A0A096NWR7_PAPAN Loading...

ATP-dependent RNA helicase A

AlphaFold DB (A0A2K5ZUW5), UniProt , Accession A0A096NWR7, Species PAPAN (Papio anubis, Olive baboon), Gene DHX9, Length 1,275 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
1M31.2Very low74.8Confident238 Ų23863.5 Ų63.5100%1.17234%0.34SS*.  0110.70-70.3171.1172.800108.1
2G47.4Very low75.6Confident39 Ų3958.3 Ų58.340%0.40231%0.312SS..  trans-103.4130.3174.400000110V4G2-V4 PolarHBondContact O-N 3.13Å
3D74.2Confident75.9Confident45 Ų4557.5 Ų57.524%0.24133%0.326CS..  trans-62.9129.6168.7-169.8-22.1000108.6K5 N6 F7 S59D3-K5 PolarHBondContact O-N 3.17Å; D3-K5 VanDerWaalsContact O-N 3.15Å; D3-K5 WeakPolarHBondContact OD1-CB 3.43Å; D3-K5 PolarHBondContact OD1-N 3.31Å; D3-K5 VanDerWaalsContact OD1-N 3.11Å; D3-N6 HydrophobicContact CB-CB 4.29Å; D3-N6 WeakPolarHBondContact O-CA 3.47Å; D3-N6 WeakPolarHBondContact O-CB 3.29Å; D3-N6 PolarHBondContact O-N 3.07Å; D3-F7 PolarHBondContact O-N 2.83Å; D3-S59 PolarHBondContact OD1-OG 3.36Å
4V80.1Confident76.5Confident4 Ų466.5 Ų66.52%0.02436%0.36CS..Hα-helixtrans-57.9-30.5-179.8-178.10000110.8G2 F7 L8 R63 V66 F83G2-V4 PolarHBondContact O-N 3.13Å; V4-F7 WeakPolarHBondContact O-CB 3.32Å; V4-F7 PolarHBondContact O-N 2.99Å; V4-L8 PolarHBondContact O-N 3.45Å; V4-R63 HydrophobicContact CG1-CB 4.13Å; V4-R63 HydrophobicContact CG1-CG 4.44Å; V4-V66 HydrophobicContact CG1-CG2 4.21Å; V4-F83 HydrophobicContact CG2-CE2 3.98Å
5K81.5Confident76.9Confident39 Ų3969.1 Ų69.117%0.1736%0.362CS..Hα-helixtrans-58.7-46.7170.8-172.3179.8179-172.90112.3D3 F7 L8 Y9 Q58 A62D3-K5 PolarHBondContact O-N 3.17Å; D3-K5 VanDerWaalsContact O-N 3.15Å; D3-K5 WeakPolarHBondContact OD1-CB 3.43Å; D3-K5 PolarHBondContact OD1-N 3.31Å; D3-K5 VanDerWaalsContact OD1-N 3.11Å; K5-F7 VanDerWaalsContact C-N 3.34Å; K5-L8 PolarHBondContact O-N 3.4Å; K5-Y9 HydrophobicContact CG-CD2 4.18Å; K5-Y9 HydrophobicContact CG-CE2 4.12Å; K5-Y9 VanDerWaalsContact O-CD2 3.32Å; K5-Y9 WeakPolarHBondContact O-CD2 3.49Å; K5-Y9 PolarHBondContact O-N 3.18Å; K5-Q58 HydrophobicContact CD-CB 4.38Å; K5-A62 HydrophobicContact CB-CB 4.23Å
6N82.3Confident77.3Confident101 Ų10177.4 Ų77.454%0.5439%0.394SS..Hα-helixtrans-69.1-33.3179-67.9-10000111.8D3 A10D3-N6 HydrophobicContact CB-CB 4.29Å; D3-N6 WeakPolarHBondContact O-CA 3.47Å; D3-N6 WeakPolarHBondContact O-CB 3.29Å; D3-N6 PolarHBondContact O-N 3.07Å; N6-A10 WeakPolarHBondContact O-CB 3.48Å; N6-A10 PolarHBondContact O-N 3.3Å
7F85.6Confident77.8Confident49 Ų4974.7 Ų74.722%0.21538%0.38CS..Hα-helixtrans-62-47.6172175.5-93.4000111.5D3 V4 K5 Y9 A10 W11 V66 I75 E79 P81D3-F7 PolarHBondContact O-N 2.83Å; V4-F7 WeakPolarHBondContact O-CB 3.32Å; V4-F7 PolarHBondContact O-N 2.99Å; K5-F7 VanDerWaalsContact C-N 3.34Å; F7-Y9 PolarHBondContact O-N 3.42Å; F7-A10 PolarHBondContact O-N 3.19Å; F7-W11 PolarHBondContact O-N 2.9Å; F7-V66 HydrophobicContact CD1-CG1 4.35Å; F7-V66 HydrophobicContact CD1-CG2 4.02Å; F7-V66 HydrophobicContact CE1-CG1 3.98Å; F7-V66 HydrophobicContact CE1-CG2 4.25Å; F7-I75 HydrophobicContact CE1-CD1 3.92Å; F7-I75 HydrophobicContact CZ-CD1 4.33Å; F7-I75 HydrophobicContact CZ-CG2 4.24Å; F7-E79 VanDerWaalsContact CE2-O 3.23Å; F7-E79 WeakPolarHBondContact CE2-O 3.46Å; F7-P81 HydrophobicContact CD2-CG 4.41Å
8L85.4Confident77.8Confident0 Ų076.2 Ų76.20%039%0.394CS..Hα-helixtrans-61.9-43.8176.9-176.358.4000111.9V4 K5 A10 W11 C12 V38 A62 F65 V66 L69V4-L8 PolarHBondContact O-N 3.45Å; K5-L8 PolarHBondContact O-N 3.4Å; L8-A10 VanDerWaalsContact C-N 3.34Å; L8-A10 PolarHBondContact O-N 2.91Å; L8-W11 HydrophobicContact CD1-CE3 4.42Å; L8-W11 PolarHBondContact O-N 3.48Å; L8-C12 WeakPolarHBondContact O-CB 3.36Å; L8-C12 PolarHBondContact O-N 3.42Å; L8-C12 PolarHBondContact O-SG 3.48Å; L8-V38 HydrophobicContact CD2-CG2 4.29Å; L8-A62 HydrophobicContact CD2-CB 4.15Å; L8-F65 HydrophobicContact CD1-CD1 3.99Å; L8-F65 HydrophobicContact CD2-CB 4.03Å; L8-F65 HydrophobicContact CD2-CD1 4.34Å; L8-F65 HydrophobicContact CD2-CG 4.31Å; L8-V66 HydrophobicContact CB-CG2 4.06Å; L8-V66 HydrophobicContact CD1-CG2 4.07Å; L8-V66 HydrophobicContact CG-CG2 4.47Å; L8-L69 HydrophobicContact CD1-CD1 4.03Å
9Y85.5Confident78.3Confident99 Ų9972.5 Ų72.539%0.38838%0.375SS..Hα-helixtrans-58.5-42.5172.9-89.4-74.2000112.8K5 F7 G13 P19 Y21K5-Y9 HydrophobicContact CG-CD2 4.18Å; K5-Y9 HydrophobicContact CG-CE2 4.12Å; K5-Y9 VanDerWaalsContact O-CD2 3.32Å; K5-Y9 WeakPolarHBondContact O-CD2 3.49Å; K5-Y9 PolarHBondContact O-N 3.18Å; F7-Y9 PolarHBondContact O-N 3.42Å; Y9-G13 PolarHBondContact O-N 3.26Å; Y9-P19 HydrophobicContact CD1-CG 3.56Å; Y9-P19 HydrophobicContact CD2-CG 4.29Å; Y9-P19 HydrophobicContact CE1-CG 3.48Å; Y9-P19 VanDerWaalsContact CE1-CG 3.48Å; Y9-P19 HydrophobicContact CE2-CG 4.22Å; Y9-P19 HydrophobicContact CG-CG 3.96Å; Y9-P19 PolarHBondContact OH-O 3.14Å; Y9-Y21 HydrophobicContact CD2-CE2 4.46Å; Y9-Y21 HydrophobicContact CE2-CD2 4.31Å; Y9-Y21 AromaticContact CE2-CE2 3.53Å; Y9-Y21 HydrophobicContact CE2-CE2 3.53Å; Y9-Y21 AromaticContact CZ-CE2 3.72Å; Y9-Y21 WeakPolarHBondContact OH-CD2 3.37Å; Y9-Y21 WeakPolarHBondContact OH-CE2 3.35Å
10A82.2Confident78.7Confident59 Ų5972.8 Ų72.849%0.48838%0.383SS..Hα-helixtrans-67.7-36.917800000112.6N6 F7 L8 K14N6-A10 WeakPolarHBondContact O-CB 3.48Å; N6-A10 PolarHBondContact O-N 3.3Å; F7-A10 PolarHBondContact O-N 3.19Å; L8-A10 VanDerWaalsContact C-N 3.34Å; L8-A10 PolarHBondContact O-N 2.91Å; A10-K14 WeakPolarHBondContact O-CG 3.49Å; A10-K14 PolarHBondContact O-N 2.95Å
11W86.9Confident78.9Confident26 Ų2670.9 Ų70.910%0.09837%0.372CS..Hα-helixtrans-68.6-48.3175.9-177.896.6000111.7F7 L8 G13 K14 R15 M17 Y43 L69 E74 I75F7-W11 PolarHBondContact O-N 2.9Å; L8-W11 HydrophobicContact CD1-CE3 4.42Å; L8-W11 PolarHBondContact O-N 3.48Å; W11-G13 VanDerWaalsContact C-N 3.34Å; W11-G13 PolarHBondContact O-N 3.02Å; W11-K14 PolarHBondContact O-N 3.34Å; W11-R15 VanDerWaalsContact CZ2-CZ 3.41Å; W11-M17 HydrophobicContact CE3-CE 4.25Å; W11-M17 HydrophobicContact CH2-CE 3.79Å; W11-M17 HydrophobicContact CZ3-CE 3.43Å; W11-M17 VanDerWaalsContact CZ3-CE 3.43Å; W11-Y43 HydrophobicContact CH2-CE2 4.16Å; W11-L69 HydrophobicContact CD2-CD1 4.04Å; W11-L69 HydrophobicContact CE3-CD1 3.75Å; W11-L69 HydrophobicContact CH2-CD1 3.66Å; W11-L69 HydrophobicContact CH2-CD2 3.56Å; W11-L69 HydrophobicContact CH2-CG 4.26Å; W11-L69 HydrophobicContact CZ2-CD1 3.93Å; W11-L69 HydrophobicContact CZ2-CD2 4.05Å; W11-L69 HydrophobicContact CZ3-CD1 3.56Å; W11-L69 HydrophobicContact CZ3-CD2 4.13Å; W11-E74 HydrophobicContact CZ2-CB 4.24Å; W11-I75 HydrophobicContact CD2-CD1 4.14Å; W11-I75 HydrophobicContact CG-CD1 3.96Å; W11-I75 HydrophobicContact CZ2-CG1 4.45Å; W11-I75 VanDerWaalsContact NE1-CG1 3.32Å
12C85.1Confident81.2Confident0 Ų063.4 Ų63.40%033%0.334CS..Hα-helixtrans-60.1-43.6175.4-68.40000111.6L8 K14 R15 K16 M17 P19L8-C12 WeakPolarHBondContact O-CB 3.36Å; L8-C12 PolarHBondContact O-N 3.42Å; L8-C12 PolarHBondContact O-SG 3.48Å; C12-K14 PolarHBondContact O-N 3.01Å; C12-R15 CarbonylContact O-C 3.45Å; C12-R15 WeakPolarHBondContact O-CA 3.32Å; C12-R15 PolarHBondContact O-N 2.94Å; C12-K16 PolarHBondContact O-N 3.31Å; C12-K16 VanDerWaalsContact O-N 3.12Å; C12-M17 CarbonylContact C-O 3.59Å; C12-M17 VanDerWaalsContact C-O 3.28Å; C12-M17 HydrophobicContact CB-CB 4.22Å; C12-M17 WeakPolarHBondContact CB-O 3.31Å; C12-M17 PolarHBondContact O-N 2.98Å; C12-P19 HydrophobicContact CB-CG 4.42Å
13G79.8Confident82.7Confident48 Ų4864.5 Ų64.550%0.49533%0.329SS..Hα-helixtrans-60-39.7178.900000113.6Y9 W11 R15 K16Y9-G13 PolarHBondContact O-N 3.26Å; W11-G13 VanDerWaalsContact C-N 3.34Å; W11-G13 PolarHBondContact O-N 3.02Å; G13-R15 PolarHBondContact O-N 3.45Å; G13-K16 PolarHBondContact O-N 3.44Å
14K84.4Confident82.6Confident184 Ų18466.2 Ų66.280%0.833%0.333SS*.Hα-helixtrans-59.9-27.2172.8-75.8174.7179.8-1800113.1A10 W11 C12A10-K14 WeakPolarHBondContact O-CG 3.49Å; A10-K14 PolarHBondContact O-N 2.95Å; W11-K14 PolarHBondContact O-N 3.34Å; C12-K14 PolarHBondContact O-N 3.01Å
15R82.4Confident81.7Confident105 Ų10569 Ų6940%0.39636%0.356SS..THydrogen-bonded Turntrans-102.99.9-179.4-64.2-171.1179.5-152.28.9113.7W11 C12 G13 M17 E74W11-R15 VanDerWaalsContact CZ2-CZ 3.41Å; C12-R15 CarbonylContact O-C 3.45Å; C12-R15 WeakPolarHBondContact O-CA 3.32Å; C12-R15 PolarHBondContact O-N 2.94Å; G13-R15 PolarHBondContact O-N 3.45Å; R15-M17 HydrophobicContact CB-CE 3.61Å; R15-M17 HydrophobicContact CB-CG 4.38Å; R15-M17 HydrophobicContact CG-CE 4.25Å; R15-M17 PolarHBondContact O-N 3.45Å; R15-E74 IonicContact CZ-OE2 2.86Å; R15-E74 IonicContact NH1-OE1 2.74Å; R15-E74 PolarHBondContact NH1-OE1 3.42Å; R15-E74 IonicContact NH1-OE2 2.91Å; R15-E74 PolarHBondContact NH1-OE2 3.02Å; R15-E74 IonicContact NH2-OE2 2.65Å; R15-E74 PolarHBondContact NH2-OE2 3.39Å
16K82.8Confident80.3Confident203 Ų20370.2 Ų70.288%0.88337%0.367SS*.THydrogen-bonded Turntrans58.226.2-175.5-55.1-178.9179.5178.50114.6C12 G13C12-K16 PolarHBondContact O-N 3.31Å; C12-K16 VanDerWaalsContact O-N 3.12Å; G13-K16 PolarHBondContact O-N 3.44Å
