophobicContact CZ-CG1 3.7Å
183L91.6Very high84.3Confident76 Ų7667.4 Ų67.440%0.39834%0.343SS..Hα-helixtrans-61.3-29.7178.2-69.2173.6000113.3L147 V179 K180 A181 T185 V186L147-L183 HydrophobicContact CD2-CD1 3.96Å; V179-L183 HydrophobicContact CG1-CD1 4.06Å; V179-L183 HydrophobicContact CG1-CG 4.33Å; V179-L183 VanDerWaalsContact O-CG 3.27Å; V179-L183 WeakPolarHBondContact O-CG 3.42Å; V179-L183 PolarHBondContact O-N 3.07Å; K180-L183 PolarHBondContact O-N 3.49Å; A181-L183 VanDerWaalsContact C-N 3.35Å; A181-L183 PolarHBondContact O-N 3.34Å; L183-T185 PolarHBondContact O-N 3.31Å; L183-V186 PolarHBondContact O-N 3.23Å
184L91.1Very high82.8Confident59 Ų5967.4 Ų67.431%0.30935%0.349SS..Hα-helixtrans-71.4-20172.8-67.3172.8000112.7K180 A181 F182 V214 L371 C373K180-L184 WeakPolarHBondContact O-CG 3.44Å; K180-L184 PolarHBondContact O-N 3.37Å; A181-L184 WeakPolarHBondContact O-CB 3.48Å; A181-L184 PolarHBondContact O-N 3.01Å; F182-L184 PolarHBondContact O-N 2.79Å; L184-V214 HydrophobicContact CD1-CG1 3.63Å; L184-L371 WeakPolarHBondContact O-CA 3.45Å; L184-C373 HydrophobicContact CB-CB 4.08Å; L184-C373 HydrophobicContact CD1-CB 3.95Å
185T91.1Very high81.8Confident0 Ų072.5 Ų72.50%038%0.38CS..Hα-helixtrans-93.2-9.4177.569.30000113.7A181 F182 L183 G197 C199 L371A181-T185 PolarHBondContact O-N 2.88Å; F182-T185 WeakPolarHBondContact O-CA 3.26Å; F182-T185 WeakPolarHBondContact O-CB 3.22Å; F182-T185 PolarHBondContact O-N 3.23Å; F182-T185 PolarHBondContact O-OG1 3.2Å; L183-T185 PolarHBondContact O-N 3.31Å; T185-G197 PolarHBondContact O-N 2.74Å; T185-C199 HydrophobicContact CG2-CB 4.22Å; T185-L371 WeakPolarHBondContact CA-O 3.49Å
186V88.4Confident81.2Confident45 Ų4574.6 Ų74.627%0.27339%0.39SS..SBendtrans-88.6124.9-179.3177.20000110.3F182 L183 L196 I403F182-V186 HydrophobicContact CD1-CG2 4.35Å; F182-V186 HydrophobicContact CD2-CG2 4.33Å; F182-V186 HydrophobicContact CE1-CG2 3.98Å; F182-V186 HydrophobicContact CE2-CG2 3.95Å; F182-V186 HydrophobicContact CZ-CG2 3.79Å; F182-V186 WeakPolarHBondContact O-CG2 3.45Å; F182-V186 PolarHBondContact O-N 2.6Å; L183-V186 PolarHBondContact O-N 3.23Å; V186-L196 HydrophobicContact CG2-CD2 4.36Å; V186-I403 HydrophobicContact CG2-CD1 3.86Å
187P82.5Confident80.8Confident30 Ų3071.1 Ų71.120%0.19537%0.371CS..  trans-59.5137.5176-16.825000112.6H189 P194 L371P187-H189 VanDerWaalsContact C-N 3.29Å; P187-P194 HydrophobicContact CG-CB 3.85Å; P187-L371 HydrophobicContact CB-CD1 4.15Å; P187-L371 HydrophobicContact CB-CD2 4.28Å; P187-L371 HydrophobicContact CG-CD1 3.6Å; P187-L371 HydrophobicContact CG-CD2 4.33Å
188R71.9Confident80.4Confident214 Ų21473.8 Ų73.881%0.80838%0.382SS*.SBendtrans-73.6-21.2174.6-66.4-179.5-180156.40.8113.3
189H66.3Low80.3Confident149 Ų14974.3 Ų74.369%0.6939%0.385SS*.SBendtrans-111.5127.1179.8-62.3-56.5000109.8P187 E191P187-H189 VanDerWaalsContact C-N 3.29Å; H189-E191 PolarHBondContact O-N 2.72Å; H189-E191 VanDerWaalsContact O-N 3.07Å
190V57.7Low80.2Confident140 Ų14075.1 Ų75.185%0.84839%0.389SS*.  trans-80.488.2178.7-173.20000108
191E59Low80.3Confident142 Ų14271.2 Ų71.266%0.66437%0.373SS*.  trans-71.1160.6160.2-69.7-173.217600109.6H189 N193 P194H189-E191 PolarHBondContact O-N 2.72Å; H189-E191 VanDerWaalsContact O-N 3.07Å; E191-N193 PolarHBondContact O-N 3.02Å; E191-P194 WeakPolarHBondContact O-CD 3.28Å
192T51.1Low80.2Confident145 Ų14571.8 Ų71.889%0.8938%0.377SS*.SBendtrans-60.9-11.7-177.1-25.30000113.5
193N57.2Low80.1Confident138 Ų13874.3 Ų74.374%0.73839%0.393SS*.SBendtrans-150.784.8169.2-77.4-45.9000109.8E191 V195E191-N193 PolarHBondContact O-N 3.02Å; N193-V195 PolarHBondContact O-N 2.83Å; N193-V195 VanDerWaalsContact O-N 3.08Å
194P65.5Low80Confident60 Ų6071 Ų7139%0.3938%0.376SS..  trans-66.2113.9-178.225.5-28.6000109.7P187 E191 L196P187-P194 HydrophobicContact CG-CB 3.85Å; E191-P194 WeakPolarHBondContact O-CD 3.28Å; P194-L196 PolarHBondContact O-N 3.18Å
195V76.4Confident80Confident110 Ų11072.5 Ų72.567%0.66738%0.38SS*.  trans-74.1114.3170.1179.90000107.2N193 L371N193-V195 PolarHBondContact O-N 2.83Å; N193-V195 VanDerWaalsContact O-N 3.08Å; V195-L371 WeakPolarHBondContact O-CD1 3.16Å
196L85Confident79.8Confident43 Ų4374.9 Ų74.923%0.22541%0.405CS..  trans-62.9145.2174.4-60.6179.6000109.8V186 P194 Q400 I403V186-L196 HydrophobicContact CG2-CD2 4.36Å; P194-L196 PolarHBondContact O-N 3.18Å; L196-Q400 HydrophobicContact CD1-CB 3.88Å; L196-Q400 HydrophobicContact CD1-CG 3.7Å; L196-I403 HydrophobicContact CD1-CD1 3.91Å; L196-I403 HydrophobicContact CD2-CD1 3.58Å; L196-I403 HydrophobicContact CG-CD1 4.4Å
197G87Confident80Confident8 Ų878.2 Ų78.28%0.08241%0.413CS..  trans-70.5-163.5169.900000113.5T185 L371T185-G197 PolarHBondContact O-N 2.74Å; G197-L371 CarbonylContact C-O 3.54Å; G197-L371 WeakPolarHBondContact CA-O 3.33Å
198K90Very high80.5Confident73 Ų7383.9 Ų83.932%0.31743%0.43SS..EExtended strand (participates in β ladder)trans-138.1126.5-171.5-167.1165176.3168.90110.8I200 E324 P325 L371 V372 C373K198-I200 HydrophobicContact CD-CD1 3.98Å; K198-I200 HydrophobicContact CG-CD1 3.8Å; K198-E324 IonicContact NZ-OE2 3.94Å; K198-E324 PolarHBondContact NZ-OE2 2.83Å; K198-P325 HydrophobicContact CD-CG 4.24Å; K198-L371 PolarHBondContact N-O 2.91Å; K198-V372 WeakPolarHBondContact O-CA 3.25Å; K198-C373 PolarHBondContact O-N 3.24Å
199C94.3Very high81.6Confident11 Ų1173.8 Ų73.87%0.07439%0.392CS..EExtended strand (participates in β ladder)trans-91.9124.6167.1-174.80000109.9T185 C373 Y392 E396T185-C199 HydrophobicContact CG2-CB 4.22Å; C199-C373 CarbonylContact C-O 3.5Å; C199-C373 WeakPolarHBondContact CA-O 3.47Å; C199-Y392 PolarHBondContact SG-OH 2.92Å; C199-E396 VanDerWaalsContact CB-OE1 3.32Å; C199-E396 WeakPolarHBondContact CB-OE1 3.32Å
200I94.8Very high83Confident23 Ų2369 Ų6912%0.11837%0.373CS..EExtended strand (participates in β ladder)trans-99.8124.3176.1-55.7-59.7000109.8K198 L218 M322 P325 C373 C374 L375K198-I200 HydrophobicContact CD-CD1 3.98Å; K198-I200 HydrophobicContact CG-CD1 3.8Å; I200-L218 HydrophobicContact CB-CD2 4.27Å; I200-L218 HydrophobicContact CG1-CD2 3.74Å; I200-M322 HydrophobicContact CG2-CE 4.15Å; I200-M322 HydrophobicContact CG2-SD 3.82Å; I200-P325 HydrophobicContact CD1-CB 4.32Å; I200-P325 HydrophobicContact CD1-CG 3.7Å; I200-P325 HydrophobicContact CG1-CB 4.35Å; I200-P325 HydrophobicContact CG1-CG 4.24Å; I200-C373 PolarHBondContact N-O 2.97Å; I200-C374 CarbonylContact O-C 3.54Å; I200-C374 VanDerWaalsContact O-CA 3.25Å; I200-C374 WeakPolarHBondContact O-CA 3.02Å; I200-L375 PolarHBondContact O-N 2.83Å
201I95.6Very high84.8Confident29 Ų2964 Ų6415%0.14934%0.342CS..EExtended strand (participates in β ladder)trans-84.4119.7178.4-56.4170.7000109.5L375 L377 W385 K389 Y392 E393I201-L375 CarbonylContact C-O 3.54Å; I201-L375 WeakPolarHBondContact CA-O 3.34Å; I201-L377 HydrophobicContact CG2-CB 3.77Å; I201-L377 HydrophobicContact CG2-CD2 4.04Å; I201-W385 HydrophobicContact CG2-CH2 4.39Å; I201-W385 HydrophobicContact CG2-CZ2 3.99Å; I201-K389 HydrophobicContact CD1-CG 3.8Å; I201-Y392 HydrophobicContact CD1-CD1 3.48Å; I201-Y392 VanDerWaalsContact CD1-CD1 3.48Å; I201-Y392 HydrophobicContact CD1-CE1 3.89Å; I201-Y392 HydrophobicContact CG1-CD1 4Å; I201-Y392 HydrophobicContact CG1-CE1 3.96Å; I201-E393 HydrophobicContact CD1-CG 3.83Å
202V93.6Very high86.5Confident12 Ų1257.3 Ų57.37%0.07331%0.311CS..EExtended strand (participates in β ladder)trans-98116.7173.6-179.70000108.8V204 L219 F362 C374 L375 M376 L377V202-V204 PolarHBondContact O-N 3.08Å; V202-L219 HydrophobicContact CG2-CB 4.18Å; V202-L219 HydrophobicContact CG2-CD1 4.49Å; V202-F362 HydrophobicContact CG1-CE1 3.66Å; V202-F362 HydrophobicContact CG1-CZ 4.08Å; V202-C374 HydrophobicContact CG2-CB 4.19Å; V202-L375 PolarHBondContact N-O 3.17Å; V202-M376 HydrophobicContact CB-CG 4.19Å; V202-M376 HydrophobicContact CG1-CG 4.47Å; V202-L377 PolarHBondContact O-N 3.19Å
203P92.3Very high88.7Confident53 Ų5354.7 Ų54.734%0.34429%0.289SS..EExtended strand (participates in β ladder)trans-74.1123.3-175.828.1-33.5000112.4W385P203-W385 VanDerWaalsContact CA-CZ2 3.47Å; P203-W385 HydrophobicContact CB-CH2 3.64Å; P203-W385 HydrophobicContact CB-CZ2 3.4Å; P203-W385 VanDerWaalsContact CB-CZ2 3.4Å; P203-W385 HydrophobicContact CB-CZ3 4.4Å
204V90.2Very high90.5Very high6 Ų648.8 Ų48.84%0.03626%0.258CS..EExtended strand (participates in β ladder)trans-125.899.6168.6-171.90000110.5V202 R207 F357 M376 L377 C378 N379V202-V204 PolarHBondContact O-N 3.08Å; V204-R207 HydrophobicContact CG1-CB 4.3Å; V204-R207 HydrophobicContact CG1-CG 3.97Å; V204-F357 HydrophobicContact CG1-CD1 3.92Å; V204-F357 HydrophobicContact CG1-CE1 3.75Å; V204-F357 HydrophobicContact CG2-CD1 4.34Å; V204-M376 HydrophobicContact CG2-CE 3.72Å; V204-L377 PolarHBondContact N-O 3.37Å; V204-L377 VanDerWaalsContact N-O 3.14Å; V204-C378 VanDerWaalsContact O-CA 3.28Å; V204-C378 WeakPolarHBondContact O-CA 3.48Å; V204-N379 PolarHBondContact O-N 3.06Å
205K89.9Confident91.8Very high91 Ų9147.2 Ų47.240%0.39625%0.245SC..EExtended strand (participates in β ladder)trans-87.8150.4-178.6-61.6-176.4179-172.10111.3E382 W385K205-E382 HydrophobicContact CB-CG 4.03Å; K205-E382 WeakPolarHBondContact CB-OE1 3.34Å; K205-E382 HydrophobicContact CD-CB 4.03Å; K205-E382 HydrophobicContact CD-CG 3.97Å; K205-E382 HydrophobicContact CG-CG 4.46Å; K205-W385 HydrophobicContact CG-CG 4.26Å
206G88.3Confident92.5Very high51 Ų5145 Ų4553%0.52623%0.233SC..THydrogen-bonded Turntrans79.712.8176.600000115.5N379G206-N379 PolarHBondContact N-O 3.16Å
207R91.8Very high92.8Very high115 Ų11543 Ų4343%0.43422%0.223SC..SBendtrans-119.5158.6178.1-69-60.1-131-1714.4111.5V204 F357 C378 N379 R380V204-R207 HydrophobicContact CG1-CB 4.3Å; V204-R207 HydrophobicContact CG1-CG 3.97Å; R207-F357 HydrophobicContact CG-CE1 4.28Å; R207-C378 HydrophobicContact CB-CB 4.03Å; R207-N379 PolarHBondContact N-O 2.9Å; R207-N379 CarbonylContact O-C 3.58Å; R207-N379 WeakPolarHBondContact O-CA 3.3Å; R207-N379 PolarHBondContact O-N 2.86Å; R207-R380 WeakPolarHBondContact O-CA 3.47Å; R207-R380 PolarHBondContact O-N 2.99Å
208R93.7Very high93.2Very high149 Ų14942.6 Ų42.656%0.56222%0.219SC*.  trans-72.3150.2-176.6-55.5174.9-60.5171.37.3109.5V210 D211 C378R208-V210 HydrophobicContact CB-CG2 3.8Å; R208-V210 PolarHBondContact O-N 3.42Å; R208-D211 WeakPolarHBondContact CB-OD2 3.36Å; R208-D211 IonicContact CZ-OD1 3.93Å; R208-D211 PolarHBondContact N-OD2 3.46Å; R208-D211 VanDerWaalsContact N-OD2 3.14Å; R208-D211 IonicContact NE-OD1 3.61Å; R208-D211 PolarHBondContact NE-OD1 3.36Å; R208-D211 IonicContact NE-OD2 3.71Å; R208-D211 PolarHBondContact NE-OD2 3.39Å; R208-D211 IonicContact NH2-OD1 3.74Å; R208-D211 PolarHBondContact NH2-OD1 3.5Å; R208-D211 WeakPolarHBondContact O-CB 3.41Å; R208-D211 PolarHBondContact O-N 3Å; R208-C378 WeakPolarHBondContact O-CB 3.08Å
209V94.8Very high93.3Very high1 Ų139.4 Ų39.41%0.00621%0.205CC..G310 helixtrans-60.8-35.5-179.6177.40000111.3L166 E170 L174 D211 S212 L388L166-V209 HydrophobicContact CD2-CB 4.43Å; L166-V209 HydrophobicContact CD2-CG1 4.09Å; L166-V209 HydrophobicContact CD2-CG2 3.83Å; E170-V209 HydrophobicContact CB-CB 4.17Å; E170-V209 HydrophobicContact CB-CG1 4.08Å; E170-V209 HydrophobicContact CG-CB 3.94Å; E170-V209 HydrophobicContact CG-CG1 4.36Å; L174-V209 HydrophobicContact CD1-CG1 3.37Å; L174-V209 HydrophobicContact CD2-CG1 3.84Å; L174-V209 HydrophobicContact CG-CG1 3.48Å; L174-V209 VanDerWaalsContact CG-CG1 3.48Å; V209-D211 PolarHBondContact O-N 3.35Å; V209-D211 VanDerWaalsContact O-N 3.17Å; V209-S212 WeakPolarHBondContact O-CB 3.44Å; V209-S212 PolarHBondContact O-N 3.4Å; V209-S212 PolarHBondContact O-OG 2.86Å; V209-L388 HydrophobicContact CG2-CD2 4.25Å
210V95.4Very high93.2Very high50 Ų5039.2 Ų39.230%0.30320%0.203SC..G310 helixtrans-61.4-18.9175.4-62.10000114.3E170 H173 R208 S212E170-V210 HydrophobicContact CG-CG1 3.91Å; H173-V210 PolarHBondContact NE2-O 3.28Å; H173-V210 VanDerWaalsContact NE2-O 3.08Å; R208-V210 HydrophobicContact CB-CG2 3.8Å; R208-V210 PolarHBondContact O-N 3.42Å; V210-S212 VanDerWaalsContact C-N 3.25Å
211D94.5Very high93Very high35 Ų3542.9 Ų42.919%0.18722%0.22CC..G310 helixtrans-83.8-3.5177.5-48.8-39.6000111.6R208 V209 F357R208-D211 WeakPolarHBondContact CB-OD2 3.36Å; R208-D211 IonicContact CZ-OD1 3.93Å; R208-D211 PolarHBondContact N-OD2 3.46Å; R208-D211 VanDerWaalsContact N-OD2 3.14Å; R208-D211 IonicContact NE-OD1 3.61Å; R208-D211 PolarHBondContact NE-OD1 3.36Å; R208-D211 IonicContact NE-OD2 3.71Å; R208-D211 PolarHBondContact NE-OD2 3.39Å; R208-D211 IonicContact NH2-OD1 3.74Å; R208-D211 PolarHBondContact NH2-OD1 3.5Å; R208-D211 WeakPolarHBondContact O-CB 3.41Å; R208-D211 PolarHBondContact O-N 3Å; V209-D211 PolarHBondContact O-N 3.35Å; V209-D211 VanDerWaalsContact O-N 3.17Å; D211-F357 HydrophobicContact CB-CZ 3.95Å; D211-F357 WeakPolarHBondContact O-CZ 3.37Å
212S96.1Very high92.4Very high1 Ų142.3 Ų42.31%0.00722%0.218CC..  trans-63.7146.9176.2-55.20000111.6H173 L177 V209 V210 M376 C378H173-S212 PolarHBondContact NE2-O 3.34Å; H173-S212 VanDerWaalsContact NE2-O 3.1Å; L177-S212 VanDerWaalsContact CD1-O 3.31Å; L177-S212 WeakPolarHBondContact CD1-O 3.43Å; V209-S212 WeakPolarHBondContact O-CB 3.44Å; V209-S212 PolarHBondContact O-N 3.4Å; V209-S212 PolarHBondContact O-OG 2.86Å; V210-S212 VanDerWaalsContact C-N 3.25Å; S212-M376 VanDerWaalsContact CA-O 3.24Å; S212-M376 WeakPolarHBondContact CA-O 3.45Å; S212-M376 WeakPolarHBondContact CB-O 3.48Å; S212-C378 WeakPolarHBondContact OG-CB 3.44Å; S212-C378 PolarHBondContact OG-N 2.81Å
213M95.7Very high91.3Very high90 Ų9047.2 Ų47.244%0.44325%0.25SS..EExtended strand (participates in β ladder)trans-147.4153.2-175.5-67.5-174.8-169.600112.1F215 M376M213-F215 HydrophobicContact CB-CD2 4.31Å; M213-F215 HydrophobicContact CB-CE2 3.53Å; M213-F215 HydrophobicContact CB-CZ 4.06Å; M213-F215 HydrophobicContact SD-CZ 4.17Å; M213-M376 PolarHBondContact N-O 3.45Å; M213-M376 PolarHBondContact O-N 2.75Å
214V95.5Very high89.9Confident13 Ų1348.8 Ų48.88%0.07925%0.253CS..EExtended strand (participates in β ladder)trans-111.2128.4175.8173.80000109.5L177 K180 A181 L184 C374 L375L177-V214 HydrophobicContact CB-CG2 4.1Å; L177-V214 HydrophobicContact CD2-CG2 4.02Å; K180-V214 HydrophobicContact CD-CB 4.48Å; A181-V214 HydrophobicContact CB-CG1 4.06Å; A181-V214 HydrophobicContact CB-CG2 3.91Å; L184-V214 HydrophobicContact CD1-CG1 3.63Å; V214-C374 WeakPolarHBondContact CA-O 3.48Å; V214-L375 HydrophobicContact CG2-CD1 3.55Å
215F93Very high88Confident27 Ų2754 Ų5412%0.11828%0.284CS..EExtended strand (participates in β ladder)trans-116131.1179.3-64.6-97.4000109.8M213 L219 E355 C373 C374 M376M213-F215 HydrophobicContact CB-CD2 4.31Å; M213-F215 HydrophobicContact CB-CE2 3.53Å; M213-F215 HydrophobicContact CB-CZ 4.06Å; M213-F215 HydrophobicContact SD-CZ 4.17Å; F215-L219 HydrophobicContact CB-CD1 4.24Å; F215-L219 HydrophobicContact CB-CG 4.36Å; F215-L219 HydrophobicContact CD1-CD2 4.49Å; F215-L219 HydrophobicContact CD2-CD1 3.6Å; F215-L219 HydrophobicContact CE2-CD1 4.07Å; F215-L219 HydrophobicContact CG-CD1 3.91Å; F215-L219 HydrophobicContact CG-CD2 4.39Å; F215-L219 HydrophobicContact CG-CG 4.39Å; F215-E355 HydrophobicContact CE1-CG 4.43Å; F215-C373 WeakPolarHBondContact O-CA 3.47Å; F215-C373 VanDerWaalsContact O-CB 3.3Å; F215-C373 WeakPolarHBondContact O-CB 3.35Å; F215-C374 PolarHBondContact N-O 3.22Å; F215-C374 PolarHBondContact O-N 2.88Å; F215-M376 HydrophobicContact CD2-CG 4.02Å; F215-M376 HydrophobicContact CD2-SD 3.97Å; F215-M376 HydrophobicContact CE2-CB 4.37Å; F215-M376 HydrophobicContact CE2-CG 3.78Å; F215-M376 HydrophobicContact CE2-SD 3.27Å; F215-M376 WeakPolarHBondContact CE2-SD 3.19Å; F215-M376 HydrophobicContact CZ-SD 3.88Å
216P91.2Very high86Confident65 Ų6556 Ų5642%0.42230%0.296SS..EExtended strand (participates in β ladder)trans-66.2139.5168.829.5-33.1000109.4H364P216-H364 PolarHBondContact O-NE2 2.92Å
217G92.4Very high84.4Confident0 Ų054.9 Ų54.90%028%0.277CS..SBendtrans83.8-154.1-175.700000114.3L365 P367 V372 C373 C374G217-L365 WeakPolarHBondContact CA-O 3.24Å; G217-P367 VanDerWaalsContact CA-CD 3.42Å; G217-V372 VanDerWaalsContact CA-O 3.3Å; G217-V372 WeakPolarHBondContact CA-O 3.4Å; G217-V372 PolarHBondContact N-O 3.4Å; G217-C373 CarbonylContact O-C 3.58Å; G217-C373 WeakPolarHBondContact O-CA 3.39Å; G217-C374 PolarHBondContact O-N 3.42Å; G217-C374 VanDerWaalsContact O-N 3.1Å
218L93.8Very high82.1Confident0 Ų054 Ų540%030%0.295CS..EExtended strand (participates in β ladder)trans-118.5140.6-172.7-70.1175.6000112.4I200 M322 P325 L326 M329 L365 V372I200-L218 HydrophobicContact CB-CD2 4.27Å; I200-L218 HydrophobicContact CG1-CD2 3.74Å; L218-M322 HydrophobicContact CD1-CE 4.49Å; L218-M322 HydrophobicContact CD2-CE 3.99Å; L218-P325 HydrophobicContact CD1-CB 3.93Å; L218-P325 HydrophobicContact CD2-CB 4.2Å; L218-L326 HydrophobicContact CD1-CB 4.48Å; L218-L326 HydrophobicContact CD1-CD2 3.67Å; L218-L326 HydrophobicContact CD1-CG 3.8Å; L218-M329 HydrophobicContact CB-CE 4.26Å; L218-M329 HydrophobicContact CB-SD 4.05Å; L218-M329 HydrophobicContact CD1-CE 3.86Å; L218-M329 HydrophobicContact CD1-SD 3.89Å; L218-M329 HydrophobicContact CG-CE 4.22Å; L218-M329 HydrophobicContact CG-SD 3.73Å; L218-L365 HydrophobicContact CB-CB 4.41Å; L218-L365 PolarHBondContact N-O 3.3Å; L218-L365 VanDerWaalsContact N-O 3.12Å; L218-L365 PolarHBondContact O-N 2.9Å; L218-V372 HydrophobicContact CD1-CG1 4.34Å; L218-V372 HydrophobicContact CD2-CG1 3.46Å; L218-V372 VanDerWaalsContact CD2-CG1 3.46Å; L218-V372 HydrophobicContact CG-CG1 3.78Å
219L93.2Very high80.4Confident6 Ų654.9 Ų54.93%0.03130%0.303CS..EExtended strand (participates in β ladder)trans-107.1121.5171.3-65.8173.9000109.3V202 F215 F362 H364 C374 M376V202-L219 HydrophobicContact CG2-CB 4.18Å; V202-L219 HydrophobicContact CG2-CD1 4.49Å; F215-L219 HydrophobicContact CB-CD1 4.24Å; F215-L219 HydrophobicContact CB-CG 4.36Å; F215-L219 HydrophobicContact CD1-CD2 4.49Å; F215-L219 HydrophobicContact CD2-CD1 3.6Å; F215-L219 HydrophobicContact CE2-CD1 4.07Å; F215-L219 HydrophobicContact CG-CD1 3.91Å; F215-L219 HydrophobicContact CG-CD2 4.39Å; F215-L219 HydrophobicContact CG-CG 4.39Å; L219-F362 HydrophobicContact CB-CB 4.49Å; L219-F362 HydrophobicContact CB-CD1 4.26Å; L219-F362 HydrophobicContact CD2-CB 4.28Å; L219-H364 HydrophobicContact CD2-CB 3.63Å; L219-C374 HydrophobicContact CB-CB 4.31Å; L219-C374 HydrophobicContact CD1-CB 4.03Å; L219-C374 HydrophobicContact CG-CB 4.01Å; L219-C374 PolarHBondContact N-SG 2.88Å; L219-M376 HydrophobicContact CD1-CG 3.46Å; L219-M376 VanDerWaalsContact CD1-CG 3.46Å; L219-M376 HydrophobicContact CD1-SD 3.47Å; L219-M376 WeakPolarHBondContact CD1-SD 3.44Å
220L92.3Very high78.7Confident6 Ų660.5 Ų60.53%0.03134%0.339CS..EExtended strand (participates in β ladder)trans-108.8119.2176.5-56.7-175.6000109.6V294 V315 V318 M322 L326 F362 V363 L365L220-V294 HydrophobicContact CD1-CG1 4.16Å; L220-V315 HydrophobicContact CB-CG1 4.05Å; L220-V315 HydrophobicContact CD1-CB 4.33Å; L220-V315 HydrophobicContact CD1-CG1 3.86Å; L220-V318 HydrophobicContact CD1-CG1 4.48Å; L220-V318 HydrophobicContact CD1-CG2 4.19Å; L220-V318 HydrophobicContact CD2-CG1 3.89Å; L220-M322 HydrophobicContact CD2-CE 3.69Å; L220-L326 HydrophobicContact CD1-CD2 4.38Å; L220-F362 CarbonylContact O-C 3.54Å; L220-F362 VanDerWaalsContact O-CA 3.25Å; L220-F362 WeakPolarHBondContact O-CA 3.03Å; L220-V363 PolarHBondContact N-O 3.2Å; L220-V363 PolarHBondContact O-N 3.25Å; L220-L365 HydrophobicContact CD1-CD1 3.69Å; L220-L365 HydrophobicContact CD1-CG 4.36Å; L220-L365 HydrophobicContact CG-CD1 4.14Å
221E89.3Confident77.2Confident100 Ų10060.2 Ų60.247%0.46734%0.336SS..EExtended strand (participates in β ladder)trans-68.7131.2177.2-174169175.700110.2K360 F362E221-K360 VanDerWaalsContact CD-NZ 3.29Å; E221-K360 VanDerWaalsContact OE1-CD 3.32Å; E221-K360 WeakPolarHBondContact OE1-CD 3.39Å; E221-K360 WeakPolarHBondContact OE1-CE 3.44Å; E221-K360 IonicContact OE1-NZ 3.36Å; E221-K360 PolarHBondContact OE1-NZ 3.26Å; E221-K360 IonicContact OE2-NZ 2.69Å; E221-K360 PolarHBondContact OE2-NZ 2.91Å; E221-F362 HydrophobicContact CB-CD1 4Å; E221-F362 HydrophobicContact CB-CE1 3.8Å; E221-F362 HydrophobicContact CG-CE1 4.15Å
222T82.8Confident75.7Confident17 Ų1762.1 Ų62.110%0.10435%0.352CS..EExtended strand (participates in β ladder)trans-126133.2-179.958.20000111.2E224 L227 V315 H361 V363T222-E224 VanDerWaalsContact C-N 3.25Å; T222-E224 PolarHBondContact O-N 3.31Å; T222-L227 WeakPolarHBondContact OG1-CD1 3.19Å; T222-V315 HydrophobicContact CG2-CG1 4.11Å; T222-H361 PolarHBondContact N-O 3.25Å; T222-H361 PolarHBondContact OG1-O 3.13Å; T222-V363 HydrophobicContact CG2-CB 4.33Å; T222-V363 HydrophobicContact CG2-CG2 3.55Å
223P72.1Confident74.6Confident116 Ų11663.1 Ų63.175%0.75336%0.358SS*.  trans-75.6-10.4-178.930.7-35.2000113.8T225P223-T225 PolarHBondContact O-N 3.48Å
224E63Low73.3Confident85 Ų8561.9 Ų61.940%0.39735%0.35SS..  trans-81.4113.7-172.2-68.8-173.9-170.300112.6T222 Q226T222-E224 VanDerWaalsContact C-N 3.25Å; T222-E224 PolarHBondContact O-N 3.31Å; E224-Q226 PolarHBondContact O-N 3.25Å; E224-Q226 VanDerWaalsContact O-N 3.16Å
225T48.6Very low72.3Confident115 Ų11567.1 Ų67.171%0.70637%0.368SS*.THydrogen-bonded Turntrans-69.60.6173.543.40000114.4P223 L227P223-T225 PolarHBondContact O-N 3.48Å; T225-L227 VanDerWaalsContact C-N 3.33Å; T225-L227 PolarHBondContact O-N 3.38Å
226Q49.4Very low70.7Confident135 Ų13569.1 Ų69.163%0.63138%0.38SS*.THydrogen-bonded Turntrans-86.12.4-177.2-66-172.59.200114.3E224 A228E224-Q226 PolarHBondContact O-N 3.25Å; E224-Q226 VanDerWaalsContact O-N 3.16Å; Q226-A228 PolarHBondContact O-N 2.88Å
227L53.5Low69.3Low26 Ų2668.8 Ų68.814%0.13638%0.378CS..THydrogen-bonded Turntrans-73.511.8179.5-69162.2000114.4T222 T225 K229 L231 T354 H361T222-L227 WeakPolarHBondContact OG1-CD1 3.19Å; T225-L227 VanDerWaalsContact C-N 3.33Å; T225-L227 PolarHBondContact O-N 3.38Å; L227-K229 PolarHBondContact O-N 3.31Å; L227-L231 HydrophobicContact CD2-CD1 4.5Å; L227-L231 HydrophobicContact CD2-CD2 3.59Å; L227-L231 HydrophobicContact CD2-CG 4.17Å; L227-T354 HydrophobicContact CB-CG2 4.04Å; L227-T354 HydrophobicContact CD1-CG2 4.39Å; L227-T354 HydrophobicContact CD2-CG2 3.45Å; L227-T354 VanDerWaalsContact CD2-CG2 3.45Å; L227-T354 HydrophobicContact CG-CG2 4.15Å; L227-H361 HydrophobicContact CD1-CB 4Å
228A44.6Very low67.9Low98 Ų9873.2 Ų73.281%0.8141%0.41SS*.THydrogen-bonded Turntrans-67.7-10.9176.900000113.8Q226Q226-A228 PolarHBondContact O-N 2.88Å
229K57.7Low66.9Low167 Ų16778.2 Ų78.273%0.72644%0.436SS*.SBendtrans-103.9144.2170.7-68.4-178.3-179.4179.30109.6L227 L231L227-K229 PolarHBondContact O-N 3.31Å; K229-L231 PolarHBondContact O-N 3.43Å
230P58.5Low66.6Low118 Ų11881 Ų8177%0.76645%0.451SS*.  trans-54.9134.6172.522.2-30.9000109.7S232P230-S232 PolarHBondContact O-N 3.14Å; P230-S232 VanDerWaalsContact O-N 3.11Å
231L64.6Low66.5Low45 Ų4580.7 Ų80.724%0.23645%0.449CS..  trans-59.7115.8179.1-73.8170.5000109.4L227 K229 V233 V313 V352 T354L227-L231 HydrophobicContact CD2-CD1 4.5Å; L227-L231 HydrophobicContact CD2-CD2 3.59Å; L227-L231 HydrophobicContact CD2-CG 4.17Å; K229-L231 PolarHBondContact O-N 3.43Å; L231-V233 HydrophobicContact CB-CG2 3.81Å; L231-V233 PolarHBondContact O-N 2.9Å; L231-V233 VanDerWaalsContact O-N 3.16Å; L231-V313 HydrophobicContact CB-CG2 4.46Å; L231-V313 HydrophobicContact CD2-CG1 4.32Å; L231-V313 HydrophobicContact CD2-CG2 3.98Å; L231-V352 HydrophobicContact CD1-CG1 3.7Å; L231-T354 HydrophobicContact CD1-CG2 3.47Å; L231-T354 VanDerWaalsContact CD1-CG2 3.47Å; L231-T354 HydrophobicContact CD2-CG2 4.34Å; L231-T354 HydrophobicContact CG-CG2 3.59Å
232S62.8Low66.7Low75 Ų7578.9 Ų78.952%0.52444%0.44SS..  trans-7895.1166.763.20000108.2P230 H311P230-S232 PolarHBondContact O-N 3.14Å; P230-S232 VanDerWaalsContact O-N 3.11Å; S232-H311 PolarHBondContact OG-ND1 3.16Å; S232-H311 VanDerWaalsContact OG-ND1 3.16Å
233V71.8Confident67.3Low21 Ų2178.2 Ų78.213%0.12744%0.436CS..  trans-99128.9-179.9-168.10000110L231 R235 I241 V313 V352L231-V233 HydrophobicContact CB-CG2 3.81Å; L231-V233 PolarHBondContact O-N 2.9Å; L231-V233 VanDerWaalsContact O-N 3.16Å; V233-R235 PolarHBondContact O-N 2.8Å; V233-I241 HydrophobicContact CB-CD1 4.46Å; V233-I241 HydrophobicContact CG1-CD1 3.93Å; V233-I241 HydrophobicContact CG1-CG1 4.05Å; V233-I241 HydrophobicContact CG1-CG2 3.92Å; V233-V313 HydrophobicContact CG1-CG2 4.48Å; V233-V313 HydrophobicContact CG2-CG2 3.77Å; V233-V352 HydrophobicContact CG2-CB 4.42Å
234K69.7Low68.4Low65 Ų6572.7 Ų72.728%0.28340%0.4SS..  trans-63126.3170.5-167.3175.2180179.80109.9V286 G291 H311K234-V286 PolarHBondContact NZ-O 2.67Å; K234-G291 WeakPolarHBondContact O-CA 3.38Å; K234-H311 PolarHBondContact N-O 2.75Å
235R73.6Confident70Confident122 Ų12268.7 Ų68.746%0.4638%0.381SS..  trans-121.9140.5-178-68.4-179.6178.7158.6-1.3110V233 S237 I241 D351V233-R235 PolarHBondContact O-N 2.8Å; R235-S237 WeakPolarHBondContact CB-O 3.33Å; R235-I241 HydrophobicContact CG-CG1 4Å; R235-D351 IonicContact CZ-OD1 3.84Å; R235-D351 IonicContact NH2-OD1 3.68Å; R235-D351 PolarHBondContact NH2-OD1 3.1Å; R235-D351 IonicContact NH2-OD2 2.71Å
236I60.8Low72.2Confident70 Ų7063.2 Ų63.236%0.35935%0.347SS..SBendtrans-83.6-35.6-179.8-63.3139.7000111I240 K242 E289I236-I240 PolarHBondContact N-O 3.24Å; I236-K242 HydrophobicContact CD1-CB 3.64Å; I236-K242 HydrophobicContact CD1-CD 3.33Å; I236-K242 VanDerWaalsContact CD1-CE 3.42Å; I236-K242 HydrophobicContact CD1-CG 3.21Å; I236-K242 HydrophobicContact CG1-CD 4.3Å; I236-E289 HydrophobicContact CG1-CB 4.07Å
237S60.9Low74.3Confident57 Ų5758.3 Ų58.340%0.39933%0.327SS..BIsolated β-bridgetrans-138.1169.9169.462.80000108R235 N239 I240R235-S237 WeakPolarHBondContact CB-O 3.33Å; S237-N239 PolarHBondContact O-N 2.9Å; S237-I240 PolarHBondContact O-N 3Å
238S62.3Low76.1Confident94 Ų9458.4 Ų58.466%0.65733%0.329SS*.THydrogen-bonded Turntrans-50.6-22.5-174.146.50000114.8
239N74.1Confident78.3Confident104 Ų10455 Ų5556%0.55630%0.3SS*.THydrogen-bonded Turntrans-129.59.8-170.4-60.5-14.5000115.7S237 K350S237-N239 PolarHBondContact O-N 2.9Å; N239-K350 VanDerWaalsContact O-O 3.12Å
240I86.7Confident79.8Confident65 Ų6547.1 Ų47.133%0.33327%0.265SS..BIsolated β-bridgetrans-132.9128.5-177.2-56.1176.3000112.3I236 S237I236-I240 PolarHBondContact N-O 3.24Å; S237-I240 PolarHBondContact O-N 3Å
241I90.8Very high81.1Confident0 Ų042.3 Ų42.30%024%0.235CC..EExtended strand (participates in β ladder)trans-110.1122.4174.3-61.1163.8000108.4V233 R235 L292 S348 L349 V352V233-I241 HydrophobicContact CB-CD1 4.46Å; V233-I241 HydrophobicContact CG1-CD1 3.93Å; V233-I241 HydrophobicContact CG1-CG1 4.05Å; V233-I241 HydrophobicContact CG1-CG2 3.92Å; R235-I241 HydrophobicContact CG-CG1 4Å; I241-L292 HydrophobicContact CG2-CB 4.07Å; I241-S348 CarbonylContact O-C 3.55Å; I241-S348 WeakPolarHBondContact O-CA 3.36Å; I241-L349 HydrophobicContact CB-CB 4.38Å; I241-L349 PolarHBondContact N-O 3.08Å; I241-L349 PolarHBondContact O-N 2.92Å; I241-V352 HydrophobicContact CD1-CB 4.25Å; I241-V352 HydrophobicContact CD1-CG2 3.77Å
242K93.2Very high81.6Confident62 Ų6240.7 Ų40.727%0.2723%0.228SC..EExtended strand (participates in β ladder)trans-73.3136.7168.9-94.1170.7-159.1156.20109.9I236 D288 E289 I290 G291 L292 G347I236-K242 HydrophobicContact CD1-CB 3.64Å; I236-K242 HydrophobicContact CD1-CD 3.33Å; I236-K242 VanDerWaalsContact CD1-CE 3.42Å; I236-K242 HydrophobicContact CD1-CG 3.21Å; I236-K242 HydrophobicContact CG1-CD 4.3Å; K242-D288 WeakPolarHBondContact CD-O 3.42Å; K242-D288 PolarHBondContact NZ-O 3.21Å; K242-E289 IonicContact NZ-OE2 2.74Å; K242-I290 HydrophobicContact CB-CD1 3.73Å; K242-I290 HydrophobicContact CD-CD1 4.16Å; K242-I290 HydrophobicContact CG-CD1 4.4Å; K242-G291 PolarHBondContact O-N 3.31Å; K242-L292 PolarHBondContact O-N 3Å; K242-G347 WeakPolarHBondContact CA-O 3.49Å