17M85.3Confident78.5Confident31 Ų3167.2 Ų67.215%0.15336%0.36CS..  trans-102.8160174.4-59.1-176.7-68.200110.2W11 C12 R15 V40 Y43W11-M17 HydrophobicContact CE3-CE 4.25Å; W11-M17 HydrophobicContact CH2-CE 3.79Å; W11-M17 HydrophobicContact CZ3-CE 3.43Å; W11-M17 VanDerWaalsContact CZ3-CE 3.43Å; C12-M17 CarbonylContact C-O 3.59Å; C12-M17 VanDerWaalsContact C-O 3.28Å; C12-M17 HydrophobicContact CB-CB 4.22Å; C12-M17 WeakPolarHBondContact CB-O 3.31Å; C12-M17 PolarHBondContact O-N 2.98Å; R15-M17 HydrophobicContact CB-CE 3.61Å; R15-M17 HydrophobicContact CB-CG 4.38Å; R15-M17 HydrophobicContact CG-CE 4.25Å; R15-M17 PolarHBondContact O-N 3.45Å; M17-V40 HydrophobicContact CB-CG1 3.97Å; M17-V40 HydrophobicContact CE-CG1 4.1Å; M17-V40 HydrophobicContact SD-CG1 3.88Å; M17-Y43 HydrophobicContact CE-CE2 3.93Å; M17-Y43 HydrophobicContact SD-CD2 4.5Å; M17-Y43 HydrophobicContact SD-CE2 3.92Å
18T78.9Confident76.4Confident101 Ų10169.2 Ų69.262%0.6237%0.373SS*.  trans-127.6123.8176.9-8.40000110.6S20T18-S20 PolarHBondContact O-N 3.49Å
19P85.8Confident74.4Confident6 Ų677.3 Ų77.34%0.03941%0.408CS..EExtended strand (participates in β ladder)trans-77.2122.917529.7-30.5000110.1Y9 C12 Y21 V38 Q39 V40Y9-P19 HydrophobicContact CD1-CG 3.56Å; Y9-P19 HydrophobicContact CD2-CG 4.29Å; Y9-P19 HydrophobicContact CE1-CG 3.48Å; Y9-P19 VanDerWaalsContact CE1-CG 3.48Å; Y9-P19 HydrophobicContact CE2-CG 4.22Å; Y9-P19 HydrophobicContact CG-CG 3.96Å; Y9-P19 PolarHBondContact OH-O 3.14Å; C12-P19 HydrophobicContact CB-CG 4.42Å; P19-Y21 HydrophobicContact CB-CE2 3.92Å; P19-Y21 HydrophobicContact CG-CE2 4.11Å; P19-V38 HydrophobicContact CB-CG2 3.95Å; P19-Q39 CarbonylContact C-O 3.5Å; P19-Q39 WeakPolarHBondContact CA-O 3.25Å; P19-V40 HydrophobicContact CB-CG2 4.02Å
20S86.2Confident72.1Confident78 Ų7880.1 Ų80.155%0.54543%0.43SS..EExtended strand (participates in β ladder)trans-92.5131.4174.4-174.30000109.8T18 V38 Q39T18-S20 PolarHBondContact O-N 3.49Å; S20-V38 CarbonylContact O-C 3.53Å; S20-V38 VanDerWaalsContact O-CA 3.25Å; S20-V38 WeakPolarHBondContact O-CA 3.49Å; S20-V38 WeakPolarHBondContact O-CG2 3.12Å; S20-Q39 PolarHBondContact N-O 3.38Å; S20-Q39 PolarHBondContact O-N 2.71Å
21Y84.9Confident70.7Confident34 Ų3487.7 Ų87.713%0.13345%0.446CS..EExtended strand (participates in β ladder)trans-116.1118.4178.8-69.6-102000110.6Y9 P19 E37 V38 Q58 A62Y9-Y21 HydrophobicContact CD2-CE2 4.46Å; Y9-Y21 HydrophobicContact CE2-CD2 4.31Å; Y9-Y21 AromaticContact CE2-CE2 3.53Å; Y9-Y21 HydrophobicContact CE2-CE2 3.53Å; Y9-Y21 AromaticContact CZ-CE2 3.72Å; Y9-Y21 WeakPolarHBondContact OH-CD2 3.37Å; Y9-Y21 WeakPolarHBondContact OH-CE2 3.35Å; P19-Y21 HydrophobicContact CB-CE2 3.92Å; P19-Y21 HydrophobicContact CG-CE2 4.11Å; Y21-E37 CarbonylContact C-O 3.6Å; Y21-E37 VanDerWaalsContact CA-O 3.31Å; Y21-E37 WeakPolarHBondContact CA-O 3.48Å; Y21-V38 HydrophobicContact CD1-CB 3.77Å; Y21-V38 HydrophobicContact CD1-CG2 3.83Å; Y21-V38 HydrophobicContact CD2-CG2 3.95Å; Y21-V38 HydrophobicContact CE1-CB 3.73Å; Y21-V38 HydrophobicContact CE1-CG1 4.44Å; Y21-V38 HydrophobicContact CE1-CG2 3.58Å; Y21-V38 HydrophobicContact CE2-CG2 3.7Å; Y21-V38 HydrophobicContact CG-CB 4.28Å; Y21-V38 HydrophobicContact CG-CG2 4.01Å; Y21-Q58 HydrophobicContact CD1-CB 4.29Å; Y21-Q58 HydrophobicContact CD1-CG 4.21Å; Y21-Q58 HydrophobicContact CE1-CB 4.43Å; Y21-A62 HydrophobicContact CE1-CB 4.25Å; Y21-A62 WeakPolarHBondContact OH-CB 3.49Å
22E77.8Confident69.2Low81 Ų8191.1 Ų91.138%0.37946%0.463SS..EExtended strand (participates in β ladder)trans-99.4136.1169.7-149.6-167.3133.100109.1R24 C36 E37 R809E22-R24 IonicContact OE1-CZ 3.17Å; E22-R24 IonicContact OE1-NE 3.61Å; E22-R24 PolarHBondContact OE1-NE 3.02Å; E22-R24 IonicContact OE1-NH2 3.21Å; E22-R24 PolarHBondContact OE1-NH2 3.44Å; E22-R24 IonicContact OE2-CZ 2.77Å; E22-R24 IonicContact OE2-NH2 3.37Å; E22-R24 PolarHBondContact OE2-NH2 2.91Å; E22-C36 CarbonylContact O-C 3.57Å; E22-C36 VanDerWaalsContact O-CA 3.23Å; E22-C36 WeakPolarHBondContact O-CA 3.32Å; E22-C36 PolarHBondContact O-SG 3.41Å; E22-E37 HydrophobicContact CB-CB 4.39Å; E22-E37 PolarHBondContact N-O 3.17Å; E22-E37 PolarHBondContact O-N 3.07Å; E22-R809 IonicContact OE2-NH2 3.47Å
23I78.6Confident68.7Low61 Ų6193.9 Ų93.931%0.31348%0.475SS..EExtended strand (participates in β ladder)trans-124.5130.1175.9-50.2176.7000109.6F34 M35 C36 K54 Q58I23-F34 HydrophobicContact CG2-CB 4.22Å; I23-F34 HydrophobicContact CG2-CD1 4.45Å; I23-M35 CarbonylContact C-O 3.58Å; I23-M35 WeakPolarHBondContact CA-O 3.46Å; I23-C36 HydrophobicContact CG1-CB 4.3Å; I23-K54 HydrophobicContact CD1-CB 4.41Å; I23-K54 HydrophobicContact CG2-CG 4.41Å; I23-Q58 HydrophobicContact CD1-CG 3.78Å; I23-Q58 HydrophobicContact CG1-CG 4.21Å
24R72.9Confident68.4Low81 Ų8193 Ų9331%0.30646%0.458SS..EExtended strand (participates in β ladder)trans-122.7143.5173.1-52.8-173.2-164.5118.616.8109.8E22 F34 M35 E37 R809E22-R24 IonicContact OE1-CZ 3.17Å; E22-R24 IonicContact OE1-NE 3.61Å; E22-R24 PolarHBondContact OE1-NE 3.02Å; E22-R24 IonicContact OE1-NH2 3.21Å; E22-R24 PolarHBondContact OE1-NH2 3.44Å; E22-R24 IonicContact OE2-CZ 2.77Å; E22-R24 IonicContact OE2-NH2 3.37Å; E22-R24 PolarHBondContact OE2-NH2 2.91Å; R24-F34 WeakPolarHBondContact O-CA 3.46Å; R24-M35 PolarHBondContact N-O 3.23Å; R24-M35 PolarHBondContact O-N 2.99Å; R24-E37 IonicContact CZ-OE1 2.72Å; R24-E37 IonicContact CZ-OE2 3.79Å; R24-E37 IonicContact NH1-OE1 2.69Å; R24-E37 PolarHBondContact NH1-OE1 3.34Å; R24-E37 IonicContact NH1-OE2 2.78Å; R24-E37 IonicContact NH2-OE1 3.78Å; R24-E37 PolarHBondContact NH2-OE1 3.12Å; R24-E37 IonicContact NH2-OE2 2.72Å; R24-E37 PolarHBondContact NH2-OE2 2.99Å; R24-R809 VanDerWaalsContact NH2-NH2 3.18Å
25A61.3Low67.9Low63 Ų6385.8 Ų85.852%0.52143%0.427SS..EExtended strand (participates in β ladder)trans-83.7141.3170.100000109.5F34A25-F34 HydrophobicContact CB-CD1 4.09Å; A25-F34 HydrophobicContact CB-CE1 4Å
26V52.3Low67.8Low65 Ų6580.8 Ų80.839%0.39441%0.408SS..EExtended strand (participates in β ladder)trans-140.5129.6-174.3-171.60000109.6K33 M35V26-K33 PolarHBondContact N-O 2.93Å; V26-K33 PolarHBondContact O-N 3.42Å; V26-M35 HydrophobicContact CG2-CB 3.73Å; V26-M35 HydrophobicContact CG2-CE 4.43Å; V26-M35 HydrophobicContact CG2-SD 4.44Å
27G43.9Very low67.8Low38 Ų3872.3 Ų72.339%0.39237%0.372SS..SBendtrans100156.1178.200000114.9
28N41.5Very low67.9Low91 Ų9170.9 Ų70.949%0.48736%0.364SS..  trans-59.5158.6-179.2-76.9-8.3000112.7N30 R31 Q32 N966N28-N30 PolarHBondContact O-N 3.22Å; N28-R31 CarbonylContact O-C 3.59Å; N28-R31 VanDerWaalsContact O-C 3.24Å; N28-R31 PolarHBondContact O-N 3.14Å; N28-Q32 PolarHBondContact O-N 3.19Å; N28-Q32 VanDerWaalsContact O-N 3.09Å; N28-N966 PolarHBondContact OD1-OD1 3.26Å
29K43.8Very low68.1Low169 Ų16970.1 Ų70.174%0.73535%0.354SS*.G310 helixtrans-48.1-31.4179.3-71.3173.1-177.3156.20114.6E971K29-E971 IonicContact NZ-OE1 2.57Å; K29-E971 PolarHBondContact NZ-OE1 2.79Å
30N37.9Very low68.1Low159 Ų15970 Ų7085%0.8535%0.353SS*.G310 helixtrans-85.2-7.6-179.4-63.3-5.9000114.4N28N28-N30 PolarHBondContact O-N 3.22Å
31R53Low67.5Low217 Ų21773.3 Ų73.382%0.81936%0.36SS*.G310 helixtrans-147.547176.7-72-171172.5177.8-4111N28 K33N28-R31 CarbonylContact O-C 3.59Å; N28-R31 VanDerWaalsContact O-C 3.24Å; N28-R31 PolarHBondContact O-N 3.14Å; R31-K33 PolarHBondContact O-N 3.46Å
32Q55.4Low66.9Low98 Ų9875.2 Ų75.246%0.45839%0.39SS..  trans-68.6123.3-177-175.517062.600111.1N28 F34N28-Q32 PolarHBondContact O-N 3.19Å; N28-Q32 VanDerWaalsContact O-N 3.09Å; Q32-F34 HydrophobicContact CG-CZ 4.43Å
33K73.3Confident66.7Low59 Ų5973.5 Ų73.526%0.25738%0.38SS..EExtended strand (participates in β ladder)trans-113.2161.5169-61.9-168.4-177.9-167.10110.2V26 R31 S51 T52 D348V26-K33 PolarHBondContact N-O 2.93Å; V26-K33 PolarHBondContact O-N 3.42Å; R31-K33 PolarHBondContact O-N 3.46Å; K33-S51 CarbonylContact C-O 3.16Å; K33-S51 WeakPolarHBondContact CA-O 3.43Å; K33-T52 HydrophobicContact CG-CG2 4.47Å; K33-D348 WeakPolarHBondContact CE-OD2 3.3Å; K33-D348 IonicContact NZ-OD2 2.66Å; K33-D348 PolarHBondContact NZ-OD2 2.77Å
34F73.1Confident66.1Low30 Ų3077.4 Ų77.413%0.13240%0.402CS..EExtended strand (participates in β ladder)trans-113.6129.4169-60.9-77.1000108.5I23 R24 A25 Q32 N50 S51 T52 K54 A57I23-F34 HydrophobicContact CG2-CB 4.22Å; I23-F34 HydrophobicContact CG2-CD1 4.45Å; R24-F34 WeakPolarHBondContact O-CA 3.46Å; A25-F34 HydrophobicContact CB-CD1 4.09Å; A25-F34 HydrophobicContact CB-CE1 4Å; Q32-F34 HydrophobicContact CG-CZ 4.43Å; F34-N50 CarbonylContact O-C 3.56Å; F34-N50 WeakPolarHBondContact O-CA 3.48Å; F34-N50 WeakPolarHBondContact O-CB 3.32Å; F34-S51 PolarHBondContact N-O 3.23Å; F34-S51 PolarHBondContact O-N 2.71Å; F34-T52 WeakPolarHBondContact CD2-O 3.44Å; F34-T52 WeakPolarHBondContact CE2-O 3.38Å; F34-K54 HydrophobicContact CB-CG 4.11Å; F34-K54 HydrophobicContact CD1-CD 4.2Å; F34-K54 HydrophobicContact CD1-CG 3.47Å; F34-K54 VanDerWaalsContact CD1-CG 3.47Å; F34-K54 HydrophobicContact CD2-CG 3.74Å; F34-K54 HydrophobicContact CE1-CD 4.16Å; F34-K54 HydrophobicContact CE1-CG 3.76Å; F34-K54 HydrophobicContact CE2-CG 4Å; F34-K54 HydrophobicContact CG-CB 4.37Å; F34-K54 HydrophobicContact CG-CG 3.45Å; F34-K54 VanDerWaalsContact CG-CG 3.45Å; F34-K54 HydrophobicContact CZ-CG 4.01Å; F34-A57 HydrophobicContact CB-CB 4.16Å; F34-A57 VanDerWaalsContact O-CB 3.28Å; F34-A57 WeakPolarHBondContact O-CB 3.39Å