243V94.3Very high81.9Confident3 Ų343.1 Ų43.12%0.01824%0.236CC..EExtended strand (participates in β ladder)trans-119.9129.1-177.7-173.20000110.4L292 V294 T330 Y346 G347 L349V243-L292 WeakPolarHBondContact CA-O 3.14Å; V243-L292 HydrophobicContact CG1-CB 4.47Å; V243-L292 HydrophobicContact CG1-CD2 4.08Å; V243-L292 HydrophobicContact CG1-CG 4.3Å; V243-L292 HydrophobicContact CG2-CB 4.28Å; V243-L292 HydrophobicContact CG2-CD2 4.13Å; V243-V294 HydrophobicContact CG1-CG2 4.27Å; V243-T330 HydrophobicContact CB-CG2 4.44Å; V243-T330 HydrophobicContact CG1-CG2 4.36Å; V243-T330 HydrophobicContact CG2-CG2 4.3Å; V243-Y346 CarbonylContact O-C 3.58Å; V243-Y346 WeakPolarHBondContact O-CA 3.2Å; V243-G347 PolarHBondContact N-O 2.64Å; V243-G347 PolarHBondContact O-N 3.15Å; V243-L349 HydrophobicContact CG2-CB 3.75Å
244A96.1Very high81.4Confident0 Ų046.1 Ų46.10%025%0.251CS..EExtended strand (participates in β ladder)trans-105.7128.6167.800000109.8F246 L285 I290 L292 V293 V294 I335 Y346A244-F246 HydrophobicContact CB-CD2 4.45Å; A244-F246 HydrophobicContact CB-CE2 3.85Å; A244-L285 HydrophobicContact CB-CD2 3.88Å; A244-I290 HydrophobicContact CB-CD1 4.44Å; A244-I290 HydrophobicContact CB-CG1 4.45Å; A244-I290 HydrophobicContact CB-CG2 4.09Å; A244-L292 PolarHBondContact N-O 3.48Å; A244-V293 HydrophobicContact CB-CG2 4.46Å; A244-V293 WeakPolarHBondContact O-CA 3.4Å; A244-V294 PolarHBondContact O-N 3.37Å; A244-I335 HydrophobicContact CB-CD1 4.44Å; A244-Y346 HydrophobicContact CB-CD1 3.94Å; A244-Y346 HydrophobicContact CB-CE1 4Å
245L96.2Very high80.8Confident1 Ų147.9 Ų47.91%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-115.1117.3-178.2-178.163.2000109.8V294 M323 L326 S332 P334 I335L245-V294 CarbonylContact C-O 3.53Å; L245-V294 WeakPolarHBondContact CA-O 3.45Å; L245-V294 HydrophobicContact CD1-CB 3.87Å; L245-V294 HydrophobicContact CD1-CG1 3.98Å; L245-M323 HydrophobicContact CD1-CE 3.44Å; L245-M323 VanDerWaalsContact CD1-CE 3.44Å; L245-M323 HydrophobicContact CD1-SD 3.92Å; L245-M323 HydrophobicContact CD2-CE 3.87Å; L245-M323 HydrophobicContact CG-CE 3.48Å; L245-M323 VanDerWaalsContact CG-CE 3.48Å; L245-L326 HydrophobicContact CD1-CB 4.33Å; L245-L326 HydrophobicContact CD1-CD1 4.06Å; L245-L326 HydrophobicContact CD2-CB 4.09Å; L245-S332 WeakPolarHBondContact CB-OG 3.31Å; L245-P334 HydrophobicContact CD2-CB 4.47Å; L245-P334 HydrophobicContact CD2-CG 4.04Å; L245-I335 WeakPolarHBondContact O-CB 3.42Å; L245-I335 PolarHBondContact O-N 3.5Å
246F95.5Very high79.9Confident0 Ų047 Ų470%026%0.262CS..EExtended strand (participates in β ladder)trans-108.9134.8-179.6-71.8-93.4000111.5A244 V248 M250 V281 L285 V293 V294 C295 Q296 M323 I335 F341A244-F246 HydrophobicContact CB-CD2 4.45Å; A244-F246 HydrophobicContact CB-CE2 3.85Å; F246-V248 HydrophobicContact CD1-CG2 4.16Å; F246-M250 HydrophobicContact CB-CE 4.32Å; F246-M250 HydrophobicContact CD1-SD 3.94Å; F246-M250 HydrophobicContact CD2-CE 3.97Å; F246-M250 HydrophobicContact CD2-SD 4.19Å; F246-M250 HydrophobicContact CE1-SD 4.14Å; F246-M250 HydrophobicContact CE2-CE 4.45Å; F246-M250 HydrophobicContact CE2-SD 4.38Å; F246-M250 HydrophobicContact CG-CE 4.07Å; F246-M250 HydrophobicContact CG-SD 3.97Å; F246-M250 HydrophobicContact CZ-SD 4.35Å; F246-V281 HydrophobicContact CZ-CG1 4.43Å; F246-L285 HydrophobicContact CE2-CD1 4.13Å; F246-L285 HydrophobicContact CE2-CD2 4.25Å; F246-L285 HydrophobicContact CZ-CD1 4.23Å; F246-L285 HydrophobicContact CZ-CD2 4.22Å; F246-V293 HydrophobicContact CD2-CG1 3.97Å; F246-V293 HydrophobicContact CE2-CG1 4.06Å; F246-V294 PolarHBondContact N-O 3.31Å; F246-C295 HydrophobicContact CB-CB 4.43Å; F246-C295 WeakPolarHBondContact O-CA 3.49Å; F246-Q296 PolarHBondContact O-N 2.82Å; F246-M323 WeakPolarHBondContact O-CE 3.3Å; F246-I335 HydrophobicContact CD1-CB 3.77Å; F246-I335 HydrophobicContact CD1-CD1 4.42Å; F246-I335 HydrophobicContact CD1-CG2 3.63Å; F246-I335 HydrophobicContact CD2-CD1 4.5Å; F246-I335 HydrophobicContact CE1-CB 3.96Å; F246-I335 HydrophobicContact CE1-CD1 4Å; F246-I335 HydrophobicContact CE1-CG2 3.51Å; F246-I335 HydrophobicContact CE2-CD1 4.08Å; F246-I335 HydrophobicContact CG-CB 4.27Å; F246-I335 HydrophobicContact CZ-CD1 3.81Å; F246-I335 HydrophobicContact CZ-CG2 4.39Å; F246-F341 HydrophobicContact CE1-CD1 4.31Å; F246-F341 HydrophobicContact CE1-CE1 4.22Å; F246-F341 HydrophobicContact CZ-CE1 4.26Å; F246-F341 HydrophobicContact CZ-CE2 4.49Å; F246-F341 HydrophobicContact CZ-CZ 4.21Å
247C93.6Very high79.4Confident31 Ų3149 Ų4921%0.20928%0.28CS..  trans-103.1-9171.360.10000113.6Q296 M323 P334 I335 A336C247-Q296 VanDerWaalsContact CB-OE1 3.24Å; C247-Q296 PolarHBondContact O-OE1 3.14Å; C247-M323 HydrophobicContact CB-CE 4.11Å; C247-P334 HydrophobicContact CB-CB 4.47Å; C247-I335 PolarHBondContact N-O 3.47Å; C247-I335 PolarHBondContact SG-O 2.99Å; C247-A336 WeakPolarHBondContact SG-CA 3.47Å
248V91.1Very high79.1Confident28 Ų2855.3 Ų55.317%0.1730%0.303CS..SBendtrans-87.7156.3174.5-74.80000112.8F246 C295 A336 V338F246-V248 HydrophobicContact CD1-CG2 4.16Å; V248-C295 PolarHBondContact O-SG 3.23Å; V248-A336 WeakPolarHBondContact CG1-O 3.18Å; V248-V338 HydrophobicContact CG2-CG1 3.8Å
249S89.9Confident78.8Confident28 Ų2858.9 Ų58.920%0.19631%0.31CS..  trans-71.4137.8171-162.40000108.8S251S249-S251 PolarHBondContact OG-OG 2.97Å
250M89.8Confident77.9Confident1 Ų156.2 Ų56.21%0.00531%0.307CS..BIsolated β-bridgetrans-11434.7171.4-60.7-166.8-69.900109.8F246 L278 V293 C295 V298 I299 H300 L303 V338F246-M250 HydrophobicContact CB-CE 4.32Å; F246-M250 HydrophobicContact CD1-SD 3.94Å; F246-M250 HydrophobicContact CD2-CE 3.97Å; F246-M250 HydrophobicContact CD2-SD 4.19Å; F246-M250 HydrophobicContact CE1-SD 4.14Å; F246-M250 HydrophobicContact CE2-CE 4.45Å; F246-M250 HydrophobicContact CE2-SD 4.38Å; F246-M250 HydrophobicContact CG-CE 4.07Å; F246-M250 HydrophobicContact CG-SD 3.97Å; F246-M250 HydrophobicContact CZ-SD 4.35Å; M250-L278 HydrophobicContact CB-CD2 4.2Å; M250-V293 HydrophobicContact CE-CG1 4.06Å; M250-C295 HydrophobicContact CE-CB 4.13Å; M250-V298 CarbonylContact C-O 3.17Å; M250-V298 PolarHBondContact N-O 2.7Å; M250-I299 HydrophobicContact CE-CB 4.41Å; M250-I299 HydrophobicContact CE-CD1 3.73Å; M250-I299 HydrophobicContact CE-CG1 3.54Å; M250-I299 HydrophobicContact CE-CG2 4.18Å; M250-H300 WeakPolarHBondContact O-CB 3.28Å; M250-H300 PolarHBondContact O-N 3.04Å; M250-L303 HydrophobicContact CB-CD2 4.47Å; M250-L303 HydrophobicContact SD-CD2 4.35Å; M250-V338 HydrophobicContact CG-CG1 3.8Å; M250-V338 HydrophobicContact SD-CG1 4.29Å
251S85.8Confident76.5Confident17 Ų1758.6 Ų58.612%0.11933%0.329CS..SBendtrans-88.7-10.3-177.6610000114.3S249 D253 H300S249-S251 PolarHBondContact OG-OG 2.97Å; S251-D253 VanDerWaalsContact C-N 3.25Å; S251-D253 WeakPolarHBondContact CB-OD2 3.47Å; S251-D253 PolarHBondContact OG-OD2 2.79Å; S251-H300 PolarHBondContact O-CD2 3.38Å; S251-H300 VanDerWaalsContact O-CD2 3.29Å
252G75.7Confident75.2Confident10 Ų1063 Ų6310%0.10335%0.352CS..SBendtrans90.1-19.9-172.700000113L254 E274G252-L254 PolarHBondContact O-N 3.13Å; G252-E274 VanDerWaalsContact O-OE2 3.12Å
253D68.3Low74Confident127 Ų12765.7 Ų65.768%0.67937%0.374SS*.  trans-81.733.8-175.3-36.7-55.9000114.1S251 F255S251-D253 VanDerWaalsContact C-N 3.25Å; S251-D253 WeakPolarHBondContact CB-OD2 3.47Å; S251-D253 PolarHBondContact OG-OD2 2.79Å; D253-F255 PolarHBondContact O-N 3.22Å
254L61.3Low72.6Confident84 Ų8468.7 Ų68.744%0.4439%0.392SS..  trans-694.6-175.2-89.397.4000114.2G252 N256G252-L254 PolarHBondContact O-N 3.13Å; L254-N256 PolarHBondContact O-N 3.04Å
255F57.2Low71.3Confident101 Ų10175.8 Ų75.844%0.44343%0.425SS..  trans-79103179.8-125.6-86.7000112.4D253 P257 I262D253-F255 PolarHBondContact O-N 3.22Å; F255-P257 WeakPolarHBondContact O-CD 3.01Å; F255-I262 HydrophobicContact CE1-CD1 4.24Å; F255-I262 HydrophobicContact CE1-CG1 4.29Å; F255-I262 HydrophobicContact CE2-CD1 3.22Å; F255-I262 HydrophobicContact CE2-CG1 4.14Å; F255-I262 HydrophobicContact CZ-CB 4.4Å; F255-I262 HydrophobicContact CZ-CD1 3.06Å; F255-I262 HydrophobicContact CZ-CG1 3.46Å; F255-I262 VanDerWaalsContact CZ-CG1 3.46Å
256N54.9Low69.8Low103 Ų10385.5 Ų85.555%0.55147%0.47SS*.  trans-85.8115.8162.3-95.5-8.5000108.8L254 E258 E259L254-N256 PolarHBondContact O-N 3.04Å; N256-E258 PolarHBondContact O-N 2.9Å; N256-E259 PolarHBondContact O-N 3.26Å; N256-E259 VanDerWaalsContact O-N 3.15Å
257P50.3Low68.5Low113 Ų11389.3 Ų89.373%0.73451%0.509SS*.G310 helixtrans-65.2-8.6-177.525.3-33.3000114.2F255F255-P257 WeakPolarHBondContact O-CD 3.01Å
258E53.7Low67.5Low189 Ų18992.8 Ų92.888%0.88352%0.524SS*.G310 helixtrans-80.1-11.9176.3-63.9-173.316500113.7N256N256-E258 PolarHBondContact O-N 2.9Å
259E56.8Low66.8Low170 Ų17094.1 Ų94.179%0.79454%0.535SS*.G310 helixtrans-96.61.8-174.8-78.9176.9160.300115.2N256N256-E259 PolarHBondContact O-N 3.26Å; N256-E259 VanDerWaalsContact O-N 3.15Å
260G55.7Low66.2Low48 Ų4896.1 Ų96.150%0.49554%0.543SS..  trans135.1174.5169.100000115.6
261S57.1Low65.6Low115 Ų115103.4 Ų103.480%0.80458%0.577SS**  trans-95.7120.8176.962.40000111.3
262I63.1Low65.4Low91 Ų91107.7 Ų107.747%0.46760%0.596SS.*  trans-89.4123.7168.3-66.9-169.6000110.1F255 V264 L270F255-I262 HydrophobicContact CE1-CD1 4.24Å; F255-I262 HydrophobicContact CE1-CG1 4.29Å; F255-I262 HydrophobicContact CE2-CD1 3.22Å; F255-I262 HydrophobicContact CE2-CG1 4.14Å; F255-I262 HydrophobicContact CZ-CB 4.4Å; F255-I262 HydrophobicContact CZ-CD1 3.06Å; F255-I262 HydrophobicContact CZ-CG1 3.46Å; F255-I262 VanDerWaalsContact CZ-CG1 3.46Å; I262-V264 HydrophobicContact CG2-CG2 3.85Å; I262-L270 HydrophobicContact CG2-CD2 4.45Å
263T67Low65.7Low120 Ų120109.8 Ų109.874%0.73661%0.61SS**  trans-88109.2165.4520000109.2
264V65.9Low66.4Low66 Ų66106 Ų10640%0.459%0.588SS.*PPolyproline II helixtrans-88.4126.8176.8-171.20000109.3I262 I268 L270I262-V264 HydrophobicContact CG2-CG2 3.85Å; V264-I268 HydrophobicContact CG1-CB 4.1Å; V264-I268 HydrophobicContact CG1-CG2 4.46Å; V264-I268 VanDerWaalsContact CG1-O 3.25Å; V264-I268 WeakPolarHBondContact CG1-O 3.42Å; V264-L270 HydrophobicContact CG1-CG 4.42Å; V264-L270 HydrophobicContact CG2-CD1 3.32Å; V264-L270 HydrophobicContact CG2-CD2 4.21Å; V264-L270 HydrophobicContact CG2-CG 3.67Å
265H69.6Low67.6Low148 Ų148103.6 Ų103.669%0.68558%0.575SS**PPolyproline II helixtrans-71.1144173.7-70.7-75.9000111.2G267 I268H265-G267 PolarHBondContact O-N 3.46Å; H265-I268 HydrophobicContact CB-CD1 4.39Å; H265-I268 PolarHBondContact O-N 3.44Å
266H64.6Low69Low206 Ų206103 Ų10395%0.95458%0.576SS**THydrogen-bonded Turntrans-57.5120.2-175.8-162.87000111.4
267G67.8Low70.6Confident79 Ų79102.3 Ų102.381%0.81457%0.57SS**THydrogen-bonded Turntrans108.9-7.2178.200000115.4H265H265-G267 PolarHBondContact O-N 3.46Å
268I71.2Confident72.6Confident105 Ų10597.3 Ų97.354%0.53854%0.537SS..  trans-97.6123.8173.4-59173.9000108.8V264 H265V264-I268 HydrophobicContact CG1-CB 4.1Å; V264-I268 HydrophobicContact CG1-CG2 4.46Å; V264-I268 VanDerWaalsContact CG1-O 3.25Å; V264-I268 WeakPolarHBondContact CG1-O 3.42Å; H265-I268 HydrophobicContact CB-CD1 4.39Å; H265-I268 PolarHBondContact O-N 3.44Å
269S77.6Confident74.4Confident56 Ų5690.1 Ų90.139%0.39250%0.504SS..  trans-91.4118.1166.6174.50000109E271 M272 S273S269-E271 VanDerWaalsContact C-N 3.29Å; S269-E271 PolarHBondContact O-N 2.93Å; S269-M272 PolarHBondContact O-N 3.23Å; S269-M272 PolarHBondContact OG-N 3.47Å; S269-S273 PolarHBondContact O-N 3.43Å
270L76.9Confident76.1Confident70 Ų7086 Ų8637%0.36649%0.488SS..Hα-helixtrans-57.8-44.1175-79.4167.1000111.2I262 V264 M272 S273 E274I262-L270 HydrophobicContact CG2-CD2 4.45Å; V264-L270 HydrophobicContact CG1-CG 4.42Å; V264-L270 HydrophobicContact CG2-CD1 3.32Å; V264-L270 HydrophobicContact CG2-CD2 4.21Å; V264-L270 HydrophobicContact CG2-CG 3.67Å; L270-M272 VanDerWaalsContact C-N 3.29Å; L270-M272 PolarHBondContact O-N 2.73Å; L270-S273 WeakPolarHBondContact O-CB 3.48Å; L270-S273 PolarHBondContact O-N 3.43Å; L270-E274 WeakPolarHBondContact O-CG 3.23Å; L270-E274 PolarHBondContact O-N 3.33Å
271E77.9Confident77.9Confident153 Ų15384.3 Ų84.372%0.71547%0.468SS*.Hα-helixtrans-57.9-41.6-179.7-61.717517600111.8S269 L275S269-E271 VanDerWaalsContact C-N 3.29Å; S269-E271 PolarHBondContact O-N 2.93Å; E271-L275 VanDerWaalsContact O-CB 3.28Å; E271-L275 WeakPolarHBondContact O-CB 3.49Å; E271-L275 PolarHBondContact O-N 2.95Å
272M80.5Confident79.7Confident108 Ų10878.8 Ų78.853%0.53243%0.429SS..Hα-helixtrans-67.9-39.9177.3-69.6-61-58.600111.8S269 L270 L275 D276S269-M272 PolarHBondContact O-N 3.23Å; S269-M272 PolarHBondContact OG-N 3.47Å; L270-M272 VanDerWaalsContact C-N 3.29Å; L270-M272 PolarHBondContact O-N 2.73Å; M272-L275 PolarHBondContact O-N 2.95Å; M272-D276 WeakPolarHBondContact O-CB 3.27Å; M272-D276 PolarHBondContact O-N 3.31Å
273S81.9Confident81.2Confident54 Ų5478.9 Ų78.938%0.37843%0.426SS..Hα-helixtrans-66.6-40.9177.3-177.70000112S269 L270 D276 Q277S269-S273 PolarHBondContact O-N 3.43Å; L270-S273 WeakPolarHBondContact O-CB 3.48Å; L270-S273 PolarHBondContact O-N 3.43Å; S273-D276 PolarHBondContact O-N 3.04Å; S273-Q277 WeakPolarHBondContact O-CG 3.38Å; S273-Q277 PolarHBondContact O-N 2.9Å
274E83.1Confident82.5Confident48 Ų4876.6 Ų76.622%0.22441%0.407CS..Hα-helixtrans-65.6-41.9175.7-72.6174.5154.900111G252 L270 Q277 L278G252-E274 VanDerWaalsContact O-OE2 3.12Å; L270-E274 WeakPolarHBondContact O-CG 3.23Å; L270-E274 PolarHBondContact O-N 3.33Å; E274-Q277 WeakPolarHBondContact O-CB 3.13Å; E274-Q277 PolarHBondContact O-N 3.37Å; E274-L278 WeakPolarHBondContact O-CG 3.46Å; E274-L278 PolarHBondContact O-N 2.96Å
275L86.3Confident83.9Confident33 Ų3373.5 Ų73.517%0.17339%0.388CS..Hα-helixtrans-62.5-42.6174.7-178.858.4000112E271 M272 Q277 L278 L279E271-L275 VanDerWaalsContact O-CB 3.28Å; E271-L275 WeakPolarHBondContact O-CB 3.49Å; E271-L275 PolarHBondContact O-N 2.95Å; M272-L275 PolarHBondContact O-N 2.95Å; L275-Q277 VanDerWaalsContact C-N 3.31Å; L275-Q277 PolarHBondContact O-N 2.89Å; L275-L278 PolarHBondContact O-N 3.29Å; L275-L279 HydrophobicContact CD1-CG 4.36Å; L275-L279 HydrophobicContact CG-CD1 4.23Å; L275-L279 WeakPolarHBondContact O-CG 3.24Å; L275-L279 PolarHBondContact O-N 2.93Å
276D87.9Confident85Confident87 Ų8767.1 Ų67.147%0.46536%0.36SS..Hα-helixtrans-61.7-39.1175.8-84.2-21.1000111.9M272 S273 L279 N280M272-D276 WeakPolarHBondContact O-CB 3.27Å; M272-D276 PolarHBondContact O-N 3.31Å; S273-D276 PolarHBondContact O-N 3.04Å; D276-L279 PolarHBondContact O-N 3.22Å; D276-N280 PolarHBondContact O-N 3.49Å; D276-N280 PolarHBondContact O-ND2 3.33Å
277Q88.1Confident86.4Confident90 Ų9063.4 Ų63.442%0.42135%0.347SS..Hα-helixtrans-62.6-46.3173.3-71.7-179.913.900111.6S273 E274 L275 L279 N280 V281 H339S273-Q277 WeakPolarHBondContact O-CG 3.38Å; S273-Q277 PolarHBondContact O-N 2.9Å; E274-Q277 WeakPolarHBondContact O-CB 3.13Å; E274-Q277 PolarHBondContact O-N 3.37Å; L275-Q277 VanDerWaalsContact C-N 3.31Å; L275-Q277 PolarHBondContact O-N 2.89Å; Q277-L279 VanDerWaalsContact C-N 3.32Å; Q277-L279 PolarHBondContact O-N 2.9Å; Q277-N280 WeakPolarHBondContact O-CB 3.44Å; Q277-N280 PolarHBondContact O-N 3.28Å; Q277-N280 VanDerWaalsContact O-N 3.16Å; Q277-V281 WeakPolarHBondContact O-CG2 3.49Å; Q277-V281 PolarHBondContact O-N 2.92Å; Q277-H339 PolarHBondContact OE1-CE1 2.86Å
278L91.4Very high87.6Confident8 Ų861.5 Ų61.54%0.04232%0.318CS..Hα-helixtrans-61.9-39176.1-70.1175.8000112.2M250 E274 L275 N280 V281 G282 H300 L303M250-L278 HydrophobicContact CB-CD2 4.2Å; E274-L278 WeakPolarHBondContact O-CG 3.46Å; E274-L278 PolarHBondContact O-N 2.96Å; L275-L278 PolarHBondContact O-N 3.29Å; L278-N280 VanDerWaalsContact C-N 3.33Å; L278-V281 WeakPolarHBondContact O-CB 3.44Å; L278-V281 PolarHBondContact O-N 3.32Å; L278-G282 PolarHBondContact O-N 3.47Å; L278-H300 HydrophobicContact CD1-CB 4.05Å; L278-L303 HydrophobicContact CB-CD2 4.35Å; L278-L303 WeakPolarHBondContact O-CD1 3.25Å
279L92.4Very high88.6Confident38 Ų3860.4 Ų60.420%0.19931%0.311CS..Hα-helixtrans-67.7-33.8175.3-72.4174.2000112L275 D276 Q277 G282 K283 Y306L275-L279 HydrophobicContact CD1-CG 4.36Å; L275-L279 HydrophobicContact CG-CD1 4.23Å; L275-L279 WeakPolarHBondContact O-CG 3.24Å; L275-L279 PolarHBondContact O-N 2.93Å; D276-L279 PolarHBondContact O-N 3.22Å; Q277-L279 VanDerWaalsContact C-N 3.32Å; Q277-L279 PolarHBondContact O-N 2.9Å; L279-G282 WeakPolarHBondContact O-CA 3.38Å; L279-G282 PolarHBondContact O-N 3.49Å; L279-K283 WeakPolarHBondContact O-CG 3.34Å; L279-K283 PolarHBondContact O-N 2.79Å; L279-Y306 HydrophobicContact CD2-CD2 4.48Å; L279-Y306 HydrophobicContact CD2-CG 4.09Å
280N92.8Very high89.4Confident84 Ų8457.8 Ų57.845%0.44929%0.292SS..Hα-helixtrans-66.1-38172.8-69.4-26.1000111.9D276 Q277 L278 G282 K283 Q284D276-N280 PolarHBondContact O-N 3.49Å; D276-N280 PolarHBondContact O-ND2 3.33Å; Q277-N280 WeakPolarHBondContact O-CB 3.44Å; Q277-N280 PolarHBondContact O-N 3.28Å; Q277-N280 VanDerWaalsContact O-N 3.16Å; L278-N280 VanDerWaalsContact C-N 3.33Å; N280-G282 VanDerWaalsContact C-N 3.32Å; N280-K283 PolarHBondContact O-N 3.29Å; N280-K283 PolarHBondContact OD1-NZ 3.14Å; N280-Q284 PolarHBondContact O-N 3.19Å
281V93.1Very high90.1Very high11 Ų1154.4 Ų54.47%0.06728%0.275CS..Hα-helixtrans-59.3-45.4168.9172.10000110.5F246 Q277 L278 K283 Q284 L285 V338 F341F246-V281 HydrophobicContact CZ-CG1 4.43Å; Q277-V281 WeakPolarHBondContact O-CG2 3.49Å; Q277-V281 PolarHBondContact O-N 2.92Å; L278-V281 WeakPolarHBondContact O-CB 3.44Å; L278-V281 PolarHBondContact O-N 3.32Å; V281-K283 PolarHBondContact O-N 3.45Å; V281-Q284 WeakPolarHBondContact O-CB 3.03Å; V281-Q284 PolarHBondContact O-N 3.29Å; V281-L285 HydrophobicContact CG1-CD1 4.1Å; V281-L285 WeakPolarHBondContact O-CG 3.16Å; V281-L285 PolarHBondContact O-N 3.48Å; V281-V338 HydrophobicContact CG2-CB 4.34Å; V281-V338 WeakPolarHBondContact CG2-O 3.45Å; V281-F341 HydrophobicContact CG1-CE1 3.89Å; V281-F341 HydrophobicContact CG1-CZ 3.87Å; V281-F341 HydrophobicContact CG2-CE1 4.35Å
282G94.4Very high90.8Very high0 Ų047.2 Ų47.20%024%0.241CC..Hα-helixtrans-56-48174.100000113L278 L279 N280 Q284 L285 V286L278-G282 PolarHBondContact O-N 3.47Å; L279-G282 WeakPolarHBondContact O-CA 3.38Å; L279-G282 PolarHBondContact O-N 3.49Å; N280-G282 VanDerWaalsContact C-N 3.32Å; G282-Q284 VanDerWaalsContact C-N 3.33Å; G282-Q284 PolarHBondContact O-N 2.93Å; G282-L285 PolarHBondContact O-N 3.11Å; G282-V286 WeakPolarHBondContact O-CG2 3.4Å; G282-V286 PolarHBondContact O-N 3.16Å
283K94.9Very high91.5Very high92 Ų9242 Ų4240%0.422%0.216SC..Hα-helixtrans-58.8-43.9176.6-70.4167.9-165.8163.20111.5L279 N280 V281 V286 N287 Y306L279-K283 WeakPolarHBondContact O-CG 3.34Å; L279-K283 PolarHBondContact O-N 2.79Å; N280-K283 PolarHBondContact O-N 3.29Å; N280-K283 PolarHBondContact OD1-NZ 3.14Å; V281-K283 PolarHBondContact O-N 3.45Å; K283-V286 PolarHBondContact O-N 3.45Å; K283-N287 WeakPolarHBondContact O-CB 3.48Å; K283-N287 PolarHBondContact O-N 2.96Å; K283-N287 PolarHBondContact O-ND2 3.26Å; K283-Y306 HydrophobicContact CG-CE1 4.31Å; K283-Y306 VanDerWaalsContact CG-OH 3.27Å; K283-Y306 WeakPolarHBondContact CG-OH 3.42Å
284Q94.4Very high92.2Very high72 Ų7239.5 Ų39.534%0.33620%0.198SC..Hα-helixtrans-60.1-47.3177.3-175.1-177.8-13.700111.4N280 V281 G282 V286 N287 D288N280-Q284 PolarHBondContact O-N 3.19Å; V281-Q284 WeakPolarHBondContact O-CB 3.03Å; V281-Q284 PolarHBondContact O-N 3.29Å; G282-Q284 VanDerWaalsContact C-N 3.33Å; G282-Q284 PolarHBondContact O-N 2.93Å; Q284-V286 VanDerWaalsContact C-N 3.31Å; Q284-V286 PolarHBondContact O-N 2.95Å; Q284-N287 WeakPolarHBondContact O-CB 3.46Å; Q284-N287 PolarHBondContact O-N 3.47Å; Q284-D288 WeakPolarHBondContact O-CB 3.24Å; Q284-D288 PolarHBondContact O-N 3.18Å
285L94.6Very high92.7Very high1 Ų137.2 Ų37.21%0.00519%0.187CC..Hα-helixtrans-61.4-38.5178.4-66.1168.3000112.4A244 F246 V281 G282 D288 E289 I290 V293 F341 Y346A244-L285 HydrophobicContact CB-CD2 3.88Å; F246-L285 HydrophobicContact CE2-CD1 4.13Å; F246-L285 HydrophobicContact CE2-CD2 4.25Å; F246-L285 HydrophobicContact CZ-CD1 4.23Å; F246-L285 HydrophobicContact CZ-CD2 4.22Å; V281-L285 HydrophobicContact CG1-CD1 4.1Å; V281-L285 WeakPolarHBondContact O-CG 3.16Å; V281-L285 PolarHBondContact O-N 3.48Å; G282-L285 PolarHBondContact O-N 3.11Å; L285-D288 PolarHBondContact O-N 3.46Å; L285-E289 PolarHBondContact O-N 3.21Å; L285-I290 HydrophobicContact CB-CB 4.36Å; L285-I290 HydrophobicContact CB-CG1 4.18Å; L285-I290 HydrophobicContact CD2-CG1 3.89Å; L285-I290 WeakPolarHBondContact O-CB 3.35Å; L285-I290 WeakPolarHBondContact O-CG1 3.44Å; L285-I290 PolarHBondContact O-N 3.15Å; L285-I290 VanDerWaalsContact O-N 3.07Å; L285-V293 HydrophobicContact CD1-CG2 3.97Å; L285-F341 HydrophobicContact CD2-CE2 3.95Å; L285-F341 HydrophobicContact CD2-CZ 4.24Å; L285-F341 HydrophobicContact CG-CZ 4.47Å; L285-Y346 HydrophobicContact CD2-CE1 4.14Å
286V93.9Very high93.1Very high15 Ų1537.4 Ų37.49%0.09119%0.187CC..Hα-helixtrans-66.7-41.8176.7172.70000111.4K234 G282 K283 Q284 D288 E289 Y306 L307 N310 V312K234-V286 PolarHBondContact NZ-O 2.67Å; G282-V286 WeakPolarHBondContact O-CG2 3.4Å; G282-V286 PolarHBondContact O-N 3.16Å; K283-V286 PolarHBondContact O-N 3.45Å; Q284-V286 VanDerWaalsContact C-N 3.31Å; Q284-V286 PolarHBondContact O-N 2.95Å; V286-D288 VanDerWaalsContact C-N 3.33Å; V286-E289 PolarHBondContact O-N 3.29Å; V286-Y306 HydrophobicContact CG2-CE1 4.07Å; V286-L307 HydrophobicContact CG2-CD2 4.13Å; V286-N310 HydrophobicContact CG1-CB 4.07Å; V286-N310 HydrophobicContact CG2-CB 3.67Å; V286-V312 HydrophobicContact CG2-CG2 4.13Å
287N93.4Very high93.3Very high127 Ų12738.2 Ų38.268%0.67919%0.186SC*.Hα-helixtrans-64.5-37176.4-70.5-16.6000112K283 Q284 E289K283-N287 WeakPolarHBondContact O-CB 3.48Å; K283-N287 PolarHBondContact O-N 2.96Å; K283-N287 PolarHBondContact O-ND2 3.26Å; Q284-N287 WeakPolarHBondContact O-CB 3.46Å; Q284-N287 PolarHBondContact O-N 3.47Å; N287-E289 PolarHBondContact O-N 3.5Å
288D92.3Very high93.5Very high39 Ų3936 Ų3621%0.20918%0.179CC..THydrogen-bonded Turntrans-75.70.6177-71.2-16.9000113.4K242 Q284 L285 V286 I290 Y346K242-D288 WeakPolarHBondContact CD-O 3.42Å; K242-D288 PolarHBondContact NZ-O 3.21Å; Q284-D288 WeakPolarHBondContact O-CB 3.24Å; Q284-D288 PolarHBondContact O-N 3.18Å; L285-D288 PolarHBondContact O-N 3.46Å; V286-D288 VanDerWaalsContact C-N 3.33Å; D288-I290 VanDerWaalsContact C-N 3.32Å; D288-I290 HydrophobicContact CB-CG1 4.28Å; D288-I290 PolarHBondContact O-N 2.86Å; D288-Y346 HydrophobicContact CB-CE2 3.71Å; D288-Y346 VanDerWaalsContact OD2-CE2 3.28Å; D288-Y346 WeakPolarHBondContact OD2-CE2 3.48Å; D288-Y346 PolarHBondContact OD2-OH 2.86Å
289E92.4Very high93.6Very high83 Ų8335.7 Ų35.739%0.38818%0.177SC..THydrogen-bonded Turntrans6136.8-179.5-50.4178137.400113.2I236 K242 L285 V286 N287 G291I236-E289 HydrophobicContact CG1-CB 4.07Å; K242-E289 IonicContact NZ-OE2 2.74Å; L285-E289 PolarHBondContact O-N 3.21Å; V286-E289 PolarHBondContact O-N 3.29Å; N287-E289 PolarHBondContact O-N 3.5Å; E289-G291 PolarHBondContact O-N 2.99Å
290I94.3Very high93.6Very high0 Ų036.2 Ų36.20%018%0.179CC..EExtended strand (participates in β ladder)trans-65.5132.7171.1-58.6-54.7000109.5K242 A244 L285 D288 L292 V293 V312 Y346K242-I290 HydrophobicContact CB-CD1 3.73Å; K242-I290 HydrophobicContact CD-CD1 4.16Å; K242-I290 HydrophobicContact CG-CD1 4.4Å; A244-I290 HydrophobicContact CB-CD1 4.44Å; A244-I290 HydrophobicContact CB-CG1 4.45Å; A244-I290 HydrophobicContact CB-CG2 4.09Å; L285-I290 HydrophobicContact CB-CB 4.36Å; L285-I290 HydrophobicContact CB-CG1 4.18Å; L285-I290 HydrophobicContact CD2-CG1 3.89Å; L285-I290 WeakPolarHBondContact O-CB 3.35Å; L285-I290 WeakPolarHBondContact O-CG1 3.44Å; L285-I290 PolarHBondContact O-N 3.15Å; L285-I290 VanDerWaalsContact O-N 3.07Å; D288-I290 VanDerWaalsContact C-N 3.32Å; D288-I290 HydrophobicContact CB-CG1 4.28Å; D288-I290 PolarHBondContact O-N 2.86Å; I290-L292 VanDerWaalsContact CG2-O 3.26Å; I290-L292 WeakPolarHBondContact CG2-O 3.28Å; I290-V293 HydrophobicContact CG2-CG2 3.82Å; I290-V312 HydrophobicContact CG2-CG1 4.35Å; I290-V312 VanDerWaalsContact O-CG2 3.3Å; I290-V312 WeakPolarHBondContact O-CG2 3.29Å; I290-Y346 HydrophobicContact CD1-CD1 3.74Å; I290-Y346 HydrophobicContact CD1-CD2 3.68Å; I290-Y346 HydrophobicContact CD1-CE1 3.91Å; I290-Y346 HydrophobicContact CD1-CE2 3.83Å; I290-Y346 HydrophobicContact CD1-CG 3.62Å; I290-Y346 HydrophobicContact CG1-CE1 4.39Å
291G91.5Very high93.6Very high0 Ų036.6 Ų36.60%019%0.186CC..EExtended strand (participates in β ladder)trans-101.9-25175.200000113.4K234 K242 E289 V313K234-G291 WeakPolarHBondContact O-CA 3.38Å; K242-G291 PolarHBondContact O-N 3.31Å; E289-G291 PolarHBondContact O-N 2.99Å; G291-V313 PolarHBondContact O-N 3.25Å
292L93.9Very high93.5Very high1 Ų138.4 Ų38.41%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-136.8127.4-179.5177.968.3000111I241 K242 V243 A244 I290 V294 V313 V315 L349 V352 L365I241-L292 HydrophobicContact CG2-CB 4.07Å; K242-L292 PolarHBondContact O-N 3Å; V243-L292 WeakPolarHBondContact CA-O 3.14Å; V243-L292 HydrophobicContact CG1-CB 4.47Å; V243-L292 HydrophobicContact CG1-CD2 4.08Å; V243-L292 HydrophobicContact CG1-CG 4.3Å; V243-L292 HydrophobicContact CG2-CB 4.28Å; V243-L292 HydrophobicContact CG2-CD2 4.13Å; A244-L292 PolarHBondContact N-O 3.48Å; I290-L292 VanDerWaalsContact CG2-O 3.26Å; I290-L292 WeakPolarHBondContact CG2-O 3.28Å; L292-V294 HydrophobicContact CD1-CG2 4.21Å; L292-V294 HydrophobicContact CD2-CG2 3.85Å; L292-V294 HydrophobicContact CG-CG2 3.79Å; L292-V313 CarbonylContact C-O 3.39Å; L292-V313 WeakPolarHBondContact CA-O 3.33Å; L292-V313 HydrophobicContact CD1-CB 3.87Å; L292-V313 HydrophobicContact CD1-CG1 3.78Å; L292-V315 HydrophobicContact CD1-CG2 4.24Å; L292-L349 HydrophobicContact CD2-CD2 4.13Å; L292-V352 HydrophobicContact CD2-CG2 4.19Å; L292-L365 HydrophobicContact CD2-CD1 4.46Å; L292-L365 HydrophobicContact CD2-CD2 3.56Å
293V94.9Very high93.5Very high0 Ų038.4 Ų38.40%020%0.199CC..EExtended strand (participates in β ladder)trans-112.6119.7171.4177.30000108.5A244 F246 M250 L285 I290 I299 L307 V312 V313 T314 V315A244-V293 HydrophobicContact CB-CG2 4.46Å; A244-V293 WeakPolarHBondContact O-CA 3.4Å; F246-V293 HydrophobicContact CD2-CG1 3.97Å; F246-V293 HydrophobicContact CE2-CG1 4.06Å; M250-V293 HydrophobicContact CE-CG1 4.06Å; L285-V293 HydrophobicContact CD1-CG2 3.97Å; I290-V293 HydrophobicContact CG2-CG2 3.82Å; V293-I299 HydrophobicContact CG1-CD1 4.26Å; V293-L307 HydrophobicContact CG2-CD1 4.32Å; V293-V312 HydrophobicContact CG2-CG1 3.77Å; V293-V313 PolarHBondContact N-O 3.11Å; V293-T314 HydrophobicContact CB-CG2 4.3Å; V293-T314 CarbonylContact O-C 3.55Å; V293-T314 WeakPolarHBondContact O-CA 3.38Å; V293-V315 PolarHBondContact O-N 3.37Å
294V95.5Very high93.4Very high0 Ų035.7 Ų35.70%019%0.187CC..EExtended strand (participates in β ladder)trans-112.8129.6176.7-171.20000109.1L220 V243 A244 L245 F246 L292 V315 V318 L326L220-V294 HydrophobicContact CD1-CG1 4.16Å; V243-V294 HydrophobicContact CG1-CG2 4.27Å; A244-V294 PolarHBondContact O-N 3.37Å; L245-V294 CarbonylContact C-O 3.53Å; L245-V294 WeakPolarHBondContact CA-O 3.45Å; L245-V294 HydrophobicContact CD1-CB 3.87Å; L245-V294 HydrophobicContact CD1-CG1 3.98Å; F246-V294 PolarHBondContact N-O 3.31Å; L292-V294 HydrophobicContact CD1-CG2 4.21Å; L292-V294 HydrophobicContact CD2-CG2 3.85Å; L292-V294 HydrophobicContact CG-CG2 3.79Å; V294-V315 CarbonylContact C-O 3.59Å; V294-V315 WeakPolarHBondContact CA-O 2.86Å; V294-V318 HydrophobicContact CG1-CB 4.35Å; V294-V318 HydrophobicContact CG1-CG1 4.42Å; V294-V318 HydrophobicContact CG1-CG2 3.7Å; V294-L326 HydrophobicContact CG1-CD1 3.82Å
295C94.9Very high93.2Very high0 Ų038 Ų380%020%0.198CC..EExtended strand (participates in β ladder)trans-122.8131.6179.5-1710000111F246 V248 M250 K297 I299 V315 D316 R317 V318F246-C295 HydrophobicContact CB-CB 4.43Å; F246-C295 WeakPolarHBondContact O-CA 3.49Å; V248-C295 PolarHBondContact O-SG 3.23Å; M250-C295 HydrophobicContact CE-CB 4.13Å; C295-K297 PolarHBondContact O-N 2.89Å; C295-K297 PolarHBondContact SG-N 3.48Å; C295-K297 VanDerWaalsContact SG-N 3.43Å; C295-K297 PolarHBondContact SG-O 3.18Å; C295-K297 VanDerWaalsContact SG-O 3.39Å; C295-I299 HydrophobicContact CB-CD1 3.69Å; C295-I299 HydrophobicContact CB-CG1 3.57Å; C295-V315 PolarHBondContact N-O 2.93Å; C295-D316 HydrophobicContact CB-CB 4.3Å; C295-D316 CarbonylContact O-C 3.55Å; C295-R317 PolarHBondContact O-N 3.13Å; C295-V318 PolarHBondContact O-N 3.22Å