35M74.9Confident66.2Low31 Ų3173.8 Ų73.815%0.15339%0.389CS..EExtended strand (participates in β ladder)trans-105.4134.5172.7-177178.9-77.200108I23 R24 V26 M48 N50I23-M35 CarbonylContact C-O 3.58Å; I23-M35 WeakPolarHBondContact CA-O 3.46Å; R24-M35 PolarHBondContact N-O 3.23Å; R24-M35 PolarHBondContact O-N 2.99Å; V26-M35 HydrophobicContact CG2-CB 3.73Å; V26-M35 HydrophobicContact CG2-CE 4.43Å; V26-M35 HydrophobicContact CG2-SD 4.44Å; M35-M48 HydrophobicContact CE-CE 4.28Å; M35-M48 HydrophobicContact CG-CE 3.55Å; M35-M48 HydrophobicContact SD-CE 3.34Å; M35-M48 WeakPolarHBondContact SD-CE 3.47Å; M35-N50 HydrophobicContact CB-CB 4.25Å
36C81.1Confident67Low0 Ų071.6 Ų71.60%037%0.368CS..EExtended strand (participates in β ladder)trans-124.9133.7178.1-172.50000110.3E22 I23 M48 G49 A57 Q58 A61E22-C36 CarbonylContact O-C 3.57Å; E22-C36 VanDerWaalsContact O-CA 3.23Å; E22-C36 WeakPolarHBondContact O-CA 3.32Å; E22-C36 PolarHBondContact O-SG 3.41Å; I23-C36 HydrophobicContact CG1-CB 4.3Å; C36-M48 WeakPolarHBondContact O-CA 3Å; C36-G49 PolarHBondContact N-O 2.94Å; C36-G49 PolarHBondContact O-N 3.38Å; C36-A57 HydrophobicContact CB-CB 4.06Å; C36-Q58 HydrophobicContact CB-CG 4.43Å; C36-A61 HydrophobicContact CB-CB 4.08Å; C36-A61 WeakPolarHBondContact O-CB 3.25Å
37E82.8Confident68.2Low26 Ų2668.5 Ų68.512%0.12135%0.35CS..EExtended strand (participates in β ladder)trans-105.9135.6170.2-74161.9-15200107.9Y21 E22 R24 T46 G47 M48Y21-E37 CarbonylContact C-O 3.6Å; Y21-E37 VanDerWaalsContact CA-O 3.31Å; Y21-E37 WeakPolarHBondContact CA-O 3.48Å; E22-E37 HydrophobicContact CB-CB 4.39Å; E22-E37 PolarHBondContact N-O 3.17Å; E22-E37 PolarHBondContact O-N 3.07Å; R24-E37 IonicContact CZ-OE1 2.72Å; R24-E37 IonicContact CZ-OE2 3.79Å; R24-E37 IonicContact NH1-OE1 2.69Å; R24-E37 PolarHBondContact NH1-OE1 3.34Å; R24-E37 IonicContact NH1-OE2 2.78Å; R24-E37 IonicContact NH2-OE1 3.78Å; R24-E37 PolarHBondContact NH2-OE1 3.12Å; R24-E37 IonicContact NH2-OE2 2.72Å; R24-E37 PolarHBondContact NH2-OE2 2.99Å; E37-T46 HydrophobicContact CB-CG2 3.79Å; E37-T46 HydrophobicContact CG-CG2 4Å; E37-G47 CarbonylContact C-O 3.58Å; E37-G47 WeakPolarHBondContact CA-O 3.35Å; E37-M48 HydrophobicContact CG-CE 3.97Å; E37-M48 HydrophobicContact CG-CG 3.78Å; E37-M48 HydrophobicContact CG-SD 3.9Å
38V86.1Confident69.7Low0 Ų067.4 Ų67.40%034%0.335CS..EExtended strand (participates in β ladder)trans-121.7130.8169.467.90000110.6L8 P19 S20 Y21 T46 G47 A61 F65L8-V38 HydrophobicContact CD2-CG2 4.29Å; P19-V38 HydrophobicContact CB-CG2 3.95Å; S20-V38 CarbonylContact O-C 3.53Å; S20-V38 VanDerWaalsContact O-CA 3.25Å; S20-V38 WeakPolarHBondContact O-CA 3.49Å; S20-V38 WeakPolarHBondContact O-CG2 3.12Å; Y21-V38 HydrophobicContact CD1-CB 3.77Å; Y21-V38 HydrophobicContact CD1-CG2 3.83Å; Y21-V38 HydrophobicContact CD2-CG2 3.95Å; Y21-V38 HydrophobicContact CE1-CB 3.73Å; Y21-V38 HydrophobicContact CE1-CG1 4.44Å; Y21-V38 HydrophobicContact CE1-CG2 3.58Å; Y21-V38 HydrophobicContact CE2-CG2 3.7Å; Y21-V38 HydrophobicContact CG-CB 4.28Å; Y21-V38 HydrophobicContact CG-CG2 4.01Å; V38-T46 CarbonylContact O-C 3.58Å; V38-T46 WeakPolarHBondContact O-CA 3.41Å; V38-G47 PolarHBondContact N-O 3.04Å; V38-G47 PolarHBondContact O-N 3.49Å; V38-A61 HydrophobicContact CB-CB 4.3Å; V38-A61 HydrophobicContact CG1-CB 4Å; V38-A61 WeakPolarHBondContact CG1-O 3.1Å; V38-F65 HydrophobicContact CG1-CB 3.73Å; V38-F65 HydrophobicContact CG1-CD2 4.01Å; V38-F65 HydrophobicContact CG1-CG 4.19Å
39Q84.4Confident71.3Confident86 Ų8663.1 Ų63.140%0.40231%0.312SS..EExtended strand (participates in β ladder)trans-122.9142.2179-64.8-173-29.200110P19 S20 T46P19-Q39 CarbonylContact C-O 3.5Å; P19-Q39 WeakPolarHBondContact CA-O 3.25Å; S20-Q39 PolarHBondContact N-O 3.38Å; S20-Q39 PolarHBondContact O-N 2.71Å; Q39-T46 HydrophobicContact CG-CG2 3.79Å; Q39-T46 WeakPolarHBondContact CG-OG1 3.47Å; Q39-T46 PolarHBondContact NE2-OG1 2.92Å
40V84.3Confident72.7Confident4 Ų455.4 Ų55.42%0.02428%0.279CS..EExtended strand (participates in β ladder)trans-124.2128.9173.9-175.50000108M17 P19 G42 Y43 F65M17-V40 HydrophobicContact CB-CG1 3.97Å; M17-V40 HydrophobicContact CE-CG1 4.1Å; M17-V40 HydrophobicContact SD-CG1 3.88Å; P19-V40 HydrophobicContact CB-CG2 4.02Å; V40-G42 PolarHBondContact O-N 3.03Å; V40-Y43 HydrophobicContact CB-CD2 4.34Å; V40-Y43 HydrophobicContact CG1-CD2 4.23Å; V40-Y43 PolarHBondContact O-N 3.46Å; V40-F65 HydrophobicContact CB-CE1 3.93Å; V40-F65 HydrophobicContact CB-CE2 4.12Å; V40-F65 HydrophobicContact CB-CZ 3.51Å; V40-F65 HydrophobicContact CG2-CD1 4.02Å; V40-F65 HydrophobicContact CG2-CD2 4.32Å; V40-F65 HydrophobicContact CG2-CE1 3.5Å; V40-F65 HydrophobicContact CG2-CE2 3.83Å; V40-F65 HydrophobicContact CG2-CG 4.43Å; V40-F65 HydrophobicContact CG2-CZ 3.42Å; V40-F65 VanDerWaalsContact CG2-CZ 3.42Å
41E73.9Confident74.6Confident146 Ų14648.4 Ų48.468%0.68224%0.243SC*.THydrogen-bonded Turntrans-53.3135178.6-168.8174.6-17500111.4
42G71.6Confident75.6Confident75 Ų7542.8 Ų42.877%0.77323%0.233SC*.THydrogen-bonded Turntrans88.3-3.5-177.500000116.1V40V40-G42 PolarHBondContact O-N 3.03Å
43Y75.3Confident76.6Confident44 Ų4441.4 Ų41.417%0.17323%0.228CC..  trans-120.7135.5175.8-64.8-91000112W11 M17 V40 Y45 F65 Y68 L69 I72W11-Y43 HydrophobicContact CH2-CE2 4.16Å; M17-Y43 HydrophobicContact CE-CE2 3.93Å; M17-Y43 HydrophobicContact SD-CD2 4.5Å; M17-Y43 HydrophobicContact SD-CE2 3.92Å; V40-Y43 HydrophobicContact CB-CD2 4.34Å; V40-Y43 HydrophobicContact CG1-CD2 4.23Å; V40-Y43 PolarHBondContact O-N 3.46Å; Y43-Y45 PolarHBondContact O-N 3.27Å; Y43-F65 HydrophobicContact CG-CZ 4.31Å; Y43-Y68 AromaticContact CD1-CE1 3.78Å; Y43-Y68 HydrophobicContact CD1-CE1 3.78Å; Y43-Y68 HydrophobicContact CG-CE1 4.37Å; Y43-L69 HydrophobicContact CD1-CD2 4.4Å; Y43-L69 HydrophobicContact CE1-CD2 3.98Å; Y43-I72 HydrophobicContact CD1-CD1 4.01Å; Y43-I72 HydrophobicContact CE1-CD1 3.62Å
44N66.1Low77Confident143 Ų14343.9 Ų43.977%0.76524%0.239SC*.SBendtrans-814.9178.7-65.6-13.2000113.6Y534N44-Y534 PolarHBondContact O-OH 3.08Å
45Y74.5Confident77.3Confident6 Ų648.2 Ų48.22%0.02426%0.258CS..  trans-93.2143.6176.9-165.6-109.6000111.3Y43 D64 F65 Y68 R71Y43-Y45 PolarHBondContact O-N 3.27Å; Y45-D64 PolarHBondContact OH-OD1 3.33Å; Y45-D64 PolarHBondContact OH-OD2 3.37Å; Y45-F65 HydrophobicContact CD1-CD2 4.15Å; Y45-F65 HydrophobicContact CD1-CE2 4.38Å; Y45-F65 WeakPolarHBondContact O-CE2 3.4Å; Y45-Y68 VanDerWaalsContact CD1-CB 3.43Å; Y45-Y68 AromaticContact CD1-CD1 3.74Å; Y45-Y68 HydrophobicContact CD1-CD1 3.74Å; Y45-Y68 AromaticContact CD1-CD2 3.98Å; Y45-Y68 HydrophobicContact CD1-CD2 3.98Å; Y45-Y68 AromaticContact CD1-CG 3.43Å; Y45-Y68 HydrophobicContact CD1-CG 3.43Å; Y45-Y68 VanDerWaalsContact CD1-CG 3.43Å; Y45-Y68 AromaticContact CD2-CD2 3.76Å; Y45-Y68 HydrophobicContact CD2-CD2 3.76Å; Y45-Y68 HydrophobicContact CD2-CE2 4.14Å; Y45-Y68 HydrophobicContact CD2-CG 4.1Å; Y45-Y68 VanDerWaalsContact CE1-CB 3.42Å; Y45-Y68 HydrophobicContact CE1-CD2 4.41Å; Y45-Y68 AromaticContact CE1-CG 3.92Å; Y45-Y68 HydrophobicContact CE1-CG 3.92Å; Y45-Y68 HydrophobicContact CE2-CD2 4.23Å; Y45-Y68 AromaticContact CG-CD1 3.82Å; Y45-Y68 HydrophobicContact CG-CD1 3.82Å; Y45-Y68 AromaticContact CG-CD2 3.61Å; Y45-Y68 HydrophobicContact CG-CD2 3.61Å; Y45-Y68 HydrophobicContact CG-CE1 4.18Å; Y45-Y68 AromaticContact CG-CE2 4Å; Y45-Y68 HydrophobicContact CG-CE2 4Å; Y45-Y68 AromaticContact CG-CG 3.51Å; Y45-Y68 HydrophobicContact CG-CG 3.51Å; Y45-R71 PolarHBondContact OH-NH2 2.89Å
46T77.8Confident77.5Confident16 Ų1650.1 Ų50.110%0.09827%0.268CS..EExtended strand (participates in β ladder)trans-118.4112.6167.8-61.50000107.7E37 V38 Q39 M48 R503E37-T46 HydrophobicContact CB-CG2 3.79Å; E37-T46 HydrophobicContact CG-CG2 4Å; V38-T46 CarbonylContact O-C 3.58Å; V38-T46 WeakPolarHBondContact O-CA 3.41Å; Q39-T46 HydrophobicContact CG-CG2 3.79Å; Q39-T46 WeakPolarHBondContact CG-OG1 3.47Å; Q39-T46 PolarHBondContact NE2-OG1 2.92Å; T46-M48 HydrophobicContact CG2-CG 4.44Å; T46-R503 PolarHBondContact O-NH2 2.84Å
47G77.4Confident77.2Confident0 Ų050.1 Ų50.10%027%0.268CS..EExtended strand (participates in β ladder)trans-70.7138176.100000109.6E37 V38 D64E37-G47 CarbonylContact C-O 3.58Å; E37-G47 WeakPolarHBondContact CA-O 3.35Å; V38-G47 PolarHBondContact N-O 3.04Å; V38-G47 PolarHBondContact O-N 3.49Å; G47-D64 VanDerWaalsContact CA-OD2 3.29Å; G47-D64 WeakPolarHBondContact CA-OD2 3.34Å
48M75.4Confident77.2Confident15 Ų1550.6 Ų50.67%0.07427%0.271CS..EExtended strand (participates in β ladder)trans-129.9146.4-179.3-77.2-171.471.100112.8M35 C36 E37 T46 A61 D64 R503M35-M48 HydrophobicContact CE-CE 4.28Å; M35-M48 HydrophobicContact CG-CE 3.55Å; M35-M48 HydrophobicContact SD-CE 3.34Å; M35-M48 WeakPolarHBondContact SD-CE 3.47Å; C36-M48 WeakPolarHBondContact O-CA 3Å; E37-M48 HydrophobicContact CG-CE 3.97Å; E37-M48 HydrophobicContact CG-CG 3.78Å; E37-M48 HydrophobicContact CG-SD 3.9Å; T46-M48 HydrophobicContact CG2-CG 4.44Å; M48-A61 VanDerWaalsContact C-CA 3.49Å; M48-D64 PolarHBondContact N-OD2 2.96Å; M48-D64 WeakPolarHBondContact O-CB 3.39Å; M48-R503 PolarHBondContact SD-NH1 3.36Å; M48-R503 PolarHBondContact SD-NH2 2.92Å