296Q94.4Very high93.2Very high37 Ų3740.7 Ų40.717%0.17321%0.208CC..SBendtrans-57.3-40.5172-173-173.9-16.500111.3F246 C247 R317 V318 G319 M323F246-Q296 PolarHBondContact O-N 2.82Å; C247-Q296 VanDerWaalsContact CB-OE1 3.24Å; C247-Q296 PolarHBondContact O-OE1 3.14Å; Q296-R317 CarbonylContact O-C 3.27Å; Q296-V318 PolarHBondContact O-N 2.85Å; Q296-G319 PolarHBondContact O-N 3.33Å; Q296-G319 VanDerWaalsContact O-N 3.14Å; Q296-M323 HydrophobicContact CB-CE 4Å; Q296-M323 HydrophobicContact CB-CG 4.14Å; Q296-M323 HydrophobicContact CB-SD 3.57Å; Q296-M323 VanDerWaalsContact CB-SD 3.57Å; Q296-M323 HydrophobicContact CG-CG 3.9Å; Q296-M323 HydrophobicContact CG-SD 3.98Å
297K92.8Very high93.2Very high104 Ų10440 Ų4045%0.45220%0.204SC..SBendtrans-110.2-158.2-174.4-63.2-175.3-177.3-179.60109.8C295 D316 R317C295-K297 PolarHBondContact O-N 2.89Å; C295-K297 PolarHBondContact SG-N 3.48Å; C295-K297 VanDerWaalsContact SG-N 3.43Å; C295-K297 PolarHBondContact SG-O 3.18Å; C295-K297 VanDerWaalsContact SG-O 3.39Å; K297-D316 WeakPolarHBondContact O-CB 3.33Å; K297-R317 PolarHBondContact O-N 3.29Å
298V92.1Very high93Very high43 Ų4339.2 Ų39.226%0.26120%0.195SC..  trans-82.6146.2-174.1-175.40000111M250 R317M250-V298 CarbonylContact C-O 3.17Å; M250-V298 PolarHBondContact N-O 2.7Å; V298-R317 HydrophobicContact CG2-CG 4.09Å
299I92.4Very high92.9Very high2 Ų243.1 Ų43.11%0.0121%0.212CC..BIsolated β-bridgetrans-109.6132.4167.6-53.9176.3000109M250 V293 C295 L303 K304 D316M250-I299 HydrophobicContact CE-CB 4.41Å; M250-I299 HydrophobicContact CE-CD1 3.73Å; M250-I299 HydrophobicContact CE-CG1 3.54Å; M250-I299 HydrophobicContact CE-CG2 4.18Å; V293-I299 HydrophobicContact CG1-CD1 4.26Å; C295-I299 HydrophobicContact CB-CD1 3.69Å; C295-I299 HydrophobicContact CB-CG1 3.57Å; I299-L303 HydrophobicContact CG2-CB 4.26Å; I299-L303 HydrophobicContact CG2-CD2 3.97Å; I299-L303 HydrophobicContact CG2-CG 4.11Å; I299-K304 HydrophobicContact CB-CD 4.4Å; I299-K304 HydrophobicContact CB-CG 3.88Å; I299-K304 HydrophobicContact CG2-CG 3.63Å; I299-K304 WeakPolarHBondContact O-CE 3.49Å; I299-D316 HydrophobicContact CB-CB 4.16Å; I299-D316 HydrophobicContact CD1-CB 3.85Å; I299-D316 HydrophobicContact CG1-CB 3.59Å; I299-D316 PolarHBondContact N-OD2 2.97Å; I299-D316 VanDerWaalsContact N-OD2 3.1Å
300H93.5Very high92.9Very high50 Ų5041.7 Ų41.723%0.23121%0.207CC..  trans-57.8135.5179.5-172-91.6000111.3M250 S251 L278 S302 L303 K304M250-H300 WeakPolarHBondContact O-CB 3.28Å; M250-H300 PolarHBondContact O-N 3.04Å; S251-H300 PolarHBondContact O-CD2 3.38Å; S251-H300 VanDerWaalsContact O-CD2 3.29Å; L278-H300 HydrophobicContact CD1-CB 4.05Å; H300-S302 VanDerWaalsContact C-N 3.34Å; H300-S302 PolarHBondContact CE1-OG 2.77Å; H300-S302 PolarHBondContact ND1-N 3.07Å; H300-S302 PolarHBondContact ND1-OG 2.84Å; H300-S302 PolarHBondContact O-N 2.98Å; H300-L303 HydrophobicContact CB-CB 4.43Å; H300-L303 WeakPolarHBondContact O-CB 3.32Å; H300-L303 PolarHBondContact O-N 2.82Å; H300-K304 PolarHBondContact O-N 3.32Å
301P91.7Very high92.7Very high91 Ų9146.7 Ų46.759%0.59123%0.23SC*.Hα-helixtrans-54.7-42.6-175.4-28.235.5000114.5L303 K304 Q305P301-L303 VanDerWaalsContact C-N 3.31Å; P301-L303 PolarHBondContact O-N 3.37Å; P301-K304 WeakPolarHBondContact O-CB 3.49Å; P301-K304 PolarHBondContact O-N 3.41Å; P301-Q305 PolarHBondContact O-N 2.96Å
302S92.3Very high92.7Very high49 Ų4946.8 Ų46.834%0.34323%0.231SC..Hα-helixtrans-64.6-35178.9-47.70000112.5H300 Q305 Y306H300-S302 VanDerWaalsContact C-N 3.34Å; H300-S302 PolarHBondContact CE1-OG 2.77Å; H300-S302 PolarHBondContact ND1-N 3.07Å; H300-S302 PolarHBondContact ND1-OG 2.84Å; H300-S302 PolarHBondContact O-N 2.98Å; S302-Q305 PolarHBondContact O-N 3.11Å; S302-Y306 WeakPolarHBondContact O-CB 3.38Å; S302-Y306 PolarHBondContact O-N 3.24Å
303L93.6Very high92.5Very high0 Ų047.6 Ų47.60%024%0.235CC..Hα-helixtrans-70.1-41.5175.4177.458.3000110.7M250 L278 I299 H300 P301 Q305 Y306 L307M250-L303 HydrophobicContact CB-CD2 4.47Å; M250-L303 HydrophobicContact SD-CD2 4.35Å; L278-L303 HydrophobicContact CB-CD2 4.35Å; L278-L303 WeakPolarHBondContact O-CD1 3.25Å; I299-L303 HydrophobicContact CG2-CB 4.26Å; I299-L303 HydrophobicContact CG2-CD2 3.97Å; I299-L303 HydrophobicContact CG2-CG 4.11Å; H300-L303 HydrophobicContact CB-CB 4.43Å; H300-L303 WeakPolarHBondContact O-CB 3.32Å; H300-L303 PolarHBondContact O-N 2.82Å; P301-L303 VanDerWaalsContact C-N 3.31Å; P301-L303 PolarHBondContact O-N 3.37Å; L303-Q305 VanDerWaalsContact C-N 3.32Å; L303-Q305 PolarHBondContact O-N 2.94Å; L303-Y306 PolarHBondContact O-N 3.5Å; L303-L307 HydrophobicContact CD1-CD1 4.04Å; L303-L307 HydrophobicContact CD1-CG 4.06Å; L303-L307 HydrophobicContact CG-CD1 4.02Å; L303-L307 HydrophobicContact CG-CG 4.47Å; L303-L307 WeakPolarHBondContact O-CB 3.46Å; L303-L307 VanDerWaalsContact O-CG 3.31Å; L303-L307 WeakPolarHBondContact O-CG 3.14Å; L303-L307 PolarHBondContact O-N 3.44Å
304K91.9Very high92.4Very high36 Ų3649 Ų4916%0.15724%0.244CC..Hα-helixtrans-58.5-44.8173.4-68.3-172.5179.4-175.10111.7I299 H300 P301 L307 K308 D316I299-K304 HydrophobicContact CB-CD 4.4Å; I299-K304 HydrophobicContact CB-CG 3.88Å; I299-K304 HydrophobicContact CG2-CG 3.63Å; I299-K304 WeakPolarHBondContact O-CE 3.49Å; H300-K304 PolarHBondContact O-N 3.32Å; P301-K304 WeakPolarHBondContact O-CB 3.49Å; P301-K304 PolarHBondContact O-N 3.41Å; K304-L307 PolarHBondContact O-N 3.18Å; K304-K308 VanDerWaalsContact O-CB 3.28Å; K304-K308 WeakPolarHBondContact O-CB 3.13Å; K304-K308 PolarHBondContact O-N 3.5Å; K304-D316 VanDerWaalsContact CE-CG 3.43Å; K304-D316 WeakPolarHBondContact CE-OD2 3.24Å; K304-D316 IonicContact NZ-OD1 2.74Å; K304-D316 PolarHBondContact NZ-OD1 3.47Å; K304-D316 IonicContact NZ-OD2 3.74Å; K304-D316 PolarHBondContact NZ-OD2 3.22Å
305Q91.3Very high92.2Very high121 Ų12149.2 Ų49.257%0.56525%0.245SC*.Hα-helixtrans-62.1-49.1178-179.6175.1-14.500111.2P301 S302 L303 L307 K308 E309P301-Q305 PolarHBondContact O-N 2.96Å; S302-Q305 PolarHBondContact O-N 3.11Å; L303-Q305 VanDerWaalsContact C-N 3.32Å; L303-Q305 PolarHBondContact O-N 2.94Å; Q305-L307 VanDerWaalsContact C-N 3.34Å; Q305-L307 PolarHBondContact O-N 3.26Å; Q305-K308 PolarHBondContact O-N 3.29Å; Q305-E309 WeakPolarHBondContact CG-OE1 3.47Å; Q305-E309 PolarHBondContact NE2-OE1 3.2Å; Q305-E309 WeakPolarHBondContact O-CG 3.49Å; Q305-E309 PolarHBondContact O-N 2.91Å
306Y94.4Very high92.1Very high57 Ų5750 Ų5022%0.22425%0.25CC..Hα-helixtrans-56.7-46.3176.8176.4-95.3000112.2L279 K283 V286 S302 L303 E309 N310L279-Y306 HydrophobicContact CD2-CD2 4.48Å; L279-Y306 HydrophobicContact CD2-CG 4.09Å; K283-Y306 HydrophobicContact CG-CE1 4.31Å; K283-Y306 VanDerWaalsContact CG-OH 3.27Å; K283-Y306 WeakPolarHBondContact CG-OH 3.42Å; V286-Y306 HydrophobicContact CG2-CE1 4.07Å; S302-Y306 WeakPolarHBondContact O-CB 3.38Å; S302-Y306 PolarHBondContact O-N 3.24Å; L303-Y306 PolarHBondContact O-N 3.5Å; Y306-E309 PolarHBondContact O-N 2.91Å; Y306-N310 PolarHBondContact O-N 2.76Å; Y306-N310 PolarHBondContact O-ND2 3.43Å
307L92.9Very high92Very high0 Ų056.5 Ų56.50%027%0.273CS..Hα-helixtrans-64.1-40.8177.9-73.4174.5000112V286 V293 L303 K304 Q305 N310 H311 V312 T314V286-L307 HydrophobicContact CG2-CD2 4.13Å; V293-L307 HydrophobicContact CG2-CD1 4.32Å; L303-L307 HydrophobicContact CD1-CD1 4.04Å; L303-L307 HydrophobicContact CD1-CG 4.06Å; L303-L307 HydrophobicContact CG-CD1 4.02Å; L303-L307 HydrophobicContact CG-CG 4.47Å; L303-L307 WeakPolarHBondContact O-CB 3.46Å; L303-L307 VanDerWaalsContact O-CG 3.31Å; L303-L307 WeakPolarHBondContact O-CG 3.14Å; L303-L307 PolarHBondContact O-N 3.44Å; K304-L307 PolarHBondContact O-N 3.18Å; Q305-L307 VanDerWaalsContact C-N 3.34Å; Q305-L307 PolarHBondContact O-N 3.26Å; L307-N310 CarbonylContact O-C 3.57Å; L307-N310 PolarHBondContact O-N 3.08Å; L307-N310 VanDerWaalsContact O-N 3.14Å; L307-H311 PolarHBondContact O-N 3.18Å; L307-V312 CarbonylContact C-O 3.52Å; L307-V312 HydrophobicContact CB-CB 4.06Å; L307-V312 HydrophobicContact CD2-CB 4.14Å; L307-V312 HydrophobicContact CD2-CG1 4.21Å; L307-V312 HydrophobicContact CD2-CG2 4.28Å; L307-V312 WeakPolarHBondContact O-CB 3.32Å; L307-V312 PolarHBondContact O-N 3.48Å; L307-T314 HydrophobicContact CB-CG2 3.85Å; L307-T314 HydrophobicContact CD1-CG2 3.53Å; L307-T314 HydrophobicContact CG-CG2 4.35Å
308K90Very high92Very high110 Ų11052.5 Ų52.548%0.47826%0.257SS..Hα-helixtrans-63.4-42.8177.1-177.2176.3-179.2173.20112.4K304 Q305 N310 H311K304-K308 VanDerWaalsContact O-CB 3.28Å; K304-K308 WeakPolarHBondContact O-CB 3.13Å; K304-K308 PolarHBondContact O-N 3.5Å; Q305-K308 PolarHBondContact O-N 3.29Å; K308-N310 PolarHBondContact O-N 3.38Å; K308-H311 PolarHBondContact O-N 2.97Å; K308-H311 VanDerWaalsContact O-N 3.07Å
309E91.2Very high91.9Very high121 Ų12151.8 Ų51.857%0.56526%0.258SS*.Hα-helixtrans-61.4-25.4175.1-72.8169.9-172.800112.2Q305 Y306Q305-E309 WeakPolarHBondContact CG-OE1 3.47Å; Q305-E309 PolarHBondContact NE2-OE1 3.2Å; Q305-E309 WeakPolarHBondContact O-CG 3.49Å; Q305-E309 PolarHBondContact O-N 2.91Å; Y306-E309 PolarHBondContact O-N 2.91Å
310N91.2Very high91.9Very high53 Ų5357.9 Ų57.928%0.28329%0.29SS..THydrogen-bonded Turntrans-98.818.4176.2-70.8-83.8000113.7V286 Y306 L307 K308 V312V286-N310 HydrophobicContact CG1-CB 4.07Å; V286-N310 HydrophobicContact CG2-CB 3.67Å; Y306-N310 PolarHBondContact O-N 2.76Å; Y306-N310 PolarHBondContact O-ND2 3.43Å; L307-N310 CarbonylContact O-C 3.57Å; L307-N310 PolarHBondContact O-N 3.08Å; L307-N310 VanDerWaalsContact O-N 3.14Å; K308-N310 PolarHBondContact O-N 3.38Å; N310-V312 VanDerWaalsContact C-N 3.29Å; N310-V312 PolarHBondContact O-N 3.27Å
311H89.5Confident91.8Very high105 Ų10559.9 Ų59.949%0.48631%0.31SS..THydrogen-bonded Turntrans59.731.2178.8-54.2-73.7000115.2S232 K234 L307 K308S232-H311 PolarHBondContact OG-ND1 3.16Å; S232-H311 VanDerWaalsContact OG-ND1 3.16Å; K234-H311 PolarHBondContact N-O 2.75Å; L307-H311 PolarHBondContact O-N 3.18Å; K308-H311 PolarHBondContact O-N 2.97Å; K308-H311 VanDerWaalsContact O-N 3.07Å
312V91.5Very high91.8Very high3 Ų356.6 Ų56.62%0.01829%0.287CS..  trans-102121.6172.4-173.50000109.2V286 I290 V293 L307 N310V286-V312 HydrophobicContact CG2-CG2 4.13Å; I290-V312 HydrophobicContact CG2-CG1 4.35Å; I290-V312 VanDerWaalsContact O-CG2 3.3Å; I290-V312 WeakPolarHBondContact O-CG2 3.29Å; V293-V312 HydrophobicContact CG2-CG1 3.77Å; L307-V312 CarbonylContact C-O 3.52Å; L307-V312 HydrophobicContact CB-CB 4.06Å; L307-V312 HydrophobicContact CD2-CB 4.14Å; L307-V312 HydrophobicContact CD2-CG1 4.21Å; L307-V312 HydrophobicContact CD2-CG2 4.28Å; L307-V312 WeakPolarHBondContact O-CB 3.32Å; L307-V312 PolarHBondContact O-N 3.48Å; N310-V312 VanDerWaalsContact C-N 3.29Å; N310-V312 PolarHBondContact O-N 3.27Å
313V90.4Very high91.8Very high17 Ų1754.9 Ų54.910%0.10327%0.273CS..EExtended strand (participates in β ladder)trans-77.3136.7176.9179.50000109.3L231 V233 G291 L292 V293L231-V313 HydrophobicContact CB-CG2 4.46Å; L231-V313 HydrophobicContact CD2-CG1 4.32Å; L231-V313 HydrophobicContact CD2-CG2 3.98Å; V233-V313 HydrophobicContact CG1-CG2 4.48Å; V233-V313 HydrophobicContact CG2-CG2 3.77Å; G291-V313 PolarHBondContact O-N 3.25Å; L292-V313 CarbonylContact C-O 3.39Å; L292-V313 WeakPolarHBondContact CA-O 3.33Å; L292-V313 HydrophobicContact CD1-CB 3.87Å; L292-V313 HydrophobicContact CD1-CG1 3.78Å; V293-V313 PolarHBondContact N-O 3.11Å
314T92.1Very high91.7Very high30 Ų3060.7 Ų60.718%0.18430%0.3CS..EExtended strand (participates in β ladder)trans-118.9135.3176.861.80000110.3V293 L307V293-T314 HydrophobicContact CB-CG2 4.3Å; V293-T314 CarbonylContact O-C 3.55Å; V293-T314 WeakPolarHBondContact O-CA 3.38Å; L307-T314 HydrophobicContact CB-CG2 3.85Å; L307-T314 HydrophobicContact CD1-CG2 3.53Å; L307-T314 HydrophobicContact CG-CG2 4.35Å
315V92.6Very high91.7Very high4 Ų459 Ų592%0.02429%0.293CS..EExtended strand (participates in β ladder)trans-129.6122.5170.6-173.80000107.3L220 T222 L292 V293 V294 C295 V318 V363L220-V315 HydrophobicContact CB-CG1 4.05Å; L220-V315 HydrophobicContact CD1-CB 4.33Å; L220-V315 HydrophobicContact CD1-CG1 3.86Å; T222-V315 HydrophobicContact CG2-CG1 4.11Å; L292-V315 HydrophobicContact CD1-CG2 4.24Å; V293-V315 PolarHBondContact O-N 3.37Å; V294-V315 CarbonylContact C-O 3.59Å; V294-V315 WeakPolarHBondContact CA-O 2.86Å; C295-V315 PolarHBondContact N-O 2.93Å; V315-V318 HydrophobicContact CB-CG2 4.45Å; V315-V318 HydrophobicContact CG1-CG2 3.66Å; V315-V363 HydrophobicContact CG2-CB 4.29Å; V315-V363 HydrophobicContact CG2-CG1 4.25Å; V315-V363 HydrophobicContact CG2-CG2 4.16Å
316D92.8Very high91.8Very high17 Ų1753.3 Ų53.39%0.09127%0.267CS..  trans-122.2170.7-178.979-37.1000111.4C295 K297 I299 K304 V318C295-D316 HydrophobicContact CB-CB 4.3Å; C295-D316 CarbonylContact O-C 3.55Å; K297-D316 WeakPolarHBondContact O-CB 3.33Å; I299-D316 HydrophobicContact CB-CB 4.16Å; I299-D316 HydrophobicContact CD1-CB 3.85Å; I299-D316 HydrophobicContact CG1-CB 3.59Å; I299-D316 PolarHBondContact N-OD2 2.97Å; I299-D316 VanDerWaalsContact N-OD2 3.1Å; K304-D316 VanDerWaalsContact CE-CG 3.43Å; K304-D316 WeakPolarHBondContact CE-OD2 3.24Å; K304-D316 IonicContact NZ-OD1 2.74Å; K304-D316 PolarHBondContact NZ-OD1 3.47Å; K304-D316 IonicContact NZ-OD2 3.74Å; K304-D316 PolarHBondContact NZ-OD2 3.22Å; D316-V318 PolarHBondContact O-N 3.18Å
317R92.3Very high91.7Very high174 Ų17452.2 Ų52.266%0.65727%0.267SS*.  trans59.433.1-179.5-53.5174-177.7-122.4-2.3113.4C295 Q296 K297 V298 G319C295-R317 PolarHBondContact O-N 3.13Å; Q296-R317 CarbonylContact O-C 3.27Å; K297-R317 PolarHBondContact O-N 3.29Å; V298-R317 HydrophobicContact CG2-CG 4.09Å; R317-G319 PolarHBondContact O-N 3.48Å
318V91.6Very high91.5Very high20 Ų2056.3 Ų56.312%0.12129%0.286CS..  trans-70.2-20.1-176.9175.50000112.7L220 V294 C295 Q296 V315 D316 M322 L326L220-V318 HydrophobicContact CD1-CG1 4.48Å; L220-V318 HydrophobicContact CD1-CG2 4.19Å; L220-V318 HydrophobicContact CD2-CG1 3.89Å; V294-V318 HydrophobicContact CG1-CB 4.35Å; V294-V318 HydrophobicContact CG1-CG1 4.42Å; V294-V318 HydrophobicContact CG1-CG2 3.7Å; C295-V318 PolarHBondContact O-N 3.22Å; Q296-V318 PolarHBondContact O-N 2.85Å; V315-V318 HydrophobicContact CB-CG2 4.45Å; V315-V318 HydrophobicContact CG1-CG2 3.66Å; D316-V318 PolarHBondContact O-N 3.18Å; V318-M322 HydrophobicContact CG1-CB 3.4Å; V318-M322 HydrophobicContact CG1-CG 3.92Å; V318-M322 WeakPolarHBondContact O-CG 3.3Å; V318-L326 HydrophobicContact CG1-CD1 3.71Å
319G91.4Very high91.5Very high28 Ų2851.5 Ų51.529%0.28927%0.266SS..  trans79.1160.8176.800000113.5Q296 R317 S321Q296-G319 PolarHBondContact O-N 3.33Å; Q296-G319 VanDerWaalsContact O-N 3.14Å; R317-G319 PolarHBondContact O-N 3.48Å; G319-S321 PolarHBondContact O-N 3.31Å
320L92Very high91.5Very high129 Ų12946.1 Ų46.168%0.67524%0.241SC*.G310 helixtrans-66.2-37.5-172.2-178.662000112.9M322 M323L320-M322 PolarHBondContact O-N 3.32Å; L320-M322 VanDerWaalsContact O-N 3.11Å; L320-M323 PolarHBondContact O-N 3.25Å; L320-M323 VanDerWaalsContact O-N 3.16Å
321S90.9Very high91.5Very high93 Ų9346.4 Ų46.465%0.6526%0.257SS*.G310 helixtrans-62.5-20.9-175.254.80000114.1G319 P325G319-S321 PolarHBondContact O-N 3.31Å; S321-P325 WeakPolarHBondContact O-CD 3.4Å
322M91.5Very high91.6Very high22 Ų2241.5 Ų41.511%0.10823%0.234CC..G310 helixtrans-93.7-14.3-177.8-64.3-55.3-71.500113.2I200 L218 L220 V318 L320 P325 L326I200-M322 HydrophobicContact CG2-CE 4.15Å; I200-M322 HydrophobicContact CG2-SD 3.82Å; L218-M322 HydrophobicContact CD1-CE 4.49Å; L218-M322 HydrophobicContact CD2-CE 3.99Å; L220-M322 HydrophobicContact CD2-CE 3.69Å; V318-M322 HydrophobicContact CG1-CB 3.4Å; V318-M322 HydrophobicContact CG1-CG 3.92Å; V318-M322 WeakPolarHBondContact O-CG 3.3Å; L320-M322 PolarHBondContact O-N 3.32Å; L320-M322 VanDerWaalsContact O-N 3.11Å; M322-P325 WeakPolarHBondContact O-CD 3.29Å; M322-L326 HydrophobicContact CB-CD1 4.22Å; M322-L326 VanDerWaalsContact O-CB 3.31Å; M322-L326 WeakPolarHBondContact O-CB 3.24Å; M322-L326 WeakPolarHBondContact O-CD1 3.37Å; M322-L326 WeakPolarHBondContact O-CG 3.38Å; M322-L326 PolarHBondContact O-N 3.43Å
323M93.2Very high91.8Very high12 Ų1247.5 Ų47.56%0.05926%0.26CS..Hα-helixtrans-66.7-43.5-173.3-63.1-55.8-68.700112.9L245 F246 C247 Q296 L320 L326 S327 P334L245-M323 HydrophobicContact CD1-CE 3.44Å; L245-M323 VanDerWaalsContact CD1-CE 3.44Å; L245-M323 HydrophobicContact CD1-SD 3.92Å; L245-M323 HydrophobicContact CD2-CE 3.87Å; L245-M323 HydrophobicContact CG-CE 3.48Å; L245-M323 VanDerWaalsContact CG-CE 3.48Å; F246-M323 WeakPolarHBondContact O-CE 3.3Å; C247-M323 HydrophobicContact CB-CE 4.11Å; Q296-M323 HydrophobicContact CB-CE 4Å; Q296-M323 HydrophobicContact CB-CG 4.14Å; Q296-M323 HydrophobicContact CB-SD 3.57Å; Q296-M323 VanDerWaalsContact CB-SD 3.57Å; Q296-M323 HydrophobicContact CG-CG 3.9Å; Q296-M323 HydrophobicContact CG-SD 3.98Å; L320-M323 PolarHBondContact O-N 3.25Å; L320-M323 VanDerWaalsContact O-N 3.16Å; M323-L326 PolarHBondContact O-N 2.91Å; M323-S327 VanDerWaalsContact O-CB 3.31Å; M323-S327 WeakPolarHBondContact O-CB 3.4Å; M323-S327 PolarHBondContact O-N 3.49Å; M323-P334 HydrophobicContact CE-CB 4.43Å
324E91.7Very high92Very high122 Ų12249.5 Ų49.557%0.5727%0.273SS*.Hα-helixtrans-63.4-53.1175.6170-156.8-141.200111.2K198 L326 S327 Q328K198-E324 IonicContact NZ-OE2 3.94Å; K198-E324 PolarHBondContact NZ-OE2 2.83Å; E324-L326 VanDerWaalsContact C-N 3.29Å; E324-L326 PolarHBondContact O-N 3.22Å; E324-S327 PolarHBondContact O-N 3.29Å; E324-Q328 WeakPolarHBondContact O-CB 3.21Å; E324-Q328 PolarHBondContact O-N 2.62Å
325P91.3Very high92.1Very high0 Ų048.3 Ų48.30%027%0.266CS..Hα-helixtrans-55-40.8174.8-26.831.4000113.9K198 I200 L218 S321 M322 M329 V372K198-P325 HydrophobicContact CD-CG 4.24Å; I200-P325 HydrophobicContact CD1-CB 4.32Å; I200-P325 HydrophobicContact CD1-CG 3.7Å; I200-P325 HydrophobicContact CG1-CB 4.35Å; I200-P325 HydrophobicContact CG1-CG 4.24Å; L218-P325 HydrophobicContact CD1-CB 3.93Å; L218-P325 HydrophobicContact CD2-CB 4.2Å; S321-P325 WeakPolarHBondContact O-CD 3.4Å; M322-P325 WeakPolarHBondContact O-CD 3.29Å; P325-M329 WeakPolarHBondContact O-CB 3.46Å; P325-M329 PolarHBondContact O-N 3.22Å; P325-V372 HydrophobicContact CB-CG1 4.43Å
326L92.8Very high92Very high3 Ų351.6 Ų51.62%0.01629%0.294CS..Hα-helixtrans-65.6-45.5178.2-78.8165.5000111.9L218 L220 L245 V294 V318 M322 M323 E324 M329 T330 L365L218-L326 HydrophobicContact CD1-CB 4.48Å; L218-L326 HydrophobicContact CD1-CD2 3.67Å; L218-L326 HydrophobicContact CD1-CG 3.8Å; L220-L326 HydrophobicContact CD1-CD2 4.38Å; L245-L326 HydrophobicContact CD1-CB 4.33Å; L245-L326 HydrophobicContact CD1-CD1 4.06Å; L245-L326 HydrophobicContact CD2-CB 4.09Å; V294-L326 HydrophobicContact CG1-CD1 3.82Å; V318-L326 HydrophobicContact CG1-CD1 3.71Å; M322-L326 HydrophobicContact CB-CD1 4.22Å; M322-L326 VanDerWaalsContact O-CB 3.31Å; M322-L326 WeakPolarHBondContact O-CB 3.24Å; M322-L326 WeakPolarHBondContact O-CD1 3.37Å; M322-L326 WeakPolarHBondContact O-CG 3.38Å; M322-L326 PolarHBondContact O-N 3.43Å; M323-L326 PolarHBondContact O-N 2.91Å; E324-L326 VanDerWaalsContact C-N 3.29Å; E324-L326 PolarHBondContact O-N 3.22Å; L326-M329 HydrophobicContact CD2-CE 4.13Å; L326-M329 PolarHBondContact O-N 2.92Å; L326-T330 WeakPolarHBondContact O-CB 3.47Å; L326-T330 WeakPolarHBondContact O-CG2 3.25Å; L326-T330 PolarHBondContact O-N 2.85Å; L326-T330 PolarHBondContact O-OG1 3.49Å; L326-L365 HydrophobicContact CD2-CD1 3.46Å; L326-L365 VanDerWaalsContact CD2-CD1 3.46Å
327S92.1Very high91.8Very high33 Ų3352.7 Ų52.723%0.23130%0.302CS..Hα-helixtrans-61.7-46.4177178.40000111M323 E324 M329 G331 S332M323-S327 VanDerWaalsContact O-CB 3.31Å; M323-S327 WeakPolarHBondContact O-CB 3.4Å; M323-S327 PolarHBondContact O-N 3.49Å; E324-S327 PolarHBondContact O-N 3.29Å; S327-M329 PolarHBondContact O-N 3.26Å; S327-G331 VanDerWaalsContact O-CA 3.27Å; S327-G331 WeakPolarHBondContact O-CA 3.29Å; S327-G331 PolarHBondContact O-N 3.28Å; S327-S332 WeakPolarHBondContact CB-O 3.4Å; S327-S332 PolarHBondContact OG-O 2.71Å
328Q89.1Confident91.5Very high87 Ų8744.8 Ų44.841%0.40727%0.274SS..Hα-helixtrans-62.3-42.8176.8-172.4-178.211.300112.1E324E324-Q328 WeakPolarHBondContact O-CB 3.21Å; E324-Q328 PolarHBondContact O-N 2.62Å
329M90.6Very high91Very high9 Ų949.9 Ų49.94%0.04430%0.296CS..Hα-helixtrans-71.9-37.6-177.3-177.3-170.368.800112.8L218 P325 L326 S327 L349 L365 P367 T370 V372L218-M329 HydrophobicContact CB-CE 4.26Å; L218-M329 HydrophobicContact CB-SD 4.05Å; L218-M329 HydrophobicContact CD1-CE 3.86Å; L218-M329 HydrophobicContact CD1-SD 3.89Å; L218-M329 HydrophobicContact CG-CE 4.22Å; L218-M329 HydrophobicContact CG-SD 3.73Å; P325-M329 WeakPolarHBondContact O-CB 3.46Å; P325-M329 PolarHBondContact O-N 3.22Å; L326-M329 HydrophobicContact CD2-CE 4.13Å; L326-M329 PolarHBondContact O-N 2.92Å; S327-M329 PolarHBondContact O-N 3.26Å; M329-L349 HydrophobicContact CE-CD1 3.87Å; M329-L365 HydrophobicContact CE-CB 3.67Å; M329-L365 HydrophobicContact CE-CD1 3.86Å; M329-L365 HydrophobicContact CE-CG 4.45Å; M329-L365 HydrophobicContact SD-CB 4.42Å; M329-P367 HydrophobicContact CG-CB 3.77Å; M329-P367 HydrophobicContact CG-CG 4.38Å; M329-P367 HydrophobicContact SD-CB 4.29Å; M329-P367 HydrophobicContact SD-CG 4.45Å; M329-T370 HydrophobicContact CB-CG2 4.42Å; M329-T370 HydrophobicContact CG-CG2 3.98Å; M329-T370 WeakPolarHBondContact O-CG2 3.2Å; M329-V372 HydrophobicContact CB-CB 4.46Å; M329-V372 HydrophobicContact CB-CG2 4.34Å
330T91.1Very high90.4Very high7 Ų752.9 Ų52.94%0.04331%0.312CS..Hα-helixtrans-97.4-16.6-174.560.80000113.5V243 L326 S332 G347 S348 L349V243-T330 HydrophobicContact CB-CG2 4.44Å; V243-T330 HydrophobicContact CG1-CG2 4.36Å; V243-T330 HydrophobicContact CG2-CG2 4.3Å; L326-T330 WeakPolarHBondContact O-CB 3.47Å; L326-T330 WeakPolarHBondContact O-CG2 3.25Å; L326-T330 PolarHBondContact O-N 2.85Å; L326-T330 PolarHBondContact O-OG1 3.49Å; T330-S332 PolarHBondContact O-N 2.83Å; T330-S332 WeakPolarHBondContact OG1-CB 3.34Å; T330-S332 PolarHBondContact OG1-N 2.87Å; T330-S332 PolarHBondContact OG1-OG 2.94Å; T330-G347 CarbonylContact O-C 2.85Å; T330-G347 WeakPolarHBondContact O-CA 3.34Å; T330-S348 WeakPolarHBondContact CA-O 3.34Å; T330-S348 PolarHBondContact O-N 2.79Å; T330-L349 HydrophobicContact CG2-CD1 4.5Å
331G90.6Very high90.2Very high60 Ų6048 Ų4862%0.61929%0.286SS*.  trans71.17.3-168.400000114.1S327S327-G331 VanDerWaalsContact O-CA 3.27Å; S327-G331 WeakPolarHBondContact O-CA 3.29Å; S327-G331 PolarHBondContact O-N 3.28Å
332S92.3Very high90.1Very high1 Ų145.9 Ų45.91%0.00727%0.27CS..PPolyproline II helixtrans-72.8147.4179.358.60000111.7L245 S327 T330 C345L245-S332 WeakPolarHBondContact CB-OG 3.31Å; S327-S332 WeakPolarHBondContact CB-O 3.4Å; S327-S332 PolarHBondContact OG-O 2.71Å; T330-S332 PolarHBondContact O-N 2.83Å; T330-S332 WeakPolarHBondContact OG1-CB 3.34Å; T330-S332 PolarHBondContact OG1-N 2.87Å; T330-S332 PolarHBondContact OG1-OG 2.94Å; S332-C345 WeakPolarHBondContact CA-O 3.34Å; S332-C345 WeakPolarHBondContact CB-O 3.4Å
333K94.7Very high90Very high130 Ų13048.9 Ų48.957%0.56529%0.292SS*.PPolyproline II helixtrans-94.8122.4168.6-64179.1-178.6173.60108.4I335 C345K333-I335 PolarHBondContact O-N 3.2Å; K333-C345 HydrophobicContact CB-CB 4.36Å; K333-C345 PolarHBondContact N-O 3.37Å
334P94.4Very high89.9Confident59 Ų5952.2 Ų52.238%0.38332%0.316SS..PPolyproline II helixtrans-55.1124.8178.6-25.233.1000112L245 C247 M323L245-P334 HydrophobicContact CD2-CB 4.47Å; L245-P334 HydrophobicContact CD2-CG 4.04Å; C247-P334 HydrophobicContact CB-CB 4.47Å; M323-P334 HydrophobicContact CE-CB 4.43Å
335I94.8Very high89.9Confident5 Ų547.4 Ų47.43%0.02630%0.296CS..BIsolated β-bridgetrans-83.7115.9-178.9-61.6167.4000108.9A244 L245 F246 C247 K333 S337 F341 C345 Y346A244-I335 HydrophobicContact CB-CD1 4.44Å; L245-I335 WeakPolarHBondContact O-CB 3.42Å; L245-I335 PolarHBondContact O-N 3.5Å; F246-I335 HydrophobicContact CD1-CB 3.77Å; F246-I335 HydrophobicContact CD1-CD1 4.42Å; F246-I335 HydrophobicContact CD1-CG2 3.63Å; F246-I335 HydrophobicContact CD2-CD1 4.5Å; F246-I335 HydrophobicContact CE1-CB 3.96Å; F246-I335 HydrophobicContact CE1-CD1 4Å; F246-I335 HydrophobicContact CE1-CG2 3.51Å; F246-I335 HydrophobicContact CE2-CD1 4.08Å; F246-I335 HydrophobicContact CG-CB 4.27Å; F246-I335 HydrophobicContact CZ-CD1 3.81Å; F246-I335 HydrophobicContact CZ-CG2 4.39Å; C247-I335 PolarHBondContact N-O 3.47Å; C247-I335 PolarHBondContact SG-O 2.99Å; K333-I335 PolarHBondContact O-N 3.2Å; I335-S337 WeakPolarHBondContact CG2-O 3.49Å; I335-F341 HydrophobicContact CD1-CB 4.25Å; I335-F341 HydrophobicContact CD1-CD2 4.06Å; I335-F341 HydrophobicContact CD1-CG 4.17Å; I335-F341 HydrophobicContact CG1-CB 4.26Å; I335-F341 HydrophobicContact CG2-CB 3.66Å; I335-F341 HydrophobicContact CG2-CD1 4.08Å; I335-F341 HydrophobicContact CG2-CG 3.99Å; I335-C345 HydrophobicContact CD1-CB 4.22Å; I335-C345 HydrophobicContact CG1-CB 3.84Å; I335-Y346 HydrophobicContact CD1-CE1 4.29Å
336A90.9Very high90.1Very high73 Ų7348.8 Ų48.860%0.60330%0.301SS*.  trans-98.85.4-175.600000114.5C247 V248C247-A336 WeakPolarHBondContact SG-CA 3.47Å; V248-A336 WeakPolarHBondContact CG1-O 3.18Å
337S88.1Confident90.1Very high39 Ų3949 Ų4927%0.27330%0.304SS..  trans-148.8138.1176.2177.90000110.2I335 H339I335-S337 WeakPolarHBondContact CG2-O 3.49Å; S337-H339 PolarHBondContact OG-N 2.84Å
338V85.8Confident90.1Very high9 Ų949.8 Ų49.86%0.05531%0.31CS..SBendtrans-80.7-22.2173-67.10000112.3V248 M250 V281V248-V338 HydrophobicContact CG2-CG1 3.8Å; M250-V338 HydrophobicContact CG-CG1 3.8Å; M250-V338 HydrophobicContact SD-CG1 4.29Å; V281-V338 HydrophobicContact CG2-CB 4.34Å; V281-V338 WeakPolarHBondContact CG2-O 3.45Å
339H81.4Confident90.3Very high127 Ų12745.7 Ų45.759%0.58829%0.291SS*.SBendtrans-82-27.4-173.8-55.2-63.2000113.1Q277 S337Q277-H339 PolarHBondContact OE1-CE1 2.86Å; S337-H339 PolarHBondContact OG-N 2.84Å
340S80.2Confident90.3Very high91 Ų9150.2 Ų50.264%0.63631%0.31SS*.  trans-149.3119.9-17959.10000111.4
341F87.8Confident90.2Very high27 Ų2751.9 Ų51.912%0.11832%0.319CS..  trans-150.7153.1170.153.7-87.2000109.8F246 V281 L285 I335 Y346F246-F341 HydrophobicContact CE1-CD1 4.31Å; F246-F341 HydrophobicContact CE1-CE1 4.22Å; F246-F341 HydrophobicContact CZ-CE1 4.26Å; F246-F341 HydrophobicContact CZ-CE2 4.49Å; F246-F341 HydrophobicContact CZ-CZ 4.21Å; V281-F341 HydrophobicContact CG1-CE1 3.89Å; V281-F341 HydrophobicContact CG1-CZ 3.87Å; V281-F341 HydrophobicContact CG2-CE1 4.35Å; L285-F341 HydrophobicContact CD2-CE2 3.95Å; L285-F341 HydrophobicContact CD2-CZ 4.24Å; L285-F341 HydrophobicContact CG-CZ 4.47Å; I335-F341 HydrophobicContact CD1-CB 4.25Å; I335-F341 HydrophobicContact CD1-CD2 4.06Å; I335-F341 HydrophobicContact CD1-CG 4.17Å; I335-F341 HydrophobicContact CG1-CB 4.26Å; I335-F341 HydrophobicContact CG2-CB 3.66Å; I335-F341 HydrophobicContact CG2-CD1 4.08Å; I335-F341 HydrophobicContact CG2-CG 3.99Å; F341-Y346 HydrophobicContact CD2-CE1 4.2Å; F341-Y346 HydrophobicContact CE2-CE1 4.29Å; F341-Y346 VanDerWaalsContact CE2-OH 3.24Å; F341-Y346 WeakPolarHBondContact CE2-OH 3.43Å
342S88.2Confident90.1Very high47 Ų4749.5 Ų49.533%0.32929%0.292SS..  trans-107.6155.8-175.675.70000111.2S344 C345S342-S344 PolarHBondContact O-N 3.28Å; S342-S344 PolarHBondContact OG-N 2.93Å; S342-S344 PolarHBondContact OG-OG 3.35Å; S342-C345 WeakPolarHBondContact O-CB 3.1Å; S342-C345 PolarHBondContact O-N 3.36Å
343P88.1Confident89.9Confident86 Ų8651.6 Ų51.656%0.55831%0.306SS*.G310 helixtrans-58.4-19.5173.8-26.235.3000114.6C345 Y346P343-C345 PolarHBondContact O-N 3.33Å; P343-Y346 HydrophobicContact CB-CD2 4.17Å; P343-Y346 HydrophobicContact CB-CE2 4.01Å; P343-Y346 WeakPolarHBondContact O-CD2 3.32Å; P343-Y346 PolarHBondContact O-N 2.94Å