49G75.1Confident77Confident2 Ų251.1 Ų51.12%0.02128%0.275CS..EExtended strand (participates in β ladder)trans-153.6140.617400000110.4C36C36-G49 PolarHBondContact N-O 2.94Å; C36-G49 PolarHBondContact O-N 3.38Å
50N73.6Confident76.7Confident7 Ų748.8 Ų48.84%0.03727%0.265CS..EExtended strand (participates in β ladder)trans-124.4164.6168.170.523.5000112F34 M35 N60 S345 N346F34-N50 CarbonylContact O-C 3.56Å; F34-N50 WeakPolarHBondContact O-CA 3.48Å; F34-N50 WeakPolarHBondContact O-CB 3.32Å; M35-N50 HydrophobicContact CB-CB 4.25Å; N50-N60 PolarHBondContact O-ND2 3.11Å; N50-S345 VanDerWaalsContact ND2-CA 3.33Å; N50-S345 WeakPolarHBondContact ND2-CA 3.34Å; N50-S345 VanDerWaalsContact ND2-CB 3.34Å; N50-S345 WeakPolarHBondContact ND2-CB 3.22Å; N50-N346 PolarHBondContact N-OD1 3.43Å; N50-N346 VanDerWaalsContact N-OD1 3.07Å; N50-N346 WeakPolarHBondContact OD1-CB 3.41Å; N50-N346 PolarHBondContact OD1-N 2.91Å; N50-N346 VanDerWaalsContact OD1-N 3.08Å; N50-N346 PolarHBondContact OD1-OD1 2.7Å; N50-N346 VanDerWaalsContact OD1-OD1 3.06Å
51S76.8Confident76.5Confident12 Ų1248.6 Ų48.68%0.08426%0.263CS..EExtended strand (participates in β ladder)trans-170.3165.6179.1177.80000108.8K33 F34 N53 D56K33-S51 CarbonylContact C-O 3.16Å; K33-S51 WeakPolarHBondContact CA-O 3.43Å; F34-S51 PolarHBondContact N-O 3.23Å; F34-S51 PolarHBondContact O-N 2.71Å; S51-N53 PolarHBondContact O-N 3.18Å; S51-N53 PolarHBondContact OG-N 3.29Å; S51-D56 WeakPolarHBondContact OG-CB 3.37Å
52T74.6Confident77Confident99 Ų9941.6 Ų41.661%0.60723%0.231SC*.SBendtrans-65.9-11.7165.4520000113.2K33 F34K33-T52 HydrophobicContact CG-CG2 4.47Å; F34-T52 WeakPolarHBondContact CD2-O 3.44Å; F34-T52 WeakPolarHBondContact CE2-O 3.38Å
53N77.3Confident77.5Confident68 Ų6842.3 Ų42.336%0.36421%0.21SC..SBendtrans-120.7135179.117710.1000112.3S51 K55 D56 A57S51-N53 PolarHBondContact O-N 3.18Å; S51-N53 PolarHBondContact OG-N 3.29Å; N53-K55 VanDerWaalsContact C-N 3.3Å; N53-K55 PolarHBondContact O-N 3.39Å; N53-K55 PolarHBondContact OD1-N 3.29Å; N53-K55 VanDerWaalsContact OD1-N 3.1Å; N53-D56 HydrophobicContact CB-CB 4.27Å; N53-D56 VanDerWaalsContact CB-OD2 3.31Å; N53-D56 WeakPolarHBondContact CB-OD2 3.49Å; N53-D56 PolarHBondContact ND2-OD2 3.23Å; N53-D56 PolarHBondContact O-N 2.94Å; N53-A57 WeakPolarHBondContact O-CB 3.34Å; N53-A57 PolarHBondContact O-N 3.4Å
54K80.4Confident77.6Confident112 Ų11240.7 Ų40.749%0.48720%0.204SC..Hα-helixtrans-55.4-40176.2-70.5-174.5179.5-178.20113.4I23 F34 Q58I23-K54 HydrophobicContact CD1-CB 4.41Å; I23-K54 HydrophobicContact CG2-CG 4.41Å; F34-K54 HydrophobicContact CB-CG 4.11Å; F34-K54 HydrophobicContact CD1-CD 4.2Å; F34-K54 HydrophobicContact CD1-CG 3.47Å; F34-K54 VanDerWaalsContact CD1-CG 3.47Å; F34-K54 HydrophobicContact CD2-CG 3.74Å; F34-K54 HydrophobicContact CE1-CD 4.16Å; F34-K54 HydrophobicContact CE1-CG 3.76Å; F34-K54 HydrophobicContact CE2-CG 4Å; F34-K54 HydrophobicContact CG-CB 4.37Å; F34-K54 HydrophobicContact CG-CG 3.45Å; F34-K54 VanDerWaalsContact CG-CG 3.45Å; F34-K54 HydrophobicContact CZ-CG 4.01Å; K54-Q58 WeakPolarHBondContact O-CG 3.39Å; K54-Q58 PolarHBondContact O-N 3.47Å; K54-Q58 VanDerWaalsContact O-N 3.16Å
55K79.5Confident78.5Confident120 Ų12033.9 Ų33.952%0.52217%0.168SC..Hα-helixtrans-67.7-44.8-177.8-171.7-174.5176.3-169.60110.9N53 Q58 S59N53-K55 VanDerWaalsContact C-N 3.3Å; N53-K55 PolarHBondContact O-N 3.39Å; N53-K55 PolarHBondContact OD1-N 3.29Å; N53-K55 VanDerWaalsContact OD1-N 3.1Å; K55-Q58 WeakPolarHBondContact O-CB 3.39Å; K55-Q58 PolarHBondContact O-N 3.02Å; K55-S59 PolarHBondContact O-N 3.2Å
56D78.4Confident78.9Confident71 Ų7133.6 Ų33.638%0.3817%0.167SC..Hα-helixtrans-72.6-34.8-177.2-56-34.4000110.8S51 N53 Q58 S59 N60S51-D56 WeakPolarHBondContact OG-CB 3.37Å; N53-D56 HydrophobicContact CB-CB 4.27Å; N53-D56 VanDerWaalsContact CB-OD2 3.31Å; N53-D56 WeakPolarHBondContact CB-OD2 3.49Å; N53-D56 PolarHBondContact ND2-OD2 3.23Å; N53-D56 PolarHBondContact O-N 2.94Å; D56-Q58 VanDerWaalsContact C-N 3.34Å; D56-Q58 PolarHBondContact O-N 2.71Å; D56-S59 PolarHBondContact O-N 3.18Å; D56-N60 VanDerWaalsContact O-CB 3.28Å; D56-N60 WeakPolarHBondContact O-CB 3.08Å; D56-N60 PolarHBondContact O-N 2.87Å; D56-N60 PolarHBondContact O-OD1 2.76Å
57A76.3Confident78.8Confident0 Ų035.9 Ų35.90%018%0.179CC..Hα-helixtrans-57.6-43.6168.600000112.3F34 C36 N53 N60 A61F34-A57 HydrophobicContact CB-CB 4.16Å; F34-A57 VanDerWaalsContact O-CB 3.28Å; F34-A57 WeakPolarHBondContact O-CB 3.39Å; C36-A57 HydrophobicContact CB-CB 4.06Å; N53-A57 WeakPolarHBondContact O-CB 3.34Å; N53-A57 PolarHBondContact O-N 3.4Å; A57-N60 PolarHBondContact O-N 2.97Å; A57-A61 WeakPolarHBondContact O-CB 3.22Å; A57-A61 PolarHBondContact O-N 2.98Å
58Q82.8Confident78.9Confident37 Ų3738 Ų3817%0.17319%0.187CC..Hα-helixtrans-64.4-44.6174.3-74.1-175.7-40.300112.9K5 Y21 I23 C36 K54 K55 D56 N60 A61 A62K5-Q58 HydrophobicContact CD-CB 4.38Å; Y21-Q58 HydrophobicContact CD1-CB 4.29Å; Y21-Q58 HydrophobicContact CD1-CG 4.21Å; Y21-Q58 HydrophobicContact CE1-CB 4.43Å; I23-Q58 HydrophobicContact CD1-CG 3.78Å; I23-Q58 HydrophobicContact CG1-CG 4.21Å; C36-Q58 HydrophobicContact CB-CG 4.43Å; K54-Q58 WeakPolarHBondContact O-CG 3.39Å; K54-Q58 PolarHBondContact O-N 3.47Å; K54-Q58 VanDerWaalsContact O-N 3.16Å; K55-Q58 WeakPolarHBondContact O-CB 3.39Å; K55-Q58 PolarHBondContact O-N 3.02Å; D56-Q58 VanDerWaalsContact C-N 3.34Å; D56-Q58 PolarHBondContact O-N 2.71Å; Q58-N60 VanDerWaalsContact C-N 3.29Å; Q58-N60 PolarHBondContact O-N 2.86Å; Q58-A61 PolarHBondContact O-N 3.44Å; Q58-A62 WeakPolarHBondContact O-CB 2.92Å; Q58-A62 PolarHBondContact O-N 2.83Å
59S82Confident79.3Confident11 Ų1137.2 Ų37.28%0.07718%0.183CC..Hα-helixtrans-68.8-29.5178.2-66.10000112D3 K55 D56 R63D3-S59 PolarHBondContact OD1-OG 3.36Å; K55-S59 PolarHBondContact O-N 3.2Å; D56-S59 PolarHBondContact O-N 3.18Å; S59-R63 WeakPolarHBondContact O-CB 3.46Å; S59-R63 PolarHBondContact O-N 3.35Å
60N76.8Confident79.5Confident36 Ų3638.8 Ų38.819%0.19319%0.192CC..Hα-helixtrans-67.4-45.7170.5-71.3-7.6000111.3N50 D56 A57 Q58 A62 R63 D64N50-N60 PolarHBondContact O-ND2 3.11Å; D56-N60 VanDerWaalsContact O-CB 3.28Å; D56-N60 WeakPolarHBondContact O-CB 3.08Å; D56-N60 PolarHBondContact O-N 2.87Å; D56-N60 PolarHBondContact O-OD1 2.76Å; A57-N60 PolarHBondContact O-N 2.97Å; Q58-N60 VanDerWaalsContact C-N 3.29Å; Q58-N60 PolarHBondContact O-N 2.86Å; N60-A62 PolarHBondContact O-N 2.86Å; N60-R63 WeakPolarHBondContact O-CB 3.39Å; N60-R63 PolarHBondContact O-N 3.38Å; N60-R63 VanDerWaalsContact O-N 3.12Å; N60-R63 PolarHBondContact OD1-NH1 2.72Å; N60-D64 PolarHBondContact O-N 3.45Å
61A81.3Confident79.6Confident0 Ų043.3 Ų43.30%021%0.209CC..Hα-helixtrans-62.2-42.5176.100000112.3C36 V38 M48 A57 Q58 R63 D64 F65C36-A61 HydrophobicContact CB-CB 4.08Å; C36-A61 WeakPolarHBondContact O-CB 3.25Å; V38-A61 HydrophobicContact CB-CB 4.3Å; V38-A61 HydrophobicContact CG1-CB 4Å; V38-A61 WeakPolarHBondContact CG1-O 3.1Å; M48-A61 VanDerWaalsContact C-CA 3.49Å; A57-A61 WeakPolarHBondContact O-CB 3.22Å; A57-A61 PolarHBondContact O-N 2.98Å; Q58-A61 PolarHBondContact O-N 3.44Å; A61-R63 VanDerWaalsContact C-N 3.29Å; A61-R63 PolarHBondContact O-N 3.17Å; A61-D64 PolarHBondContact O-N 3.24Å; A61-F65 PolarHBondContact O-N 2.73Å; A61-F65 VanDerWaalsContact O-N 3.08Å
62A84.1Confident79.7Confident0 Ų045.9 Ų45.90%022%0.221CC..Hα-helixtrans-59.8-39.8173.200000112.1K5 L8 Y21 Q58 N60 F65 V66K5-A62 HydrophobicContact CB-CB 4.23Å; L8-A62 HydrophobicContact CD2-CB 4.15Å; Y21-A62 HydrophobicContact CE1-CB 4.25Å; Y21-A62 WeakPolarHBondContact OH-CB 3.49Å; Q58-A62 WeakPolarHBondContact O-CB 2.92Å; Q58-A62 PolarHBondContact O-N 2.83Å; N60-A62 PolarHBondContact O-N 2.86Å; A62-F65 PolarHBondContact O-N 2.81Å; A62-V66 VanDerWaalsContact O-CG2 3.3Å; A62-V66 WeakPolarHBondContact O-CG2 3.3Å; A62-V66 PolarHBondContact O-N 2.79Å
63R83Confident79.9Confident90 Ų9048.3 Ų48.334%0.3423%0.23SC..Hα-helixtrans-67.6-43.8178.3-166.2-176.5-58.5103-0.2112.2V4 S59 N60 A61 F65 V66 N67V4-R63 HydrophobicContact CG1-CB 4.13Å; V4-R63 HydrophobicContact CG1-CG 4.44Å; S59-R63 WeakPolarHBondContact O-CB 3.46Å; S59-R63 PolarHBondContact O-N 3.35Å; N60-R63 WeakPolarHBondContact O-CB 3.39Å; N60-R63 PolarHBondContact O-N 3.38Å; N60-R63 VanDerWaalsContact O-N 3.12Å; N60-R63 PolarHBondContact OD1-NH1 2.72Å; A61-R63 VanDerWaalsContact C-N 3.29Å; A61-R63 PolarHBondContact O-N 3.17Å; R63-F65 VanDerWaalsContact C-N 3.32Å; R63-F65 PolarHBondContact O-N 3.06Å; R63-V66 PolarHBondContact O-N 2.97Å; R63-N67 WeakPolarHBondContact O-CB 3.4Å; R63-N67 PolarHBondContact O-N 3.33Å; R63-N67 PolarHBondContact O-OD1 3.46Å