344S91.2Very high89.5Confident81 Ų8147.7 Ų47.757%0.56629%0.294SS*.G310 helixtrans-69.4-10.5175.977.20000114.1S342S342-S344 PolarHBondContact O-N 3.28Å; S342-S344 PolarHBondContact OG-N 2.93Å; S342-S344 PolarHBondContact OG-OG 3.35Å
345C93.1Very high89.1Confident22 Ų2248.5 Ų48.515%0.14929%0.292CS..G310 helixtrans-82.5-17.7176.6-59.70000112.9S332 K333 I335 S342 P343S332-C345 WeakPolarHBondContact CA-O 3.34Å; S332-C345 WeakPolarHBondContact CB-O 3.4Å; K333-C345 HydrophobicContact CB-CB 4.36Å; K333-C345 PolarHBondContact N-O 3.37Å; I335-C345 HydrophobicContact CD1-CB 4.22Å; I335-C345 HydrophobicContact CG1-CB 3.84Å; S342-C345 WeakPolarHBondContact O-CB 3.1Å; S342-C345 PolarHBondContact O-N 3.36Å; P343-C345 PolarHBondContact O-N 3.33Å
346Y94.5Very high88.7Confident28 Ų2852.1 Ų52.111%0.1132%0.318CS..  trans-74.1139.7-175-54.3-37.5000112V243 A244 L285 D288 I290 I335 F341 P343V243-Y346 CarbonylContact O-C 3.58Å; V243-Y346 WeakPolarHBondContact O-CA 3.2Å; A244-Y346 HydrophobicContact CB-CD1 3.94Å; A244-Y346 HydrophobicContact CB-CE1 4Å; L285-Y346 HydrophobicContact CD2-CE1 4.14Å; D288-Y346 HydrophobicContact CB-CE2 3.71Å; D288-Y346 VanDerWaalsContact OD2-CE2 3.28Å; D288-Y346 WeakPolarHBondContact OD2-CE2 3.48Å; D288-Y346 PolarHBondContact OD2-OH 2.86Å; I290-Y346 HydrophobicContact CD1-CD1 3.74Å; I290-Y346 HydrophobicContact CD1-CD2 3.68Å; I290-Y346 HydrophobicContact CD1-CE1 3.91Å; I290-Y346 HydrophobicContact CD1-CE2 3.83Å; I290-Y346 HydrophobicContact CD1-CG 3.62Å; I290-Y346 HydrophobicContact CG1-CE1 4.39Å; I335-Y346 HydrophobicContact CD1-CE1 4.29Å; F341-Y346 HydrophobicContact CD2-CE1 4.2Å; F341-Y346 HydrophobicContact CE2-CE1 4.29Å; F341-Y346 VanDerWaalsContact CE2-OH 3.24Å; F341-Y346 WeakPolarHBondContact CE2-OH 3.43Å; P343-Y346 HydrophobicContact CB-CD2 4.17Å; P343-Y346 HydrophobicContact CB-CE2 4.01Å; P343-Y346 WeakPolarHBondContact O-CD2 3.32Å; P343-Y346 PolarHBondContact O-N 2.94Å
347G93.6Very high88.3Confident8 Ų850.2 Ų50.28%0.08230%0.296CS..EExtended strand (participates in β ladder)trans-98.7-175.9172.300000111.9K242 V243 T330K242-G347 WeakPolarHBondContact CA-O 3.49Å; V243-G347 PolarHBondContact N-O 2.64Å; V243-G347 PolarHBondContact O-N 3.15Å; T330-G347 CarbonylContact O-C 2.85Å; T330-G347 WeakPolarHBondContact O-CA 3.34Å
348S92.2Very high88Confident50 Ų5051.2 Ų51.235%0.3531%0.307SS..EExtended strand (participates in β ladder)trans-133.3152.8176.269.20000111.6I241 T330I241-S348 CarbonylContact O-C 3.55Å; I241-S348 WeakPolarHBondContact O-CA 3.36Å; T330-S348 WeakPolarHBondContact CA-O 3.34Å; T330-S348 PolarHBondContact O-N 2.79Å
349L91.9Very high87.8Confident0 Ų055.9 Ų55.90%034%0.34CS..EExtended strand (participates in β ladder)trans-141.6148.6178.3-169.569.2000109.4I241 V243 L292 M329 T330 D351 V352 L365 I366I241-L349 HydrophobicContact CB-CB 4.38Å; I241-L349 PolarHBondContact N-O 3.08Å; I241-L349 PolarHBondContact O-N 2.92Å; V243-L349 HydrophobicContact CG2-CB 3.75Å; L292-L349 HydrophobicContact CD2-CD2 4.13Å; M329-L349 HydrophobicContact CE-CD1 3.87Å; T330-L349 HydrophobicContact CG2-CD1 4.5Å; L349-D351 WeakPolarHBondContact CD2-O 3.49Å; L349-V352 HydrophobicContact CD2-CG2 3.4Å; L349-V352 VanDerWaalsContact CD2-CG2 3.4Å; L349-L365 HydrophobicContact CD1-CB 4.23Å; L349-L365 HydrophobicContact CD2-CB 3.87Å; L349-L365 HydrophobicContact CD2-CD2 3.81Å; L349-L365 HydrophobicContact CD2-CG 4.35Å; L349-I366 WeakPolarHBondContact CD1-O 3.33Å; L349-I366 VanDerWaalsContact CG-O 3.29Å; L349-I366 WeakPolarHBondContact CG-O 3.44Å
350K90.8Very high88Confident104 Ų10452.9 Ų52.945%0.45233%0.325SS..SBendtrans-73-53.3-179.9-171.4178.6174.3178.50110.9N239 I366 P367 N368N239-K350 VanDerWaalsContact O-O 3.12Å; K350-I366 HydrophobicContact CB-CG2 4.49Å; K350-I366 VanDerWaalsContact CB-O 3.23Å; K350-I366 WeakPolarHBondContact CB-O 3.43Å; K350-I366 HydrophobicContact CD-CG2 4.37Å; K350-I366 PolarHBondContact N-O 3.37Å; K350-P367 WeakPolarHBondContact CB-O 3.37Å; K350-N368 WeakPolarHBondContact CA-OD1 3.49Å; K350-N368 WeakPolarHBondContact CB-OD1 3.27Å
351D89.6Confident88.4Confident43 Ų4351.4 Ų51.423%0.2331%0.308CS..EExtended strand (participates in β ladder)trans-155.3163.7-177.2-152.34.7000112.4R235 L349 I366R235-D351 IonicContact CZ-OD1 3.84Å; R235-D351 IonicContact NH2-OD1 3.68Å; R235-D351 PolarHBondContact NH2-OD1 3.1Å; R235-D351 IonicContact NH2-OD2 2.71Å; L349-D351 WeakPolarHBondContact CD2-O 3.49Å; D351-I366 HydrophobicContact CB-CB 4.19Å; D351-I366 HydrophobicContact CB-CD1 4.28Å; D351-I366 PolarHBondContact N-O 3.16Å; D351-I366 WeakPolarHBondContact O-CB 3.48Å; D351-I366 PolarHBondContact O-N 3.39Å
352V89.4Confident88.5Confident9 Ų950.2 Ų50.26%0.05530%0.303CS..EExtended strand (participates in β ladder)trans-132.9124.6175.2179.60000108.8L231 V233 I241 L292 L349 V363 H364 L365L231-V352 HydrophobicContact CD1-CG1 3.7Å; V233-V352 HydrophobicContact CG2-CB 4.42Å; I241-V352 HydrophobicContact CD1-CB 4.25Å; I241-V352 HydrophobicContact CD1-CG2 3.77Å; L292-V352 HydrophobicContact CD2-CG2 4.19Å; L349-V352 HydrophobicContact CD2-CG2 3.4Å; L349-V352 VanDerWaalsContact CD2-CG2 3.4Å; V352-V363 HydrophobicContact CG1-CG1 3.45Å; V352-V363 VanDerWaalsContact CG1-CG1 3.45Å; V352-H364 WeakPolarHBondContact CA-O 2.9Å; V352-L365 HydrophobicContact CG1-CD2 4.16Å; V352-L365 HydrophobicContact CG2-CD2 3.9Å
353C87.4Confident88.6Confident45 Ų4548.1 Ų48.130%0.30429%0.288SS..EExtended strand (participates in β ladder)trans-120.4161.5177.8-700000111H364 I366C353-H364 HydrophobicContact CB-CB 4.33Å; C353-H364 PolarHBondContact N-O 3.01Å; C353-H364 PolarHBondContact O-N 2.9Å; C353-I366 HydrophobicContact CB-CD1 4.48Å
354T86.5Confident88.8Confident49 Ų4944.5 Ų44.530%0.30126%0.264SS..EExtended strand (participates in β ladder)trans-102.7127.3169.946.40000109.4L227 L231 F362L227-T354 HydrophobicContact CB-CG2 4.04Å; L227-T354 HydrophobicContact CD1-CG2 4.39Å; L227-T354 HydrophobicContact CD2-CG2 3.45Å; L227-T354 VanDerWaalsContact CD2-CG2 3.45Å; L227-T354 HydrophobicContact CG-CG2 4.15Å; L231-T354 HydrophobicContact CD1-CG2 3.47Å; L231-T354 VanDerWaalsContact CD1-CG2 3.47Å; L231-T354 HydrophobicContact CD2-CG2 4.34Å; L231-T354 HydrophobicContact CG-CG2 3.59Å; T354-F362 WeakPolarHBondContact CA-O 3.38Å
355E86.1Confident88.9Confident75 Ų7540.7 Ų40.735%0.3524%0.237SC..EExtended strand (participates in β ladder)trans-116.4134.2175.8-72.2-65166.900108.5F215 F362 H364F215-E355 HydrophobicContact CE1-CG 4.43Å; E355-F362 HydrophobicContact CB-CB 4.34Å; E355-F362 PolarHBondContact N-O 3.38Å; E355-F362 PolarHBondContact O-N 3.14Å; E355-H364 HydrophobicContact CG-CB 3.92Å
356S84.9Confident88.8Confident82 Ų8241.5 Ų41.557%0.57324%0.239SC*.EExtended strand (participates in β ladder)trans-116.9125.9173.862.20000109K360S356-K360 WeakPolarHBondContact CA-O 3.35Å
357F83.8Confident88.4Confident33 Ų3340.9 Ų40.915%0.14524%0.239CC..EExtended strand (participates in β ladder)trans-132.3121.5177.7-167-87.8000109.9V204 R207 D211 S359 K360 F362 M376V204-F357 HydrophobicContact CG1-CD1 3.92Å; V204-F357 HydrophobicContact CG1-CE1 3.75Å; V204-F357 HydrophobicContact CG2-CD1 4.34Å; R207-F357 HydrophobicContact CG-CE1 4.28Å; D211-F357 HydrophobicContact CB-CZ 3.95Å; D211-F357 WeakPolarHBondContact O-CZ 3.37Å; F357-S359 PolarHBondContact O-N 2.95Å; F357-K360 PolarHBondContact N-O 3.37Å; F357-K360 PolarHBondContact O-N 3.19Å; F357-F362 HydrophobicContact CB-CE2 4.13Å; F357-M376 HydrophobicContact CB-CE 3.54Å; F357-M376 HydrophobicContact CD1-CE 3.75Å; F357-M376 HydrophobicContact CD2-CE 4.02Å; F357-M376 HydrophobicContact CE1-CE 4.45Å; F357-M376 HydrophobicContact CG-CE 3.49Å; F357-M376 VanDerWaalsContact CG-CE 3.49Å
358A81.4Confident87.7Confident59 Ų5944.5 Ų44.549%0.48826%0.256SS..THydrogen-bonded Turntrans54.7-116.5-170.300000111.4
359S82.1Confident86.8Confident108 Ų10848.1 Ų48.176%0.75527%0.272SS*.THydrogen-bonded Turntrans-103.26.9177.562.40000113.4F357F357-S359 PolarHBondContact O-N 2.95Å
360K85.9Confident85.5Confident64 Ų6449.9 Ų49.928%0.27828%0.283SS..EExtended strand (participates in β ladder)trans-106.2145-177.2-67.5-173.7166.9-149.70110.8E221 S356 F357 F362E221-K360 VanDerWaalsContact CD-NZ 3.29Å; E221-K360 VanDerWaalsContact OE1-CD 3.32Å; E221-K360 WeakPolarHBondContact OE1-CD 3.39Å; E221-K360 WeakPolarHBondContact OE1-CE 3.44Å; E221-K360 IonicContact OE1-NZ 3.36Å; E221-K360 PolarHBondContact OE1-NZ 3.26Å; E221-K360 IonicContact OE2-NZ 2.69Å; E221-K360 PolarHBondContact OE2-NZ 2.91Å; S356-K360 WeakPolarHBondContact CA-O 3.35Å; F357-K360 PolarHBondContact N-O 3.37Å; F357-K360 PolarHBondContact O-N 3.19Å; K360-F362 HydrophobicContact CB-CD2 4.46Å; K360-F362 HydrophobicContact CB-CE2 3.58Å; K360-F362 HydrophobicContact CB-CZ 3.78Å; K360-F362 HydrophobicContact CD-CZ 3.96Å
361H87Confident85.2Confident59 Ų5946.9 Ų46.927%0.27327%0.271SS..EExtended strand (participates in β ladder)trans-113.3137.1175-62.8-73.5000109.8T222 L227T222-H361 PolarHBondContact N-O 3.25Å; T222-H361 PolarHBondContact OG1-O 3.13Å; L227-H361 HydrophobicContact CD1-CB 4Å
362F90.3Very high85.2Confident2 Ų245 Ų451%0.00926%0.261CS..EExtended strand (participates in β ladder)trans-126.8141.9-178.2-59.4-86.9000110V202 L219 L220 E221 T354 E355 F357 K360 M376V202-F362 HydrophobicContact CG1-CE1 3.66Å; V202-F362 HydrophobicContact CG1-CZ 4.08Å; L219-F362 HydrophobicContact CB-CB 4.49Å; L219-F362 HydrophobicContact CB-CD1 4.26Å; L219-F362 HydrophobicContact CD2-CB 4.28Å; L220-F362 CarbonylContact O-C 3.54Å; L220-F362 VanDerWaalsContact O-CA 3.25Å; L220-F362 WeakPolarHBondContact O-CA 3.03Å; E221-F362 HydrophobicContact CB-CD1 4Å; E221-F362 HydrophobicContact CB-CE1 3.8Å; E221-F362 HydrophobicContact CG-CE1 4.15Å; T354-F362 WeakPolarHBondContact CA-O 3.38Å; E355-F362 HydrophobicContact CB-CB 4.34Å; E355-F362 PolarHBondContact N-O 3.38Å; E355-F362 PolarHBondContact O-N 3.14Å; F357-F362 HydrophobicContact CB-CE2 4.13Å; K360-F362 HydrophobicContact CB-CD2 4.46Å; K360-F362 HydrophobicContact CB-CE2 3.58Å; K360-F362 HydrophobicContact CB-CZ 3.78Å; K360-F362 HydrophobicContact CD-CZ 3.96Å; F362-M376 HydrophobicContact CD2-CE 4.47Å; F362-M376 HydrophobicContact CE2-CE 3.87Å; F362-M376 HydrophobicContact CZ-CE 4.19Å
363V91.4Very high85.4Confident3 Ų344.6 Ų44.62%0.01826%0.259CS..EExtended strand (participates in β ladder)trans-93.2112.7163.7177.20000107L220 T222 V315 V352 L365L220-V363 PolarHBondContact N-O 3.2Å; L220-V363 PolarHBondContact O-N 3.25Å; T222-V363 HydrophobicContact CG2-CB 4.33Å; T222-V363 HydrophobicContact CG2-CG2 3.55Å; V315-V363 HydrophobicContact CG2-CB 4.29Å; V315-V363 HydrophobicContact CG2-CG1 4.25Å; V315-V363 HydrophobicContact CG2-CG2 4.16Å; V352-V363 HydrophobicContact CG1-CG1 3.45Å; V352-V363 VanDerWaalsContact CG1-CG1 3.45Å; V363-L365 HydrophobicContact CG1-CD2 3.82Å
364H92.6Very high85.8Confident11 Ų1142.4 Ų42.45%0.05124%0.244CC..EExtended strand (participates in β ladder)trans-90113.3178.9-177.6-155.1000110.1P216 L219 V352 C353 E355P216-H364 PolarHBondContact O-NE2 2.92Å; L219-H364 HydrophobicContact CD2-CB 3.63Å; V352-H364 WeakPolarHBondContact CA-O 2.9Å; C353-H364 HydrophobicContact CB-CB 4.33Å; C353-H364 PolarHBondContact N-O 3.01Å; C353-H364 PolarHBondContact O-N 2.9Å; E355-H364 HydrophobicContact CG-CB 3.92Å
365L92.7Very high86.3Confident1 Ų140.1 Ų40.11%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-92.7113.1178.2-54.5-174.8000109.3G217 L218 L220 L292 L326 M329 L349 V352 V363 P367G217-L365 WeakPolarHBondContact CA-O 3.24Å; L218-L365 HydrophobicContact CB-CB 4.41Å; L218-L365 PolarHBondContact N-O 3.3Å; L218-L365 VanDerWaalsContact N-O 3.12Å; L218-L365 PolarHBondContact O-N 2.9Å; L220-L365 HydrophobicContact CD1-CD1 3.69Å; L220-L365 HydrophobicContact CD1-CG 4.36Å; L220-L365 HydrophobicContact CG-CD1 4.14Å; L292-L365 HydrophobicContact CD2-CD1 4.46Å; L292-L365 HydrophobicContact CD2-CD2 3.56Å; L326-L365 HydrophobicContact CD2-CD1 3.46Å; L326-L365 VanDerWaalsContact CD2-CD1 3.46Å; M329-L365 HydrophobicContact CE-CB 3.67Å; M329-L365 HydrophobicContact CE-CD1 3.86Å; M329-L365 HydrophobicContact CE-CG 4.45Å; M329-L365 HydrophobicContact SD-CB 4.42Å; L349-L365 HydrophobicContact CD1-CB 4.23Å; L349-L365 HydrophobicContact CD2-CB 3.87Å; L349-L365 HydrophobicContact CD2-CD2 3.81Å; L349-L365 HydrophobicContact CD2-CG 4.35Å; V352-L365 HydrophobicContact CG1-CD2 4.16Å; V352-L365 HydrophobicContact CG2-CD2 3.9Å; V363-L365 HydrophobicContact CG1-CD2 3.82Å; L365-P367 WeakPolarHBondContact O-CD 3.43Å
366I90.2Very high86.7Confident39 Ų3936.6 Ų36.620%0.221%0.214CC..EExtended strand (participates in β ladder)trans-98.4114-176.6-58.6174.6000109.3L349 K350 D351 C353L349-I366 WeakPolarHBondContact CD1-O 3.33Å; L349-I366 VanDerWaalsContact CG-O 3.29Å; L349-I366 WeakPolarHBondContact CG-O 3.44Å; K350-I366 HydrophobicContact CB-CG2 4.49Å; K350-I366 VanDerWaalsContact CB-O 3.23Å; K350-I366 WeakPolarHBondContact CB-O 3.43Å; K350-I366 HydrophobicContact CD-CG2 4.37Å; K350-I366 PolarHBondContact N-O 3.37Å; D351-I366 HydrophobicContact CB-CB 4.19Å; D351-I366 HydrophobicContact CB-CD1 4.28Å; D351-I366 PolarHBondContact N-O 3.16Å; D351-I366 WeakPolarHBondContact O-CB 3.48Å; D351-I366 PolarHBondContact O-N 3.39Å; C353-I366 HydrophobicContact CB-CD1 4.48Å
367P86.8Confident87.2Confident15 Ų1532.7 Ų32.710%0.09719%0.186CC..  trans-73.1163-179.827.6-33.9000113.4G217 M329 K350 L365 T370G217-P367 VanDerWaalsContact CA-CD 3.42Å; M329-P367 HydrophobicContact CG-CB 3.77Å; M329-P367 HydrophobicContact CG-CG 4.38Å; M329-P367 HydrophobicContact SD-CB 4.29Å; M329-P367 HydrophobicContact SD-CG 4.45Å; K350-P367 WeakPolarHBondContact CB-O 3.37Å; L365-P367 WeakPolarHBondContact O-CD 3.43Å; P367-T370 HydrophobicContact CB-CG2 3.51Å; P367-T370 WeakPolarHBondContact CB-OG1 3.39Å; P367-T370 HydrophobicContact CG-CG2 4.4Å; P367-T370 WeakPolarHBondContact CG-OG1 3.23Å
368N78Confident87.7Confident84 Ų8431.1 Ų31.145%0.44918%0.179SC..SBendtrans-73.9-57.5171.6-80.1-38.6000111.3K350K350-N368 WeakPolarHBondContact CA-OD1 3.49Å; K350-N368 WeakPolarHBondContact CB-OD1 3.27Å
369D73.6Confident88.2Confident125 Ų12528.5 Ų28.567%0.66816%0.157SC*.SBendtrans-152.8103.6176.3-172.221.7000107.4
370T65.8Low88.6Confident38 Ų3829.2 Ų29.223%0.23314%0.143CC..  trans-150162.8-178.669.50000112.8M329 P367 V372M329-T370 HydrophobicContact CB-CG2 4.42Å; M329-T370 HydrophobicContact CG-CG2 3.98Å; M329-T370 WeakPolarHBondContact O-CG2 3.2Å; P367-T370 HydrophobicContact CB-CG2 3.51Å; P367-T370 WeakPolarHBondContact CB-OG1 3.39Å; P367-T370 HydrophobicContact CG-CG2 4.4Å; P367-T370 WeakPolarHBondContact CG-OG1 3.23Å; T370-V372 VanDerWaalsContact C-N 3.33Å
371L83.4Confident88.7Confident41 Ų4129.2 Ų29.222%0.21515%0.146CC..SBendtrans-97.718.1179.7-48.7172.7000111.9L184 T185 P187 V195 G197 K198L184-L371 WeakPolarHBondContact O-CA 3.45Å; T185-L371 WeakPolarHBondContact CA-O 3.49Å; P187-L371 HydrophobicContact CB-CD1 4.15Å; P187-L371 HydrophobicContact CB-CD2 4.28Å; P187-L371 HydrophobicContact CG-CD1 3.6Å; P187-L371 HydrophobicContact CG-CD2 4.33Å; V195-L371 WeakPolarHBondContact O-CD1 3.16Å; G197-L371 CarbonylContact C-O 3.54Å; G197-L371 WeakPolarHBondContact CA-O 3.33Å; K198-L371 PolarHBondContact N-O 2.91Å
372V90.4Very high88.4Confident3 Ų331.6 Ų31.62%0.01816%0.157CC..EExtended strand (participates in β ladder)trans-107.5128.4-177.1-176.60000108.7K198 G217 L218 P325 M329 T370K198-V372 WeakPolarHBondContact O-CA 3.25Å; G217-V372 VanDerWaalsContact CA-O 3.3Å; G217-V372 WeakPolarHBondContact CA-O 3.4Å; G217-V372 PolarHBondContact N-O 3.4Å; L218-V372 HydrophobicContact CD1-CG1 4.34Å; L218-V372 HydrophobicContact CD2-CG1 3.46Å; L218-V372 VanDerWaalsContact CD2-CG1 3.46Å; L218-V372 HydrophobicContact CG-CG1 3.78Å; P325-V372 HydrophobicContact CB-CG1 4.43Å; M329-V372 HydrophobicContact CB-CB 4.46Å; M329-V372 HydrophobicContact CB-CG2 4.34Å; T370-V372 VanDerWaalsContact C-N 3.33Å
373C93.6Very high87.9Confident0 Ų034.6 Ų34.60%018%0.176CC..EExtended strand (participates in β ladder)trans-136.3162.6174.5660000111.1L184 K198 C199 I200 F215 G217L184-C373 HydrophobicContact CB-CB 4.08Å; L184-C373 HydrophobicContact CD1-CB 3.95Å; K198-C373 PolarHBondContact O-N 3.24Å; C199-C373 CarbonylContact C-O 3.5Å; C199-C373 WeakPolarHBondContact CA-O 3.47Å; I200-C373 PolarHBondContact N-O 2.97Å; F215-C373 WeakPolarHBondContact O-CA 3.47Å; F215-C373 VanDerWaalsContact O-CB 3.3Å; F215-C373 WeakPolarHBondContact O-CB 3.35Å; G217-C373 CarbonylContact O-C 3.58Å; G217-C373 WeakPolarHBondContact O-CA 3.39Å
374C94.9Very high87.7Confident0 Ų034.9 Ų34.90%018%0.178CC..EExtended strand (participates in β ladder)trans-112.5132.5171.6-850000110.5I200 V202 V214 F215 G217 L219I200-C374 CarbonylContact O-C 3.54Å; I200-C374 VanDerWaalsContact O-CA 3.25Å; I200-C374 WeakPolarHBondContact O-CA 3.02Å; V202-C374 HydrophobicContact CG2-CB 4.19Å; V214-C374 WeakPolarHBondContact CA-O 3.48Å; F215-C374 PolarHBondContact N-O 3.22Å; F215-C374 PolarHBondContact O-N 2.88Å; G217-C374 PolarHBondContact O-N 3.42Å; G217-C374 VanDerWaalsContact O-N 3.1Å; L219-C374 HydrophobicContact CB-CB 4.31Å; L219-C374 HydrophobicContact CD1-CB 4.03Å; L219-C374 HydrophobicContact CG-CB 4.01Å; L219-C374 PolarHBondContact N-SG 2.88Å
375L96.4Very high87.7Confident0 Ų035 Ų350%018%0.178CC..EExtended strand (participates in β ladder)trans-101.3113.116517467.3000108.8L177 I200 I201 V202 V214 L377 Y392L177-L375 HydrophobicContact CB-CD1 4.49Å; L177-L375 HydrophobicContact CD1-CD1 4.42Å; I200-L375 PolarHBondContact O-N 2.83Å; I201-L375 CarbonylContact C-O 3.54Å; I201-L375 WeakPolarHBondContact CA-O 3.34Å; V202-L375 PolarHBondContact N-O 3.17Å; V214-L375 HydrophobicContact CG2-CD1 3.55Å; L375-L377 HydrophobicContact CD2-CB 4.41Å; L375-L377 HydrophobicContact CD2-CD1 4.32Å; L375-L377 HydrophobicContact CG-CB 4.31Å; L375-L377 PolarHBondContact O-N 3.24Å; L375-Y392 HydrophobicContact CD2-CD1 4.08Å; L375-Y392 HydrophobicContact CD2-CD2 3.38Å; L375-Y392 HydrophobicContact CD2-CE1 3.87Å; L375-Y392 HydrophobicContact CD2-CE2 3.14Å; L375-Y392 HydrophobicContact CD2-CG 3.86Å; L375-Y392 VanDerWaalsContact CD2-CZ 3.4Å; L375-Y392 HydrophobicContact CG-CE2 4.49Å
376M95.4Very high87.6Confident2 Ų236.8 Ų36.81%0.0119%0.187CC..EExtended strand (participates in β ladder)trans-77.2102.2165.4-67.6-173.866.900108.6V202 V204 S212 M213 F215 L219 F357 F362V202-M376 HydrophobicContact CB-CG 4.19Å; V202-M376 HydrophobicContact CG1-CG 4.47Å; V204-M376 HydrophobicContact CG2-CE 3.72Å; S212-M376 VanDerWaalsContact CA-O 3.24Å; S212-M376 WeakPolarHBondContact CA-O 3.45Å; S212-M376 WeakPolarHBondContact CB-O 3.48Å; M213-M376 PolarHBondContact N-O 3.45Å; M213-M376 PolarHBondContact O-N 2.75Å; F215-M376 HydrophobicContact CD2-CG 4.02Å; F215-M376 HydrophobicContact CD2-SD 3.97Å; F215-M376 HydrophobicContact CE2-CB 4.37Å; F215-M376 HydrophobicContact CE2-CG 3.78Å; F215-M376 HydrophobicContact CE2-SD 3.27Å; F215-M376 WeakPolarHBondContact CE2-SD 3.19Å; F215-M376 HydrophobicContact CZ-SD 3.88Å; L219-M376 HydrophobicContact CD1-CG 3.46Å; L219-M376 VanDerWaalsContact CD1-CG 3.46Å; L219-M376 HydrophobicContact CD1-SD 3.47Å; L219-M376 WeakPolarHBondContact CD1-SD 3.44Å; F357-M376 HydrophobicContact CB-CE 3.54Å; F357-M376 HydrophobicContact CD1-CE 3.75Å; F357-M376 HydrophobicContact CD2-CE 4.02Å; F357-M376 HydrophobicContact CE1-CE 4.45Å; F357-M376 HydrophobicContact CG-CE 3.49Å; F357-M376 VanDerWaalsContact CG-CE 3.49Å; F362-M376 HydrophobicContact CD2-CE 4.47Å; F362-M376 HydrophobicContact CE2-CE 3.87Å; F362-M376 HydrophobicContact CZ-CE 4.19Å
377L95.7Very high87.7Confident0 Ų035 Ų350%018%0.178CC..EExtended strand (participates in β ladder)trans-97.1112.2-175.7-173.861.7000110.3L174 I201 V202 V204 L375 W385 L388 K389L174-L377 HydrophobicContact CD2-CD1 3.86Å; I201-L377 HydrophobicContact CG2-CB 3.77Å; I201-L377 HydrophobicContact CG2-CD2 4.04Å; V202-L377 PolarHBondContact O-N 3.19Å; V204-L377 PolarHBondContact N-O 3.37Å; V204-L377 VanDerWaalsContact N-O 3.14Å; L375-L377 HydrophobicContact CD2-CB 4.41Å; L375-L377 HydrophobicContact CD2-CD1 4.32Å; L375-L377 HydrophobicContact CG-CB 4.31Å; L375-L377 PolarHBondContact O-N 3.24Å; L377-W385 PolarHBondContact O-NE1 2.88Å; L377-L388 HydrophobicContact CD1-CD2 3.87Å; L377-L388 HydrophobicContact CD1-CG 4.15Å; L377-L388 HydrophobicContact CD2-CD2 4.5Å; L377-L388 HydrophobicContact CD2-CG 4.2Å; L377-L388 HydrophobicContact CG-CD2 4.18Å; L377-L388 HydrophobicContact CG-CG 4.4Å; L377-K389 HydrophobicContact CD2-CB 4.28Å
378C94.3Very high88.2Confident0 Ų034.3 Ų34.30%017%0.174CC..EExtended strand (participates in β ladder)trans-96139.8179.9-63.20000111.8V204 R207 R208 S212V204-C378 VanDerWaalsContact O-CA 3.28Å; V204-C378 WeakPolarHBondContact O-CA 3.48Å; R207-C378 HydrophobicContact CB-CB 4.03Å; R208-C378 WeakPolarHBondContact O-CB 3.08Å; S212-C378 WeakPolarHBondContact OG-CB 3.44Å; S212-C378 PolarHBondContact OG-N 2.81Å
379N92.6Very high89Confident3 Ų333.7 Ų33.72%0.01617%0.167CC..EExtended strand (participates in β ladder)trans-146140.4164-162.6-29.5000110.6V204 G206 R207 N381 T384 W385 L388V204-N379 PolarHBondContact O-N 3.06Å; G206-N379 PolarHBondContact N-O 3.16Å; R207-N379 PolarHBondContact N-O 2.9Å; R207-N379 CarbonylContact O-C 3.58Å; R207-N379 WeakPolarHBondContact O-CA 3.3Å; R207-N379 PolarHBondContact O-N 2.86Å; N379-N381 VanDerWaalsContact C-N 3.27Å; N379-N381 PolarHBondContact O-N 2.9Å; N379-N381 PolarHBondContact OD1-N 3.22Å; N379-T384 PolarHBondContact ND2-O 3.48Å; N379-T384 PolarHBondContact ND2-OG1 3.49Å; N379-T384 VanDerWaalsContact ND2-OG1 3.13Å; N379-T384 PolarHBondContact OD1-OG1 3.16Å; N379-W385 HydrophobicContact CB-CB 4.05Å; N379-W385 HydrophobicContact CB-CG 4.27Å; N379-L388 HydrophobicContact CB-CD2 4.04Å
380R90.6Very high90Very high124 Ų12429.6 Ų29.647%0.46814%0.142SC..SBendtrans-66.2-32.5-177.766-177.985122.5-2111.5E170 R207E170-R380 IonicContact OE1-CZ 3.61Å; E170-R380 IonicContact OE1-NH2 3.7Å; E170-R380 PolarHBondContact OE1-NH2 3.49Å; E170-R380 IonicContact OE2-CZ 2.86Å; E170-R380 IonicContact OE2-NH2 3.5Å; E170-R380 PolarHBondContact OE2-NH2 3.17Å; R207-R380 WeakPolarHBondContact O-CA 3.47Å; R207-R380 PolarHBondContact O-N 2.99Å
381N86.1Confident91.4Very high63 Ų6327.8 Ų27.834%0.33713%0.131SC..  trans-113.7123.3-179.1177.6-0.8000110.2N379 T383 T384 W385N379-N381 VanDerWaalsContact C-N 3.27Å; N379-N381 PolarHBondContact O-N 2.9Å; N379-N381 PolarHBondContact OD1-N 3.22Å; N381-T383 VanDerWaalsContact C-N 3.29Å; N381-T383 PolarHBondContact ND2-OG1 2.71Å; N381-T383 PolarHBondContact O-N 3.03Å; N381-T383 PolarHBondContact OD1-N 2.83Å; N381-T383 PolarHBondContact OD1-OG1 2.81Å; N381-T384 HydrophobicContact CB-CG2 4.33Å; N381-T384 WeakPolarHBondContact CB-OG1 3.41Å; N381-T384 PolarHBondContact O-N 3.08Å; N381-T384 PolarHBondContact O-OG1 3.29Å; N381-W385 PolarHBondContact O-N 3.4Å; N381-W385 VanDerWaalsContact O-N 3.08Å
382E81.1Confident92Very high109 Ų10926 Ų2651%0.50912%0.121SC..Hα-helixtrans-61.3-36.3-179.1-52.9-148.4146.400112.9K205 T384 W385K205-E382 HydrophobicContact CB-CG 4.03Å; K205-E382 WeakPolarHBondContact CB-OE1 3.34Å; K205-E382 HydrophobicContact CD-CB 4.03Å; K205-E382 HydrophobicContact CD-CG 3.97Å; K205-E382 HydrophobicContact CG-CG 4.46Å; E382-T384 VanDerWaalsContact C-N 3.32Å; E382-T384 PolarHBondContact O-N 3.44Å; E382-W385 WeakPolarHBondContact O-CB 3.47Å; E382-W385 PolarHBondContact O-N 2.96Å
383T79.5Confident92.3Very high65 Ų6529.6 Ų29.640%0.39914%0.138SC..Hα-helixtrans-72-30.3-177.8650000111.8N381N381-T383 VanDerWaalsContact C-N 3.29Å; N381-T383 PolarHBondContact ND2-OG1 2.71Å; N381-T383 PolarHBondContact O-N 3.03Å; N381-T383 PolarHBondContact OD1-N 2.83Å; N381-T383 PolarHBondContact OD1-OG1 2.81Å
384T88.4Confident92.4Very high9 Ų930 Ų306%0.05514%0.141CC..Hα-helixtrans-85.8-12.3174.860.30000113A163 M165 N379 N381 E382 D386 E387 L388A163-T384 WeakPolarHBondContact O-CG2 3.43Å; M165-T384 HydrophobicContact SD-CG2 4.39Å; N379-T384 PolarHBondContact ND2-O 3.48Å; N379-T384 PolarHBondContact ND2-OG1 3.49Å; N379-T384 VanDerWaalsContact ND2-OG1 3.13Å; N379-T384 PolarHBondContact OD1-OG1 3.16Å; N381-T384 HydrophobicContact CB-CG2 4.33Å; N381-T384 WeakPolarHBondContact CB-OG1 3.41Å; N381-T384 PolarHBondContact O-N 3.08Å; N381-T384 PolarHBondContact O-OG1 3.29Å; E382-T384 VanDerWaalsContact C-N 3.32Å; E382-T384 PolarHBondContact O-N 3.44Å; T384-D386 PolarHBondContact O-N 3.32Å; T384-E387 WeakPolarHBondContact O-CB 3.36Å; T384-E387 PolarHBondContact O-N 2.96Å; T384-L388 PolarHBondContact O-N 3.36Å
385W92.7Very high92.6Very high14 Ų1430 Ų305%0.05314%0.141CC..Hα-helixtrans-63.6-43-179.9-175.392.3000111.3I201 P203 K205 L377 N379 N381 E382 E387 L388 K389I201-W385 HydrophobicContact CG2-CH2 4.39Å; I201-W385 HydrophobicContact CG2-CZ2 3.99Å; P203-W385 VanDerWaalsContact CA-CZ2 3.47Å; P203-W385 HydrophobicContact CB-CH2 3.64Å; P203-W385 HydrophobicContact CB-CZ2 3.4Å; P203-W385 VanDerWaalsContact CB-CZ2 3.4Å; P203-W385 HydrophobicContact CB-CZ3 4.4Å; K205-W385 HydrophobicContact CG-CG 4.26Å; L377-W385 PolarHBondContact O-NE1 2.88Å; N379-W385 HydrophobicContact CB-CB 4.05Å; N379-W385 HydrophobicContact CB-CG 4.27Å; N381-W385 PolarHBondContact O-N 3.4Å; N381-W385 VanDerWaalsContact O-N 3.08Å; E382-W385 WeakPolarHBondContact O-CB 3.47Å; E382-W385 PolarHBondContact O-N 2.96Å; W385-E387 PolarHBondContact O-N 3.38Å; W385-L388 PolarHBondContact O-N 3.43Å; W385-K389 HydrophobicContact CE3-CB 4.4Å; W385-K389 HydrophobicContact CH2-CB 4.15Å; W385-K389 HydrophobicContact CH2-CD 3.62Å; W385-K389 HydrophobicContact CH2-CG 4.2Å; W385-K389 HydrophobicContact CZ2-CB 4.48Å; W385-K389 HydrophobicContact CZ3-CB 4.1Å; W385-K389 HydrophobicContact CZ3-CD 3.69Å; W385-K389 HydrophobicContact CZ3-CG 4.4Å; W385-K389 WeakPolarHBondContact O-CB 3.37Å; W385-K389 PolarHBondContact O-N 3.07Å
386D90.5Very high92.6Very high39 Ų3931 Ų3121%0.20915%0.145CC..Hα-helixtrans-62.3-34.7177.2-68.7-34.6000111.8Y53 T384 R390Y53-D386 PolarHBondContact OH-OD2 3.44Å; T384-D386 PolarHBondContact O-N 3.32Å; D386-R390 WeakPolarHBondContact O-CG 3.46Å; D386-R390 VanDerWaalsContact O-CZ 3.23Å; D386-R390 PolarHBondContact O-N 2.82Å; D386-R390 PolarHBondContact O-NE 2.94Å; D386-R390 PolarHBondContact O-NH1 3.41Å
387E92.6Very high92.6Very high0 Ų032.8 Ų32.80%015%0.154CC..Hα-helixtrans-68.5-44.9175.6-172.275.9171.700111.2T57 S58 Q59 A163 T384 W385 R390 A391T57-E387 WeakPolarHBondContact CB-OE2 3.32Å; T57-E387 VanDerWaalsContact OG1-CD 3.23Å; T57-E387 PolarHBondContact OG1-OE1 2.78Å; T57-E387 PolarHBondContact OG1-OE2 3Å; S58-E387 PolarHBondContact N-OE1 2.87Å; S58-E387 PolarHBondContact OG-OE1 3.12Å; Q59-E387 WeakPolarHBondContact CG-OE1 3.43Å; Q59-E387 PolarHBondContact NE2-O 3.24Å; Q59-E387 PolarHBondContact NE2-OE1 3.46Å; Q59-E387 VanDerWaalsContact NE2-OE1 3.11Å; Q59-E387 PolarHBondContact NE2-OE2 2.82Å; A163-E387 HydrophobicContact CB-CG 3.61Å; A163-E387 WeakPolarHBondContact CB-OE1 3.41Å; T384-E387 WeakPolarHBondContact O-CB 3.36Å; T384-E387 PolarHBondContact O-N 2.96Å; W385-E387 PolarHBondContact O-N 3.38Å; E387-R390 PolarHBondContact O-N 3.44Å; E387-R390 IonicContact OE2-CZ 3.45Å; E387-R390 IonicContact OE2-NE 3Å; E387-R390 PolarHBondContact OE2-NE 3.36Å; E387-R390 IonicContact OE2-NH2 3.36Å; E387-R390 PolarHBondContact OE2-NH2 2.67Å; E387-A391 PolarHBondContact O-N 3.2Å
388L95.8Very high92.6Very high1 Ų132.8 Ų32.81%0.00515%0.154CC..Hα-helixtrans-63.7-41.1177.4-177.460.6000111.9C164 L166 L174 V209 L377 N379 T384 W385 R390 A391 Y392C164-L388 HydrophobicContact CB-CD1 4.27Å; L166-L388 HydrophobicContact CD1-CD1 3.98Å; L166-L388 HydrophobicContact CD2-CD1 4.16Å; L166-L388 HydrophobicContact CG-CD1 4.48Å; L174-L388 HydrophobicContact CD1-CD1 3.7Å; L174-L388 HydrophobicContact CD1-CD2 4.35Å; V209-L388 HydrophobicContact CG2-CD2 4.25Å; L377-L388 HydrophobicContact CD1-CD2 3.87Å; L377-L388 HydrophobicContact CD1-CG 4.15Å; L377-L388 HydrophobicContact CD2-CD2 4.5Å; L377-L388 HydrophobicContact CD2-CG 4.2Å; L377-L388 HydrophobicContact CG-CD2 4.18Å; L377-L388 HydrophobicContact CG-CG 4.4Å; N379-L388 HydrophobicContact CB-CD2 4.04Å; T384-L388 PolarHBondContact O-N 3.36Å; W385-L388 PolarHBondContact O-N 3.43Å; L388-R390 VanDerWaalsContact C-N 3.35Å; L388-R390 PolarHBondContact O-N 3.45Å; L388-A391 PolarHBondContact O-N 2.93Å; L388-Y392 PolarHBondContact O-N 3.43Å