64D76.7Confident80.2Confident9 Ų948.5 Ų48.55%0.04823%0.229CC..Hα-helixtrans-60.1-41.9175-177.942.5000111.6Y45 G47 M48 N60 A61 N67 Y68 R71 Q336Y45-D64 PolarHBondContact OH-OD1 3.33Å; Y45-D64 PolarHBondContact OH-OD2 3.37Å; G47-D64 VanDerWaalsContact CA-OD2 3.29Å; G47-D64 WeakPolarHBondContact CA-OD2 3.34Å; M48-D64 PolarHBondContact N-OD2 2.96Å; M48-D64 WeakPolarHBondContact O-CB 3.39Å; N60-D64 PolarHBondContact O-N 3.45Å; A61-D64 PolarHBondContact O-N 3.24Å; D64-N67 PolarHBondContact O-N 3.48Å; D64-Y68 PolarHBondContact O-N 2.88Å; D64-R71 IonicContact OD1-NH2 2.75Å; D64-Q336 PolarHBondContact OD1-NE2 3.32Å; D64-Q336 PolarHBondContact OD1-OE1 3.11Å
65F83.9Confident80.4Confident0 Ų043.5 Ų43.50%021%0.207CC..Hα-helixtrans-65-43.5174.9-156.8-75.4000112.8L8 V38 V40 Y43 Y45 A61 A62 R63 N67 Y68 L69L8-F65 HydrophobicContact CD1-CD1 3.99Å; L8-F65 HydrophobicContact CD2-CB 4.03Å; L8-F65 HydrophobicContact CD2-CD1 4.34Å; L8-F65 HydrophobicContact CD2-CG 4.31Å; V38-F65 HydrophobicContact CG1-CB 3.73Å; V38-F65 HydrophobicContact CG1-CD2 4.01Å; V38-F65 HydrophobicContact CG1-CG 4.19Å; V40-F65 HydrophobicContact CB-CE1 3.93Å; V40-F65 HydrophobicContact CB-CE2 4.12Å; V40-F65 HydrophobicContact CB-CZ 3.51Å; V40-F65 HydrophobicContact CG2-CD1 4.02Å; V40-F65 HydrophobicContact CG2-CD2 4.32Å; V40-F65 HydrophobicContact CG2-CE1 3.5Å; V40-F65 HydrophobicContact CG2-CE2 3.83Å; V40-F65 HydrophobicContact CG2-CG 4.43Å; V40-F65 HydrophobicContact CG2-CZ 3.42Å; V40-F65 VanDerWaalsContact CG2-CZ 3.42Å; Y43-F65 HydrophobicContact CG-CZ 4.31Å; Y45-F65 HydrophobicContact CD1-CD2 4.15Å; Y45-F65 HydrophobicContact CD1-CE2 4.38Å; Y45-F65 WeakPolarHBondContact O-CE2 3.4Å; A61-F65 PolarHBondContact O-N 2.73Å; A61-F65 VanDerWaalsContact O-N 3.08Å; A62-F65 PolarHBondContact O-N 2.81Å; R63-F65 VanDerWaalsContact C-N 3.32Å; R63-F65 PolarHBondContact O-N 3.06Å; F65-N67 VanDerWaalsContact C-N 3.33Å; F65-N67 PolarHBondContact O-N 3.46Å; F65-Y68 HydrophobicContact CE1-CD1 4.39Å; F65-Y68 HydrophobicContact CZ-CD1 4.43Å; F65-Y68 WeakPolarHBondContact O-CB 3.29Å; F65-Y68 PolarHBondContact O-N 2.67Å; F65-Y68 VanDerWaalsContact O-N 3.16Å; F65-L69 HydrophobicContact CD1-CD1 3.88Å; F65-L69 HydrophobicContact CD1-CG 3.93Å; F65-L69 HydrophobicContact CE1-CD1 3.91Å; F65-L69 HydrophobicContact CE1-CD2 3.94Å; F65-L69 HydrophobicContact CE1-CG 3.83Å; F65-L69 WeakPolarHBondContact O-CG 3.33Å; F65-L69 PolarHBondContact O-N 3.48Å
66V83.2Confident80.2Confident0 Ų044 Ų440%021%0.21CC..Hα-helixtrans-63.5-39.7175.3170.40000111V4 F7 L8 A62 R63 Y68 L69 V70 V80V4-V66 HydrophobicContact CG1-CG2 4.21Å; F7-V66 HydrophobicContact CD1-CG1 4.35Å; F7-V66 HydrophobicContact CD1-CG2 4.02Å; F7-V66 HydrophobicContact CE1-CG1 3.98Å; F7-V66 HydrophobicContact CE1-CG2 4.25Å; L8-V66 HydrophobicContact CB-CG2 4.06Å; L8-V66 HydrophobicContact CD1-CG2 4.07Å; L8-V66 HydrophobicContact CG-CG2 4.47Å; A62-V66 VanDerWaalsContact O-CG2 3.3Å; A62-V66 WeakPolarHBondContact O-CG2 3.3Å; A62-V66 PolarHBondContact O-N 2.79Å; R63-V66 PolarHBondContact O-N 2.97Å; V66-Y68 VanDerWaalsContact C-N 3.28Å; V66-Y68 PolarHBondContact O-N 2.73Å; V66-L69 PolarHBondContact O-N 2.99Å; V66-L69 VanDerWaalsContact O-N 3.15Å; V66-V70 WeakPolarHBondContact O-CG2 3.21Å; V66-V70 PolarHBondContact O-N 3.25Å; V66-V80 HydrophobicContact CG1-CB 4.46Å; V66-V80 HydrophobicContact CG1-CG1 3.91Å; V66-V80 HydrophobicContact CG1-CG2 3.66Å
67N75.6Confident79.7Confident65 Ų6544.7 Ų44.735%0.34822%0.22SC..Hα-helixtrans-64.4-31.2174.1-70.4-7.6000112.3R63 D64 F65 R71R63-N67 WeakPolarHBondContact O-CB 3.4Å; R63-N67 PolarHBondContact O-N 3.33Å; R63-N67 PolarHBondContact O-OD1 3.46Å; D64-N67 PolarHBondContact O-N 3.48Å; F65-N67 VanDerWaalsContact C-N 3.33Å; F65-N67 PolarHBondContact O-N 3.46Å; N67-R71 WeakPolarHBondContact O-CG 3.42Å; N67-R71 PolarHBondContact O-N 3.06Å; N67-R71 VanDerWaalsContact O-N 3.16Å; N67-R71 PolarHBondContact O-NE 2.85Å
68Y80.9Confident79.5Confident43 Ų4352.8 Ų52.817%0.16926%0.258CS..Hα-helixtrans-67-46.5168.8164.8-100.2000112Y43 Y45 D64 F65 V66 V70 R71 I72Y43-Y68 AromaticContact CD1-CE1 3.78Å; Y43-Y68 HydrophobicContact CD1-CE1 3.78Å; Y43-Y68 HydrophobicContact CG-CE1 4.37Å; Y45-Y68 VanDerWaalsContact CD1-CB 3.43Å; Y45-Y68 AromaticContact CD1-CD1 3.74Å; Y45-Y68 HydrophobicContact CD1-CD1 3.74Å; Y45-Y68 AromaticContact CD1-CD2 3.98Å; Y45-Y68 HydrophobicContact CD1-CD2 3.98Å; Y45-Y68 AromaticContact CD1-CG 3.43Å; Y45-Y68 HydrophobicContact CD1-CG 3.43Å; Y45-Y68 VanDerWaalsContact CD1-CG 3.43Å; Y45-Y68 AromaticContact CD2-CD2 3.76Å; Y45-Y68 HydrophobicContact CD2-CD2 3.76Å; Y45-Y68 HydrophobicContact CD2-CE2 4.14Å; Y45-Y68 HydrophobicContact CD2-CG 4.1Å; Y45-Y68 VanDerWaalsContact CE1-CB 3.42Å; Y45-Y68 HydrophobicContact CE1-CD2 4.41Å; Y45-Y68 AromaticContact CE1-CG 3.92Å; Y45-Y68 HydrophobicContact CE1-CG 3.92Å; Y45-Y68 HydrophobicContact CE2-CD2 4.23Å; Y45-Y68 AromaticContact CG-CD1 3.82Å; Y45-Y68 HydrophobicContact CG-CD1 3.82Å; Y45-Y68 AromaticContact CG-CD2 3.61Å; Y45-Y68 HydrophobicContact CG-CD2 3.61Å; Y45-Y68 HydrophobicContact CG-CE1 4.18Å; Y45-Y68 AromaticContact CG-CE2 4Å; Y45-Y68 HydrophobicContact CG-CE2 4Å; Y45-Y68 AromaticContact CG-CG 3.51Å; Y45-Y68 HydrophobicContact CG-CG 3.51Å; D64-Y68 PolarHBondContact O-N 2.88Å; F65-Y68 HydrophobicContact CE1-CD1 4.39Å; F65-Y68 HydrophobicContact CZ-CD1 4.43Å; F65-Y68 WeakPolarHBondContact O-CB 3.29Å; F65-Y68 PolarHBondContact O-N 2.67Å; F65-Y68 VanDerWaalsContact O-N 3.16Å; V66-Y68 VanDerWaalsContact C-N 3.28Å; V66-Y68 PolarHBondContact O-N 2.73Å; Y68-V70 PolarHBondContact O-N 3.43Å; Y68-R71 WeakPolarHBondContact O-CB 3.16Å; Y68-R71 PolarHBondContact O-N 3.41Å; Y68-I72 HydrophobicContact CD2-CG2 4.29Å; Y68-I72 HydrophobicContact CE1-CD1 3.81Å; Y68-I72 HydrophobicContact CE2-CG2 3.72Å; Y68-I72 PolarHBondContact O-N 3.33Å; Y68-I72 VanDerWaalsContact O-N 3.08Å
69L82.8Confident79Confident0 Ų056.2 Ų56.20%027%0.274CS..Hα-helixtrans-59.4-34.5176.1-67.3175.6000112.8L8 W11 Y43 F65 V66 I72 N73 E74 I75L8-L69 HydrophobicContact CD1-CD1 4.03Å; W11-L69 HydrophobicContact CD2-CD1 4.04Å; W11-L69 HydrophobicContact CE3-CD1 3.75Å; W11-L69 HydrophobicContact CH2-CD1 3.66Å; W11-L69 HydrophobicContact CH2-CD2 3.56Å; W11-L69 HydrophobicContact CH2-CG 4.26Å; W11-L69 HydrophobicContact CZ2-CD1 3.93Å; W11-L69 HydrophobicContact CZ2-CD2 4.05Å; W11-L69 HydrophobicContact CZ3-CD1 3.56Å; W11-L69 HydrophobicContact CZ3-CD2 4.13Å; Y43-L69 HydrophobicContact CD1-CD2 4.4Å; Y43-L69 HydrophobicContact CE1-CD2 3.98Å; F65-L69 HydrophobicContact CD1-CD1 3.88Å; F65-L69 HydrophobicContact CD1-CG 3.93Å; F65-L69 HydrophobicContact CE1-CD1 3.91Å; F65-L69 HydrophobicContact CE1-CD2 3.94Å; F65-L69 HydrophobicContact CE1-CG 3.83Å; F65-L69 WeakPolarHBondContact O-CG 3.33Å; F65-L69 PolarHBondContact O-N 3.48Å; V66-L69 PolarHBondContact O-N 2.99Å; V66-L69 VanDerWaalsContact O-N 3.15Å; L69-I72 HydrophobicContact CD2-CD1 4.16Å; L69-I72 WeakPolarHBondContact O-CG1 3.48Å; L69-N73 PolarHBondContact O-N 2.77Å; L69-E74 HydrophobicContact CB-CB 4.42Å; L69-E74 HydrophobicContact CD2-CB 4.19Å; L69-E74 PolarHBondContact O-N 2.58Å; L69-I75 HydrophobicContact CB-CB 4.41Å; L69-I75 HydrophobicContact CB-CD1 3.78Å; L69-I75 HydrophobicContact CB-CG1 3.96Å; L69-I75 HydrophobicContact CD1-CD1 3.66Å; L69-I75 HydrophobicContact CD1-CG1 4.44Å; L69-I75 HydrophobicContact CG-CD1 4.38Å; L69-I75 PolarHBondContact O-N 3.08Å
70V79.4Confident78.6Confident35 Ų3557.1 Ų57.121%0.21228%0.279CS..Hα-helixtrans-66.8-45.2172173.90000111.6V66 Y68 I72 N73 I75 V80V66-V70 WeakPolarHBondContact O-CG2 3.21Å; V66-V70 PolarHBondContact O-N 3.25Å; Y68-V70 PolarHBondContact O-N 3.43Å; V70-I72 VanDerWaalsContact C-N 3.3Å; V70-I72 PolarHBondContact O-N 3.3Å; V70-N73 PolarHBondContact O-N 2.71Å; V70-I75 WeakPolarHBondContact CA-O 3.39Å; V70-I75 HydrophobicContact CG2-CB 4.09Å; V70-I75 HydrophobicContact CG2-CG2 4.07Å; V70-V80 HydrophobicContact CG2-CG2 3.81Å
71R75.9Confident78Confident102 Ų10257.4 Ų57.439%0.38528%0.283SS..Hα-helixtrans-59.5-37.2178.6-78.5173.5-76.9178-3.9113Y45 D64 N67 Y68 N73Y45-R71 PolarHBondContact OH-NH2 2.89Å; D64-R71 IonicContact OD1-NH2 2.75Å; N67-R71 WeakPolarHBondContact O-CG 3.42Å; N67-R71 PolarHBondContact O-N 3.06Å; N67-R71 VanDerWaalsContact O-N 3.16Å; N67-R71 PolarHBondContact O-NE 2.85Å; Y68-R71 WeakPolarHBondContact O-CB 3.16Å; Y68-R71 PolarHBondContact O-N 3.41Å; R71-N73 VanDerWaalsContact C-N 3.27Å; R71-N73 PolarHBondContact O-N 2.8Å
72I78.6Confident76.3Confident66 Ų6662.1 Ų62.134%0.33832%0.322SS..THydrogen-bonded Turntrans-86.310.3176.266.9169.4000113.9Y43 Y68 L69 V70 E74Y43-I72 HydrophobicContact CD1-CD1 4.01Å; Y43-I72 HydrophobicContact CE1-CD1 3.62Å; Y68-I72 HydrophobicContact CD2-CG2 4.29Å; Y68-I72 HydrophobicContact CE1-CD1 3.81Å; Y68-I72 HydrophobicContact CE2-CG2 3.72Å; Y68-I72 PolarHBondContact O-N 3.33Å; Y68-I72 VanDerWaalsContact O-N 3.08Å; L69-I72 HydrophobicContact CD2-CD1 4.16Å; L69-I72 WeakPolarHBondContact O-CG1 3.48Å; V70-I72 VanDerWaalsContact C-N 3.3Å; V70-I72 PolarHBondContact O-N 3.3Å; I72-E74 HydrophobicContact CD1-CB 4.18Å; I72-E74 HydrophobicContact CD1-CG 3.62Å; I72-E74 HydrophobicContact CG1-CB 4Å; I72-E74 HydrophobicContact CG1-CG 3.79Å; I72-E74 PolarHBondContact O-N 2.97Å