389K95.4Very high92.7Very high72 Ų7232.8 Ų32.831%0.31315%0.154SC..Hα-helixtrans-55.1-50.8173.9177.7-174.1168.7177.50110.7I201 L377 W385 A391 Y392 E393I201-K389 HydrophobicContact CD1-CG 3.8Å; L377-K389 HydrophobicContact CD2-CB 4.28Å; W385-K389 HydrophobicContact CE3-CB 4.4Å; W385-K389 HydrophobicContact CH2-CB 4.15Å; W385-K389 HydrophobicContact CH2-CD 3.62Å; W385-K389 HydrophobicContact CH2-CG 4.2Å; W385-K389 HydrophobicContact CZ2-CB 4.48Å; W385-K389 HydrophobicContact CZ3-CB 4.1Å; W385-K389 HydrophobicContact CZ3-CD 3.69Å; W385-K389 HydrophobicContact CZ3-CG 4.4Å; W385-K389 WeakPolarHBondContact O-CB 3.37Å; W385-K389 PolarHBondContact O-N 3.07Å; K389-A391 VanDerWaalsContact C-N 3.33Å; K389-A391 PolarHBondContact O-N 3.26Å; K389-Y392 WeakPolarHBondContact O-CB 3.36Å; K389-Y392 PolarHBondContact O-N 2.93Å; K389-E393 WeakPolarHBondContact CE-OE1 3.41Å; K389-E393 IonicContact NZ-OE1 3.89Å; K389-E393 WeakPolarHBondContact O-CG 3.36Å; K389-E393 PolarHBondContact O-N 3.21Å
390R94Very high92.8Very high38 Ų3834.9 Ų34.914%0.14316%0.163CC..Hα-helixtrans-62.8-39.8178.5-69.7-178.6-74.5-89.25.8112.2D386 E387 L388 Y392 E393 T394D386-R390 WeakPolarHBondContact O-CG 3.46Å; D386-R390 VanDerWaalsContact O-CZ 3.23Å; D386-R390 PolarHBondContact O-N 2.82Å; D386-R390 PolarHBondContact O-NE 2.94Å; D386-R390 PolarHBondContact O-NH1 3.41Å; E387-R390 PolarHBondContact O-N 3.44Å; E387-R390 IonicContact OE2-CZ 3.45Å; E387-R390 IonicContact OE2-NE 3Å; E387-R390 PolarHBondContact OE2-NE 3.36Å; E387-R390 IonicContact OE2-NH2 3.36Å; E387-R390 PolarHBondContact OE2-NH2 2.67Å; L388-R390 VanDerWaalsContact C-N 3.35Å; L388-R390 PolarHBondContact O-N 3.45Å; R390-Y392 VanDerWaalsContact C-N 3.32Å; R390-Y392 PolarHBondContact O-N 3.49Å; R390-E393 PolarHBondContact O-N 3.35Å; R390-T394 PolarHBondContact O-N 3.4Å; R390-T394 PolarHBondContact O-OG1 2.96Å
391A95.8Very high93Very high0 Ų029.7 Ų29.70%015%0.145CC..Hα-helixtrans-63.3-39.5177.200000112L158 K161 E387 L388 K389 A395L158-A391 HydrophobicContact CD2-CB 4.16Å; K161-A391 HydrophobicContact CB-CB 4.37Å; K161-A391 HydrophobicContact CG-CB 4.09Å; E387-A391 PolarHBondContact O-N 3.2Å; L388-A391 PolarHBondContact O-N 2.93Å; K389-A391 VanDerWaalsContact C-N 3.33Å; K389-A391 PolarHBondContact O-N 3.26Å; A391-A395 WeakPolarHBondContact O-CB 3.38Å; A391-A395 PolarHBondContact O-N 3.38Å
392Y96.9Very high93.3Very high3 Ų326.7 Ų26.71%0.01213%0.129CC..Hα-helixtrans-63.7-48.5172.3172-89000111.8T178 C199 I201 L375 L388 K389 R390 T394 A395 E396T178-Y392 HydrophobicContact CG2-CD2 4.2Å; T178-Y392 HydrophobicContact CG2-CE2 3.83Å; T178-Y392 WeakPolarHBondContact OG1-CD2 3.2Å; T178-Y392 VanDerWaalsContact OG1-CE2 3.26Å; T178-Y392 WeakPolarHBondContact OG1-CE2 3.24Å; C199-Y392 PolarHBondContact SG-OH 2.92Å; I201-Y392 HydrophobicContact CD1-CD1 3.48Å; I201-Y392 VanDerWaalsContact CD1-CD1 3.48Å; I201-Y392 HydrophobicContact CD1-CE1 3.89Å; I201-Y392 HydrophobicContact CG1-CD1 4Å; I201-Y392 HydrophobicContact CG1-CE1 3.96Å; L375-Y392 HydrophobicContact CD2-CD1 4.08Å; L375-Y392 HydrophobicContact CD2-CD2 3.38Å; L375-Y392 HydrophobicContact CD2-CE1 3.87Å; L375-Y392 HydrophobicContact CD2-CE2 3.14Å; L375-Y392 HydrophobicContact CD2-CG 3.86Å; L375-Y392 VanDerWaalsContact CD2-CZ 3.4Å; L375-Y392 HydrophobicContact CG-CE2 4.49Å; L388-Y392 PolarHBondContact O-N 3.43Å; K389-Y392 WeakPolarHBondContact O-CB 3.36Å; K389-Y392 PolarHBondContact O-N 2.93Å; R390-Y392 VanDerWaalsContact C-N 3.32Å; R390-Y392 PolarHBondContact O-N 3.49Å; Y392-T394 VanDerWaalsContact C-N 3.29Å; Y392-T394 PolarHBondContact O-N 3.08Å; Y392-A395 WeakPolarHBondContact O-CB 3.5Å; Y392-A395 PolarHBondContact O-N 2.9Å; Y392-E396 HydrophobicContact CE1-CB 4.3Å; Y392-E396 VanDerWaalsContact CE1-OE2 3.28Å; Y392-E396 WeakPolarHBondContact CE1-OE2 3.33Å; Y392-E396 PolarHBondContact O-N 2.84Å
393E95.7Very high93.8Very high79 Ų7924.1 Ų24.137%0.36912%0.118SC..Hα-helixtrans-59.5-40.2178.7-71.8170.6159.100111.4I201 K389 R390 H397I201-E393 HydrophobicContact CD1-CG 3.83Å; K389-E393 WeakPolarHBondContact CE-OE1 3.41Å; K389-E393 IonicContact NZ-OE1 3.89Å; K389-E393 WeakPolarHBondContact O-CG 3.36Å; K389-E393 PolarHBondContact O-N 3.21Å; R390-E393 PolarHBondContact O-N 3.35Å; E393-H397 WeakPolarHBondContact O-CB 3.36Å; E393-H397 PolarHBondContact O-N 3.15Å
394T96.9Very high94.3Very high10 Ų1029.3 Ų29.36%0.06114%0.135CC..Hα-helixtrans-61-46.1171.7-660000111.4S89 D90 V157 R390 Y392 H397 V398S89-T394 WeakPolarHBondContact O-CG2 3.36Å; S89-T394 PolarHBondContact O-OG1 3.39Å; D90-T394 HydrophobicContact CB-CG2 3.86Å; V157-T394 HydrophobicContact CG1-CG2 3.69Å; V157-T394 HydrophobicContact CG2-CG2 4.49Å; R390-T394 PolarHBondContact O-N 3.4Å; R390-T394 PolarHBondContact O-OG1 2.96Å; Y392-T394 VanDerWaalsContact C-N 3.29Å; Y392-T394 PolarHBondContact O-N 3.08Å; T394-H397 PolarHBondContact O-N 3.49Å; T394-V398 HydrophobicContact CG2-CG2 4.42Å; T394-V398 WeakPolarHBondContact O-CG2 3.45Å; T394-V398 PolarHBondContact O-N 3.47Å
395A97.3Very high94.4Very high0 Ų032.9 Ų32.90%015%0.151CC..Hα-helixtrans-65.2-41.9-179.100000112.4V154 V157 T178 A391 Y392 V398 L399V154-A395 HydrophobicContact CG1-CB 4.07Å; V154-A395 HydrophobicContact CG2-CB 4.42Å; V157-A395 HydrophobicContact CB-CB 4.18Å; V157-A395 HydrophobicContact CG1-CB 3.94Å; T178-A395 HydrophobicContact CG2-CB 4.04Å; A391-A395 WeakPolarHBondContact O-CB 3.38Å; A391-A395 PolarHBondContact O-N 3.38Å; Y392-A395 WeakPolarHBondContact O-CB 3.5Å; Y392-A395 PolarHBondContact O-N 2.9Å; A395-V398 PolarHBondContact O-N 3.3Å; A395-L399 WeakPolarHBondContact O-CG 3.3Å; A395-L399 PolarHBondContact O-N 3.26Å
396E96.4Very high94.5Very high20 Ų2035.1 Ų35.19%0.09317%0.168CC..Hα-helixtrans-59.7-48.6173.3-177.8178.7-171.300110.6C199 Y392 V398 L399 Q400C199-E396 VanDerWaalsContact CB-OE1 3.32Å; C199-E396 WeakPolarHBondContact CB-OE1 3.32Å; Y392-E396 HydrophobicContact CE1-CB 4.3Å; Y392-E396 VanDerWaalsContact CE1-OE2 3.28Å; Y392-E396 WeakPolarHBondContact CE1-OE2 3.33Å; Y392-E396 PolarHBondContact O-N 2.84Å; E396-V398 VanDerWaalsContact C-N 3.34Å; E396-V398 PolarHBondContact O-N 2.94Å; E396-L399 WeakPolarHBondContact O-CB 3.45Å; E396-L399 PolarHBondContact O-N 3.1Å; E396-L399 VanDerWaalsContact O-N 3.17Å; E396-Q400 WeakPolarHBondContact O-CG 3.24Å; E396-Q400 PolarHBondContact O-N 3.06Å
397H96.1Very high94.7Very high39 Ų3934.3 Ų34.318%0.18116%0.163CC..Hα-helixtrans-65.2-36.3-179.6-168.1-169.1000112.6R87 S89 E393 T394 L399 Q400 L401R87-H397 PolarHBondContact O-CE1 3.48Å; S89-H397 WeakPolarHBondContact CB-ND1 3.45Å; S89-H397 PolarHBondContact OG-ND1 3.39Å; E393-H397 WeakPolarHBondContact O-CB 3.36Å; E393-H397 PolarHBondContact O-N 3.15Å; T394-H397 PolarHBondContact O-N 3.49Å; H397-L399 VanDerWaalsContact C-N 3.32Å; H397-L399 PolarHBondContact O-N 3.46Å; H397-Q400 WeakPolarHBondContact O-CB 3.24Å; H397-Q400 PolarHBondContact O-N 2.97Å; H397-Q400 VanDerWaalsContact O-N 3.16Å; H397-L401 WeakPolarHBondContact O-CG 3.48Å; H397-L401 PolarHBondContact O-N 3.42Å
398V96.7Very high94.9Very high1 Ų134.3 Ų34.31%0.00616%0.163CC..Hα-helixtrans-58.4-43.8172.9162.50000111.3D90 L153 V157 T394 A395 E396 Q400 L401 T402 C543D90-V398 HydrophobicContact CB-CG2 4.07Å; L153-V398 HydrophobicContact CB-CG1 4.38Å; L153-V398 HydrophobicContact CD2-CG1 4.3Å; V157-V398 HydrophobicContact CG2-CG2 4.14Å; T394-V398 HydrophobicContact CG2-CG2 4.42Å; T394-V398 WeakPolarHBondContact O-CG2 3.45Å; T394-V398 PolarHBondContact O-N 3.47Å; A395-V398 PolarHBondContact O-N 3.3Å; E396-V398 VanDerWaalsContact C-N 3.34Å; E396-V398 PolarHBondContact O-N 2.94Å; V398-Q400 VanDerWaalsContact C-N 3.35Å; V398-Q400 PolarHBondContact O-N 2.9Å; V398-L401 PolarHBondContact O-N 2.94Å; V398-T402 PolarHBondContact O-N 3.16Å; V398-T402 PolarHBondContact O-OG1 3.28Å; V398-C543 HydrophobicContact CB-CB 4.39Å; V398-C543 HydrophobicContact CG1-CB 3.8Å; V398-C543 HydrophobicContact CG2-CB 3.87Å
399L95.6Very high94.9Very high0 Ų034.3 Ų34.30%016%0.163CC..Hα-helixtrans-63.1-41.4175.4-66.6173.7000111.7L150 V154 T178 V179 F182 A395 E396 H397 T402 I403L150-L399 HydrophobicContact CB-CD2 4.01Å; L150-L399 HydrophobicContact CD2-CD2 3.9Å; L150-L399 HydrophobicContact CG-CD2 4.46Å; V154-L399 HydrophobicContact CG2-CD1 3.65Å; V154-L399 HydrophobicContact CG2-CD2 3.94Å; V154-L399 HydrophobicContact CG2-CG 3.86Å; T178-L399 HydrophobicContact CG2-CD1 4.13Å; V179-L399 HydrophobicContact CG2-CD1 4.41Å; F182-L399 HydrophobicContact CB-CD1 3.61Å; F182-L399 HydrophobicContact CD1-CB 4.06Å; F182-L399 HydrophobicContact CD1-CD1 3.86Å; F182-L399 HydrophobicContact CD1-CG 4.43Å; F182-L399 HydrophobicContact CD2-CB 3.63Å; F182-L399 HydrophobicContact CD2-CD1 4.18Å; F182-L399 HydrophobicContact CE1-CB 4Å; F182-L399 HydrophobicContact CE2-CB 3.56Å; F182-L399 HydrophobicContact CG-CB 3.85Å; F182-L399 HydrophobicContact CG-CD1 3.62Å; F182-L399 HydrophobicContact CG-CG 4.36Å; F182-L399 HydrophobicContact CZ-CB 3.72Å; A395-L399 WeakPolarHBondContact O-CG 3.3Å; A395-L399 PolarHBondContact O-N 3.26Å; E396-L399 WeakPolarHBondContact O-CB 3.45Å; E396-L399 PolarHBondContact O-N 3.1Å; E396-L399 VanDerWaalsContact O-N 3.17Å; H397-L399 VanDerWaalsContact C-N 3.32Å; H397-L399 PolarHBondContact O-N 3.46Å; L399-T402 WeakPolarHBondContact O-CB 3.5Å; L399-T402 PolarHBondContact O-N 2.78Å; L399-I403 PolarHBondContact O-N 3.09Å
400Q94Very high94.9Very high47 Ų4730.9 Ų30.922%0.2215%0.148CC..Hα-helixtrans-64.4-40.2176.7-63.6174.6-6.800112.7F182 L196 E396 H397 V398 T402 I403F182-Q400 HydrophobicContact CD2-CG 4.46Å; F182-Q400 HydrophobicContact CE2-CG 4.16Å; L196-Q400 HydrophobicContact CD1-CB 3.88Å; L196-Q400 HydrophobicContact CD1-CG 3.7Å; E396-Q400 WeakPolarHBondContact O-CG 3.24Å; E396-Q400 PolarHBondContact O-N 3.06Å; H397-Q400 WeakPolarHBondContact O-CB 3.24Å; H397-Q400 PolarHBondContact O-N 2.97Å; H397-Q400 VanDerWaalsContact O-N 3.16Å; V398-Q400 VanDerWaalsContact C-N 3.35Å; V398-Q400 PolarHBondContact O-N 2.9Å; Q400-T402 VanDerWaalsContact C-N 3.27Å; Q400-T402 PolarHBondContact O-N 3.36Å; Q400-I403 WeakPolarHBondContact O-CB 3.32Å; Q400-I403 PolarHBondContact O-N 3.13Å
401L94.7Very high95Very high14 Ų1429.1 Ų29.17%0.07314%0.141CC..Hα-helixtrans-62.9-37.9174-71.5172.4000111.2F88 H397 V398 I403 K404 E405 A545F88-L401 HydrophobicContact CB-CD1 4.35Å; F88-L401 HydrophobicContact CD1-CD1 4.01Å; F88-L401 HydrophobicContact CD1-CD2 4.2Å; H397-L401 WeakPolarHBondContact O-CG 3.48Å; H397-L401 PolarHBondContact O-N 3.42Å; V398-L401 PolarHBondContact O-N 2.94Å; L401-I403 PolarHBondContact O-N 3.37Å; L401-K404 PolarHBondContact O-N 3Å; L401-K404 VanDerWaalsContact O-N 3.07Å; L401-E405 PolarHBondContact O-N 3.15Å; L401-E405 VanDerWaalsContact O-N 3.09Å; L401-A545 HydrophobicContact CB-CB 4.34Å
402T94Very high94.9Very high1 Ų129.9 Ų29.91%0.00615%0.15CC..Hα-helixtrans-65.6-25.8179-51.70000112.2V142 F144 L153 V398 L399 Q400 K404 E405 P406V142-T402 HydrophobicContact CB-CG2 3.83Å; V142-T402 HydrophobicContact CG1-CG2 3.73Å; V142-T402 HydrophobicContact CG2-CG2 3.76Å; F144-T402 HydrophobicContact CZ-CG2 3.98Å; F144-T402 WeakPolarHBondContact CZ-O 3.08Å; L153-T402 HydrophobicContact CD1-CG2 4.26Å; V398-T402 PolarHBondContact O-N 3.16Å; V398-T402 PolarHBondContact O-OG1 3.28Å; L399-T402 WeakPolarHBondContact O-CB 3.5Å; L399-T402 PolarHBondContact O-N 2.78Å; Q400-T402 VanDerWaalsContact C-N 3.27Å; Q400-T402 PolarHBondContact O-N 3.36Å; T402-K404 VanDerWaalsContact C-N 3.31Å; T402-K404 PolarHBondContact O-N 3.02Å; T402-E405 WeakPolarHBondContact CA-O 3.42Å; T402-E405 CarbonylContact O-C 3.59Å; T402-E405 VanDerWaalsContact O-O 3.14Å; T402-P406 WeakPolarHBondContact O-CA 3.02Å
403I90.8Very high94.8Very high55 Ų5529.8 Ų29.828%0.28215%0.15SC..Hα-helixtrans-63.8-40.3172.4-64.7178.4000110.8F144 F182 V186 L196 L399 Q400 L401F144-I403 HydrophobicContact CE1-CG1 4Å; F144-I403 HydrophobicContact CZ-CB 4.38Å; F144-I403 HydrophobicContact CZ-CG1 3.86Å; F182-I403 HydrophobicContact CE2-CD1 3.7Å; F182-I403 HydrophobicContact CE2-CG1 4.28Å; F182-I403 HydrophobicContact CZ-CD1 3.46Å; F182-I403 VanDerWaalsContact CZ-CD1 3.46Å; F182-I403 HydrophobicContact CZ-CG1 3.7Å; V186-I403 HydrophobicContact CG2-CD1 3.86Å; L196-I403 HydrophobicContact CD1-CD1 3.91Å; L196-I403 HydrophobicContact CD2-CD1 3.58Å; L196-I403 HydrophobicContact CG-CD1 4.4Å; L399-I403 PolarHBondContact O-N 3.09Å; Q400-I403 WeakPolarHBondContact O-CB 3.32Å; Q400-I403 PolarHBondContact O-N 3.13Å; L401-I403 PolarHBondContact O-N 3.37Å
404K89.2Confident94.8Very high173 Ų17326 Ų2675%0.75213%0.132SC*.Hα-helixtrans-74.6-41.4-177.9-63.2179.7-178.9174.50111.5L401 T402L401-K404 PolarHBondContact O-N 3Å; L401-K404 VanDerWaalsContact O-N 3.07Å; T402-K404 VanDerWaalsContact C-N 3.31Å; T402-K404 PolarHBondContact O-N 3.02Å
405E91.6Very high94.8Very high84 Ų8425.7 Ų25.739%0.39313%0.13SC..SBendtrans-128.397.7177-68.2-174.6173.100108.5L401 T402 L407 F544L401-E405 PolarHBondContact O-N 3.15Å; L401-E405 VanDerWaalsContact O-N 3.09Å; T402-E405 WeakPolarHBondContact CA-O 3.42Å; T402-E405 CarbonylContact O-C 3.59Å; T402-E405 VanDerWaalsContact O-O 3.14Å; E405-L407 PolarHBondContact O-N 3.16Å; E405-F544 HydrophobicContact CB-CD1 4.44Å; E405-F544 VanDerWaalsContact OE2-CD1 3.3Å; E405-F544 WeakPolarHBondContact OE2-CD1 3.46Å; E405-F544 WeakPolarHBondContact OE2-CE1 3.41Å
406P93.9Very high94.8Very high62 Ų6225.7 Ų25.740%0.40313%0.13SC..  trans-76.456.2-172.332.5-37.5000112.5V142 F144 T402V142-P406 PolarHBondContact N-O 2.95Å; F144-P406 HydrophobicContact CE2-CB 4.16Å; T402-P406 WeakPolarHBondContact O-CA 3.02Å
407L95.1Very high94.8Very high22 Ų2224.8 Ų24.812%0.11513%0.126CC..EExtended strand (participates in β ladder)trans-135.8146.7-174.8-60.8172.1000109.8R139 V140 E405 F544R139-L407 HydrophobicContact CG-CD2 4.21Å; V140-L407 WeakPolarHBondContact O-CA 3.38Å; E405-L407 PolarHBondContact O-N 3.16Å; L407-F544 HydrophobicContact CB-CB 3.77Å; L407-F544 HydrophobicContact CB-CD1 4.01Å; L407-F544 HydrophobicContact CB-CD2 3.93Å; L407-F544 HydrophobicContact CB-CG 3.63Å; L407-F544 HydrophobicContact CD1-CD1 4.1Å; L407-F544 HydrophobicContact CD1-CD2 4.35Å; L407-F544 HydrophobicContact CD1-CE1 3.93Å; L407-F544 HydrophobicContact CD1-CE2 4.2Å; L407-F544 HydrophobicContact CD1-CG 4.33Å; L407-F544 HydrophobicContact CD1-CZ 4Å; L407-F544 WeakPolarHBondContact O-CB 3.45Å
408A96.3Very high94.7Very high0 Ų023 Ų230%012%0.117CC..EExtended strand (participates in β ladder)trans-130.5166.517000000109.4V140 V142 L153 L541V140-A408 HydrophobicContact CB-CB 4.31Å; V140-A408 PolarHBondContact N-O 2.97Å; V140-A408 PolarHBondContact O-N 2.83Å; V142-A408 HydrophobicContact CG2-CB 3.91Å; L153-A408 HydrophobicContact CD2-CB 4.01Å; A408-L541 HydrophobicContact CB-CB 4.41Å; A408-L541 HydrophobicContact CB-CD1 4.24Å; A408-L541 HydrophobicContact CB-CD2 4.49Å
409L96.8Very high94.7Very high0 Ų023.1 Ų23.10%012%0.118CC..EExtended strand (participates in β ladder)trans-122.1151.6175.1-66171.7000110.7L131 C138 G411 T415 L541 D542 F544 K547L131-L409 HydrophobicContact CD2-CD1 4.19Å; L131-L409 HydrophobicContact CD2-CD2 3.91Å; C138-L409 CarbonylContact O-C 3.18Å; C138-L409 VanDerWaalsContact O-CA 3.29Å; C138-L409 WeakPolarHBondContact O-CA 3.46Å; L409-G411 PolarHBondContact O-N 2.69Å; L409-T415 HydrophobicContact CD1-CG2 4.23Å; L409-L541 CarbonylContact O-C 3.49Å; L409-L541 VanDerWaalsContact O-CA 3.32Å; L409-L541 WeakPolarHBondContact O-CA 3.4Å; L409-D542 PolarHBondContact N-O 2.81Å; L409-D542 PolarHBondContact O-N 3.16Å; L409-F544 HydrophobicContact CD1-CD2 4.02Å; L409-F544 HydrophobicContact CD2-CD2 3.84Å; L409-F544 HydrophobicContact CD2-CE2 4.29Å; L409-F544 HydrophobicContact CG-CB 4.44Å; L409-F544 HydrophobicContact CG-CD2 3.78Å; L409-K547 HydrophobicContact CD1-CB 3.81Å; L409-K547 HydrophobicContact CD1-CG 3.82Å
410L96.2Very high94.7Very high1 Ų123.1 Ų23.11%0.00512%0.118CC..EExtended strand (participates in β ladder)trans-64.1119.4172.5-63.6-179.1000110.5C138 V140 C414 T415 H478 C501 I503 L539 L541C138-L410 HydrophobicContact CB-CB 4.3Å; C138-L410 HydrophobicContact CB-CD1 4.48Å; C138-L410 HydrophobicContact CB-CG 4.4Å; C138-L410 PolarHBondContact O-N 2.98Å; V140-L410 HydrophobicContact CG2-CD2 3.85Å; V140-L410 HydrophobicContact CG2-CG 4.37Å; L410-C414 HydrophobicContact CB-CB 4.2Å; L410-T415 PolarHBondContact O-N 3.02Å; L410-T415 PolarHBondContact O-OG1 3.1Å; L410-H478 WeakPolarHBondContact CD1-NE2 3.49Å; L410-C501 HydrophobicContact CB-CB 3.97Å; L410-C501 HydrophobicContact CD2-CB 4.41Å; L410-I503 HydrophobicContact CD1-CD1 4.46Å; L410-I503 HydrophobicContact CD1-CG2 4.38Å; L410-I503 HydrophobicContact CD2-CD1 4.36Å; L410-L539 HydrophobicContact CD2-CD1 4.08Å; L410-L541 HydrophobicContact CD2-CD2 4.2Å
411G95.5Very high94.6Very high0 Ų021 Ų210%011%0.108CC..THydrogen-bonded Turntrans-82-158.8-178.100000113.7L409 G413 C414 C501 T540L409-G411 PolarHBondContact O-N 2.69Å; G411-G413 VanDerWaalsContact C-N 3.29Å; G411-G413 PolarHBondContact O-N 2.72Å; G411-C414 WeakPolarHBondContact O-CB 3.4Å; G411-C414 PolarHBondContact O-N 2.99Å; G411-C501 WeakPolarHBondContact O-CB 3.41Å; G411-T540 PolarHBondContact N-O 3.43Å
412G93.2Very high94.6Very high17 Ų1721.6 Ų21.618%0.17511%0.11CC..THydrogen-bonded Turntrans64.527.7173.300000115C414G412-C414 VanDerWaalsContact C-N 3.26Å; G412-C414 PolarHBondContact O-N 3.36Å
413G94.9Very high94.7Very high1 Ų121.6 Ų21.61%0.0111%0.11CC..THydrogen-bonded Turntrans82.2-3.2-178.500000114.4G411 E416 T417 C479G411-G413 VanDerWaalsContact C-N 3.29Å; G411-G413 PolarHBondContact O-N 2.72Å; G413-E416 VanDerWaalsContact CA-OE2 3.24Å; G413-E416 WeakPolarHBondContact CA-OE2 3.34Å; G413-E416 PolarHBondContact O-N 3.07Å; G413-T417 PolarHBondContact O-N 2.82Å; G413-T417 VanDerWaalsContact O-N 3.16Å; G413-T417 PolarHBondContact O-OG1 3.14Å; G413-C479 VanDerWaalsContact C-CB 3.48Å; G413-C479 WeakPolarHBondContact O-CB 3.32Å
414C95.6Very high94.7Very high0 Ų020.6 Ų20.60%010%0.102CC..Hα-helixtrans-68-39.7-178.8-65.70000112L410 G411 G412 E416 T417 H418 H478 C479 C501L410-C414 HydrophobicContact CB-CB 4.2Å; G411-C414 WeakPolarHBondContact O-CB 3.4Å; G411-C414 PolarHBondContact O-N 2.99Å; G412-C414 VanDerWaalsContact C-N 3.26Å; G412-C414 PolarHBondContact O-N 3.36Å; C414-E416 VanDerWaalsContact C-N 3.33Å; C414-E416 PolarHBondContact O-N 3.09Å; C414-T417 WeakPolarHBondContact CA-OG1 3.29Å; C414-T417 PolarHBondContact O-OG1 3.04Å; C414-H418 WeakPolarHBondContact O-CB 3.31Å; C414-H418 PolarHBondContact O-N 3.21Å; C414-H478 HydrophobicContact CB-CB 4.25Å; C414-H478 VanDerWaalsContact SG-CB 3.6Å; C414-C479 PolarHBondContact SG-N 3.46Å; C414-C479 VanDerWaalsContact SG-N 3.37Å; C414-C501 HydrophobicContact CB-CB 4.17Å; C414-C501 PolarHBondContact SG-N 3.36Å; C414-C501 PolarHBondContact SG-SG 3Å
415T97Very high94.8Very high2 Ų214.7 Ų14.71%0.0128%0.077CC..Hα-helixtrans-60.3-43.8176.3-690000111.5L131 L409 L410 L419L131-T415 HydrophobicContact CD2-CG2 4.31Å; L409-T415 HydrophobicContact CD1-CG2 4.23Å; L410-T415 PolarHBondContact O-N 3.02Å; L410-T415 PolarHBondContact O-OG1 3.1Å; T415-L419 HydrophobicContact CG2-CD1 3.96Å; T415-L419 HydrophobicContact CG2-CG 4.39Å; T415-L419 WeakPolarHBondContact O-CB 3.38Å; T415-L419 VanDerWaalsContact O-CG 3.23Å; T415-L419 WeakPolarHBondContact O-CG 3.29Å; T415-L419 PolarHBondContact O-N 3.47Å
416E97.5Very high94.7Very high1 Ų114.6 Ų14.61%0.0058%0.076CC..Hα-helixtrans-64.8-49.3-178.7-68.986.1165.600112.3F94 G413 C414 L419 A420 L456 V459 A460 K547F94-E416 HydrophobicContact CD2-CG 4.4Å; F94-E416 VanDerWaalsContact CD2-OE1 3.24Å; F94-E416 WeakPolarHBondContact CD2-OE1 3.46Å; F94-E416 HydrophobicContact CE2-CG 3.81Å; F94-E416 WeakPolarHBondContact CE2-OE1 3.41Å; G413-E416 VanDerWaalsContact CA-OE2 3.24Å; G413-E416 WeakPolarHBondContact CA-OE2 3.34Å; G413-E416 PolarHBondContact O-N 3.07Å; C414-E416 VanDerWaalsContact C-N 3.33Å; C414-E416 PolarHBondContact O-N 3.09Å; E416-L419 PolarHBondContact O-N 3.1Å; E416-A420 WeakPolarHBondContact O-CB 3.5Å; E416-A420 PolarHBondContact O-N 2.76Å; E416-L456 HydrophobicContact CB-CB 4.35Å; E416-V459 HydrophobicContact CG-CB 4.36Å; E416-V459 HydrophobicContact CG-CG1 4.38Å; E416-A460 HydrophobicContact CB-CB 4.19Å; E416-K547 VanDerWaalsContact OE1-CE 3.27Å; E416-K547 WeakPolarHBondContact OE1-CE 3.37Å; E416-K547 IonicContact OE1-NZ 2.85Å; E416-K547 PolarHBondContact OE1-NZ 3Å; E416-K547 IonicContact OE2-NZ 3.75Å
417T95.6Very high94.4Very high0 Ų012.1 Ų12.10%06%0.06CC..Hα-helixtrans-67.6-36179.744.80000112.1G413 C414 A420 S421 A460 A472 G477 C479 L515G413-T417 PolarHBondContact O-N 2.82Å; G413-T417 VanDerWaalsContact O-N 3.16Å; G413-T417 PolarHBondContact O-OG1 3.14Å; C414-T417 WeakPolarHBondContact CA-OG1 3.29Å; C414-T417 PolarHBondContact O-OG1 3.04Å; T417-A420 PolarHBondContact O-N 3.1Å; T417-S421 WeakPolarHBondContact O-CB 3.44Å; T417-S421 PolarHBondContact O-N 3.27Å; T417-S421 PolarHBondContact O-OG 3.28Å; T417-A460 HydrophobicContact CG2-CB 3.83Å; T417-A472 HydrophobicContact CG2-CB 4.26Å; T417-G477 CarbonylContact C-O 3.52Å; T417-G477 VanDerWaalsContact C-O 3.27Å; T417-G477 WeakPolarHBondContact CB-O 3.19Å; T417-G477 PolarHBondContact OG1-O 3.13Å; T417-C479 HydrophobicContact CG2-CB 4.02Å; T417-C479 PolarHBondContact OG1-N 3.29Å; T417-L515 HydrophobicContact CG2-CD1 3.72Å; T417-L515 HydrophobicContact CG2-CD2 4.04Å
418H95.4Very high94Very high1 Ų115.2 Ų15.21%0.0058%0.082CC..Hα-helixtrans-67.6-45.2174.7-178.395.7000111.8Y130 C138 C414 A420 S421 Y422 Y476 G477 L524Y130-H418 AromaticContact CE1-CD2 3.71Å; Y130-H418 AromaticContact CE1-NE2 3.42Å; Y130-H418 WeakPolarHBondContact CE1-NE2 3.23Å; Y130-H418 AromaticContact CZ-NE2 3.5Å; Y130-H418 PolarHBondContact OH-NE2 3.07Å; C138-H418 WeakPolarHBondContact SG-CB 3.31Å; C138-H418 PolarHBondContact SG-CD2 3.24Å; C414-H418 WeakPolarHBondContact O-CB 3.31Å; C414-H418 PolarHBondContact O-N 3.21Å; H418-A420 PolarHBondContact O-N 3.18Å; H418-S421 PolarHBondContact O-N 3.47Å; H418-Y422 WeakPolarHBondContact O-CB 3.4Å; H418-Y422 PolarHBondContact O-N 2.67Å; H418-Y476 PolarHBondContact ND1-O 3.27Å; H418-G477 WeakPolarHBondContact CA-O 3.49Å; H418-G477 PolarHBondContact N-O 2.94Å; H418-L524 WeakPolarHBondContact CE1-CD2 3.18Å; H418-L524 WeakPolarHBondContact ND1-CD2 3.48Å; H418-L524 WeakPolarHBondContact NE2-CD2 3.4Å
419L96.6Very high93.4Very high4 Ų420.3 Ų20.32%0.02111%0.109CC..Hα-helixtrans-61.8-42.7175-76.3176.1000111.8C127 Y130 L131 T415 E416 S421 Y422 V423 L456 L551C127-L419 HydrophobicContact CB-CD2 4.27Å; Y130-L419 HydrophobicContact CD1-CD2 3.93Å; Y130-L419 HydrophobicContact CE1-CD2 4.45Å; L131-L419 HydrophobicContact CD1-CD1 4.14Å; L131-L419 HydrophobicContact CD2-CD1 4.25Å; L131-L419 HydrophobicContact CD2-CD2 3.95Å; L131-L419 HydrophobicContact CD2-CG 4.34Å; L131-L419 HydrophobicContact CG-CD1 4.46Å; L131-L419 HydrophobicContact CG-CD2 4.04Å; T415-L419 HydrophobicContact CG2-CD1 3.96Å; T415-L419 HydrophobicContact CG2-CG 4.39Å; T415-L419 WeakPolarHBondContact O-CB 3.38Å; T415-L419 VanDerWaalsContact O-CG 3.23Å; T415-L419 WeakPolarHBondContact O-CG 3.29Å; T415-L419 PolarHBondContact O-N 3.47Å; E416-L419 PolarHBondContact O-N 3.1Å; L419-S421 VanDerWaalsContact C-N 3.29Å; L419-S421 PolarHBondContact O-N 2.89Å; L419-Y422 PolarHBondContact O-N 2.77Å; L419-V423 WeakPolarHBondContact O-CG2 3.46Å; L419-V423 PolarHBondContact O-N 3.11Å; L419-L456 HydrophobicContact CB-CD1 3.82Å; L419-L551 HydrophobicContact CD1-CD2 4.38Å
420A95.3Very high92.9Very high0 Ų021.9 Ų21.90%012%0.118CC..Hα-helixtrans-60.6-39.6175.300000111.8E416 T417 H418 R424 C453 L456 E457E416-A420 WeakPolarHBondContact O-CB 3.5Å; E416-A420 PolarHBondContact O-N 2.76Å; T417-A420 PolarHBondContact O-N 3.1Å; H418-A420 PolarHBondContact O-N 3.18Å; A420-R424 WeakPolarHBondContact O-CG 3.39Å; A420-R424 PolarHBondContact O-N 3.24Å; A420-R424 VanDerWaalsContact O-N 3.16Å; A420-R424 PolarHBondContact O-NH1 3.43Å; A420-C453 HydrophobicContact CB-CB 3.93Å; A420-C453 PolarHBondContact O-SG 2.85Å; A420-L456 HydrophobicContact CB-CB 4.3Å; A420-L456 HydrophobicContact CB-CD1 4.33Å; A420-E457 HydrophobicContact CB-CG 3.88Å
421S92.8Very high92.4Very high2 Ų224.4 Ų24.41%0.01414%0.136CC..Hα-helixtrans-69.4-42.7176.4-60.40000111.9T417 H418 L419 R424 H425 L524T417-S421 WeakPolarHBondContact O-CB 3.44Å; T417-S421 PolarHBondContact O-N 3.27Å; T417-S421 PolarHBondContact O-OG 3.28Å; H418-S421 PolarHBondContact O-N 3.47Å; L419-S421 VanDerWaalsContact C-N 3.29Å; L419-S421 PolarHBondContact O-N 2.89Å; S421-R424 PolarHBondContact O-N 2.83Å; S421-H425 WeakPolarHBondContact O-CB 3.35Å; S421-H425 PolarHBondContact O-N 3.42Å; S421-L524 VanDerWaalsContact CB-CD1 3.46Å
422Y94.3Very high91.7Very high28 Ų2829.7 Ų29.711%0.1117%0.168CC..Hα-helixtrans-59.9-47.4175.6172.7-104.4000112.3L126 Y130 H418 L419 R424 H425 K426L126-Y422 HydrophobicContact CD1-CE1 4.13Å; L126-Y422 HydrophobicContact CD2-CE1 4.48Å; L126-Y422 HydrophobicContact CG-CE1 3.93Å; Y130-Y422 VanDerWaalsContact CB-CE1 3.49Å; Y130-Y422 AromaticContact CD1-CD1 3.64Å; Y130-Y422 HydrophobicContact CD1-CD1 3.64Å; Y130-Y422 HydrophobicContact CD1-CD2 4.03Å; Y130-Y422 AromaticContact CD1-CE1 3.8Å; Y130-Y422 HydrophobicContact CD1-CE1 3.8Å; Y130-Y422 HydrophobicContact CD1-CE2 4.2Å; Y130-Y422 AromaticContact CD1-CG 3.75Å; Y130-Y422 HydrophobicContact CD1-CG 3.75Å; Y130-Y422 HydrophobicContact CD2-CD2 4.02Å; Y130-Y422 HydrophobicContact CD2-CE1 4.11Å; Y130-Y422 AromaticContact CD2-CE2 3.51Å; Y130-Y422 HydrophobicContact CD2-CE2 3.51Å; Y130-Y422 AromaticContact CD2-CZ 3.55Å; Y130-Y422 HydrophobicContact CE1-CD1 4.12Å; Y130-Y422 AromaticContact CE1-CD2 3.84Å; Y130-Y422 HydrophobicContact CE1-CD2 3.84Å; Y130-Y422 HydrophobicContact CE1-CE2 4.32Å; Y130-Y422 AromaticContact CE1-CG 3.73Å; Y130-Y422 HydrophobicContact CE1-CG 3.73Å; Y130-Y422 AromaticContact CE2-CD2 3.84Å; Y130-Y422 HydrophobicContact CE2-CD2 3.84Å; Y130-Y422 AromaticContact CE2-CE2 3.66Å; Y130-Y422 HydrophobicContact CE2-CE2 3.66Å; Y130-Y422 AromaticContact CG-CD1 3.88Å; Y130-Y422 HydrophobicContact CG-CD1 3.88Å; Y130-Y422 HydrophobicContact CG-CD2 4.11Å; Y130-Y422 AromaticContact CG-CE1 3.52Å; Y130-Y422 HydrophobicContact CG-CE1 3.52Å; Y130-Y422 AromaticContact CG-CE2 3.79Å; Y130-Y422 HydrophobicContact CG-CE2 3.79Å; Y130-Y422 HydrophobicContact CG-CG 4.15Å; Y130-Y422 AromaticContact CG-CZ 3.48Å; Y130-Y422 VanDerWaalsContact CG-CZ 3.48Å; Y130-Y422 AromaticContact CZ-CD2 3.74Å; H418-Y422 WeakPolarHBondContact O-CB 3.4Å; H418-Y422 PolarHBondContact O-N 2.67Å; L419-Y422 PolarHBondContact O-N 2.77Å; Y422-R424 PolarHBondContact O-N 3.02Å; Y422-H425 PolarHBondContact O-N 3.43Å; Y422-K426 HydrophobicContact CD2-CG 4.25Å; Y422-K426 HydrophobicContact CE1-CG 4.09Å; Y422-K426 HydrophobicContact CE2-CD 4.25Å; Y422-K426 VanDerWaalsContact CE2-CE 3.44Å; Y422-K426 HydrophobicContact CE2-CG 3.77Å; Y422-K426 WeakPolarHBondContact O-CB 3.39Å; Y422-K426 WeakPolarHBondContact O-CG 3.38Å; Y422-K426 PolarHBondContact O-N 2.62Å; Y422-K426 VanDerWaalsContact OH-CE 3.25Å; Y422-K426 WeakPolarHBondContact OH-CE 3.32Å
423V94.8Very high91.1Very high0 Ų032.4 Ų32.40%018%0.184CC..Hα-helixtrans-62.1-43.9178.21690000110.8L123 C127 L419 K426 S427 A449 F452 C453L123-V423 HydrophobicContact CD2-CG1 3.74Å; C127-V423 VanDerWaalsContact SG-CG2 3.54Å; L419-V423 WeakPolarHBondContact O-CG2 3.46Å; L419-V423 PolarHBondContact O-N 3.11Å; V423-K426 PolarHBondContact O-N 3.42Å; V423-S427 VanDerWaalsContact O-CB 3.3Å; V423-S427 WeakPolarHBondContact O-CB 3.25Å; V423-S427 PolarHBondContact O-N 2.71Å; V423-S427 PolarHBondContact O-OG 2.84Å; V423-A449 HydrophobicContact CG1-CB 4.24Å; V423-F452 HydrophobicContact CG2-CE1 4.48Å; V423-C453 VanDerWaalsContact CG1-SG 3.52Å
424R91.8Very high90.6Very high34 Ų3434.3 Ų34.313%0.12820%0.197CC..Hα-helixtrans-61.1-46.6176.1-73.6-172.7-171.1101.2-8.6111.9A420 S421 Y422 K426 S427 C428 D450 C453 E457A420-R424 WeakPolarHBondContact O-CG 3.39Å; A420-R424 PolarHBondContact O-N 3.24Å; A420-R424 VanDerWaalsContact O-N 3.16Å; A420-R424 PolarHBondContact O-NH1 3.43Å; S421-R424 PolarHBondContact O-N 2.83Å; Y422-R424 PolarHBondContact O-N 3.02Å; R424-K426 PolarHBondContact O-N 3.27Å; R424-S427 WeakPolarHBondContact O-CB 3.33Å; R424-S427 PolarHBondContact O-N 3.34Å; R424-C428 PolarHBondContact O-N 3.06Å; R424-C428 VanDerWaalsContact O-N 3.07Å; R424-C428 PolarHBondContact O-SG 2.96Å; R424-D450 IonicContact NE-OD1 2.77Å; R424-D450 IonicContact NH2-OD1 2.88Å; R424-C453 HydrophobicContact CG-CB 4.41Å; R424-E457 IonicContact CZ-OE1 3.7Å; R424-E457 VanDerWaalsContact CZ-OE1 3.24Å; R424-E457 IonicContact CZ-OE2 3.02Å; R424-E457 IonicContact NH1-OE1 2.67Å; R424-E457 PolarHBondContact NH1-OE1 3.15Å; R424-E457 IonicContact NH1-OE2 3.91Å; R424-E457 IonicContact NH2-OE1 3.07Å; R424-E457 PolarHBondContact NH2-OE1 3.2Å; R424-E457 IonicContact NH2-OE2 2.62Å; R424-E457 PolarHBondContact NH2-OE2 3.12Å
425H90.4Very high90.2Very high50 Ų5035 Ų3523%0.23120%0.2CC..Hα-helixtrans-61-43.2177.7177.4-95.3000112.1S421 Y422 N429 S521 P522S421-H425 WeakPolarHBondContact O-CB 3.35Å; S421-H425 PolarHBondContact O-N 3.42Å; Y422-H425 PolarHBondContact O-N 3.43Å; H425-N429 PolarHBondContact CE1-ND2 2.86Å; H425-N429 VanDerWaalsContact CE1-ND2 3.26Å; H425-N429 PolarHBondContact NE2-ND2 2.84Å; H425-N429 PolarHBondContact O-N 3.19Å; H425-N429 PolarHBondContact O-ND2 3.06Å; H425-S521 WeakPolarHBondContact CA-OG 3.16Å; H425-P522 PolarHBondContact CD2-O 3.4Å
426K90.4Very high89.6Confident82 Ų8243.2 Ų43.236%0.35724%0.236SC..Hα-helixtrans-64.3-44.4174.5-74.3-66.8-174.5178.90111.4L126 Y422 V423 R424 C428 N429 L430L126-K426 HydrophobicContact CD1-CG 4.46Å; L126-K426 HydrophobicContact CD2-CB 4.06Å; L126-K426 HydrophobicContact CD2-CG 4.41Å; Y422-K426 HydrophobicContact CD2-CG 4.25Å; Y422-K426 HydrophobicContact CE1-CG 4.09Å; Y422-K426 HydrophobicContact CE2-CD 4.25Å; Y422-K426 VanDerWaalsContact CE2-CE 3.44Å; Y422-K426 HydrophobicContact CE2-CG 3.77Å; Y422-K426 WeakPolarHBondContact O-CB 3.39Å; Y422-K426 WeakPolarHBondContact O-CG 3.38Å; Y422-K426 PolarHBondContact O-N 2.62Å; Y422-K426 VanDerWaalsContact OH-CE 3.25Å; Y422-K426 WeakPolarHBondContact OH-CE 3.32Å; V423-K426 PolarHBondContact O-N 3.42Å; R424-K426 PolarHBondContact O-N 3.27Å; K426-C428 VanDerWaalsContact C-N 3.27Å; K426-C428 PolarHBondContact O-N 3.27Å; K426-N429 CarbonylContact O-C 3.5Å; K426-N429 PolarHBondContact O-N 3.23Å; K426-L430 HydrophobicContact CB-CD1 4.43Å; K426-L430 WeakPolarHBondContact O-CD1 3.35Å; K426-L430 PolarHBondContact O-N 3.49Å; K426-L430 VanDerWaalsContact O-N 3.08Å
427S88.4Confident89.2Confident10 Ų1047.5 Ų47.57%0.0727%0.271CS..Hα-helixtrans-56.8-37.2179.2-58.40000113.2V423 R424 N429 Y445V423-S427 VanDerWaalsContact O-CB 3.3Å; V423-S427 WeakPolarHBondContact O-CB 3.25Å; V423-S427 PolarHBondContact O-N 2.71Å; V423-S427 PolarHBondContact O-OG 2.84Å; R424-S427 WeakPolarHBondContact O-CB 3.33Å; R424-S427 PolarHBondContact O-N 3.34Å; S427-N429 VanDerWaalsContact C-N 3.32Å; S427-Y445 WeakPolarHBondContact OG-CE1 3.42Å
428C85Confident88.8Confident86 Ų8648.5 Ų48.558%0.58128%0.276SS*.Hα-helixtrans-70.5-26175.3-69.90000113.6R424 K426R424-C428 PolarHBondContact O-N 3.06Å; R424-C428 VanDerWaalsContact O-N 3.07Å; R424-C428 PolarHBondContact O-SG 2.96Å; K426-C428 VanDerWaalsContact C-N 3.27Å; K426-C428 PolarHBondContact O-N 3.27Å
429N84.7Confident88.6Confident107 Ų10753.6 Ų53.657%0.57230%0.304SS*.THydrogen-bonded Turntrans-1034.3-175.3-69.5-52.9000113.6H425 K426 S427H425-N429 PolarHBondContact CE1-ND2 2.86Å; H425-N429 VanDerWaalsContact CE1-ND2 3.26Å; H425-N429 PolarHBondContact NE2-ND2 2.84Å; H425-N429 PolarHBondContact O-N 3.19Å; H425-N429 PolarHBondContact O-ND2 3.06Å; K426-N429 CarbonylContact O-C 3.5Å; K426-N429 PolarHBondContact O-N 3.23Å; S427-N429 VanDerWaalsContact C-N 3.32Å
430L86.1Confident88.4Confident34 Ų3454.2 Ų54.218%0.17831%0.308CS..  trans-68.5135.9177.1-105.977.5000110.9K426 F435 Y445K426-L430 HydrophobicContact CB-CD1 4.43Å; K426-L430 WeakPolarHBondContact O-CD1 3.35Å; K426-L430 PolarHBondContact O-N 3.49Å; K426-L430 VanDerWaalsContact O-N 3.08Å; L430-F435 HydrophobicContact CB-CE1 3.95Å; L430-F435 HydrophobicContact CB-CE2 4.36Å; L430-F435 HydrophobicContact CB-CZ 3.64Å; L430-F435 HydrophobicContact CD2-CD1 4.22Å; L430-F435 HydrophobicContact CD2-CE1 3.72Å; L430-F435 HydrophobicContact CD2-CZ 4.31Å; L430-F435 HydrophobicContact CG-CE1 4.49Å; L430-Y445 HydrophobicContact CD2-CD1 4.46Å; L430-Y445 HydrophobicContact CD2-CD2 4.47Å; L430-Y445 HydrophobicContact CD2-CE1 3.89Å; L430-Y445 HydrophobicContact CD2-CE2 3.89Å
431S84.5Confident88.3Confident54 Ų5456.4 Ų56.438%0.37832%0.323SS..  trans-80.8159.5174.959.50000111.8S433 S434S431-S433 PolarHBondContact O-N 3.23Å; S431-S433 VanDerWaalsContact O-N 3.16Å; S431-S433 PolarHBondContact OG-OG 2.97Å; S431-S434 WeakPolarHBondContact O-CB 3.5Å; S431-S434 PolarHBondContact O-N 3.1Å; S431-S434 PolarHBondContact OG-OG 3.21Å
432T81.4Confident88.3Confident110 Ų11061.3 Ų61.368%0.67535%0.346SS*.Hα-helixtrans-59.2-25.917547.80000113.6K436T432-K436 PolarHBondContact O-N 3.33Å
433S81.6Confident88.1Confident75 Ų7564 Ų6452%0.52437%0.366SS..Hα-helixtrans-67.9-35.3173.652.70000113.2S431 K436 A437S431-S433 PolarHBondContact O-N 3.23Å; S431-S433 VanDerWaalsContact O-N 3.16Å; S431-S433 PolarHBondContact OG-OG 2.97Å; S433-K436 PolarHBondContact O-N 2.93Å; S433-A437 PolarHBondContact O-N 3.48Å; S433-A437 VanDerWaalsContact O-N 3.13Å
434S83.8Confident88.1Confident41 Ų4166.2 Ų66.229%0.28738%0.376SS..Hα-helixtrans-66.9-39.8177.8-59.70000111.8S431 K436 A437 I438S431-S434 WeakPolarHBondContact O-CB 3.5Å; S431-S434 PolarHBondContact O-N 3.1Å; S431-S434 PolarHBondContact OG-OG 3.21Å; S434-K436 VanDerWaalsContact C-N 3.32Å; S434-K436 PolarHBondContact O-N 3.12Å; S434-A437 PolarHBondContact O-N 3.12Å; S434-I438 WeakPolarHBondContact O-CG1 3.47Å; S434-I438 PolarHBondContact O-N 3.08Å; S434-I438 VanDerWaalsContact O-N 3.15Å
435F86.9Confident88.3Confident14 Ų1464.6 Ų64.66%0.06137%0.37CS..Hα-helixtrans-63.5-37.7176.3-59.3-50.3000112.4L430 I438 D439 C440 Q442 Y445L430-F435 HydrophobicContact CB-CE1 3.95Å; L430-F435 HydrophobicContact CB-CE2 4.36Å; L430-F435 HydrophobicContact CB-CZ 3.64Å; L430-F435 HydrophobicContact CD2-CD1 4.22Å; L430-F435 HydrophobicContact CD2-CE1 3.72Å; L430-F435 HydrophobicContact CD2-CZ 4.31Å; L430-F435 HydrophobicContact CG-CE1 4.49Å; F435-I438 PolarHBondContact O-N 2.96Å; F435-D439 PolarHBondContact O-N 3.5Å; F435-C440 PolarHBondContact O-N 3.05Å; F435-C440 VanDerWaalsContact O-N 3.17Å; F435-Q442 HydrophobicContact CD2-CB 4.21Å; F435-Q442 HydrophobicContact CE2-CB 4Å; F435-Q442 HydrophobicContact CE2-CG 3.9Å; F435-Q442 HydrophobicContact CZ-CB 4.29Å; F435-Q442 HydrophobicContact CZ-CG 3.95Å; F435-Y445 HydrophobicContact CD1-CD2 4.32Å; F435-Y445 HydrophobicContact CD1-CG 4.08Å; F435-Y445 AromaticContact CE1-CD1 3.84Å; F435-Y445 HydrophobicContact CE1-CD1 3.84Å; F435-Y445 HydrophobicContact CE1-CD2 4.25Å; F435-Y445 AromaticContact CE1-CG 3.69Å; F435-Y445 HydrophobicContact CE1-CG 3.69Å
436K84.8Confident88.4Confident175 Ų17566 Ų6676%0.76138%0.376SS*.Hα-helixtrans-64.7-39.3173.8-69.9-177.5-179.8-176.20112.4T432 S433 S434 I438 D439T432-K436 PolarHBondContact O-N 3.33Å; S433-K436 PolarHBondContact O-N 2.93Å; S434-K436 VanDerWaalsContact C-N 3.32Å; S434-K436 PolarHBondContact O-N 3.12Å; K436-I438 VanDerWaalsContact C-N 3.29Å; K436-I438 PolarHBondContact O-N 2.92Å; K436-D439 PolarHBondContact O-N 3.45Å
437A88.1Confident88.6Confident90 Ų9066.4 Ų66.474%0.74438%0.382SS*.Hα-helixtrans-65.8-32.317800000112.7S433 S434 D439S433-A437 PolarHBondContact O-N 3.48Å; S433-A437 VanDerWaalsContact O-N 3.13Å; S434-A437 PolarHBondContact O-N 3.12Å; A437-D439 VanDerWaalsContact C-N 3.34Å
438I88.3Confident89Confident21 Ų2165.9 Ų65.911%0.10838%0.379CS..Hα-helixtrans-85.7-10.8177.9-58.2164.2000111.6I119 H122 S434 F435 K436 C440 Y445I119-I438 HydrophobicContact CG1-CG2 4.05Å; H122-I438 HydrophobicContact CB-CD1 4.33Å; S434-I438 WeakPolarHBondContact O-CG1 3.47Å; S434-I438 PolarHBondContact O-N 3.08Å; S434-I438 VanDerWaalsContact O-N 3.15Å; F435-I438 PolarHBondContact O-N 2.96Å; K436-I438 VanDerWaalsContact C-N 3.29Å; K436-I438 PolarHBondContact O-N 2.92Å; I438-C440 HydrophobicContact CG2-CB 4.44Å; I438-Y445 HydrophobicContact CD1-CD2 4.09Å; I438-Y445 HydrophobicContact CD1-CE2 3.74Å
439D91.1Very high89.6Confident109 Ų10962 Ų6258%0.58335%0.352SS*.THydrogen-bonded Turntrans58.552.6-176-176.441.8000111.8K118 F435 K436 A437K118-D439 IonicContact NZ-OD2 2.8Å; K118-D439 PolarHBondContact NZ-OD2 3.31Å; F435-D439 PolarHBondContact O-N 3.5Å; K436-D439 PolarHBondContact O-N 3.45Å; A437-D439 VanDerWaalsContact C-N 3.34Å
440C92.3Very high90.1Very high17 Ų1758.9 Ų58.912%0.11534%0.336CS..  trans-144.2159.4177.967.80000112.5T115 I119 F435 I438 Q444T115-C440 HydrophobicContact CG2-CB 4.39Å; I119-C440 HydrophobicContact CD1-CB 3.89Å; I119-C440 HydrophobicContact CG1-CB 4.08Å; F435-C440 PolarHBondContact O-N 3.05Å; F435-C440 VanDerWaalsContact O-N 3.17Å; I438-C440 HydrophobicContact CG2-CB 4.44Å; C440-Q444 HydrophobicContact CB-CB 4.37Å
441S92.6Very high90.6Very high45 Ų4557.6 Ų57.632%0.31533%0.33SS..  trans-78.3158.4169.579.60000111.4T443 Q444 Y445S441-T443 VanDerWaalsContact C-N 3.26Å; S441-T443 PolarHBondContact O-N 3.42Å; S441-T443 PolarHBondContact OG-N 3.45Å; S441-T443 PolarHBondContact OG-OG1 3.45Å; S441-Q444 PolarHBondContact O-N 3.34Å; S441-Q444 WeakPolarHBondContact OG-CB 3.37Å; S441-Q444 VanDerWaalsContact OG-CG 3.23Å; S441-Q444 WeakPolarHBondContact OG-CG 3.37Å; S441-Q444 PolarHBondContact OG-N 3.22Å; S441-Y445 PolarHBondContact O-N 2.88Å
442Q92.4Very high91.2Very high105 Ų10555 Ų5549%0.49131%0.312SS..Hα-helixtrans-57.3-40.3173.7-178.7177.33.900112F435 Y445 Q446F435-Q442 HydrophobicContact CD2-CB 4.21Å; F435-Q442 HydrophobicContact CE2-CB 4Å; F435-Q442 HydrophobicContact CE2-CG 3.9Å; F435-Q442 HydrophobicContact CZ-CB 4.29Å; F435-Q442 HydrophobicContact CZ-CG 3.95Å; Q442-Y445 PolarHBondContact O-N 3.49Å; Q442-Q446 HydrophobicContact CG-CG 4.42Å; Q442-Q446 WeakPolarHBondContact O-CB 3.39Å; Q442-Q446 VanDerWaalsContact O-CG 3.25Å; Q442-Q446 WeakPolarHBondContact O-CG 3.47Å; Q442-Q446 PolarHBondContact O-N 3.49Å
443T91.6Very high91.9Very high85 Ų8549.8 Ų49.852%0.52128%0.28SS..Hα-helixtrans-67.3-40178.751.40000112.1S441 Q446 L447S441-T443 VanDerWaalsContact C-N 3.26Å; S441-T443 PolarHBondContact O-N 3.42Å; S441-T443 PolarHBondContact OG-N 3.45Å; S441-T443 PolarHBondContact OG-OG1 3.45Å; T443-Q446 PolarHBondContact O-N 2.82Å; T443-L447 WeakPolarHBondContact O-CB 3.24Å; T443-L447 WeakPolarHBondContact O-CG 3.39Å; T443-L447 PolarHBondContact O-N 2.89Å; T443-L447 VanDerWaalsContact O-N 3.09Å
444Q94.7Very high92.6Very high46 Ų4651 Ų5122%0.21527%0.273CS..Hα-helixtrans-60.6-49.3174-75.1169.7-23.700110.9F111 T115 I119 C440 S441 Q446 L447 V448F111-Q444 HydrophobicContact CD1-CG 4.11Å; F111-Q444 HydrophobicContact CD2-CB 4.26Å; F111-Q444 HydrophobicContact CD2-CG 3.89Å; F111-Q444 HydrophobicContact CE1-CG 3.93Å; F111-Q444 HydrophobicContact CE2-CB 4.05Å; F111-Q444 HydrophobicContact CE2-CG 3.75Å; F111-Q444 HydrophobicContact CG-CG 4.12Å; F111-Q444 HydrophobicContact CZ-CB 4.44Å; F111-Q444 HydrophobicContact CZ-CG 3.76Å; T115-Q444 HydrophobicContact CG2-CB 4.38Å; T115-Q444 HydrophobicContact CG2-CG 4.4Å; I119-Q444 HydrophobicContact CD1-CB 4.12Å; C440-Q444 HydrophobicContact CB-CB 4.37Å; S441-Q444 PolarHBondContact O-N 3.34Å; S441-Q444 WeakPolarHBondContact OG-CB 3.37Å; S441-Q444 VanDerWaalsContact OG-CG 3.23Å; S441-Q444 WeakPolarHBondContact OG-CG 3.37Å; S441-Q444 PolarHBondContact OG-N 3.22Å; Q444-Q446 PolarHBondContact O-N 3.35Å; Q444-L447 PolarHBondContact O-N 2.97Å; Q444-V448 VanDerWaalsContact O-CG2 3.32Å; Q444-V448 WeakPolarHBondContact O-CG2 3.18Å; Q444-V448 PolarHBondContact O-N 3.38Å; Q444-V448 VanDerWaalsContact O-N 3.09Å
445Y95.4Very high93.2Very high0 Ų049.1 Ų49.10%026%0.26CS..Hα-helixtrans-58.9-49.6178.2-171.2-85.6000112I119 H122 S427 L430 F435 I438 S441 Q442 L447 V448 A449I119-Y445 HydrophobicContact CG1-CD2 4.37Å; I119-Y445 HydrophobicContact CG2-CD2 3.74Å; I119-Y445 HydrophobicContact CG2-CE2 4.04Å; I119-Y445 HydrophobicContact CG2-CG 4.38Å; H122-Y445 AromaticContact CD2-CE2 3.66Å; H122-Y445 PolarHBondContact CD2-OH 2.9Å; S427-Y445 WeakPolarHBondContact OG-CE1 3.42Å; L430-Y445 HydrophobicContact CD2-CD1 4.46Å; L430-Y445 HydrophobicContact CD2-CD2 4.47Å; L430-Y445 HydrophobicContact CD2-CE1 3.89Å; L430-Y445 HydrophobicContact CD2-CE2 3.89Å; F435-Y445 HydrophobicContact CD1-CD2 4.32Å; F435-Y445 HydrophobicContact CD1-CG 4.08Å; F435-Y445 AromaticContact CE1-CD1 3.84Å; F435-Y445 HydrophobicContact CE1-CD1 3.84Å; F435-Y445 HydrophobicContact CE1-CD2 4.25Å; F435-Y445 AromaticContact CE1-CG 3.69Å; F435-Y445 HydrophobicContact CE1-CG 3.69Å; I438-Y445 HydrophobicContact CD1-CD2 4.09Å; I438-Y445 HydrophobicContact CD1-CE2 3.74Å; S441-Y445 PolarHBondContact O-N 2.88Å; Q442-Y445 PolarHBondContact O-N 3.49Å; Y445-L447 PolarHBondContact O-N 2.88Å; Y445-V448 PolarHBondContact O-N 3.33Å; Y445-A449 HydrophobicContact CD1-CB 4.31Å; Y445-A449 HydrophobicContact CE1-CB 4.17Å; Y445-A449 WeakPolarHBondContact O-CB 3.26Å; Y445-A449 PolarHBondContact O-N 3.5Å
446Q93.3Very high93.7Very high79 Ų7948.5 Ų48.537%0.36926%0.257SS..Hα-helixtrans-61.6-42.9-177.4-76173.9-20.300112.8Q442 T443 Q444 D450Q442-Q446 HydrophobicContact CG-CG 4.42Å; Q442-Q446 WeakPolarHBondContact O-CB 3.39Å; Q442-Q446 VanDerWaalsContact O-CG 3.25Å; Q442-Q446 WeakPolarHBondContact O-CG 3.47Å; Q442-Q446 PolarHBondContact O-N 3.49Å; T443-Q446 PolarHBondContact O-N 2.82Å; Q444-Q446 PolarHBondContact O-N 3.35Å; Q446-D450 WeakPolarHBondContact O-CB 3.19Å; Q446-D450 PolarHBondContact O-N 2.88Å
447L94.5Very high94.2Very high91 Ų9140.4 Ų40.448%0.47622%0.222SC..Hα-helixtrans-69.3-40.7179.7-73170.4000112.2F111 T443 Q444 Y445 A451F111-L447 HydrophobicContact CE2-CB 4.11Å; F111-L447 HydrophobicContact CE2-CD1 3.8Å; F111-L447 HydrophobicContact CZ-CD1 3.67Å; T443-L447 WeakPolarHBondContact O-CB 3.24Å; T443-L447 WeakPolarHBondContact O-CG 3.39Å; T443-L447 PolarHBondContact O-N 2.89Å; T443-L447 VanDerWaalsContact O-N 3.09Å; Q444-L447 PolarHBondContact O-N 2.97Å; Y445-L447 PolarHBondContact O-N 2.88Å; L447-A451 WeakPolarHBondContact O-CB 3.41Å; L447-A451 PolarHBondContact O-N 2.83Å
448V96.6Very high94.5Very high0 Ų037.5 Ų37.50%020%0.196CC..Hα-helixtrans-68.9-41.4176.1177.10000110.9Y106 I109 V116 I119 L123 Q444 Y445 D450 A451 F452Y106-V448 HydrophobicContact CD1-CG1 4.45Å; Y106-V448 HydrophobicContact CE1-CG1 3.75Å; I109-V448 HydrophobicContact CD1-CB 4.38Å; I109-V448 HydrophobicContact CD1-CG2 3.86Å; V116-V448 HydrophobicContact CB-CG2 4.46Å; V116-V448 HydrophobicContact CG1-CG1 4.17Å; V116-V448 HydrophobicContact CG1-CG2 4.29Å; V116-V448 HydrophobicContact CG2-CG2 4.13Å; I119-V448 HydrophobicContact CB-CB 4.22Å; I119-V448 HydrophobicContact CB-CG1 3.86Å; I119-V448 HydrophobicContact CD1-CB 4.18Å; I119-V448 HydrophobicContact CD1-CG2 3.93Å; I119-V448 HydrophobicContact CG2-CB 3.8Å; I119-V448 HydrophobicContact CG2-CG1 3.6Å; L123-V448 HydrophobicContact CD1-CG1 4.43Å; Q444-V448 VanDerWaalsContact O-CG2 3.32Å; Q444-V448 WeakPolarHBondContact O-CG2 3.18Å; Q444-V448 PolarHBondContact O-N 3.38Å; Q444-V448 VanDerWaalsContact O-N 3.09Å; Y445-V448 PolarHBondContact O-N 3.33Å; V448-D450 PolarHBondContact O-N 2.82Å; V448-A451 PolarHBondContact O-N 3.4Å; V448-F452 WeakPolarHBondContact O-CB 3.25Å; V448-F452 PolarHBondContact O-N 2.84Å
449A96.4Very high94.9Very high3 Ų336.5 Ų36.53%0.02519%0.191CC..Hα-helixtrans-62.6-41.1175.500000112L123 V423 Y445 F452 C453L123-A449 HydrophobicContact CD1-CB 4.13Å; L123-A449 HydrophobicContact CD2-CB 4.24Å; V423-A449 HydrophobicContact CG1-CB 4.24Å; Y445-A449 HydrophobicContact CD1-CB 4.31Å; Y445-A449 HydrophobicContact CE1-CB 4.17Å; Y445-A449 WeakPolarHBondContact O-CB 3.26Å; Y445-A449 PolarHBondContact O-N 3.5Å; A449-F452 WeakPolarHBondContact O-CB 3.17Å; A449-F452 PolarHBondContact O-N 3.49Å; A449-C453 WeakPolarHBondContact O-CB 3.49Å; A449-C453 PolarHBondContact O-N 2.9Å; A449-C453 PolarHBondContact O-SG 3.02Å
450D95.1Very high95.1Very high43 Ų4331.3 Ų31.323%0.2316%0.163CC..Hα-helixtrans-65.9-42.4175.4-172.957.4000111.7R424 Q446 V448 F452 C453 R454R424-D450 IonicContact NE-OD1 2.77Å; R424-D450 IonicContact NH2-OD1 2.88Å; Q446-D450 WeakPolarHBondContact O-CB 3.19Å; Q446-D450 PolarHBondContact O-N 2.88Å; V448-D450 PolarHBondContact O-N 2.82Å; D450-F452 VanDerWaalsContact C-N 3.32Å; D450-F452 PolarHBondContact O-N 3.35Å; D450-C453 PolarHBondContact O-N 2.9Å; D450-R454 WeakPolarHBondContact O-CG 3.46Å; D450-R454 PolarHBondContact O-N 2.93Å; D450-R454 IonicContact OD1-NE 3.93Å; D450-R454 IonicContact OD2-CZ 3.34Å; D450-R454 IonicContact OD2-NE 2.78Å; D450-R454 PolarHBondContact OD2-NE 3.11Å; D450-R454 IonicContact OD2-NH2 3.51Å; D450-R454 PolarHBondContact OD2-NH2 3.48Å
451A96.5Very high95.1Very high7 Ų732 Ų326%0.05817%0.168CC..Hα-helixtrans-61.3-37.7173.600000113.1N105 Y106 I109 L447 V448 S455N105-A451 HydrophobicContact CB-CB 4.07Å; Y106-A451 HydrophobicContact CD1-CB 3.97Å; Y106-A451 HydrophobicContact CE1-CB 4.09Å; I109-A451 HydrophobicContact CD1-CB 3.69Å; I109-A451 HydrophobicContact CG1-CB 4.47Å; L447-A451 WeakPolarHBondContact O-CB 3.41Å; L447-A451 PolarHBondContact O-N 2.83Å; V448-A451 PolarHBondContact O-N 3.4Å; A451-S455 PolarHBondContact O-N 3.07Å; A451-S455 VanDerWaalsContact O-N 3.08Å; A451-S455 PolarHBondContact O-OG 2.99Å
452F97.8Very high95.2Very high0 Ų030.4 Ų30.40%016%0.157CC..Hα-helixtrans-64-47.1173.1-175.1-88000111.2L102 Y106 L123 V423 V448 A449 D450 R454 S455 L456 L551 V555L102-F452 HydrophobicContact CD2-CD2 3.71Å; L102-F452 HydrophobicContact CD2-CE2 4.32Å; L102-F452 HydrophobicContact CD2-CG 4.37Å; Y106-F452 WeakPolarHBondContact OH-CD2 3.45Å; L123-F452 HydrophobicContact CB-CD2 4.38Å; L123-F452 HydrophobicContact CB-CE2 4.36Å; L123-F452 HydrophobicContact CB-CG 4.48Å; L123-F452 HydrophobicContact CB-CZ 4.48Å; L123-F452 HydrophobicContact CD1-CB 3.83Å; L123-F452 HydrophobicContact CD1-CD2 4.31Å; L123-F452 HydrophobicContact CD1-CG 4.01Å; V423-F452 HydrophobicContact CG2-CE1 4.48Å; V448-F452 WeakPolarHBondContact O-CB 3.25Å; V448-F452 PolarHBondContact O-N 2.84Å; A449-F452 WeakPolarHBondContact O-CB 3.17Å; A449-F452 PolarHBondContact O-N 3.49Å; D450-F452 VanDerWaalsContact C-N 3.32Å; D450-F452 PolarHBondContact O-N 3.35Å; F452-R454 PolarHBondContact O-N 3.2Å; F452-S455 WeakPolarHBondContact O-CB 3.27Å; F452-S455 PolarHBondContact O-N 2.77Å; F452-S455 VanDerWaalsContact O-N 3.12Å; F452-L456 HydrophobicContact CD1-CD1 3.99Å; F452-L456 HydrophobicContact CE1-CD1 3.65Å; F452-L456 HydrophobicContact CE1-CG 4.25Å; F452-L456 PolarHBondContact O-N 3.42Å; F452-L456 VanDerWaalsContact O-N 3.12Å; F452-L551 HydrophobicContact CZ-CD1 4.29Å; F452-V555 HydrophobicContact CE2-CG2 3.65Å; F452-V555 HydrophobicContact CZ-CG2 4.24Å
453C96.6Very high95.1Very high0 Ų026.5 Ų26.50%014%0.139CC..Hα-helixtrans-61.9-44.1178-66.80000112.3A420 V423 R424 A449 D450 S455 L456 E457A420-C453 HydrophobicContact CB-CB 3.93Å; A420-C453 PolarHBondContact O-SG 2.85Å; V423-C453 VanDerWaalsContact CG1-SG 3.52Å; R424-C453 HydrophobicContact CG-CB 4.41Å; A449-C453 WeakPolarHBondContact O-CB 3.49Å; A449-C453 PolarHBondContact O-N 2.9Å; A449-C453 PolarHBondContact O-SG 3.02Å; D450-C453 PolarHBondContact O-N 2.9Å; C453-S455 PolarHBondContact O-N 3.37Å; C453-L456 WeakPolarHBondContact O-CB 3.45Å; C453-L456 PolarHBondContact O-N 3.25Å; C453-E457 WeakPolarHBondContact O-CG 3.37Å; C453-E457 PolarHBondContact O-N 3.4Å
454R95.2Very high95Very high101 Ų10124.4 Ų24.438%0.38113%0.125SC..Hα-helixtrans-61.2-33.3174.8-71.2-178.9-162.1-167.37.6112.1D450 F452 E457 S458 H518D450-R454 WeakPolarHBondContact O-CG 3.46Å; D450-R454 PolarHBondContact O-N 2.93Å; D450-R454 IonicContact OD1-NE 3.93Å; D450-R454 IonicContact OD2-CZ 3.34Å; D450-R454 IonicContact OD2-NE 2.78Å; D450-R454 PolarHBondContact OD2-NE 3.11Å; D450-R454 IonicContact OD2-NH2 3.51Å; D450-R454 PolarHBondContact OD2-NH2 3.48Å; F452-R454 PolarHBondContact O-N 3.2Å; R454-E457 PolarHBondContact O-N 3.2Å; R454-S458 WeakPolarHBondContact O-CB 3.37Å; R454-S458 PolarHBondContact O-N 3.46Å; R454-H518 PolarHBondContact NH2-CE1 3.11Å; R454-H518 PolarHBondContact NH2-ND1 3.44Å
455S97.6Very high94.6Very high0 Ų023.8 Ų23.80%012%0.122CC..Hα-helixtrans-67.7-41.5176.3-55.90000112.2S101 N105 A451 F452 C453 S458 V459S101-S455 PolarHBondContact O-OG 3.24Å; S101-S455 WeakPolarHBondContact OG-CA 3.37Å; N105-S455 PolarHBondContact ND2-OG 3.04Å; A451-S455 PolarHBondContact O-N 3.07Å; A451-S455 VanDerWaalsContact O-N 3.08Å; A451-S455 PolarHBondContact O-OG 2.99Å; F452-S455 WeakPolarHBondContact O-CB 3.27Å; F452-S455 PolarHBondContact O-N 2.77Å; F452-S455 VanDerWaalsContact O-N 3.12Å; C453-S455 PolarHBondContact O-N 3.37Å; S455-S458 PolarHBondContact O-N 2.91Å; S455-V459 WeakPolarHBondContact O-CG2 3.36Å; S455-V459 PolarHBondContact O-N 3.44Å
456L97.6Very high93.9Very high1 Ų127.8 Ų27.81%0.00514%0.143CC..Hα-helixtrans-62.2-46.2172.2-70.4170.8000111.5L98 E416 L419 A420 F452 C453 S458 V459 A460 L551L98-L456 HydrophobicContact CD1-CD2 3.99Å; L98-L456 HydrophobicContact CD1-CG 4.41Å; L98-L456 HydrophobicContact CD2-CD2 4.1Å; E416-L456 HydrophobicContact CB-CB 4.35Å; L419-L456 HydrophobicContact CB-CD1 3.82Å; A420-L456 HydrophobicContact CB-CB 4.3Å; A420-L456 HydrophobicContact CB-CD1 4.33Å; F452-L456 HydrophobicContact CD1-CD1 3.99Å; F452-L456 HydrophobicContact CE1-CD1 3.65Å; F452-L456 HydrophobicContact CE1-CG 4.25Å; F452-L456 PolarHBondContact O-N 3.42Å; F452-L456 VanDerWaalsContact O-N 3.12Å; C453-L456 WeakPolarHBondContact O-CB 3.45Å; C453-L456 PolarHBondContact O-N 3.25Å; L456-S458 VanDerWaalsContact C-N 3.32Å; L456-S458 PolarHBondContact O-N 2.86Å; L456-V459 WeakPolarHBondContact O-CB 3.28Å; L456-V459 PolarHBondContact O-N 3.06Å; L456-A460 PolarHBondContact O-N 3.36Å; L456-L551 HydrophobicContact CD2-CD1 4.32Å
457E95.6Very high92.9Very high6 Ų631.3 Ų31.33%0.02816%0.164CC..Hα-helixtrans-64.7-36.3178.8-69.6167.2167.300112.1A420 R424 C453 R454 V459 A460 C461 R513 L515A420-E457 HydrophobicContact CB-CG 3.88Å; R424-E457 IonicContact CZ-OE1 3.7Å; R424-E457 VanDerWaalsContact CZ-OE1 3.24Å; R424-E457 IonicContact CZ-OE2 3.02Å; R424-E457 IonicContact NH1-OE1 2.67Å; R424-E457 PolarHBondContact NH1-OE1 3.15Å; R424-E457 IonicContact NH1-OE2 3.91Å; R424-E457 IonicContact NH2-OE1 3.07Å; R424-E457 PolarHBondContact NH2-OE1 3.2Å; R424-E457 IonicContact NH2-OE2 2.62Å; R424-E457 PolarHBondContact NH2-OE2 3.12Å; C453-E457 WeakPolarHBondContact O-CG 3.37Å; C453-E457 PolarHBondContact O-N 3.4Å; R454-E457 PolarHBondContact O-N 3.2Å; E457-V459 PolarHBondContact O-N 3.43Å; E457-A460 PolarHBondContact O-N 3.11Å; E457-A460 VanDerWaalsContact O-N 3.17Å; E457-C461 WeakPolarHBondContact O-CB 3.25Å; E457-C461 PolarHBondContact O-N 2.77Å; E457-C461 PolarHBondContact O-SG 2.82Å; E457-R513 IonicContact OE1-CZ 2.83Å; E457-R513 IonicContact OE1-NH2 2.95Å; E457-R513 PolarHBondContact OE1-NH2 3.3Å; E457-R513 IonicContact OE2-NH2 2.84Å; E457-L515 HydrophobicContact CB-CD1 4.46Å; E457-L515 HydrophobicContact CB-CD2 4.38Å; E457-L515 HydrophobicContact CG-CD2 3.88Å
458S94.2Very high92.1Very high28 Ų2827.4 Ų27.420%0.19615%0.147CC..Hα-helixtrans-59.1-33172.9-179.40000112.1K34 R454 S455 L456 S462K34-S458 PolarHBondContact NZ-OG 3.22Å; R454-S458 WeakPolarHBondContact O-CB 3.37Å; R454-S458 PolarHBondContact O-N 3.46Å; S455-S458 PolarHBondContact O-N 2.91Å; L456-S458 VanDerWaalsContact C-N 3.32Å; L456-S458 PolarHBondContact O-N 2.86Å; S458-S462 PolarHBondContact O-N 3Å; S458-S462 PolarHBondContact O-OG 3.18Å
459V96.3Very high91.5Very high0 Ų029.9 Ų29.90%016%0.16CC..Hα-helixtrans-70.2-46.6176.2-179.60000110Y37 F94 I97 L98 E416 S455 L456 E457 C461 S462Y37-V459 HydrophobicContact CE1-CG1 3.79Å; Y37-V459 WeakPolarHBondContact CE1-O 3.27Å; F94-V459 HydrophobicContact CD2-CG1 3.68Å; F94-V459 HydrophobicContact CE2-CG1 4.25Å; I97-V459 HydrophobicContact CB-CG2 4.34Å; I97-V459 HydrophobicContact CG2-CB 4.49Å; I97-V459 HydrophobicContact CG2-CG2 3.87Å; L98-V459 HydrophobicContact CB-CG2 3.83Å; L98-V459 HydrophobicContact CD1-CG2 4.13Å; E416-V459 HydrophobicContact CG-CB 4.36Å; E416-V459 HydrophobicContact CG-CG1 4.38Å; S455-V459 WeakPolarHBondContact O-CG2 3.36Å; S455-V459 PolarHBondContact O-N 3.44Å; L456-V459 WeakPolarHBondContact O-CB 3.28Å; L456-V459 PolarHBondContact O-N 3.06Å; E457-V459 PolarHBondContact O-N 3.43Å; V459-C461 VanDerWaalsContact C-N 3.34Å; V459-C461 PolarHBondContact O-N 2.99Å; V459-S462 WeakPolarHBondContact O-CB 3.35Å; V459-S462 PolarHBondContact O-N 3.44Å
460A95.2Very high91Very high0 Ų030.3 Ų30.30%016%0.162CC..Hα-helixtrans-59.1-43.7175.900000112.1E416 T417 L456 E457 S462 L463 L515E416-A460 HydrophobicContact CB-CB 4.19Å; T417-A460 HydrophobicContact CG2-CB 3.83Å; L456-A460 PolarHBondContact O-N 3.36Å; E457-A460 PolarHBondContact O-N 3.11Å; E457-A460 VanDerWaalsContact O-N 3.17Å; A460-S462 PolarHBondContact O-N 3.4Å; A460-L463 WeakPolarHBondContact O-CB 3.38Å; A460-L463 PolarHBondContact O-N 2.82Å; A460-L463 VanDerWaalsContact O-N 3.17Å; A460-L515 HydrophobicContact CB-CD1 4.45Å
461C92.6Very high90.7Very high31 Ų3128.4 Ų28.421%0.20915%0.152CC..Hα-helixtrans-61.2-27.8175.6-700000113E457 V459 L463 N464E457-C461 WeakPolarHBondContact O-CB 3.25Å; E457-C461 PolarHBondContact O-N 2.77Å; E457-C461 PolarHBondContact O-SG 2.82Å; V459-C461 VanDerWaalsContact C-N 3.34Å; V459-C461 PolarHBondContact O-N 2.99Å; C461-L463 PolarHBondContact O-N 3.47Å; C461-N464 PolarHBondContact O-N 3.27Å; C461-N464 VanDerWaalsContact O-N 3.14Å
462S93.4Very high90.4Very high12 Ų1228.1 Ų28.18%0.08415%0.149CC..THydrogen-bonded Turntrans-71.3-7.2179.7-56.60000113.5K34 S458 V459 A460 N464 H465K34-S462 WeakPolarHBondContact CG-OG 3.42Å; S458-S462 PolarHBondContact O-N 3Å; S458-S462 PolarHBondContact O-OG 3.18Å; V459-S462 WeakPolarHBondContact O-CB 3.35Å; V459-S462 PolarHBondContact O-N 3.44Å; A460-S462 PolarHBondContact O-N 3.4Å; S462-N464 VanDerWaalsContact C-N 3.27Å; S462-H465 PolarHBondContact O-CE1 3.48Å; S462-H465 PolarHBondContact O-NE2 3.06Å
463L92Very high89.9Confident23 Ų2328.1 Ų28.112%0.1215%0.149CC..THydrogen-bonded Turntrans-74.7-19.5171.2-68.5168.6000112.5Y37 A460 C461 H465 F481Y37-L463 HydrophobicContact CD1-CD2 3.58Å; Y37-L463 HydrophobicContact CD1-CG 3.83Å; Y37-L463 HydrophobicContact CE1-CD1 4.39Å; Y37-L463 HydrophobicContact CE1-CD2 3.47Å; Y37-L463 VanDerWaalsContact CE1-CD2 3.47Å; Y37-L463 HydrophobicContact CE1-CG 3.63Å; Y37-L463 HydrophobicContact CG-CD2 4.36Å; A460-L463 WeakPolarHBondContact O-CB 3.38Å; A460-L463 PolarHBondContact O-N 2.82Å; A460-L463 VanDerWaalsContact O-N 3.17Å; C461-L463 PolarHBondContact O-N 3.47Å; L463-H465 PolarHBondContact O-CD2 2.85Å; L463-F481 HydrophobicContact CB-CE1 3.75Å; L463-F481 HydrophobicContact CB-CZ 3.65Å; L463-F481 HydrophobicContact CD1-CZ 3.77Å; L463-F481 HydrophobicContact CG-CZ 4.35Å
464N89Confident89.2Confident42 Ų4229.8 Ų29.823%0.22516%0.157CC..  trans-97.7125.3179.8-18059.2000111C461 S462 G468 V470 F481C461-N464 PolarHBondContact O-N 3.27Å; C461-N464 VanDerWaalsContact O-N 3.14Å; S462-N464 VanDerWaalsContact C-N 3.27Å; N464-G468 WeakPolarHBondContact ND2-CA 3.24Å; N464-G468 PolarHBondContact ND2-N 3.02Å; N464-G468 VanDerWaalsContact ND2-N 3.1Å; N464-G468 PolarHBondContact ND2-O 3.19Å; N464-V470 HydrophobicContact CB-CG2 3.73Å; N464-F481 HydrophobicContact CB-CD1 4.05Å; N464-F481 HydrophobicContact CB-CE1 4.25Å