73N79.6Confident74.3Confident149 Ų14968.4 Ų68.480%0.79735%0.349SS*.THydrogen-bonded Turntrans6022.7-178.6-62-69.5000115.7L69 V70 R71L69-N73 PolarHBondContact O-N 2.77Å; V70-N73 PolarHBondContact O-N 2.71Å; R71-N73 VanDerWaalsContact C-N 3.27Å; R71-N73 PolarHBondContact O-N 2.8Å
74E82.9Confident72Confident73 Ų7367.9 Ų67.934%0.34137%0.372SS..SBendtrans-83-14.8174.5-79.1-73.4-169.700113.3W11 R15 L69 I72W11-E74 HydrophobicContact CZ2-CB 4.24Å; R15-E74 IonicContact CZ-OE2 2.86Å; R15-E74 IonicContact NH1-OE1 2.74Å; R15-E74 PolarHBondContact NH1-OE1 3.42Å; R15-E74 IonicContact NH1-OE2 2.91Å; R15-E74 PolarHBondContact NH1-OE2 3.02Å; R15-E74 IonicContact NH2-OE2 2.65Å; R15-E74 PolarHBondContact NH2-OE2 3.39Å; L69-E74 HydrophobicContact CB-CB 4.42Å; L69-E74 HydrophobicContact CD2-CB 4.19Å; L69-E74 PolarHBondContact O-N 2.58Å; I72-E74 HydrophobicContact CD1-CB 4.18Å; I72-E74 HydrophobicContact CD1-CG 3.62Å; I72-E74 HydrophobicContact CG1-CB 4Å; I72-E74 HydrophobicContact CG1-CG 3.79Å; I72-E74 PolarHBondContact O-N 2.97Å
75I84.5Confident69.8Low7 Ų774.3 Ų74.34%0.03641%0.411CS..SBendtrans-140.7140173.2-62.3-178.5000108.2F7 W11 L69 V70 E79 V80F7-I75 HydrophobicContact CE1-CD1 3.92Å; F7-I75 HydrophobicContact CZ-CD1 4.33Å; F7-I75 HydrophobicContact CZ-CG2 4.24Å; W11-I75 HydrophobicContact CD2-CD1 4.14Å; W11-I75 HydrophobicContact CG-CD1 3.96Å; W11-I75 HydrophobicContact CZ2-CG1 4.45Å; W11-I75 VanDerWaalsContact NE1-CG1 3.32Å; L69-I75 HydrophobicContact CB-CB 4.41Å; L69-I75 HydrophobicContact CB-CD1 3.78Å; L69-I75 HydrophobicContact CB-CG1 3.96Å; L69-I75 HydrophobicContact CD1-CD1 3.66Å; L69-I75 HydrophobicContact CD1-CG1 4.44Å; L69-I75 HydrophobicContact CG-CD1 4.38Å; L69-I75 PolarHBondContact O-N 3.08Å; V70-I75 WeakPolarHBondContact CA-O 3.39Å; V70-I75 HydrophobicContact CG2-CB 4.09Å; V70-I75 HydrophobicContact CG2-CG2 4.07Å; I75-E79 HydrophobicContact CG2-CB 4.21Å; I75-V80 HydrophobicContact CG2-CG2 4.07Å
76K76Confident67.1Low131 Ų13178.8 Ų78.857%0.5745%0.448SS*.  trans-79.2140.5170.4-64.2-178.1178.6-176.10110.5E78 E79K76-E78 PolarHBondContact O-N 3.28Å; K76-E78 VanDerWaalsContact O-N 3.14Å; K76-E79 HydrophobicContact CB-CG 4.15Å; K76-E79 WeakPolarHBondContact O-CB 3.27Å; K76-E79 PolarHBondContact O-N 3.16Å
77S68.4Low64.4Low85 Ų8583.9 Ų83.959%0.59448%0.483SS*.G310 helixtrans-54.2-34.7177.251.10000113.1E79 V80S77-E79 PolarHBondContact O-N 3.48Å; S77-V80 PolarHBondContact O-N 2.76Å
78E72Confident62.2Low169 Ų16986.6 Ų86.679%0.7951%0.505SS*.G310 helixtrans-60.5-23.9174.9-62.3166.8-174.400114.4K76K76-E78 PolarHBondContact O-N 3.28Å; K76-E78 VanDerWaalsContact O-N 3.14Å
79E70.9Confident59.7Low109 Ų10990.1 Ų90.151%0.50953%0.533SS..G310 helixtrans-87.1-9.2-178.3-65174.2-160.200112.7F7 I75 K76 S77F7-E79 VanDerWaalsContact CE2-O 3.23Å; F7-E79 WeakPolarHBondContact CE2-O 3.46Å; I75-E79 HydrophobicContact CG2-CB 4.21Å; K76-E79 HydrophobicContact CB-CG 4.15Å; K76-E79 WeakPolarHBondContact O-CB 3.27Å; K76-E79 PolarHBondContact O-N 3.16Å; S77-E79 PolarHBondContact O-N 3.48Å
80V73.5Confident57Low31 Ų3196.1 Ų96.119%0.18857%0.572CS.*SBendtrans-86.7132.4-177.9-175.40000110.6V66 V70 I75 S77 A82V66-V80 HydrophobicContact CG1-CB 4.46Å; V66-V80 HydrophobicContact CG1-CG1 3.91Å; V66-V80 HydrophobicContact CG1-CG2 3.66Å; V70-V80 HydrophobicContact CG2-CG2 3.81Å; I75-V80 HydrophobicContact CG2-CG2 4.07Å; S77-V80 PolarHBondContact O-N 2.76Å; V80-A82 PolarHBondContact O-N 2.78Å; V80-A82 VanDerWaalsContact O-N 3.11Å
81P65.8Low54.8Low42 Ų42102.6 Ų102.627%0.27360%0.604SS.*  trans-62.2113.2-178.8-2433.9000113.8F7 F83F7-P81 HydrophobicContact CD2-CG 4.41Å; P81-F83 HydrophobicContact CB-CE2 4.43Å; P81-F83 WeakPolarHBondContact O-CD2 3.35Å
82A44.2Very low52.4Low99 Ų99103.5 Ų103.582%0.81862%0.622SS**  trans-73.1143.5172.200000112.1V80V80-A82 PolarHBondContact O-N 2.78Å; V80-A82 VanDerWaalsContact O-N 3.11Å
83F43.4Very low49.8Very low132 Ų132107 Ų10758%0.57964%0.641SS**  trans-114.5131.3175.3-78.9-94.2000110.7V4 P81V4-F83 HydrophobicContact CG2-CE2 3.98Å; P81-F83 HydrophobicContact CB-CE2 4.43Å; P81-F83 WeakPolarHBondContact O-CD2 3.35Å
84G34.6Very low47.7Very low79 Ų79105.7 Ų105.781%0.81464%0.639SS**PPolyproline II helixtrans-79.9144-177.600000113.2
85V30Very low45.4Very low143 Ų143107.1 Ų107.187%0.86765%0.654SS**PPolyproline II helixtrans-72128.9174.2-177.40000109.7
86A26.5Very low42.6Very low94 Ų94113.2 Ų113.278%0.77769%0.687SS**PPolyproline II helixtrans-97.8120170.400000109.9
87S27.1Very low40.2Very low107 Ų107111.8 Ų111.875%0.74869%0.689SS**PPolyproline II helixtrans-70144.2177.1-47.50000111.9
88P30Very low38.2Very low122 Ų122113.7 Ų113.779%0.79270%0.697SS**PPolyproline II helixtrans-80.7143.9178.632.2-34.5000112.9
89P27.1Very low35.9Very low118 Ų118109.2 Ų109.277%0.76669%0.689SS**PPolyproline II helixtrans-82.4165163.434.3-32000111.7
90P27.3Very low33.7Very low125 Ų125111.7 Ų111.781%0.81271%0.706SS**PPolyproline II helixtrans-91.9163.5-148.935.3-38000116.5
91L32.5Very low31.4Very low171 Ų171113.8 Ų113.890%0.89573%0.727SS**PPolyproline II helixtrans-83.8132166.2-77.7161.3000111.7
92T25.2Very low29.4Very low122 Ų122121.3 Ų121.375%0.74876%0.758SS**  trans-160.8149.4151.245.90000106.7
93D24.4Very low28.4Very low139 Ų139119.8 Ų119.874%0.74375%0.752SS**  cis-151.5157.8-15-120.2-33.5000109.6
94T34.5Very low27.4Very low122 Ų122121.5 Ų121.575%0.74877%0.767SS**  trans-57.1169.4159.127.20000111.9
95P36.4Very low27.2Very low103 Ų103125.5 Ų125.567%0.66977%0.769SS**  cis-148.5-164.841.846.5-24000114
96D25.6Very low27Very low134 Ų134124.8 Ų124.872%0.71777%0.768SS**  cis-163.7167.223.3-122-24000106.3
97T25.2Very low26.8Very low101 Ų101124.3 Ų124.362%0.6276%0.764SS**  cis-159.71508-3.30000108.9
98T25Very low26.7Very low125 Ų125125.3 Ų125.377%0.76777%0.765SS**  trans18.3156.8137.162.70000123.1
99A25.4Very low26.3Very low76 Ų76128.4 Ų128.463%0.62877%0.771SS**  cis179.9161.7-18.100000108.8
100N24.7Very low26.1Very low160 Ų160126.6 Ų126.686%0.85677%0.774SS**  trans34.4150.7136.9-60.55.2000122.2
101A25Very low25.9Very low75 Ų75124.2 Ų124.262%0.6277%0.773SS**  cis-176.9174.6-15.400000107.8
102E23.9Very low25.5Very low201 Ų201122.4 Ų122.494%0.93977%0.771SS**  trans65.3148.7164.5-63168.1-170.200116.3
103G23.2Very low25.4Very low67 Ų67124.1 Ų124.169%0.69178%0.775SS**  cis-178.3-165.3-1.100000111.6
104D22.4Very low26Very low168 Ų168122.5 Ų122.590%0.89877%0.772SS**  trans74.8117.6168.6-70.6-12.1000122.1
105L29.1Very low25.8Very low163 Ų163121.9 Ų121.985%0.85377%0.77SS**  trans-71.5161.9147.3-69.8161.4000109.7
106P25.8Very low25.2Very low128 Ų128125.3 Ų125.383%0.83178%0.777SS**  -136.7166112.236.9-27.9000113.8
107A23.6Very low25.1Very low84 Ų84126.5 Ų126.569%0.69478%0.782SS**  trans-111.2173.6-177.600000113.1
108T23.5Very low25Very low128 Ų128125.5 Ų125.579%0.78578%0.784SS**  trans95.3152.9154.2760000120.9
109M22.9Very low24.9Very low186 Ų186127.1 Ų127.192%0.91679%0.787SS**  trans90118.2161.1-61-64.9-171.400120
110G22.2Very low24.9Very low80 Ų80132.8 Ų132.883%0.82580%0.798SS**  trans133.695.4145.900000117.1
111G23.1Very low24.8Very low76 Ų76129.4 Ų129.478%0.78479%0.792SS**  trans-75.9-173.9156.100000112
112P23.9Very low24.9Very low132 Ų132130.9 Ų130.986%0.85779%0.786SS**  cis-143.2175.63743.1-25000117.4
113L24.3Very low24.9Very low158 Ų158128.4 Ų128.483%0.82778%0.779SS**  trans-89.3-178.8155.9-76.1162.3000109.8
114P36.7Very low25Very low105 Ų105130.8 Ų130.868%0.68278%0.776SS**  -115.2-158.4-58.939.3-22.7000108.5
115P31Very low25.1Very low109 Ų109128.7 Ų128.771%0.70878%0.775SS**  -161.2147.272.842.1-19.2000119.9
116H23.4Very low24.8Very low176 Ų176129.5 Ų129.582%0.81577%0.774SS**  trans64.4158.1134.1-86.5-79.4000126.7
117L22.6Very low24.8Very low159 Ų159129.8 Ų129.883%0.83277%0.773SS**  trans78.3107.2167.9-62.1166.1000115.6
118A22.7Very low24.9Very low80 Ų80129.5 Ų129.566%0.66178%0.778SS**  cis84.7127.822.900000117.5
119L24.6Very low25Very low159 Ų159127.9 Ų127.983%0.83278%0.778SS**  trans92.7140145.8-79166.4000122.9
120K24.1Very low25.1Very low194 Ų194125.1 Ų125.184%0.84378%0.777SS**  trans79.7147.4157.7-69.4173.2177.4-176.90118.8
121A23.5Very low25.3Very low89 Ų89124.1 Ų124.174%0.73677%0.767SS**  cis-167.7164.2-19.600000110.7
122E26.1Very low25.4Very low106 Ų106132 Ų13250%0.49578%0.775SS.*  trans-47.1153166.6-60143.7-146.200114.5G1274 Y1275E122-G1274 VanDerWaalsContact OE1-C 3.32Å; E122-G1274 WeakPolarHBondContact OE1-CA 3.25Å; E122-G1274 PolarHBondContact OE1-N 3.48Å; E122-Y1275 PolarHBondContact OE1-N 3.3Å
123N24.3Very low25.5Very low149 Ų149128.9 Ų128.980%0.79777%0.766SS**  -163.2158.2108.7-126.5-42.4000116.3
124N24.3Very low25.5Very low118 Ų118128.3 Ų128.363%0.63177%0.769SS**  trans-64.1158.6178.2-73.2-50.8000115.5
125S24.4Very low25.6Very low124 Ų124129 Ų12987%0.86777%0.774SS**  -157.1142.4128.957.70000111.4
126E24.2Very low25.3Very low179 Ų179127.4 Ų127.484%0.83678%0.776SS**  trans-125.4164.6-167-161.9-170.6-142.900110.9
127V25.6Very low25.7Very low134 Ų134124.1 Ų124.181%0.81277%0.771SS**  trans74.4131.6163.5-165.50000119.4
128G25.3Very low26.4Very low78 Ų78123.2 Ų123.280%0.80477%0.772SS**  trans176.4115.2160.800000112.7