465H86.1Confident88.7Confident33 Ų3326.5 Ų26.515%0.15315%0.149CC..  trans-119.5-4.4-174.3-64.9-87.2000114.4K34 Y37 A40 G41 R42 S462 L463K34-H465 PolarHBondContact O-CE1 3.29Å; K34-H465 VanDerWaalsContact O-CE1 3.24Å; Y37-H465 PolarHBondContact O-NE2 2.74Å; A40-H465 VanDerWaalsContact C-CD2 3.5Å; A40-H465 PolarHBondContact O-CD2 2.98Å; G41-H465 WeakPolarHBondContact CA-NE2 3.31Å; R42-H465 PolarHBondContact NH2-O 3.46Å; R42-H465 VanDerWaalsContact NH2-O 3.07Å; S462-H465 PolarHBondContact O-CE1 3.48Å; S462-H465 PolarHBondContact O-NE2 3.06Å; L463-H465 PolarHBondContact O-CD2 2.85Å
466D80.6Confident88Confident83 Ų8327.8 Ų27.844%0.44415%0.154SC..SBendtrans-116.332.9-170.8-58.4-39.8000112R42 G468 S484R42-D466 IonicContact CZ-OD1 2.77Å; R42-D466 IonicContact NH1-OD1 3.24Å; R42-D466 PolarHBondContact NH1-OD1 2.98Å; R42-D466 IonicContact NH2-OD1 3.87Å; R42-D466 PolarHBondContact NH2-OD1 3.3Å; D466-G468 PolarHBondContact O-N 2.86Å; D466-S484 WeakPolarHBondContact O-CB 3.23Å; D466-S484 PolarHBondContact O-OG 3.39Å
467D72.9Confident87.6Confident153 Ų15327.7 Ų27.782%0.81815%0.153SC*.SBendtrans55.421.2178.9-58.3-40.6000114.9
468G76.7Confident87.4Confident10 Ų1027.4 Ų27.410%0.10315%0.152CC..  trans-68.3160170.500000113.1N464 D466 V482N464-G468 WeakPolarHBondContact ND2-CA 3.24Å; N464-G468 PolarHBondContact ND2-N 3.02Å; N464-G468 VanDerWaalsContact ND2-N 3.1Å; N464-G468 PolarHBondContact ND2-O 3.19Å; D466-G468 PolarHBondContact O-N 2.86Å; G468-V482 CarbonylContact C-O 3.59Å; G468-V482 WeakPolarHBondContact CA-O 3.3Å
469D83.3Confident87.3Confident52 Ų5226.1 Ų26.128%0.27814%0.143SC..EExtended strand (participates in β ladder)trans-86.6141.3174.5-73.9-49.5000110.6F471 V482D469-F471 HydrophobicContact CB-CD2 4.23Å; D469-F471 HydrophobicContact CB-CE2 3.36Å; D469-F471 HydrophobicContact CB-CZ 3.87Å; D469-V482 PolarHBondContact N-O 3.21Å; D469-V482 PolarHBondContact O-N 3.05Å
470V87.7Confident87Confident12 Ų1226.1 Ų26.17%0.07314%0.143CC..EExtended strand (participates in β ladder)trans-113.6127.8178.2-168.90000109.6N464 C479 W480 F481 L515N464-V470 HydrophobicContact CB-CG2 3.73Å; V470-C479 WeakPolarHBondContact CG1-SG 3.09Å; V470-W480 WeakPolarHBondContact CA-O 3.29Å; V470-F481 HydrophobicContact CG1-CD1 4.15Å; V470-F481 HydrophobicContact CG1-CE1 3.96Å; V470-F481 HydrophobicContact CG2-CD1 3.93Å; V470-F481 HydrophobicContact CG2-CE1 4.1Å; V470-L515 HydrophobicContact CB-CD1 4.21Å; V470-L515 HydrophobicContact CG1-CD1 3.62Å; V470-L515 HydrophobicContact CG1-CG 4.49Å; V470-L515 PolarHBondContact O-N 3.45Å; V470-L515 VanDerWaalsContact O-N 3.1Å
471F88.6Confident86.7Confident3 Ų328.9 Ų28.91%0.01316%0.155CC..EExtended strand (participates in β ladder)trans-119.6155-175.5-61.9-103.5000110.7D469 C479 W480 V482 W492 W512 R513 I514D469-F471 HydrophobicContact CB-CD2 4.23Å; D469-F471 HydrophobicContact CB-CE2 3.36Å; D469-F471 HydrophobicContact CB-CZ 3.87Å; F471-C479 CarbonylContact O-C 3.57Å; F471-C479 WeakPolarHBondContact O-CA 3.38Å; F471-W480 HydrophobicContact CB-CB 4.4Å; F471-W480 PolarHBondContact N-O 3.37Å; F471-W480 PolarHBondContact O-N 3.43Å; F471-V482 HydrophobicContact CD2-CB 4.41Å; F471-V482 HydrophobicContact CD2-CG2 3.6Å; F471-V482 HydrophobicContact CE2-CB 3.9Å; F471-V482 HydrophobicContact CE2-CG2 3.31Å; F471-V482 HydrophobicContact CZ-CG2 4.29Å; F471-W492 HydrophobicContact CE1-CD2 4.41Å; F471-W492 HydrophobicContact CE1-CG 4.49Å; F471-W492 HydrophobicContact CE2-CE3 4.37Å; F471-W492 AromaticContact CZ-CD2 3.89Å; F471-W492 HydrophobicContact CZ-CD2 3.89Å; F471-W492 AromaticContact CZ-CE3 3.97Å; F471-W492 HydrophobicContact CZ-CE3 3.97Å; F471-W492 HydrophobicContact CZ-CG 4.36Å; F471-W492 HydrophobicContact CZ-CH2 4.25Å; F471-W492 HydrophobicContact CZ-CZ2 4.26Å; F471-W492 HydrophobicContact CZ-CZ3 4.14Å; F471-W512 HydrophobicContact CB-CE3 3.93Å; F471-W512 HydrophobicContact CD1-CB 4.22Å; F471-W512 HydrophobicContact CG-CE3 4.43Å; F471-R513 CarbonylContact C-O 3.56Å; F471-R513 VanDerWaalsContact CA-O 3.3Å; F471-R513 WeakPolarHBondContact CA-O 3.41Å; F471-I514 HydrophobicContact CD1-CB 4.43Å; F471-I514 HydrophobicContact CD1-CG1 3.64Å; F471-I514 HydrophobicContact CE1-CB 4.35Å; F471-I514 HydrophobicContact CE1-CD1 4.03Å; F471-I514 HydrophobicContact CE1-CG1 3.18Å; F471-I514 HydrophobicContact CZ-CD1 4.47Å; F471-I514 HydrophobicContact CZ-CG1 3.85Å
472A89.6Confident86.2Confident1 Ų127.5 Ų27.51%0.00815%0.145CC..EExtended strand (participates in β ladder)trans-116136.7160.800000110.1T417 H478 R513 L515T417-A472 HydrophobicContact CG2-CB 4.26Å; A472-H478 WeakPolarHBondContact CA-O 3.37Å; A472-R513 PolarHBondContact N-O 3.36Å; A472-R513 PolarHBondContact O-N 3.35Å; A472-L515 HydrophobicContact CB-CD2 3.66Å
473D87Confident85.4Confident0 Ų030.5 Ų30.50%017%0.165CC..EExtended strand (participates in β ladder)trans-75.5148170.173.285.7000110.9V475 Y476 G477 H478 W480 L510 D511D473-V475 VanDerWaalsContact C-N 3.31Å; D473-V475 PolarHBondContact O-N 2.92Å; D473-V475 PolarHBondContact OD1-N 3.28Å; D473-V475 VanDerWaalsContact OD1-N 3.14Å; D473-Y476 WeakPolarHBondContact OD1-CA 3.41Å; D473-Y476 WeakPolarHBondContact OD1-CB 3.27Å; D473-Y476 PolarHBondContact OD1-N 2.78Å; D473-G477 WeakPolarHBondContact O-CA 3.15Å; D473-G477 PolarHBondContact O-N 2.67Å; D473-G477 PolarHBondContact OD1-N 2.75Å; D473-H478 PolarHBondContact N-O 2.93Å; D473-H478 WeakPolarHBondContact OD2-CA 3.4Å; D473-H478 WeakPolarHBondContact OD2-CB 3.38Å; D473-H478 IonicContact OD2-CG 2.67Å; D473-H478 PolarHBondContact OD2-N 3.42Å; D473-W480 PolarHBondContact OD2-NE1 2.99Å; D473-L510 HydrophobicContact CB-CB 4.3Å; D473-L510 HydrophobicContact CB-CD1 4.12Å; D473-D511 CarbonylContact C-O 3.47Å; D473-D511 WeakPolarHBondContact CA-O 3.32Å
474M82.9Confident84.5Confident34 Ų3432.6 Ų32.617%0.16718%0.181CC..THydrogen-bonded Turntrans-86.40.3-174.9-64.9-66.3-81.600113D511 R513 S520 P522M474-D511 HydrophobicContact CB-CB 4.11Å; M474-D511 HydrophobicContact CG-CB 4.23Å; M474-D511 PolarHBondContact N-O 3.5Å; M474-R513 HydrophobicContact CG-CB 4.43Å; M474-R513 HydrophobicContact SD-CB 3.78Å; M474-S520 WeakPolarHBondContact CE-OG 3.35Å; M474-P522 HydrophobicContact CB-CB 4.02Å; M474-P522 HydrophobicContact CE-CB 3.86Å; M474-P522 HydrophobicContact CE-CG 3.92Å; M474-P522 WeakPolarHBondContact O-CB 3.43Å; M474-P522 HydrophobicContact SD-CB 4.16Å; M474-P522 HydrophobicContact SD-CG 3.91Å
475V83.2Confident83.3Confident33 Ų3334.1 Ų34.120%0.221%0.207CC..THydrogen-bonded Turntrans-99.5-52.4-177.2-179.90000110.6D473 L510 Q525D473-V475 VanDerWaalsContact C-N 3.31Å; D473-V475 PolarHBondContact O-N 2.92Å; D473-V475 PolarHBondContact OD1-N 3.28Å; D473-V475 VanDerWaalsContact OD1-N 3.14Å; V475-L510 HydrophobicContact CB-CD2 3.84Å; V475-L510 HydrophobicContact CG1-CD2 4.49Å; V475-L510 HydrophobicContact CG2-CD2 3.62Å; V475-Q525 HydrophobicContact CG1-CB 4.16Å; V475-Q525 HydrophobicContact CG1-CG 4.17Å; V475-Q525 PolarHBondContact O-N 3Å
476Y84.5Confident82.1Confident26 Ų2636.9 Ų36.910%0.10222%0.219CC..THydrogen-bonded Turntrans-107.7-16.2-178.2-51.4-74.9000112.1H418 D473 H478 N504 Q508 L510 Q525H418-Y476 PolarHBondContact ND1-O 3.27Å; D473-Y476 WeakPolarHBondContact OD1-CA 3.41Å; D473-Y476 WeakPolarHBondContact OD1-CB 3.27Å; D473-Y476 PolarHBondContact OD1-N 2.78Å; Y476-H478 VanDerWaalsContact C-N 3.33Å; Y476-N504 WeakPolarHBondContact CD2-ND2 3.2Å; Y476-Q508 VanDerWaalsContact CE2-OE1 3.27Å; Y476-Q508 PolarHBondContact OH-OE1 3.49Å; Y476-L510 HydrophobicContact CD2-CD2 4.19Å; Y476-L510 HydrophobicContact CE2-CD2 3.91Å; Y476-Q525 HydrophobicContact CD1-CB 4.46Å; Y476-Q525 HydrophobicContact CE1-CB 4.32Å
477G87.4Confident80.8Confident0 Ų037.3 Ų37.30%023%0.228CC..  trans7127.7-176.400000112.7T417 H418 D473T417-G477 CarbonylContact C-O 3.52Å; T417-G477 VanDerWaalsContact C-O 3.27Å; T417-G477 WeakPolarHBondContact CB-O 3.19Å; T417-G477 PolarHBondContact OG1-O 3.13Å; H418-G477 WeakPolarHBondContact CA-O 3.49Å; H418-G477 PolarHBondContact N-O 2.94Å; D473-G477 WeakPolarHBondContact O-CA 3.15Å; D473-G477 PolarHBondContact O-N 2.67Å; D473-G477 PolarHBondContact OD1-N 2.75Å
478H91.6Very high80Confident0 Ų035.4 Ų35.40%023%0.227CC..  trans-81152.7177.1-66.9174.7000111.5L410 C414 A472 D473 Y476 W480 C499 I503 N504 C527L410-H478 WeakPolarHBondContact CD1-NE2 3.49Å; C414-H478 HydrophobicContact CB-CB 4.25Å; C414-H478 VanDerWaalsContact SG-CB 3.6Å; A472-H478 WeakPolarHBondContact CA-O 3.37Å; D473-H478 PolarHBondContact N-O 2.93Å; D473-H478 WeakPolarHBondContact OD2-CA 3.4Å; D473-H478 WeakPolarHBondContact OD2-CB 3.38Å; D473-H478 IonicContact OD2-CG 2.67Å; D473-H478 PolarHBondContact OD2-N 3.42Å; Y476-H478 VanDerWaalsContact C-N 3.33Å; H478-W480 PolarHBondContact O-NE1 3.38Å; H478-C499 HydrophobicContact CB-CB 3.88Å; H478-I503 WeakPolarHBondContact CE1-CG2 3.5Å; H478-I503 WeakPolarHBondContact ND1-CG2 3.41Å; H478-N504 PolarHBondContact CE1-ND2 3.12Å; H478-N504 VanDerWaalsContact CE1-ND2 3.35Å; H478-N504 PolarHBondContact ND1-ND2 2.83Å; H478-C527 PolarHBondContact CE1-SG 3.37Å; H478-C527 PolarHBondContact NE2-SG 3.02Å
479C92.1Very high79Confident0 Ų037.6 Ų37.60%024%0.238CC..EExtended strand (participates in β ladder)trans-83.9140.1178.3-171.70000110.7G413 C414 T417 V470 F471 F481 C499 G500G413-C479 VanDerWaalsContact C-CB 3.48Å; G413-C479 WeakPolarHBondContact O-CB 3.32Å; C414-C479 PolarHBondContact SG-N 3.46Å; C414-C479 VanDerWaalsContact SG-N 3.37Å; T417-C479 HydrophobicContact CG2-CB 4.02Å; T417-C479 PolarHBondContact OG1-N 3.29Å; V470-C479 WeakPolarHBondContact CG1-SG 3.09Å; F471-C479 CarbonylContact O-C 3.57Å; F471-C479 WeakPolarHBondContact O-CA 3.38Å; C479-F481 VanDerWaalsContact SG-CZ 3.57Å; C479-C499 CarbonylContact O-C 3.57Å; C479-C499 WeakPolarHBondContact O-CA 3.19Å; C479-C499 WeakPolarHBondContact O-CB 3.25Å; C479-G500 PolarHBondContact O-N 3.42Å
480W91.4Very high77.7Confident0 Ų040.8 Ų40.80%027%0.265CS..EExtended strand (participates in β ladder)trans-136.7141.7178.4-57.377.3000110.8V470 F471 D473 H478 V496 C499 N504 L510 W512V470-W480 WeakPolarHBondContact CA-O 3.29Å; F471-W480 HydrophobicContact CB-CB 4.4Å; F471-W480 PolarHBondContact N-O 3.37Å; F471-W480 PolarHBondContact O-N 3.43Å; D473-W480 PolarHBondContact OD2-NE1 2.99Å; H478-W480 PolarHBondContact O-NE1 3.38Å; W480-V496 HydrophobicContact CE3-CB 4.31Å; W480-V496 HydrophobicContact CE3-CG1 3.76Å; W480-V496 HydrophobicContact CZ3-CG1 4.38Å; W480-C499 HydrophobicContact CD2-CB 3.63Å; W480-C499 VanDerWaalsContact CE2-CB 3.42Å; W480-C499 VanDerWaalsContact CE3-CA 3.48Å; W480-C499 HydrophobicContact CE3-CB 4Å; W480-C499 VanDerWaalsContact CE3-N 3.26Å; W480-C499 HydrophobicContact CG-CB 4.21Å; W480-C499 HydrophobicContact CH2-CB 4.04Å; W480-C499 HydrophobicContact CZ2-CB 3.63Å; W480-C499 HydrophobicContact CZ3-CB 4.22Å; W480-N504 HydrophobicContact CH2-CB 4.12Å; W480-N504 WeakPolarHBondContact CH2-O 3.24Å; W480-N504 HydrophobicContact CZ2-CB 3.9Å; W480-L510 HydrophobicContact CH2-CD1 4.16Å; W480-L510 HydrophobicContact CZ2-CD1 3.59Å; W480-W512 HydrophobicContact CB-CE3 4.05Å; W480-W512 HydrophobicContact CB-CH2 4.3Å; W480-W512 HydrophobicContact CB-CZ3 3.38Å; W480-W512 AromaticContact CD1-CZ3 3.75Å; W480-W512 HydrophobicContact CD2-CE3 4.23Å; W480-W512 AromaticContact CD2-CH2 3.24Å; W480-W512 HydrophobicContact CD2-CH2 3.24Å; W480-W512 HydrophobicContact CD2-CZ2 4.27Å; W480-W512 AromaticContact CD2-CZ3 3.22Å; W480-W512 HydrophobicContact CD2-CZ3 3.22Å; W480-W512 AromaticContact CE2-CH2 3.67Å; W480-W512 AromaticContact CE2-CZ3 3.86Å; W480-W512 AromaticContact CE3-CH2 3.15Å; W480-W512 HydrophobicContact CE3-CH2 3.15Å; W480-W512 HydrophobicContact CE3-CZ2 4.25Å; W480-W512 AromaticContact CE3-CZ3 3.51Å; W480-W512 HydrophobicContact CE3-CZ3 3.51Å; W480-W512 AromaticContact CG-CE3 3.89Å; W480-W512 HydrophobicContact CG-CE3 3.89Å; W480-W512 AromaticContact CG-CH2 3.78Å; W480-W512 HydrophobicContact CG-CH2 3.78Å; W480-W512 AromaticContact CG-CZ3 3.18Å; W480-W512 HydrophobicContact CG-CZ3 3.18Å; W480-W512 AromaticContact CH2-CH2 3.91Å; W480-W512 HydrophobicContact CH2-CH2 3.91Å; W480-W512 HydrophobicContact CH2-CZ2 4.3Å; W480-W512 HydrophobicContact CZ2-CH2 4.01Å; W480-W512 HydrophobicContact CZ2-CZ2 4.34Å; W480-W512 AromaticContact CZ3-CH2 3.48Å; W480-W512 HydrophobicContact CZ3-CH2 3.48Å; W480-W512 VanDerWaalsContact CZ3-CH2 3.48Å; W480-W512 HydrophobicContact CZ3-CZ2 4.24Å; W480-W512 HydrophobicContact CZ3-CZ3 4.3Å
481F87.5Confident76.6Confident58 Ų5844.4 Ų44.425%0.25428%0.284SS..EExtended strand (participates in β ladder)trans-114.1121.8-176.8-58.3-81.4000109.6L463 N464 V470 C479 V496L463-F481 HydrophobicContact CB-CE1 3.75Å; L463-F481 HydrophobicContact CB-CZ 3.65Å; L463-F481 HydrophobicContact CD1-CZ 3.77Å; L463-F481 HydrophobicContact CG-CZ 4.35Å; N464-F481 HydrophobicContact CB-CD1 4.05Å; N464-F481 HydrophobicContact CB-CE1 4.25Å; V470-F481 HydrophobicContact CG1-CD1 4.15Å; V470-F481 HydrophobicContact CG1-CE1 3.96Å; V470-F481 HydrophobicContact CG2-CD1 3.93Å; V470-F481 HydrophobicContact CG2-CE1 4.1Å; C479-F481 VanDerWaalsContact SG-CZ 3.57Å; F481-V496 WeakPolarHBondContact O-CG2 3.32Å
482V82.8Confident75.6Confident2 Ų246.7 Ų46.71%0.01229%0.293CS..EExtended strand (participates in β ladder)trans-102.9128.7173.3-179.10000108.8G468 D469 F471 W492 L495 V496G468-V482 CarbonylContact C-O 3.59Å; G468-V482 WeakPolarHBondContact CA-O 3.3Å; D469-V482 PolarHBondContact N-O 3.21Å; D469-V482 PolarHBondContact O-N 3.05Å; F471-V482 HydrophobicContact CD2-CB 4.41Å; F471-V482 HydrophobicContact CD2-CG2 3.6Å; F471-V482 HydrophobicContact CE2-CB 3.9Å; F471-V482 HydrophobicContact CE2-CG2 3.31Å; F471-V482 HydrophobicContact CZ-CG2 4.29Å; V482-W492 HydrophobicContact CG1-CE3 3.86Å; V482-W492 HydrophobicContact CG1-CZ3 3.91Å; V482-W492 HydrophobicContact CG2-CE3 4.16Å; V482-L495 HydrophobicContact CG1-CB 4.35Å; V482-L495 HydrophobicContact CG1-CD1 4.08Å; V482-V496 HydrophobicContact CB-CG2 4.3Å; V482-V496 HydrophobicContact CG2-CG2 3.52Å
483P77.4Confident74.5Confident76 Ų7648.2 Ų48.249%0.49430%0.303SS..PPolyproline II helixtrans-57.7149.3175.1-23.733.7000112.9F486P483-F486 HydrophobicContact CB-CD2 4.47Å; P483-F486 HydrophobicContact CB-CE2 4.49Å
484S71.9Confident73.6Confident66 Ų6653.8 Ų53.846%0.46233%0.333SS..THydrogen-bonded Turntrans-64.9154.2175.6480000112.4D466D466-S484 WeakPolarHBondContact O-CB 3.23Å; D466-S484 PolarHBondContact O-OG 3.39Å
485G64.4Low73.1Confident75 Ų7554.7 Ų54.777%0.77334%0.338SS*.THydrogen-bonded Turntrans96.8-1.718000000115.7
486F61.5Low72.7Confident90 Ų9053.8 Ų53.840%0.39533%0.332SS..  trans-115.119.5-179.7-61-80.8000114.1P483 S488 V489 W492 L495P483-F486 HydrophobicContact CB-CD2 4.47Å; P483-F486 HydrophobicContact CB-CE2 4.49Å; F486-S488 PolarHBondContact O-N 3.39Å; F486-V489 HydrophobicContact CB-CG2 4.25Å; F486-V489 HydrophobicContact CD1-CG2 4.37Å; F486-V489 PolarHBondContact O-N 3.09Å; F486-V489 VanDerWaalsContact O-N 3.16Å; F486-W492 WeakPolarHBondContact O-CH2 3.31Å; F486-W492 VanDerWaalsContact O-CZ3 3.29Å; F486-W492 WeakPolarHBondContact O-CZ3 3.26Å; F486-L495 HydrophobicContact CB-CD1 3.52Å; F486-L495 HydrophobicContact CD1-CD1 4.27Å; F486-L495 HydrophobicContact CD1-CD2 3.82Å; F486-L495 HydrophobicContact CD2-CD2 4.45Å; F486-L495 HydrophobicContact CE1-CD2 4.09Å; F486-L495 HydrophobicContact CG-CD1 3.9Å; F486-L495 HydrophobicContact CG-CD2 4.01Å
487S53.4Low72.3Confident92 Ų9256.5 Ų56.564%0.64336%0.355SS*.THydrogen-bonded Turntrans-59.2-5.5-169.854.30000116.4
488S54.8Low72.3Confident113 Ų11359.3 Ų59.379%0.7937%0.367SS*.THydrogen-bonded Turntrans-1206.1-17656.20000114.8F486F486-S488 PolarHBondContact O-N 3.39Å
489V55.5Low72.2Confident56 Ų5659.6 Ų59.634%0.33937%0.369SS..  trans-87.6123-175.9-171.80000110.6F486 N491 W492 L495F486-V489 HydrophobicContact CB-CG2 4.25Å; F486-V489 HydrophobicContact CD1-CG2 4.37Å; F486-V489 PolarHBondContact O-N 3.09Å; F486-V489 VanDerWaalsContact O-N 3.16Å; V489-N491 PolarHBondContact O-N 3.44Å; V489-N491 VanDerWaalsContact O-N 3.13Å; V489-W492 PolarHBondContact O-NE1 3Å; V489-L495 HydrophobicContact CB-CD1 4.43Å
490S56.9Low72Confident120 Ų12060.5 Ų60.584%0.83938%0.379SS*.SBendtrans-70.1-2.8-179.9470000115.1
491N63.8Low71.9Confident88 Ų8860.5 Ų60.547%0.47138%0.379SS..  trans-132.963.9-171.9-133.8-0.2000111.9V489 S493 N494V489-N491 PolarHBondContact O-N 3.44Å; V489-N491 VanDerWaalsContact O-N 3.13Å; N491-S493 PolarHBondContact O-N 3.49Å; N491-S493 PolarHBondContact OD1-OG 3.32Å; N491-N494 PolarHBondContact O-N 3.09Å
492W68.1Low72Confident51 Ų5158.5 Ų58.519%0.19337%0.374CS..G310 helixtrans-57.5-27.6-177.5-55.2101.3000114.6F471 V482 F486 V489 N494 L495F471-W492 HydrophobicContact CE1-CD2 4.41Å; F471-W492 HydrophobicContact CE1-CG 4.49Å; F471-W492 HydrophobicContact CE2-CE3 4.37Å; F471-W492 AromaticContact CZ-CD2 3.89Å; F471-W492 HydrophobicContact CZ-CD2 3.89Å; F471-W492 AromaticContact CZ-CE3 3.97Å; F471-W492 HydrophobicContact CZ-CE3 3.97Å; F471-W492 HydrophobicContact CZ-CG 4.36Å; F471-W492 HydrophobicContact CZ-CH2 4.25Å; F471-W492 HydrophobicContact CZ-CZ2 4.26Å; F471-W492 HydrophobicContact CZ-CZ3 4.14Å; V482-W492 HydrophobicContact CG1-CE3 3.86Å; V482-W492 HydrophobicContact CG1-CZ3 3.91Å; V482-W492 HydrophobicContact CG2-CE3 4.16Å; F486-W492 WeakPolarHBondContact O-CH2 3.31Å; F486-W492 VanDerWaalsContact O-CZ3 3.29Å; F486-W492 WeakPolarHBondContact O-CZ3 3.26Å; V489-W492 PolarHBondContact O-NE1 3Å; W492-N494 PolarHBondContact O-N 2.84Å; W492-N494 VanDerWaalsContact O-N 3.15Å; W492-L495 HydrophobicContact CE3-CD1 4.01Å; W492-L495 PolarHBondContact O-N 3.37Å
493S65.9Low72.1Confident32 Ų3260 Ų6022%0.22438%0.382CS..G310 helixtrans-56.4-28.4177520000113N491 L495 N506N491-S493 PolarHBondContact O-N 3.49Å; N491-S493 PolarHBondContact OD1-OG 3.32Å; S493-L495 VanDerWaalsContact C-N 3.33Å; S493-L495 PolarHBondContact O-N 3.46Å; S493-N506 VanDerWaalsContact O-CB 3.23Å; S493-N506 WeakPolarHBondContact O-CB 3.31Å; S493-N506 PolarHBondContact O-ND2 3.5Å
494N69.3Low72.4Confident118 Ų11856.4 Ų56.463%0.63136%0.359SS*.G310 helixtrans-78.2-15.9178.3-67.1-29.9000113.8N491 W492N491-N494 PolarHBondContact O-N 3.09Å; W492-N494 PolarHBondContact O-N 2.84Å; W492-N494 VanDerWaalsContact O-N 3.15Å
495L71.3Confident72.9Confident53 Ų5356 Ų5628%0.27735%0.351SS..THydrogen-bonded Turntrans-94.8-19-172.9-64.1172000113.4V482 F486 V489 W492 S493V482-L495 HydrophobicContact CG1-CB 4.35Å; V482-L495 HydrophobicContact CG1-CD1 4.08Å; F486-L495 HydrophobicContact CB-CD1 3.52Å; F486-L495 HydrophobicContact CD1-CD1 4.27Å; F486-L495 HydrophobicContact CD1-CD2 3.82Å; F486-L495 HydrophobicContact CD2-CD2 4.45Å; F486-L495 HydrophobicContact CE1-CD2 4.09Å; F486-L495 HydrophobicContact CG-CD1 3.9Å; F486-L495 HydrophobicContact CG-CD2 4.01Å; V489-L495 HydrophobicContact CB-CD1 4.43Å; W492-L495 HydrophobicContact CE3-CD1 4.01Å; W492-L495 PolarHBondContact O-N 3.37Å; S493-L495 VanDerWaalsContact C-N 3.33Å; S493-L495 PolarHBondContact O-N 3.46Å
496V75.3Confident73.2Confident13 Ų1354.7 Ų54.78%0.07933%0.327CS..  trans-124.6128.6-177.4-166.10000108.7W480 F481 V482 K498 N506W480-V496 HydrophobicContact CE3-CB 4.31Å; W480-V496 HydrophobicContact CE3-CG1 3.76Å; W480-V496 HydrophobicContact CZ3-CG1 4.38Å; F481-V496 WeakPolarHBondContact O-CG2 3.32Å; V482-V496 HydrophobicContact CB-CG2 4.3Å; V482-V496 HydrophobicContact CG2-CG2 3.52Å; V496-K498 VanDerWaalsContact CG1-O 3.29Å; V496-K498 WeakPolarHBondContact CG1-O 3.33Å; V496-N506 WeakPolarHBondContact O-CB 3.32Å; V496-N506 VanDerWaalsContact O-CG 3.29Å; V496-N506 PolarHBondContact O-ND2 2.94Å
497S76.7Confident73.3Confident83 Ų8355.4 Ų55.458%0.5834%0.338SS*.SBendtrans-85.3-31.3179.756.70000113.1N505 N506S497-N505 VanDerWaalsContact O-CA 3.27Å; S497-N505 WeakPolarHBondContact O-CA 3.28Å; S497-N505 WeakPolarHBondContact O-CB 3.39Å; S497-N506 PolarHBondContact O-N 3.44Å
498K86.4Confident73.7Confident59 Ų5954 Ų5426%0.25732%0.322SS..BIsolated β-bridgetrans-150.9154.5-171.9-63.5-174.3179.4-178.40113.4V496 N504 D537V496-K498 VanDerWaalsContact CG1-O 3.29Å; V496-K498 WeakPolarHBondContact CG1-O 3.33Å; K498-N504 VanDerWaalsContact CA-O 3.24Å; K498-N504 WeakPolarHBondContact CA-O 3.45Å; K498-D537 IonicContact NZ-OD1 3.56Å; K498-D537 PolarHBondContact NZ-OD1 2.8Å; K498-D537 IonicContact NZ-OD2 2.6Å; K498-D537 PolarHBondContact NZ-OD2 2.91Å
499C89.4Confident74.3Confident6 Ų656.9 Ų56.94%0.04133%0.328CS..  trans-69.6165.9171.665.80000111.5H478 C479 W480 C501 G502 N504H478-C499 HydrophobicContact CB-CB 3.88Å; C479-C499 CarbonylContact O-C 3.57Å; C479-C499 WeakPolarHBondContact O-CA 3.19Å; C479-C499 WeakPolarHBondContact O-CB 3.25Å; W480-C499 HydrophobicContact CD2-CB 3.63Å; W480-C499 VanDerWaalsContact CE2-CB 3.42Å; W480-C499 VanDerWaalsContact CE3-CA 3.48Å; W480-C499 HydrophobicContact CE3-CB 4Å; W480-C499 VanDerWaalsContact CE3-N 3.26Å; W480-C499 HydrophobicContact CG-CB 4.21Å; W480-C499 HydrophobicContact CH2-CB 4.04Å; W480-C499 HydrophobicContact CZ2-CB 3.63Å; W480-C499 HydrophobicContact CZ3-CB 4.22Å; C499-C501 PolarHBondContact O-N 3.32Å; C499-C501 PolarHBondContact SG-SG 2.84Å; C499-G502 WeakPolarHBondContact O-CA 3.27Å; C499-G502 PolarHBondContact O-N 3.12Å; C499-N504 PolarHBondContact N-O 3.36Å; C499-N504 PolarHBondContact SG-N 3.46Å
500G88.3Confident75.2Confident20 Ų2055 Ų5521%0.20632%0.316CS..THydrogen-bonded Turntrans-57.9-31.7-176.500000114.5C479 T540C479-G500 PolarHBondContact O-N 3.42Å; G500-T540 PolarHBondContact O-OG1 3.41Å
501C90.1Very high76.2Confident0 Ų055.2 Ų55.20%031%0.308CS..THydrogen-bonded Turntrans-82.5-12.6173.168.30000114.4L410 G411 C414 C499 I503 L539 T540L410-C501 HydrophobicContact CB-CB 3.97Å; L410-C501 HydrophobicContact CD2-CB 4.41Å; G411-C501 WeakPolarHBondContact O-CB 3.41Å; C414-C501 HydrophobicContact CB-CB 4.17Å; C414-C501 PolarHBondContact SG-N 3.36Å; C414-C501 PolarHBondContact SG-SG 3Å; C499-C501 PolarHBondContact O-N 3.32Å; C499-C501 PolarHBondContact SG-SG 2.84Å; C501-I503 WeakPolarHBondContact SG-CG2 3.17Å; C501-L539 WeakPolarHBondContact O-CA 3.43Å; C501-L539 WeakPolarHBondContact O-CD1 3.44Å; C501-T540 PolarHBondContact O-N 3.49Å
502G88.6Confident77Confident15 Ų1553.6 Ų53.616%0.15530%0.295CS..SBendtrans85.9-3.4178.400000116.2C499C499-G502 WeakPolarHBondContact O-CA 3.27Å; C499-G502 PolarHBondContact O-N 3.12Å
503I86.1Confident77.7Confident34 Ų3452 Ų5217%0.17429%0.289CS..SBendtrans-77.5-41-173.8-159.3172.6000113.9L410 H478 C501 C527 L539L410-I503 HydrophobicContact CD1-CD1 4.46Å; L410-I503 HydrophobicContact CD1-CG2 4.38Å; L410-I503 HydrophobicContact CD2-CD1 4.36Å; H478-I503 WeakPolarHBondContact CE1-CG2 3.5Å; H478-I503 WeakPolarHBondContact ND1-CG2 3.41Å; C501-I503 WeakPolarHBondContact SG-CG2 3.17Å; I503-C527 HydrophobicContact CD1-CB 4.46Å; I503-L539 HydrophobicContact CB-CD1 4.02Å; I503-L539 HydrophobicContact CG1-CD1 4.43Å
504N82.7Confident78.4Confident1 Ų153.5 Ų53.51%0.00529%0.294CS..  trans-103143.5-177.8-68.3-22.7000110.1Y476 H478 W480 K498 C499Y476-N504 WeakPolarHBondContact CD2-ND2 3.2Å; H478-N504 PolarHBondContact CE1-ND2 3.12Å; H478-N504 VanDerWaalsContact CE1-ND2 3.35Å; H478-N504 PolarHBondContact ND1-ND2 2.83Å; W480-N504 HydrophobicContact CH2-CB 4.12Å; W480-N504 WeakPolarHBondContact CH2-O 3.24Å; W480-N504 HydrophobicContact CZ2-CB 3.9Å; K498-N504 VanDerWaalsContact CA-O 3.24Å; K498-N504 WeakPolarHBondContact CA-O 3.45Å; C499-N504 PolarHBondContact N-O 3.36Å; C499-N504 PolarHBondContact SG-N 3.46Å
505N81.9Confident78.8Confident56 Ų5648.5 Ų48.530%0.29927%0.267SS..BIsolated β-bridgetrans-111.1167.5175.567.311.8000111S497 T507S497-N505 VanDerWaalsContact O-CA 3.27Å; S497-N505 WeakPolarHBondContact O-CA 3.28Å; S497-N505 WeakPolarHBondContact O-CB 3.39Å; N505-T507 PolarHBondContact ND2-OG1 3.02Å; N505-T507 PolarHBondContact O-N 3.49Å; N505-T507 PolarHBondContact OD1-N 3.23Å; N505-T507 PolarHBondContact OD1-OG1 3.33Å
506N71.1Confident78.3Confident49 Ų4954 Ų5426%0.26229%0.291SS..THydrogen-bonded Turntrans-74-0.4179.264.6-10.5000115.4S493 V496 S497 Q508S493-N506 VanDerWaalsContact O-CB 3.23Å; S493-N506 WeakPolarHBondContact O-CB 3.31Å; S493-N506 PolarHBondContact O-ND2 3.5Å; V496-N506 WeakPolarHBondContact O-CB 3.32Å; V496-N506 VanDerWaalsContact O-CG 3.29Å; V496-N506 PolarHBondContact O-ND2 2.94Å; S497-N506 PolarHBondContact O-N 3.44Å; N506-Q508 VanDerWaalsContact C-N 3.27Å
507T63Low76.9Confident104 Ų10455.7 Ų55.764%0.63830%0.304SS*.THydrogen-bonded Turntrans-80-12.6-179.567.30000113.1N505N505-T507 PolarHBondContact ND2-OG1 3.02Å; N505-T507 PolarHBondContact O-N 3.49Å; N505-T507 PolarHBondContact OD1-N 3.23Å; N505-T507 PolarHBondContact OD1-OG1 3.33Å
508Q63.5Low75.1Confident63 Ų6357.3 Ų57.329%0.29430%0.302SS..SBendtrans-82.7125.4170.6-59.3177.813.300106.8Y476 N506 L510Y476-Q508 VanDerWaalsContact CE2-OE1 3.27Å; Y476-Q508 PolarHBondContact OH-OE1 3.49Å; N506-Q508 VanDerWaalsContact C-N 3.27Å; Q508-L510 HydrophobicContact CB-CD1 4.34Å; Q508-L510 HydrophobicContact CB-CD2 4.11Å; Q508-L510 HydrophobicContact CB-CG 3.91Å; Q508-L510 WeakPolarHBondContact O-CG 3.41Å; Q508-L510 PolarHBondContact O-N 3.42Å
509N65.9Low72.9Confident173 Ų17363 Ų6393%0.92533%0.327SS*.  trans-65.280.6174.1-85.9-12.4000109.5
510L74.5Confident70.6Confident17 Ų1766.6 Ų66.69%0.08935%0.353CS..  trans-91.1142.8-180-62174.5000109.4D473 V475 Y476 W480 Q508 W512D473-L510 HydrophobicContact CB-CB 4.3Å; D473-L510 HydrophobicContact CB-CD1 4.12Å; V475-L510 HydrophobicContact CB-CD2 3.84Å; V475-L510 HydrophobicContact CG1-CD2 4.49Å; V475-L510 HydrophobicContact CG2-CD2 3.62Å; Y476-L510 HydrophobicContact CD2-CD2 4.19Å; Y476-L510 HydrophobicContact CE2-CD2 3.91Å; W480-L510 HydrophobicContact CH2-CD1 4.16Å; W480-L510 HydrophobicContact CZ2-CD1 3.59Å; Q508-L510 HydrophobicContact CB-CD1 4.34Å; Q508-L510 HydrophobicContact CB-CD2 4.11Å; Q508-L510 HydrophobicContact CB-CG 3.91Å; Q508-L510 WeakPolarHBondContact O-CG 3.41Å; Q508-L510 PolarHBondContact O-N 3.42Å; L510-W512 HydrophobicContact CB-CZ2 4.45Å; L510-W512 PolarHBondContact O-NE1 2.97Å
511D78.9Confident68.4Low124 Ų12468 Ų6866%0.66336%0.359SS*.  trans-87.9142.2164-72.1-32.7000109.3D473 M474D473-D511 CarbonylContact C-O 3.47Å; D473-D511 WeakPolarHBondContact CA-O 3.32Å; M474-D511 HydrophobicContact CB-CB 4.11Å; M474-D511 HydrophobicContact CG-CB 4.23Å; M474-D511 PolarHBondContact N-O 3.5Å
512W80.3Confident66.5Low55 Ų5568.3 Ų68.321%0.20836%0.361CS..EExtended strand (participates in β ladder)trans-125.5140.5-169.5-55.465.1000110.3F471 W480 L510F471-W512 HydrophobicContact CB-CE3 3.93Å; F471-W512 HydrophobicContact CD1-CB 4.22Å; F471-W512 HydrophobicContact CG-CE3 4.43Å; W480-W512 HydrophobicContact CB-CE3 4.05Å; W480-W512 HydrophobicContact CB-CH2 4.3Å; W480-W512 HydrophobicContact CB-CZ3 3.38Å; W480-W512 AromaticContact CD1-CZ3 3.75Å; W480-W512 HydrophobicContact CD2-CE3 4.23Å; W480-W512 AromaticContact CD2-CH2 3.24Å; W480-W512 HydrophobicContact CD2-CH2 3.24Å; W480-W512 HydrophobicContact CD2-CZ2 4.27Å; W480-W512 AromaticContact CD2-CZ3 3.22Å; W480-W512 HydrophobicContact CD2-CZ3 3.22Å; W480-W512 AromaticContact CE2-CH2 3.67Å; W480-W512 AromaticContact CE2-CZ3 3.86Å; W480-W512 AromaticContact CE3-CH2 3.15Å; W480-W512 HydrophobicContact CE3-CH2 3.15Å; W480-W512 HydrophobicContact CE3-CZ2 4.25Å; W480-W512 AromaticContact CE3-CZ3 3.51Å; W480-W512 HydrophobicContact CE3-CZ3 3.51Å; W480-W512 AromaticContact CG-CE3 3.89Å; W480-W512 HydrophobicContact CG-CE3 3.89Å; W480-W512 AromaticContact CG-CH2 3.78Å; W480-W512 HydrophobicContact CG-CH2 3.78Å; W480-W512 AromaticContact CG-CZ3 3.18Å; W480-W512 HydrophobicContact CG-CZ3 3.18Å; W480-W512 AromaticContact CH2-CH2 3.91Å; W480-W512 HydrophobicContact CH2-CH2 3.91Å; W480-W512 HydrophobicContact CH2-CZ2 4.3Å; W480-W512 HydrophobicContact CZ2-CH2 4.01Å; W480-W512 HydrophobicContact CZ2-CZ2 4.34Å; W480-W512 AromaticContact CZ3-CH2 3.48Å; W480-W512 HydrophobicContact CZ3-CH2 3.48Å; W480-W512 VanDerWaalsContact CZ3-CH2 3.48Å; W480-W512 HydrophobicContact CZ3-CZ2 4.24Å; W480-W512 HydrophobicContact CZ3-CZ3 4.3Å; L510-W512 HydrophobicContact CB-CZ2 4.45Å; L510-W512 PolarHBondContact O-NE1 2.97Å
513R81.9Confident64.8Low17 Ų1772.8 Ų72.86%0.06439%0.386CS..EExtended strand (participates in β ladder)trans-120129.6174.5-166.3-172.975.4-173.52.3110.4E457 F471 A472 M474 L515 F519E457-R513 IonicContact OE1-CZ 2.83Å; E457-R513 IonicContact OE1-NH2 2.95Å; E457-R513 PolarHBondContact OE1-NH2 3.3Å; E457-R513 IonicContact OE2-NH2 2.84Å; F471-R513 CarbonylContact C-O 3.56Å; F471-R513 VanDerWaalsContact CA-O 3.3Å; F471-R513 WeakPolarHBondContact CA-O 3.41Å; A472-R513 PolarHBondContact N-O 3.36Å; A472-R513 PolarHBondContact O-N 3.35Å; M474-R513 HydrophobicContact CG-CB 4.43Å; M474-R513 HydrophobicContact SD-CB 3.78Å; R513-L515 PolarHBondContact O-N 2.96Å; R513-F519 WeakPolarHBondContact CD-O 3.33Å
514I81.8Confident63.4Low63 Ų6372.9 Ų72.932%0.32339%0.386SS..EExtended strand (participates in β ladder)trans-67.7127.1170.5-62.5164.7000107.9F471 Q516 S517F471-I514 HydrophobicContact CD1-CB 4.43Å; F471-I514 HydrophobicContact CD1-CG1 3.64Å; F471-I514 HydrophobicContact CE1-CB 4.35Å; F471-I514 HydrophobicContact CE1-CD1 4.03Å; F471-I514 HydrophobicContact CE1-CG1 3.18Å; F471-I514 HydrophobicContact CZ-CD1 4.47Å; F471-I514 HydrophobicContact CZ-CG1 3.85Å; I514-Q516 HydrophobicContact CG2-CB 4.27Å; I514-Q516 PolarHBondContact O-N 2.98Å; I514-Q516 VanDerWaalsContact O-N 3.09Å; I514-S517 PolarHBondContact O-N 3.36Å; I514-S517 PolarHBondContact O-OG 2.87Å
515L76.9Confident62.3Low14 Ų1478.3 Ų78.37%0.07341%0.411CS..THydrogen-bonded Turntrans-64-16.4-176.2-70.2-176.5000113.9T417 E457 A460 V470 A472 R513T417-L515 HydrophobicContact CG2-CD1 3.72Å; T417-L515 HydrophobicContact CG2-CD2 4.04Å; E457-L515 HydrophobicContact CB-CD1 4.46Å; E457-L515 HydrophobicContact CB-CD2 4.38Å; E457-L515 HydrophobicContact CG-CD2 3.88Å; A460-L515 HydrophobicContact CB-CD1 4.45Å; V470-L515 HydrophobicContact CB-CD1 4.21Å; V470-L515 HydrophobicContact CG1-CD1 3.62Å; V470-L515 HydrophobicContact CG1-CG 4.49Å; V470-L515 PolarHBondContact O-N 3.45Å; V470-L515 VanDerWaalsContact O-N 3.1Å; A472-L515 HydrophobicContact CB-CD2 3.66Å; R513-L515 PolarHBondContact O-N 2.96Å
516Q61.6Low61.1Low167 Ų16779.7 Ų79.778%0.7843%0.425SS*.THydrogen-bonded Turntrans-93.3-2.8175.3-59.8-172.78.900114.3I514I514-Q516 HydrophobicContact CG2-CB 4.27Å; I514-Q516 PolarHBondContact O-N 2.98Å; I514-Q516 VanDerWaalsContact O-N 3.09Å
517S45.6Very low60.5Low50 Ų5077.8 Ų77.835%0.3542%0.416SS..SBendtrans-98.9137.4-179.167.30000112.3I514I514-S517 PolarHBondContact O-N 3.36Å; I514-S517 PolarHBondContact O-OG 2.87Å
518H39.1Very low60.1Low116 Ų11675.4 Ų75.454%0.53740%0.402SS..  trans-70.7139.8167.5-61.7-49.3000109R454R454-H518 PolarHBondContact NH2-CE1 3.11Å; R454-H518 PolarHBondContact NH2-ND1 3.44Å
519F40.3Very low59.2Low178 Ų17881.9 Ų81.978%0.78143%0.429SS*.  trans135.5141.2153.5-69.9-65.6000115.8R513R513-F519 WeakPolarHBondContact CD-O 3.33Å
520S41.3Very low58.1Low83 Ų8381.7 Ų81.758%0.5842%0.423SS*.  trans66.9138167.968.70000119.3M474M474-S520 WeakPolarHBondContact CE-OG 3.35Å
521S42.2Very low56.7Low48 Ų4883.9 Ų83.934%0.33644%0.438SS..  trans-97.5120.5176.6178.50000109.6H425H425-S521 WeakPolarHBondContact CA-OG 3.16Å
522P48.9Very low54.8Low8 Ų884 Ų845%0.05245%0.448CS..  trans-76.9161171.924.5-25.4000113.2H425 M474H425-P522 PolarHBondContact CD2-O 3.4Å; M474-P522 HydrophobicContact CB-CB 4.02Å; M474-P522 HydrophobicContact CE-CB 3.86Å; M474-P522 HydrophobicContact CE-CG 3.92Å; M474-P522 WeakPolarHBondContact O-CB 3.43Å; M474-P522 HydrophobicContact SD-CB 4.16Å; M474-P522 HydrophobicContact SD-CG 3.91Å
523V53.3Low53Low109 Ų10984.3 Ų84.366%0.66146%0.457SS*.  trans-91.6114.2163.4177.10000107.6
524L56.5Low50.9Low35 Ų3592 Ų9218%0.18349%0.491CS..PPolyproline II helixtrans-72.6129.6-178.2-116.276.4000111.5H418 S421H418-L524 WeakPolarHBondContact CE1-CD2 3.18Å; H418-L524 WeakPolarHBondContact ND1-CD2 3.48Å; H418-L524 WeakPolarHBondContact NE2-CD2 3.4Å; S421-L524 VanDerWaalsContact CB-CD1 3.46Å
525Q60.6Low48.7Very low115 Ų11593.6 Ų93.654%0.53751%0.513SS..PPolyproline II helixtrans-99.3153.1167.9-65.3-173.45.100111.2V475 Y476V475-Q525 HydrophobicContact CG1-CB 4.16Å; V475-Q525 HydrophobicContact CG1-CG 4.17Å; V475-Q525 PolarHBondContact O-N 3Å; Y476-Q525 HydrophobicContact CD1-CB 4.46Å; Y476-Q525 HydrophobicContact CE1-CB 4.32Å
526S56.8Low47Very low85 Ų8597.6 Ų97.659%0.59454%0.538SS*.PPolyproline II helixtrans-66.9133.9171.1570000109.8
527C57.8Low46.7Very low10 Ų1093.5 Ų93.57%0.06852%0.521CS..PPolyproline II helixtrans-57153.3170.8-64.70000111G137 H478 I503 K529G137-C527 VanDerWaalsContact O-CB 3.26Å; G137-C527 WeakPolarHBondContact O-CB 3.48Å; G137-C527 PolarHBondContact O-SG 3.17Å; H478-C527 PolarHBondContact CE1-SG 3.37Å; H478-C527 PolarHBondContact NE2-SG 3.02Å; I503-C527 HydrophobicContact CD1-CB 4.46Å; C527-K529 PolarHBondContact O-N 3.5Å; C527-K529 VanDerWaalsContact O-N 3.14Å
528P54.4Low48Very low53 Ų5394.9 Ų94.934%0.34452%0.521SS..PPolyproline II helixtrans-53122.8174.9-21.931.2000110.3E530P528-E530 PolarHBondContact O-N 2.83Å
529K44.6Very low50.4Low200 Ų20090.7 Ų90.787%0.8750%0.503SS*.SBendtrans-63.7-23.2-176.6-70.4-173176.6-174.80113.3C527C527-K529 PolarHBondContact O-N 3.5Å; C527-K529 VanDerWaalsContact O-N 3.14Å
530E43.1Very low53Low169 Ų16984.3 Ų84.379%0.7948%0.479SS*.SBendtrans-122113.7173.2-72.6179.3176.800108.1P528 S532P528-E530 PolarHBondContact O-N 2.83Å; E530-S532 PolarHBondContact O-N 3.23Å
531P45.1Very low55.6Low63 Ų6380.6 Ų80.641%0.40945%0.452SS..  trans-60115.6164.724.1-29.3000106.9V533P531-V533 HydrophobicContact CB-CB 4.13Å; P531-V533 HydrophobicContact CB-CG2 3.57Å; P531-V533 PolarHBondContact O-N 3.2Å
532S39.5Very low58.2Low125 Ų12579.6 Ų79.687%0.87444%0.443SS*.  trans-72.758.5170.269.10000109.2E530E530-S532 PolarHBondContact O-N 3.23Å
533V41.3Very low60.5Low63 Ų6379.4 Ų79.438%0.38244%0.442SS..  trans-102103.1-170.1170.70000107P531 D537P531-V533 HydrophobicContact CB-CB 4.13Å; P531-V533 HydrophobicContact CB-CG2 3.57Å; P531-V533 PolarHBondContact O-N 3.2Å; V533-D537 HydrophobicContact CG1-CB 4.24Å; V533-D537 WeakPolarHBondContact CG1-O 3.26Å
534K37.6Very low62.6Low179 Ų17974.4 Ų74.478%0.77841%0.411SS*.  trans-56.9144.1156.5-67.5-179.8178.6178.60107.3T536 D537K534-T536 PolarHBondContact O-N 3.49Å; K534-D537 PolarHBondContact O-N 3.14Å
535A36.6Very low64.5Low96 Ų9673.4 Ų73.479%0.79341%0.408SS*.THydrogen-bonded Turntrans-5413-172.300000117.9
536T41.4Very low66.3Low98 Ų9867.9 Ų67.960%0.60138%0.382SS*.THydrogen-bonded Turntrans-110.2-9-174.4520000114.1K534K534-T536 PolarHBondContact O-N 3.49Å
537D54.7Low68.3Low80 Ų8064.1 Ų64.143%0.42836%0.355SS..SBendtrans-122.8106.7-170.8-78-35.8000113K498 V533 K534K498-D537 IonicContact NZ-OD1 3.56Å; K498-D537 PolarHBondContact NZ-OD1 2.8Å; K498-D537 IonicContact NZ-OD2 2.6Å; K498-D537 PolarHBondContact NZ-OD2 2.91Å; V533-D537 HydrophobicContact CG1-CB 4.24Å; V533-D537 WeakPolarHBondContact CG1-O 3.26Å; K534-D537 PolarHBondContact O-N 3.14Å
538F72.8Confident70.2Confident80 Ų8064.2 Ų64.235%0.35136%0.356SS..PPolyproline II helixtrans-75.9124.1-165.4-53-81.4000113.2
539L89.9Confident72.2Confident27 Ų2762.5 Ų62.514%0.14135%0.345CS..PPolyproline II helixtrans-83.2128.9172-17472.7000109.9L410 C501 I503 L541L410-L539 HydrophobicContact CD2-CD1 4.08Å; C501-L539 WeakPolarHBondContact O-CA 3.43Å; C501-L539 WeakPolarHBondContact O-CD1 3.44Å; I503-L539 HydrophobicContact CB-CD1 4.02Å; I503-L539 HydrophobicContact CG1-CD1 4.43Å; L539-L541 HydrophobicContact CD2-CD1 4.16Å; L539-L541 HydrophobicContact CD2-CD2 3.69Å; L539-L541 HydrophobicContact CD2-CG 3.99Å; L539-L541 HydrophobicContact CG-CD2 3.92Å; L539-L541 HydrophobicContact CG-CG 4.11Å
540T94Very high74.8Confident45 Ų4553 Ų5328%0.27630%0.304SS..PPolyproline II helixtrans-90.7123.7173.6-49.20000109.6S156 G411 G500 C501S156-T540 WeakPolarHBondContact OG-CA 3.19Å; G411-T540 PolarHBondContact N-O 3.43Å; G500-T540 PolarHBondContact O-OG1 3.41Å; C501-T540 PolarHBondContact O-N 3.49Å
541L95.6Very high77.4Confident4 Ų445 Ų452%0.02127%0.266CS..EExtended strand (participates in β ladder)trans-125.4139.7-178.1-65179.9000111.2V140 T149 C152 L153 S156 A408 L409 L410 L539V140-L541 HydrophobicContact CB-CD2 4.41Å; V140-L541 HydrophobicContact CG2-CD2 3.98Å; T149-L541 HydrophobicContact CG2-CD1 3.75Å; C152-L541 HydrophobicContact CB-CD1 3.83Å; C152-L541 HydrophobicContact CB-CG 4.26Å; L153-L541 HydrophobicContact CD2-CB 3.78Å; L153-L541 HydrophobicContact CG-CB 4.22Å; L153-L541 HydrophobicContact CG-CD1 4.34Å; S156-L541 WeakPolarHBondContact CB-O 3.33Å; S156-L541 PolarHBondContact OG-N 3.47Å; S156-L541 PolarHBondContact OG-O 3.25Å; A408-L541 HydrophobicContact CB-CB 4.41Å; A408-L541 HydrophobicContact CB-CD1 4.24Å; A408-L541 HydrophobicContact CB-CD2 4.49Å; L409-L541 CarbonylContact O-C 3.49Å; L409-L541 VanDerWaalsContact O-CA 3.32Å; L409-L541 WeakPolarHBondContact O-CA 3.4Å; L410-L541 HydrophobicContact CD2-CD2 4.2Å; L539-L541 HydrophobicContact CD2-CD1 4.16Å; L539-L541 HydrophobicContact CD2-CD2 3.69Å; L539-L541 HydrophobicContact CD2-CG 3.99Å; L539-L541 HydrophobicContact CG-CD2 3.92Å; L539-L541 HydrophobicContact CG-CG 4.11Å
542D96.9Very high80Confident28 Ų2846.9 Ų46.915%0.1527%0.269CS..EExtended strand (participates in β ladder)trans-103.6148.3171.5-70.8-9.7000110.3L409 F544 K547L409-D542 PolarHBondContact N-O 2.81Å; L409-D542 PolarHBondContact O-N 3.16Å; D542-F544 PolarHBondContact O-N 2.8Å; D542-K547 HydrophobicContact CB-CD 4.47Å; D542-K547 WeakPolarHBondContact OD2-CE 3.31Å; D542-K547 IonicContact OD2-NZ 2.66Å; D542-K547 PolarHBondContact OD2-NZ 2.88Å
543C97.1Very high82.8Confident3 Ų342.4 Ų42.42%0.0224%0.237CC..EExtended strand (participates in β ladder)trans-65120.2174.1177.30000110.9V398 A545 A546 K547V398-C543 HydrophobicContact CB-CB 4.39Å; V398-C543 HydrophobicContact CG1-CB 3.8Å; V398-C543 HydrophobicContact CG2-CB 3.87Å; C543-A545 PolarHBondContact O-N 2.86Å; C543-A546 HydrophobicContact CB-CB 3.91Å; C543-A546 PolarHBondContact O-N 2.97Å; C543-K547 VanDerWaalsContact O-CB 3.29Å; C543-K547 WeakPolarHBondContact O-CB 3.38Å; C543-K547 PolarHBondContact O-N 3.33Å
544F97.8Very high85.5Confident4 Ų439.4 Ų39.42%0.01822%0.219CC..Hα-helixtrans-58.4-52-177.6176.7-92.5000112.5L131 K132 E405 L407 L409 D542 A546 K547 C548L131-F544 HydrophobicContact CB-CE2 4.2Å; L131-F544 WeakPolarHBondContact O-CE2 3.22Å; K132-F544 HydrophobicContact CG-CZ 3.94Å; E405-F544 HydrophobicContact CB-CD1 4.44Å; E405-F544 VanDerWaalsContact OE2-CD1 3.3Å; E405-F544 WeakPolarHBondContact OE2-CD1 3.46Å; E405-F544 WeakPolarHBondContact OE2-CE1 3.41Å; L407-F544 HydrophobicContact CB-CB 3.77Å; L407-F544 HydrophobicContact CB-CD1 4.01Å; L407-F544 HydrophobicContact CB-CD2 3.93Å; L407-F544 HydrophobicContact CB-CG 3.63Å; L407-F544 HydrophobicContact CD1-CD1 4.1Å; L407-F544 HydrophobicContact CD1-CD2 4.35Å; L407-F544 HydrophobicContact CD1-CE1 3.93Å; L407-F544 HydrophobicContact CD1-CE2 4.2Å; L407-F544 HydrophobicContact CD1-CG 4.33Å; L407-F544 HydrophobicContact CD1-CZ 4Å; L407-F544 WeakPolarHBondContact O-CB 3.45Å; L409-F544 HydrophobicContact CD1-CD2 4.02Å; L409-F544 HydrophobicContact CD2-CD2 3.84Å; L409-F544 HydrophobicContact CD2-CE2 4.29Å; L409-F544 HydrophobicContact CG-CB 4.44Å; L409-F544 HydrophobicContact CG-CD2 3.78Å; D542-F544 PolarHBondContact O-N 2.8Å; F544-A546 PolarHBondContact O-N 2.94Å; F544-K547 PolarHBondContact O-N 3.31Å; F544-C548 VanDerWaalsContact CZ-SG 3.59Å; F544-C548 WeakPolarHBondContact O-CB 3.42Å; F544-C548 PolarHBondContact O-N 3.43Å; F544-C548 PolarHBondContact O-SG 3.2Å
545A97.4Very high88.4Confident14 Ų1430.9 Ų30.912%0.11618%0.182CC..Hα-helixtrans-61.9-44.2-17700000111.8F88 L401 C543 S549F88-A545 HydrophobicContact CE1-CB 4.37Å; L401-A545 HydrophobicContact CB-CB 4.34Å; C543-A545 PolarHBondContact O-N 2.86Å; A545-S549 WeakPolarHBondContact O-CB 3.4Å; A545-S549 PolarHBondContact O-N 2.91Å
546A97.8Very high91.4Very high0 Ų029.8 Ų29.80%016%0.16CC..Hα-helixtrans-66.3-43.7177.900000111.7H84 F88 D90 C91 C543 F544 S549 G550H84-A546 PolarHBondContact CE1-O 3Å; F88-A546 HydrophobicContact CB-CB 4.04Å; F88-A546 HydrophobicContact CD1-CB 4.49Å; D90-A546 HydrophobicContact CB-CB 4.13Å; C91-A546 HydrophobicContact CB-CB 4.21Å; C543-A546 HydrophobicContact CB-CB 3.91Å; C543-A546 PolarHBondContact O-N 2.97Å; F544-A546 PolarHBondContact O-N 2.94Å; A546-S549 PolarHBondContact O-N 3.42Å; A546-G550 PolarHBondContact O-N 3.2Å
547K97.9Very high94.1Very high5 Ų525.6 Ų25.62%0.02214%0.135CC..Hα-helixtrans-64.6-45.9179.3-163.677.2162.9-159.30112.1F94 L409 E416 D542 C543 F544 G550 L551F94-K547 HydrophobicContact CD1-CD 4.25Å; F94-K547 HydrophobicContact CD2-CD 4.4Å; F94-K547 HydrophobicContact CE1-CD 4.16Å; F94-K547 HydrophobicContact CE2-CD 4.37Å; F94-K547 HydrophobicContact CG-CD 4.39Å; F94-K547 HydrophobicContact CZ-CD 4.25Å; L409-K547 HydrophobicContact CD1-CB 3.81Å; L409-K547 HydrophobicContact CD1-CG 3.82Å; E416-K547 VanDerWaalsContact OE1-CE 3.27Å; E416-K547 WeakPolarHBondContact OE1-CE 3.37Å; E416-K547 IonicContact OE1-NZ 2.85Å; E416-K547 PolarHBondContact OE1-NZ 3Å; E416-K547 IonicContact OE2-NZ 3.75Å; D542-K547 HydrophobicContact CB-CD 4.47Å; D542-K547 WeakPolarHBondContact OD2-CE 3.31Å; D542-K547 IonicContact OD2-NZ 2.66Å; D542-K547 PolarHBondContact OD2-NZ 2.88Å; C543-K547 VanDerWaalsContact O-CB 3.29Å; C543-K547 WeakPolarHBondContact O-CB 3.38Å; C543-K547 PolarHBondContact O-N 3.33Å; F544-K547 PolarHBondContact O-N 3.31Å; K547-G550 PolarHBondContact O-N 3.21Å; K547-L551 PolarHBondContact O-N 3.36Å
548C97.8Very high96.2Very high13 Ų1321.8 Ų21.89%0.08811%0.114CC..Hα-helixtrans-63.1-45.1178-68.90000111.4F544 G550 L551 Q552F544-C548 VanDerWaalsContact CZ-SG 3.59Å; F544-C548 WeakPolarHBondContact O-CB 3.42Å; F544-C548 PolarHBondContact O-N 3.43Å; F544-C548 PolarHBondContact O-SG 3.2Å; C548-G550 PolarHBondContact O-N 3.28Å; C548-L551 PolarHBondContact O-N 3.33Å; C548-Q552 PolarHBondContact O-N 3.34Å; C548-Q552 VanDerWaalsContact O-N 3.08Å
549S98.1Very high97.3Very high17 Ų1718.2 Ų18.212%0.11910%0.098CC..Hα-helixtrans-62.1-43.2174.3175.30000111.8H84 F88 A545 A546 L551 Q552 V553H84-S549 PolarHBondContact ND1-OG 3.42Å; H84-S549 VanDerWaalsContact ND1-OG 3.1Å; F88-S549 WeakPolarHBondContact CD2-OG 3.49Å; F88-S549 WeakPolarHBondContact CE2-OG 3.23Å; F88-S549 VanDerWaalsContact CZ-CB 3.46Å; F88-S549 WeakPolarHBondContact CZ-OG 3.29Å; A545-S549 WeakPolarHBondContact O-CB 3.4Å; A545-S549 PolarHBondContact O-N 2.91Å; A546-S549 PolarHBondContact O-N 3.42Å; S549-L551 VanDerWaalsContact C-N 3.32Å; S549-L551 PolarHBondContact O-N 3.13Å; S549-Q552 PolarHBondContact O-N 3.35Å; S549-V553 WeakPolarHBondContact O-CB 3.34Å; S549-V553 VanDerWaalsContact O-CG2 3.29Å; S549-V553 WeakPolarHBondContact O-CG2 3.28Å; S549-V553 PolarHBondContact O-N 2.96Å
550G98.4Very high97.6Very high0 Ų021.4 Ų21.40%012%0.115CC..Hα-helixtrans-61.6-39.7178.800000112.6H84 T95 A546 K547 C548 A554H84-G550 PolarHBondContact CE1-N 2.98Å; T95-G550 WeakPolarHBondContact CG2-O 3.4Å; T95-G550 WeakPolarHBondContact OG1-CA 3.48Å; A546-G550 PolarHBondContact O-N 3.2Å; K547-G550 PolarHBondContact O-N 3.21Å; C548-G550 PolarHBondContact O-N 3.28Å; G550-A554 VanDerWaalsContact O-CB 3.24Å; G550-A554 WeakPolarHBondContact O-CB 3.45Å; G550-A554 PolarHBondContact O-N 2.95Å
551L98.6Very high97.7Very high1 Ų119.3 Ų19.31%0.00510%0.102CC..Hα-helixtrans-62.6-48.1175.1175.562.3000110.7F94 L98 L124 C127 L131 L419 F452 L456 K547 C548 S549 A554 V555F94-L551 HydrophobicContact CE1-CB 4.34Å; F94-L551 HydrophobicContact CZ-CB 4.45Å; L98-L551 HydrophobicContact CD2-CD1 3.66Å; L124-L551 HydrophobicContact CD1-CD2 4.4Å; L124-L551 HydrophobicContact CD1-CG 3.95Å; C127-L551 HydrophobicContact CB-CD2 3.88Å; L131-L551 HydrophobicContact CD1-CD2 4.14Å; L419-L551 HydrophobicContact CD1-CD2 4.38Å; F452-L551 HydrophobicContact CZ-CD1 4.29Å; L456-L551 HydrophobicContact CD2-CD1 4.32Å; K547-L551 PolarHBondContact O-N 3.36Å; C548-L551 PolarHBondContact O-N 3.33Å; S549-L551 VanDerWaalsContact C-N 3.32Å; S549-L551 PolarHBondContact O-N 3.13Å; L551-A554 PolarHBondContact O-N 3.21Å; L551-V555 HydrophobicContact CD1-CG2 4.19Å; L551-V555 VanDerWaalsContact O-CG2 3.31Å; L551-V555 WeakPolarHBondContact O-CG2 3.37Å; L551-V555 PolarHBondContact O-N 3.24Å; L551-V555 VanDerWaalsContact O-N 3.1Å
552Q98.6Very high97.6Very high102 Ų10219.7 Ų19.748%0.47711%0.105SC..Hα-helixtrans-61.5-48.8178.5-179.4174.310.400112.1L124 C548 S549 A554 V555 E556L124-Q552 HydrophobicContact CD1-CB 4.33Å; L124-Q552 HydrophobicContact CD2-CG 4.26Å; C548-Q552 PolarHBondContact O-N 3.34Å; C548-Q552 VanDerWaalsContact O-N 3.08Å; S549-Q552 PolarHBondContact O-N 3.35Å; Q552-A554 PolarHBondContact O-N 3.27Å; Q552-V555 PolarHBondContact O-N 3.47Å; Q552-E556 HydrophobicContact CG-CG 4.31Å; Q552-E556 WeakPolarHBondContact O-CB 3.47Å; Q552-E556 WeakPolarHBondContact O-CG 3.36Å; Q552-E556 PolarHBondContact O-N 3.29Å
553V98.6Very high97.4Very high31 Ų3123.6 Ų23.619%0.18813%0.125CC..Hα-helixtrans-61.4-46179.4171.60000110.4H84 T95 S549 V555 T557H84-V553 HydrophobicContact CB-CG1 4.41Å; H84-V553 HydrophobicContact CB-CG2 4.36Å; T95-V553 HydrophobicContact CG2-CB 3.97Å; T95-V553 HydrophobicContact CG2-CG1 3.75Å; S549-V553 WeakPolarHBondContact O-CB 3.34Å; S549-V553 VanDerWaalsContact O-CG2 3.29Å; S549-V553 WeakPolarHBondContact O-CG2 3.28Å; S549-V553 PolarHBondContact O-N 2.96Å; V553-V555 PolarHBondContact O-N 2.75Å; V553-T557 WeakPolarHBondContact O-CB 3.33Å; V553-T557 PolarHBondContact O-N 3.01Å; V553-T557 PolarHBondContact O-OG1 3.43Å
554A98.7Very high97.1Very high0 Ų026.1 Ų26.10%014%0.138CC..Hα-helixtrans-59.1-45.2179.600000112.6T95 L98 C99 G550 L551 Q552 A558T95-A554 HydrophobicContact CG2-CB 4.15Å; T95-A554 WeakPolarHBondContact O-CB 3.43Å; L98-A554 HydrophobicContact CB-CB 3.91Å; L98-A554 HydrophobicContact CD2-CB 3.85Å; L98-A554 HydrophobicContact CG-CB 3.86Å; C99-A554 HydrophobicContact CB-CB 4.13Å; G550-A554 VanDerWaalsContact O-CB 3.24Å; G550-A554 WeakPolarHBondContact O-CB 3.45Å; G550-A554 PolarHBondContact O-N 2.95Å; L551-A554 PolarHBondContact O-N 3.21Å; Q552-A554 PolarHBondContact O-N 3.27Å; A554-A558 VanDerWaalsContact O-CB 3.27Å; A554-A558 WeakPolarHBondContact O-CB 3.33Å; A554-A558 PolarHBondContact O-N 2.87Å
555V98.7Very high96.5Very high0 Ų030 Ų300%017%0.166CC..Hα-helixtrans-71.7-45.3-178176.20000111.7L102 S120 L124 F452 L551 Q552 V553 A558 N559L102-V555 HydrophobicContact CD1-CB 4.42Å; L102-V555 HydrophobicContact CD1-CG2 3.75Å; S120-V555 WeakPolarHBondContact OG-CG1 3.28Å; L124-V555 HydrophobicContact CB-CB 4.45Å; L124-V555 HydrophobicContact CB-CG1 3.98Å; L124-V555 HydrophobicContact CD1-CB 4.28Å; L124-V555 HydrophobicContact CD1-CG2 4.25Å; L124-V555 HydrophobicContact CD2-CB 4.07Å; L124-V555 HydrophobicContact CD2-CG1 4.02Å; L124-V555 HydrophobicContact CG-CB 4.5Å; L124-V555 HydrophobicContact CG-CG1 4.45Å; F452-V555 HydrophobicContact CE2-CG2 3.65Å; F452-V555 HydrophobicContact CZ-CG2 4.24Å; L551-V555 HydrophobicContact CD1-CG2 4.19Å; L551-V555 VanDerWaalsContact O-CG2 3.31Å; L551-V555 WeakPolarHBondContact O-CG2 3.37Å; L551-V555 PolarHBondContact O-N 3.24Å; L551-V555 VanDerWaalsContact O-N 3.1Å; Q552-V555 PolarHBondContact O-N 3.47Å; V553-V555 PolarHBondContact O-N 2.75Å; V555-A558 PolarHBondContact O-N 2.67Å; V555-N559 WeakPolarHBondContact O-CB 3.21Å; V555-N559 PolarHBondContact O-N 3.35Å; V555-N559 PolarHBondContact O-ND2 3.48Å
556E98.4Very high96Very high74 Ų7432 Ų3235%0.34618%0.179SC..Hα-helixtrans-67.4-39.1179.9-67.6-67.7-17900111.8L124 Q552 N559 L560L124-E556 HydrophobicContact CD2-CG 4.09Å; Q552-E556 HydrophobicContact CG-CG 4.31Å; Q552-E556 WeakPolarHBondContact O-CB 3.47Å; Q552-E556 WeakPolarHBondContact O-CG 3.36Å; Q552-E556 PolarHBondContact O-N 3.29Å; E556-N559 PolarHBondContact O-N 3.09Å; E556-L560 WeakPolarHBondContact O-CB 3.22Å; E556-L560 PolarHBondContact O-N 2.94Å
557T98.3Very high95.5Very high10 Ų1033.5 Ų33.56%0.06119%0.186CC..Hα-helixtrans-65.8-41.3174.4-61.90000111.5S80 V553 L560 I561S80-T557 WeakPolarHBondContact CB-OG1 3.45Å; S80-T557 PolarHBondContact OG-OG1 2.86Å; V553-T557 WeakPolarHBondContact O-CB 3.33Å; V553-T557 PolarHBondContact O-N 3.01Å; V553-T557 PolarHBondContact O-OG1 3.43Å; T557-L560 PolarHBondContact O-N 3.47Å; T557-I561 HydrophobicContact CG2-CD1 3.94Å; T557-I561 WeakPolarHBondContact O-CG1 3.45Å; T557-I561 PolarHBondContact O-N 3.1Å
558A97.8Very high95Very high0 Ų038.8 Ų38.80%021%0.213CC..Hα-helixtrans-62.2-43.7174.400000111.6L102 I103 A554 V555 I561 L562L102-A558 HydrophobicContact CB-CB 3.84Å; L102-A558 HydrophobicContact CD1-CB 4.28Å; I103-A558 HydrophobicContact CG1-CB 3.85Å; A554-A558 VanDerWaalsContact O-CB 3.27Å; A554-A558 WeakPolarHBondContact O-CB 3.33Å; A554-A558 PolarHBondContact O-N 2.87Å; V555-A558 PolarHBondContact O-N 2.67Å; A558-I561 PolarHBondContact O-N 3.27Å; A558-L562 WeakPolarHBondContact O-CG 3.28Å; A558-L562 PolarHBondContact O-N 3.27Å
559N97.2Very high94.4Very high4 Ų443.7 Ų43.72%0.02124%0.235CC..Hα-helixtrans-62.5-42.6176.3-69.9-22.2000111.9I117 S120 V555 E556 I561 L562 D563I117-N559 WeakPolarHBondContact CD1-O 3.27Å; I117-N559 HydrophobicContact CG1-CB 4.13Å; I117-N559 HydrophobicContact CG2-CB 4.05Å; S120-N559 VanDerWaalsContact CB-OD1 3.24Å; S120-N559 WeakPolarHBondContact CB-OD1 3.22Å; S120-N559 PolarHBondContact OG-OD1 3.21Å; V555-N559 WeakPolarHBondContact O-CB 3.21Å; V555-N559 PolarHBondContact O-N 3.35Å; V555-N559 PolarHBondContact O-ND2 3.48Å; E556-N559 PolarHBondContact O-N 3.09Å; N559-I561 VanDerWaalsContact C-N 3.33Å; N559-I561 PolarHBondContact O-N 2.86Å; N559-L562 PolarHBondContact O-N 2.87Å; N559-D563 PolarHBondContact O-N 3.36Å; N559-D563 VanDerWaalsContact O-N 3.14Å
560L96.3Very high93.8Very high95 Ų9547.8 Ų47.850%0.49726%0.256SS..Hα-helixtrans-60.1-44.3175.9178.265.8000111.2V76 E556 T557 D563V76-L560 HydrophobicContact CG1-CD2 3.9Å; E556-L560 WeakPolarHBondContact O-CB 3.22Å; E556-L560 PolarHBondContact O-N 2.94Å; T557-L560 PolarHBondContact O-N 3.47Å; L560-D563 PolarHBondContact O-N 2.85Å
561I95.4Very high92.9Very high0 Ų051.7 Ų51.70%027%0.274CS..Hα-helixtrans-65.8-40.1179.2-73.2167.7000111.2L17 I73 L77 I103 T557 A558 N559 D563 L564L17-I561 HydrophobicContact CD1-CG2 4.05Å; L17-I561 VanDerWaalsContact CD1-O 3.29Å; L17-I561 WeakPolarHBondContact CD1-O 3.14Å; L17-I561 HydrophobicContact CD2-CG2 3.73Å; L17-I561 HydrophobicContact CG-CG2 4.28Å; I73-I561 HydrophobicContact CG2-CD1 4.05Å; I73-I561 HydrophobicContact CG2-CG1 4.17Å; I73-I561 HydrophobicContact CG2-CG2 3.65Å; L77-I561 HydrophobicContact CB-CD1 4.03Å; L77-I561 HydrophobicContact CD1-CD1 4.42Å; I103-I561 HydrophobicContact CD1-CB 4.23Å; I103-I561 HydrophobicContact CD1-CD1 3.67Å; I103-I561 HydrophobicContact CD1-CG2 3.99Å; I103-I561 HydrophobicContact CG1-CG2 4.32Å; I103-I561 HydrophobicContact CG2-CG2 4.44Å; T557-I561 HydrophobicContact CG2-CD1 3.94Å; T557-I561 WeakPolarHBondContact O-CG1 3.45Å; T557-I561 PolarHBondContact O-N 3.1Å; A558-I561 PolarHBondContact O-N 3.27Å; N559-I561 VanDerWaalsContact C-N 3.33Å; N559-I561 PolarHBondContact O-N 2.86Å; I561-D563 PolarHBondContact O-N 2.84Å; I561-L564 HydrophobicContact CG1-CD1 4.48Å; I561-L564 WeakPolarHBondContact O-CB 3.23Å; I561-L564 WeakPolarHBondContact O-CG 3.18Å; I561-L564 PolarHBondContact O-N 2.88Å
562L93.1Very high91.8Very high13 Ų1357.6 Ų57.67%0.06831%0.306CS..Hα-helixtrans-64.6-25.4175.8-74.6175.2000114L17 Y106 S113 V116 I117 A558 N559 L564L17-L562 HydrophobicContact CD1-CD2 4.1Å; Y106-L562 HydrophobicContact CD2-CD1 3.56Å; Y106-L562 HydrophobicContact CE2-CD1 4.42Å; Y106-L562 HydrophobicContact CG-CD1 4.12Å; S113-L562 WeakPolarHBondContact CB-O 3.26Å; S113-L562 PolarHBondContact OG-O 3.28Å; V116-L562 HydrophobicContact CG1-CD1 4.2Å; I117-L562 HydrophobicContact CD1-CB 4.13Å; I117-L562 HydrophobicContact CG1-CB 4.24Å; I117-L562 HydrophobicContact CG1-CD1 4.46Å; A558-L562 WeakPolarHBondContact O-CG 3.28Å; A558-L562 PolarHBondContact O-N 3.27Å; N559-L562 PolarHBondContact O-N 2.87Å; L562-L564 VanDerWaalsContact C-N 3.33Å
563D92.9Very high91.5Very high110 Ų11055.4 Ų55.459%0.58830%0.297SS*.THydrogen-bonded Turntrans-85.2-6.3179.7-152.138.1000112.7I117 N559 L560 I561 S565I117-D563 HydrophobicContact CD1-CB 3.82Å; N559-D563 PolarHBondContact O-N 3.36Å; N559-D563 VanDerWaalsContact O-N 3.14Å; L560-D563 PolarHBondContact O-N 2.85Å; I561-D563 PolarHBondContact O-N 2.84Å; D563-S565 PolarHBondContact O-N 3.29Å; D563-S565 VanDerWaalsContact O-N 3.1Å
564L90.9Very high91.1Very high56 Ų5656.7 Ų56.729%0.29330%0.303SS..  trans-68.1109.1179.5-67.4173.9000111.1P16 I73 I561 L562P16-L564 HydrophobicContact CG-CB 4.15Å; I73-L564 HydrophobicContact CD1-CD1 4.4Å; I73-L564 HydrophobicContact CG1-CD1 3.84Å; I561-L564 HydrophobicContact CG1-CD1 4.48Å; I561-L564 WeakPolarHBondContact O-CB 3.23Å; I561-L564 WeakPolarHBondContact O-CG 3.18Å; I561-L564 PolarHBondContact O-N 2.88Å; L562-L564 VanDerWaalsContact C-N 3.33Å
565S86.1Confident90.7Very high86 Ų8659.8 Ų59.860%0.60132%0.32SS*.  trans-84.9-38.217760.20000113.4E15 D563E15-S565 PolarHBondContact N-O 2.84Å; D563-S565 PolarHBondContact O-N 3.29Å; D563-S565 VanDerWaalsContact O-N 3.1Å
566C86.9Confident90.2Very high56 Ų5663.4 Ų63.438%0.37834%0.338SS..EExtended strand (participates in β ladder)trans-148.7152.8-178.462.10000113.1V13V13-C566 CarbonylContact O-C 3.55Å; V13-C566 WeakPolarHBondContact O-CA 3.45Å
567I86.8Confident89.7Confident30 Ų3062.7 Ų62.715%0.15434%0.338CS..EExtended strand (participates in β ladder)trans-117.4128.8170-63.5176000107.6C12 V13 P16 P72 I73C12-I567 CarbonylContact C-O 3.59Å; C12-I567 WeakPolarHBondContact CA-O 3.37Å; V13-I567 HydrophobicContact CB-CB 4.48Å; V13-I567 PolarHBondContact N-O 3.05Å; V13-I567 PolarHBondContact O-N 2.77Å; P16-I567 HydrophobicContact CB-CD1 3.37Å; P16-I567 HydrophobicContact CB-CG1 3.78Å; P16-I567 HydrophobicContact CG-CD1 3.93Å; P16-I567 HydrophobicContact CG-CG1 3.92Å; P72-I567 HydrophobicContact CB-CD1 4.26Å; P72-I567 HydrophobicContact CG-CD1 4.45Å; P72-I567 HydrophobicContact CG-CG2 4.1Å; I73-I567 HydrophobicContact CD1-CD1 4.36Å; I73-I567 HydrophobicContact CG1-CD1 4.15Å
568I88.2Confident89.1Confident116 Ų11666.2 Ų66.260%0.59536%0.356SS*.EExtended strand (participates in β ladder)trans-113.4117.3176.1-55.8174000108.1L11L11-I568 CarbonylContact O-C 3.48Å; L11-I568 WeakPolarHBondContact O-CA 3.33Å
569E85.3Confident88.5Confident116 Ų11670.9 Ų70.954%0.54238%0.382SS..EExtended strand (participates in β ladder)trans-108.6119.5178.3-173.5178.1-166.900109.8S10 L11S10-E569 CarbonylContact C-O 3.57Å; S10-E569 WeakPolarHBondContact CA-O 3.36Å; S10-E569 WeakPolarHBondContact CB-O 3.21Å; L11-E569 HydrophobicContact CB-CB 4.42Å; L11-E569 PolarHBondContact N-O 3.16Å; L11-E569 PolarHBondContact O-N 2.89Å
570D85.3Confident87.8Confident104 Ų10476.1 Ų76.156%0.55641%0.41SS*.  trans-79.2124170.5-165.4-2.7000109.4N572D570-N572 VanDerWaalsContact C-N 3.32Å; D570-N572 PolarHBondContact OD1-N 3.42Å; D570-N572 PolarHBondContact OD1-ND2 3.01Å
571Q79.3Confident87.1Confident82 Ų8274.5 Ų74.538%0.38340%0.402SS..  trans-90.96.5-176.9-67.5-151.3-28.800113.7K8 L11K8-Q571 HydrophobicContact CB-CB 3.85Å; K8-Q571 HydrophobicContact CD-CB 4.2Å; L11-Q571 HydrophobicContact CD1-CG 4.47Å; L11-Q571 HydrophobicContact CG-CG 4.14Å; L11-Q571 VanDerWaalsContact CG-NE2 3.34Å
572N75.5Confident86.4Confident125 Ų12581.3 Ų81.367%0.66844%0.439SS*.  trans-101.90-172.9-61.9-63.1000114.3K7 K8 D570K7-N572 WeakPolarHBondContact CA-OD1 3.17Å; K8-N572 PolarHBondContact N-OD1 3.3Å; K8-N572 PolarHBondContact O-ND2 3.02Å; D570-N572 VanDerWaalsContact C-N 3.32Å; D570-N572 PolarHBondContact OD1-N 3.42Å; D570-N572 PolarHBondContact OD1-ND2 3.01Å

Retrieved 572 of 572 residues in 313.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).