129A25.9Very low26.7Very low95 Ų95130.1 Ų130.179%0.78578%0.781SS**  trans-123.7-178-168.800000114.6
130S25.4Very low27.1Very low127 Ų127130.7 Ų130.789%0.88879%0.785SS**  trans94.5146.1179.177.40000116.5
131G24.7Very low27.9Very low59 Ų59133.2 Ų133.261%0.60879%0.789SS**  cis169.8161.9-7.700000113.1
132Y27Very low28.7Very low243 Ų243132.3 Ų132.395%0.95379%0.788SS**  trans70.7140.8172.3-46.2-81.5000118.5
133G24.8Very low29.4Very low66 Ų66131.8 Ų131.868%0.6880%0.802SS**  cis166.2118.9-1800000116.6
134V25.2Very low30.8Very low146 Ų146129.4 Ų129.489%0.88579%0.79SS**  trans62.3152.7136.4-175.20000120.5
135P39.3Very low31.6Very low120 Ų120129.3 Ų129.378%0.77979%0.788SS**  cis-129.7156.8-1028.6-7.4000118.9
136G24.7Very low32.5Very low74 Ų74130 Ų13076%0.76378%0.776SS**  trans91.6158.7139.400000120.2
137P31Very low33.9Very low108 Ų108125.2 Ų125.270%0.70176%0.756SS**  cis-109.8169.4-7.640.5-30.7000114.1
138T36.2Very low35.2Very low139 Ų139125.5 Ų125.585%0.85374%0.743SS**  trans-67.7132178.6440000114.1
139W30.1Very low36.6Very low226 Ų226128 Ų12886%0.85673%0.73SS**  trans-135.4120.9164.3-76.485.9000110.2R141W139-R141 PolarHBondContact O-N 2.8Å
140D33.5Very low38.1Very low171 Ų171125.7 Ų125.791%0.91471%0.707SS**  trans-64.5122.6175.3-95.2-50.6000111.9
141R39.2Very low39.9Very low247 Ų247126.5 Ų126.593%0.93269%0.691SS**  trans-138.258.8167.7-74.7-164.8-179.7-171.52.6111.8W139W139-R141 PolarHBondContact O-N 2.8Å
142G40.6Very low41.6Very low69 Ų69127.8 Ų127.871%0.71168%0.68SS**SBendtrans-108.4-38.6167.600000114
143A41.1Very low43.3Very low95 Ų95120 Ų12079%0.78565%0.652SS**THydrogen-bonded Turntrans-102.286.8-169.900000113
144N53.4Low45.3Very low100 Ų100122.3 Ų122.354%0.53565%0.645SS.*THydrogen-bonded Turntrans-173.3-7.4154.1-116.7-74000114.7K146 Y148N144-K146 PolarHBondContact O-N 3.29Å; N144-Y148 WeakPolarHBondContact O-CB 3.41Å; N144-Y148 PolarHBondContact O-N 2.88Å
145L41.5Very low47.1Very low115 Ų115121.6 Ų121.660%0.60263%0.632SS**Hα-helixtrans-70.8-32.3-175.4-155.775000112.8Y149L145-Y149 HydrophobicContact CD1-CE2 4.27Å; L145-Y149 HydrophobicContact CD2-CE2 3.93Å; L145-Y149 HydrophobicContact CG-CD2 4.11Å; L145-Y149 HydrophobicContact CG-CE2 3.68Å; L145-Y149 WeakPolarHBondContact O-CD2 3.32Å; L145-Y149 PolarHBondContact O-N 3.31Å
146K44.7Very low48.3Very low140 Ų140118.8 Ų118.861%0.60961%0.609SS**Hα-helixtrans-67.1-51.1176.3-158.7175179.4-1760110.1N144 Y148 Y149 S150 D595N144-K146 PolarHBondContact O-N 3.29Å; K146-Y148 PolarHBondContact O-N 2.95Å; K146-Y149 PolarHBondContact O-N 3.28Å; K146-Y149 VanDerWaalsContact O-N 3.13Å; K146-S150 PolarHBondContact O-N 2.97Å; K146-D595 IonicContact NZ-OD2 3.69Å; K146-D595 PolarHBondContact NZ-OD2 3.32Å
147D52.2Low50.4Low78 Ų78119.1 Ų119.142%0.41760%0.596SS.*Hα-helixtrans-58.5-41.9175-61.831.7000112.8Y149 S150 R151D147-Y149 VanDerWaalsContact C-N 3.31Å; D147-Y149 PolarHBondContact O-N 3.2Å; D147-S150 PolarHBondContact O-N 3.07Å; D147-R151 WeakPolarHBondContact O-CB 3.18Å; D147-R151 VanDerWaalsContact O-CG 3.31Å; D147-R151 WeakPolarHBondContact O-CG 3.37Å; D147-R151 PolarHBondContact O-N 3.22Å
148Y54.3Low52.2Low140 Ų140118.6 Ų118.655%0.54958%0.584SS.*Hα-helixtrans-60.6-41175.2176.6-96.6000112N144 K146 K152N144-Y148 WeakPolarHBondContact O-CB 3.41Å; N144-Y148 PolarHBondContact O-N 2.88Å; K146-Y148 PolarHBondContact O-N 2.95Å; Y148-K152 WeakPolarHBondContact O-CB 3.27Å; Y148-K152 PolarHBondContact O-N 3.31Å
149Y53.3Low53.7Low131 Ų131113 Ų11351%0.51455%0.552SS.*Hα-helixtrans-74.3-36176.9-73.8-54.6000113.2L145 K146 D147 E153L145-Y149 HydrophobicContact CD1-CE2 4.27Å; L145-Y149 HydrophobicContact CD2-CE2 3.93Å; L145-Y149 HydrophobicContact CG-CD2 4.11Å; L145-Y149 HydrophobicContact CG-CE2 3.68Å; L145-Y149 WeakPolarHBondContact O-CD2 3.32Å; L145-Y149 PolarHBondContact O-N 3.31Å; K146-Y149 PolarHBondContact O-N 3.28Å; K146-Y149 VanDerWaalsContact O-N 3.13Å; D147-Y149 VanDerWaalsContact C-N 3.31Å; D147-Y149 PolarHBondContact O-N 3.2Å; Y149-E153 WeakPolarHBondContact O-CB 3.48Å; Y149-E153 PolarHBondContact O-N 3.18Å
150S57.6Low55.6Low45 Ų45102.9 Ų102.932%0.31552%0.515SS..Hα-helixtrans-68.3-50.5176105.10000111.3K146 D147 K152 E153 E154K146-S150 PolarHBondContact O-N 2.97Å; D147-S150 PolarHBondContact O-N 3.07Å; S150-K152 PolarHBondContact O-N 2.84Å; S150-K152 VanDerWaalsContact O-N 3.13Å; S150-E153 CarbonylContact O-C 3.56Å; S150-E153 WeakPolarHBondContact O-CA 3.31Å; S150-E153 WeakPolarHBondContact O-CB 3.49Å; S150-E153 PolarHBondContact O-N 2.64Å; S150-E154 WeakPolarHBondContact O-CG 3.35Å; S150-E154 PolarHBondContact O-N 3.04Å; S150-E154 PolarHBondContact OG-OE1 3.22Å
151R63.5Low57.4Low144 Ų14496.7 Ų96.754%0.54348%0.482SS..Hα-helixtrans-56.9-34.4177-70179.2-170.8177.67.3112.5D147 Q155D147-R151 WeakPolarHBondContact O-CB 3.18Å; D147-R151 VanDerWaalsContact O-CG 3.31Å; D147-R151 WeakPolarHBondContact O-CG 3.37Å; D147-R151 PolarHBondContact O-N 3.22Å; R151-Q155 WeakPolarHBondContact O-CB 3.29Å; R151-Q155 WeakPolarHBondContact O-CG 3.45Å; R151-Q155 PolarHBondContact O-N 2.95Å
152K60.6Low59Low86 Ų8687.8 Ų87.837%0.37445%0.45SS..Hα-helixtrans-70.8-39.6175.9-178.3-177.9169.3-166.70112.2Y148 S150 Q155 E156Y148-K152 WeakPolarHBondContact O-CB 3.27Å; Y148-K152 PolarHBondContact O-N 3.31Å; S150-K152 PolarHBondContact O-N 2.84Å; S150-K152 VanDerWaalsContact O-N 3.13Å; K152-Q155 PolarHBondContact O-N 3.22Å; K152-E156 WeakPolarHBondContact CE-OE1 3.46Å; K152-E156 IonicContact NZ-OE1 2.71Å; K152-E156 WeakPolarHBondContact O-CG 3.49Å; K152-E156 PolarHBondContact O-N 3.33Å
153E61.9Low60.5Low81 Ų8184.6 Ų84.638%0.37942%0.417SS..Hα-helixtrans-69.8-41.9177.5-169.5170.8-13000111.2Y149 S150 Q155 E156 V157 K596Y149-E153 WeakPolarHBondContact O-CB 3.48Å; Y149-E153 PolarHBondContact O-N 3.18Å; S150-E153 CarbonylContact O-C 3.56Å; S150-E153 WeakPolarHBondContact O-CA 3.31Å; S150-E153 WeakPolarHBondContact O-CB 3.49Å; S150-E153 PolarHBondContact O-N 2.64Å; E153-Q155 VanDerWaalsContact C-N 3.33Å; E153-Q155 PolarHBondContact O-N 3.32Å; E153-E156 PolarHBondContact O-N 3.04Å; E153-E156 VanDerWaalsContact O-N 3.16Å; E153-V157 WeakPolarHBondContact O-CG2 3.38Å; E153-V157 PolarHBondContact O-N 3.39Å; E153-K596 IonicContact OE1-NZ 3.43Å; E153-K596 PolarHBondContact OE1-NZ 2.99Å; E153-K596 WeakPolarHBondContact OE2-CE 3.48Å; E153-K596 IonicContact OE2-NZ 3.71Å; E153-K596 PolarHBondContact OE2-NZ 3.09Å
154E67.7Low62.1Low114 Ų11480.5 Ų80.553%0.53338%0.382SS..Hα-helixtrans-55.8-44.8169.2-69.9156.2-144.200111.3S150 V157 Q158S150-E154 WeakPolarHBondContact O-CG 3.35Å; S150-E154 PolarHBondContact O-N 3.04Å; S150-E154 PolarHBondContact OG-OE1 3.22Å; E154-V157 PolarHBondContact O-N 3.08Å; E154-Q158 VanDerWaalsContact O-CB 3.25Å; E154-Q158 WeakPolarHBondContact O-CB 3.47Å; E154-Q158 PolarHBondContact O-N 2.88Å
155Q62.8Low63.1Low130 Ų13078.3 Ų78.361%0.60737%0.369SS*.Hα-helixtrans-64.6-40.1174.1-76.8171.910.800113.2R151 K152 E153 A159R151-Q155 WeakPolarHBondContact O-CB 3.29Å; R151-Q155 WeakPolarHBondContact O-CG 3.45Å; R151-Q155 PolarHBondContact O-N 2.95Å; K152-Q155 PolarHBondContact O-N 3.22Å; E153-Q155 VanDerWaalsContact C-N 3.33Å; E153-Q155 PolarHBondContact O-N 3.32Å; Q155-A159 VanDerWaalsContact O-CB 3.3Å; Q155-A159 WeakPolarHBondContact O-CB 3.17Å; Q155-A159 PolarHBondContact O-N 3.34Å
156E65.5Low64.6Low62 Ų6274 Ų7429%0.2935%0.347SS..Hα-helixtrans-67.5-37.4176.8-75.9179.3-173.500111.5K152 E153 T160K152-E156 WeakPolarHBondContact CE-OE1 3.46Å; K152-E156 IonicContact NZ-OE1 2.71Å; K152-E156 WeakPolarHBondContact O-CG 3.49Å; K152-E156 PolarHBondContact O-N 3.33Å; E153-E156 PolarHBondContact O-N 3.04Å; E153-E156 VanDerWaalsContact O-N 3.16Å; E156-T160 WeakPolarHBondContact O-CB 3.36Å; E156-T160 PolarHBondContact O-N 2.82Å; E156-T160 PolarHBondContact O-OG1 2.89Å
157V67.3Low66.1Low81 Ų8168.9 Ų68.949%0.49133%0.326SS..Hα-helixtrans-67.3-50.8173.1170.80000111E153 E154 A159 T160 L161E153-V157 WeakPolarHBondContact O-CG2 3.38Å; E153-V157 PolarHBondContact O-N 3.39Å; E154-V157 PolarHBondContact O-N 3.08Å; V157-A159 PolarHBondContact O-N 2.66Å; V157-T160 WeakPolarHBondContact O-CA 3.32Å; V157-T160 WeakPolarHBondContact O-CB 3.31Å; V157-T160 PolarHBondContact O-N 3.34Å; V157-L161 HydrophobicContact CG1-CD1 4.1Å; V157-L161 HydrophobicContact CG1-CG 4.39Å; V157-L161 WeakPolarHBondContact O-CG 3.4Å; V157-L161 PolarHBondContact O-N 3.18Å
158Q69.4Low67.1Low96 Ų9669.6 Ų69.645%0.44933%0.329SS..Hα-helixtrans-59.1-45.3-179.5-179.860.324.600112E154 T160 L161 E162E154-Q158 VanDerWaalsContact O-CB 3.25Å; E154-Q158 WeakPolarHBondContact O-CB 3.47Å; E154-Q158 PolarHBondContact O-N 2.88Å; Q158-T160 VanDerWaalsContact C-N 3.26Å; Q158-T160 PolarHBondContact O-N 3.35Å; Q158-L161 PolarHBondContact O-N 3.03Å; Q158-E162 WeakPolarHBondContact CG-OE1 3.26Å; Q158-E162 PolarHBondContact NE2-OE1 2.87Å; Q158-E162 WeakPolarHBondContact O-CB 3.38Å; Q158-E162 WeakPolarHBondContact O-CG 3.48Å; Q158-E162 PolarHBondContact O-N 3.46Å
159A67.8Low68.3Low22 Ų2264.3 Ų64.318%0.18231%0.311CS..Hα-helixtrans-63-31.9175.500000112.8Q155 V157 S163 N1019Q155-A159 VanDerWaalsContact O-CB 3.3Å; Q155-A159 WeakPolarHBondContact O-CB 3.17Å; Q155-A159 PolarHBondContact O-N 3.34Å; V157-A159 PolarHBondContact O-N 2.66Å; A159-S163 WeakPolarHBondContact O-CB 3.44Å; A159-S163 PolarHBondContact O-N 3.27Å; A159-S163 PolarHBondContact O-OG 3.48Å; A159-N1019 HydrophobicContact CB-CB 4.28Å
160T69.8Low69.6Low14 Ų1458.8 Ų58.89%0.08629%0.292CS..Hα-helixtrans-70.4-45.1175.5-57.80000111.1E156 V157 Q158 S163 E164 R1050 I1054E156-T160 WeakPolarHBondContact O-CB 3.36Å; E156-T160 PolarHBondContact O-N 2.82Å; E156-T160 PolarHBondContact O-OG1 2.89Å; V157-T160 WeakPolarHBondContact O-CA 3.32Å; V157-T160 WeakPolarHBondContact O-CB 3.31Å; V157-T160 PolarHBondContact O-N 3.34Å; Q158-T160 VanDerWaalsContact C-N 3.26Å; Q158-T160 PolarHBondContact O-N 3.35Å; T160-S163 PolarHBondContact O-N 2.86Å; T160-E164 PolarHBondContact O-N 2.93Å; T160-R1050 HydrophobicContact CG2-CG 4.4Å; T160-I1054 HydrophobicContact CG2-CD1 4.41Å; T160-I1054 HydrophobicContact CG2-CG1 4.43Å
161L71.9Confident70.7Confident41 Ų4159.6 Ų59.622%0.21531%0.307CS..Hα-helixtrans-58.7-50.1175.4-65.6172.3000111.6V157 Q158 S163 E164 E165 S233 N234 L237V157-L161 HydrophobicContact CG1-CD1 4.1Å; V157-L161 HydrophobicContact CG1-CG 4.39Å; V157-L161 WeakPolarHBondContact O-CG 3.4Å; V157-L161 PolarHBondContact O-N 3.18Å; Q158-L161 PolarHBondContact O-N 3.03Å; L161-S163 PolarHBondContact O-N 3.14Å; L161-E164 PolarHBondContact O-N 3.36Å; L161-E164 VanDerWaalsContact O-N 3.15Å; L161-E165 PolarHBondContact O-N 3.33Å; L161-E165 VanDerWaalsContact O-N 3.12Å; L161-S233 WeakPolarHBondContact CD2-OG 3.34Å; L161-N234 WeakPolarHBondContact CD2-ND2 3.46Å; L161-L237 HydrophobicContact CD2-CD1 3.59Å
162E73.2Confident71.7Confident59 Ų5954.8 Ų54.828%0.27629%0.292SS..Hα-helixtrans-60.8-28.6-179.6-79.7-178.8-15600114.1Q158 V166 R1018Q158-E162 WeakPolarHBondContact CG-OE1 3.26Å; Q158-E162 PolarHBondContact NE2-OE1 2.87Å; Q158-E162 WeakPolarHBondContact O-CB 3.38Å; Q158-E162 WeakPolarHBondContact O-CG 3.48Å; Q158-E162 PolarHBondContact O-N 3.46Å; E162-V166 WeakPolarHBondContact O-CG2 3.36Å; E162-R1018 PolarHBondContact O-NE 3.22Å; E162-R1018 IonicContact OE2-CZ 2.81Å; E162-R1018 IonicContact OE2-NH1 3.65Å; E162-R1018 PolarHBondContact OE2-NH1 2.92Å
163S70.6Confident73Confident2 Ų250.7 Ų50.71%0.01428%0.275CS..Hα-helixtrans-87-28.2177.6-54.10000112.6A159 T160 L161 E165 V166 R1018 I1054A159-S163 WeakPolarHBondContact O-CB 3.44Å; A159-S163 PolarHBondContact O-N 3.27Å; A159-S163 PolarHBondContact O-OG 3.48Å; T160-S163 PolarHBondContact O-N 2.86Å; L161-S163 PolarHBondContact O-N 3.14Å; S163-E165 VanDerWaalsContact C-N 3.28Å; S163-V166 PolarHBondContact O-N 2.83Å; S163-R1018 WeakPolarHBondContact OG-CB 3.23Å; S163-I1054 WeakPolarHBondContact OG-CD1 3.48Å
164E75.5Confident74.2Confident9 Ų947.1 Ų47.14%0.04226%0.259CS..Hα-helixtrans-68.4-30.4171.9-83.4-179.6-172.800111.9T160 L161 V166 L178 S233 L237 H742 N743 M745 R1050T160-E164 PolarHBondContact O-N 2.93Å; L161-E164 PolarHBondContact O-N 3.36Å; L161-E164 VanDerWaalsContact O-N 3.15Å; E164-V166 VanDerWaalsContact C-N 3.31Å; E164-V166 PolarHBondContact O-N 3.4Å; E164-L178 WeakPolarHBondContact O-CD1 3.37Å; E164-S233 WeakPolarHBondContact OE1-CB 3.12Å; E164-S233 WeakPolarHBondContact OE2-CB 3.38Å; E164-S233 PolarHBondContact OE2-N 3.24Å; E164-S233 PolarHBondContact OE2-OG 3.49Å; E164-L237 HydrophobicContact CB-CD1 4.13Å; E164-L237 WeakPolarHBondContact OE2-CD1 3.42Å; E164-H742 PolarHBondContact O-NE2 3.26Å; E164-N743 PolarHBondContact O-ND2 3.38Å; E164-M745 HydrophobicContact CG-CE 3.62Å; E164-R1050 WeakPolarHBondContact OE1-CD 3.24Å; E164-R1050 IonicContact OE1-CZ 3.19Å; E164-R1050 IonicContact OE1-NE 2.99Å; E164-R1050 IonicContact OE1-NH1 3.66Å; E164-R1050 PolarHBondContact OE1-NH1 2.82Å
165E73.9Confident75.1Confident55 Ų5544.9 Ų44.926%0.25725%0.251SS..THydrogen-bonded Turntrans-73.4-10.2176.6-74.3-174.4164.400115.2L161 S163 L237 K266L161-E165 PolarHBondContact O-N 3.33Å; L161-E165 VanDerWaalsContact O-N 3.12Å; S163-E165 VanDerWaalsContact C-N 3.28Å; E165-L237 HydrophobicContact CG-CD2 3.85Å; E165-K266 IonicContact OE1-NZ 2.71Å; E165-K266 IonicContact OE2-NZ 2.73Å; E165-K266 PolarHBondContact OE2-NZ 3.08Å
166V74.1Confident76.4Confident24 Ų2439 Ų3915%0.14522%0.223CC..  trans-77.4133.7-176.7-175.40000111.1E162 S163 E164 L168 H742 N743 E1016 R1018E162-V166 WeakPolarHBondContact O-CG2 3.36Å; S163-V166 PolarHBondContact O-N 2.83Å; E164-V166 VanDerWaalsContact C-N 3.31Å; E164-V166 PolarHBondContact O-N 3.4Å; V166-L168 HydrophobicContact CG1-CD2 4.13Å; V166-L168 HydrophobicContact CG1-CG 4.49Å; V166-H742 PolarHBondContact O-CD2 2.97Å; V166-H742 VanDerWaalsContact O-CD2 3.22Å; V166-N743 WeakPolarHBondContact O-CB 3.34Å; V166-E1016 HydrophobicContact CB-CG 4.34Å; V166-E1016 HydrophobicContact CG1-CB 4.04Å; V166-E1016 HydrophobicContact CG1-CG 3.69Å; V166-E1016 HydrophobicContact CG2-CB 4.02Å; V166-E1016 HydrophobicContact CG2-CG 4.3Å; V166-R1018 HydrophobicContact CG2-CG 4Å
167D75Confident77.5Confident33 Ų3337.1 Ų37.118%0.17622%0.216CC..  trans-121107.6178.7-174-19.9000109.5N169 A170 T177 R248D167-N169 PolarHBondContact OD1-N 3.4Å; D167-N169 VanDerWaalsContact OD1-N 3.11Å; D167-N169 PolarHBondContact OD1-OD1 2.97Å; D167-N169 VanDerWaalsContact OD1-OD1 3.05Å; D167-A170 PolarHBondContact OD1-N 3.12Å; D167-T177 WeakPolarHBondContact OD2-CA 3.49Å; D167-R248 IonicContact OD1-NH2 3.44Å; D167-R248 PolarHBondContact OD1-NH2 3.42Å; D167-R248 IonicContact OD2-CZ 3.82Å; D167-R248 IonicContact OD2-NH2 3.37Å; D167-R248 PolarHBondContact OD2-NH2 3.08Å
168L74.2Confident78.3Confident92 Ų9233.4 Ų33.448%0.48219%0.193SC..SBendtrans-84-16.1-176.8-63.3175.9000113.2V166 H742 N744 E1016V166-L168 HydrophobicContact CG1-CD2 4.13Å; V166-L168 HydrophobicContact CG1-CG 4.49Å; L168-H742 PolarHBondContact N-O 3.36Å; L168-N744 HydrophobicContact CD1-CB 4.32Å; L168-E1016 HydrophobicContact CD2-CG 4.15Å
169N78.8Confident79Confident30 Ų3033.5 Ų33.516%0.1619%0.194CC..  trans-124.71.5-167.863.69.5000114.7D167 G171 L172 H173 R248 E831D167-N169 PolarHBondContact OD1-N 3.4Å; D167-N169 VanDerWaalsContact OD1-N 3.11Å; D167-N169 PolarHBondContact OD1-OD1 2.97Å; D167-N169 VanDerWaalsContact OD1-OD1 3.05Å; N169-G171 PolarHBondContact O-N 3.04Å; N169-L172 VanDerWaalsContact O-CB 3.29Å; N169-L172 WeakPolarHBondContact O-CB 3.43Å; N169-L172 PolarHBondContact O-N 3.44Å; N169-H173 PolarHBondContact O-CD2 3.07Å; N169-R248 VanDerWaalsContact OD1-CZ 3.24Å; N169-R248 PolarHBondContact OD1-NH1 3.43Å; N169-R248 PolarHBondContact OD1-NH2 3.16Å; N169-E831 PolarHBondContact ND2-OE1 2.99Å; N169-E831 PolarHBondContact ND2-OE2 3.01Å
170A81.1Confident80Confident14 Ų1433.3 Ų33.312%0.11619%0.19CC..G310 helixtrans-38.3-40.8176.500000116D167 L172 H173 G174 N175 T177D167-A170 PolarHBondContact OD1-N 3.12Å; A170-L172 VanDerWaalsContact C-N 3.26Å; A170-L172 PolarHBondContact O-N 3.37Å; A170-H173 CarbonylContact O-C 3.47Å; A170-H173 PolarHBondContact O-N 3.28Å; A170-G174 PolarHBondContact O-N 3.43Å; A170-N175 VanDerWaalsContact O-CA 3.32Å; A170-N175 WeakPolarHBondContact O-CA 3.33Å; A170-N175 PolarHBondContact O-N 2.82Å; A170-T177 HydrophobicContact CB-CG2 3.66Å
171G81.2Confident81Confident62 Ų6232.6 Ų32.664%0.63919%0.185SC*.G310 helixtrans-61.2-29.1178.700000114.4N169 H173N169-G171 PolarHBondContact O-N 3.04Å; G171-H173 VanDerWaalsContact C-N 3.33Å
172L84.8Confident81.9Confident44 Ų4433.5 Ų33.523%0.2319%0.187CC..G310 helixtrans-72.9-25.6173.7-178.264.1000112.3N169 A170 H252 I830 E831 H834N169-L172 VanDerWaalsContact O-CB 3.29Å; N169-L172 WeakPolarHBondContact O-CB 3.43Å; N169-L172 PolarHBondContact O-N 3.44Å; A170-L172 VanDerWaalsContact C-N 3.26Å; A170-L172 PolarHBondContact O-N 3.37Å; L172-H252 PolarHBondContact O-CE1 2.98Å; L172-I830 HydrophobicContact CD1-CG2 4.09Å; L172-I830 HydrophobicContact CD2-CG2 4.16Å; L172-I830 HydrophobicContact CG-CG2 4.05Å; L172-E831 HydrophobicContact CD2-CG 4.02Å; L172-H834 HydrophobicContact CD1-CB 3.97Å; L172-H834 HydrophobicContact CD2-CB 3.74Å
173H87.8Confident82.7Confident0 Ų033.2 Ų33.20%020%0.196CC..G310 helixtrans-112.941.1-175.5-47.9-99.8000112N169 A170 G171 N175 W176 R248 H252 E831N169-H173 PolarHBondContact O-CD2 3.07Å; A170-H173 CarbonylContact O-C 3.47Å; A170-H173 PolarHBondContact O-N 3.28Å; G171-H173 VanDerWaalsContact C-N 3.33Å; H173-N175 VanDerWaalsContact C-N 3.31Å; H173-N175 PolarHBondContact O-N 2.86Å; H173-W176 VanDerWaalsContact O-CD1 3.23Å; H173-W176 PolarHBondContact O-N 3.08Å; H173-R248 HydrophobicContact CB-CB 4.12Å; H173-R248 HydrophobicContact CB-CG 3.6Å; H173-R248 PolarHBondContact CD2-NH1 3.24Å; H173-R248 VanDerWaalsContact CD2-NH1 3.34Å; H173-R248 PolarHBondContact NE2-NH1 3.1Å; H173-H252 AromaticContact CE1-NE2 3.88Å; H173-H252 AromaticContact CG-NE2 3.71Å; H173-H252 AromaticContact ND1-CD2 3.68Å; H173-H252 AromaticContact ND1-NE2 3.05Å; H173-H252 PolarHBondContact ND1-NE2 3.25Å; H173-E831 IonicContact CE1-OE1 3.84Å; H173-E831 PolarHBondContact CE1-OE1 3.35Å; H173-E831 WeakPolarHBondContact NE2-CG 3.41Å; H173-E831 IonicContact NE2-OE1 3.25Å; H173-E831 PolarHBondContact NE2-OE1 2.97Å
174G85.9Confident83.8Confident5 Ų534.4 Ų34.45%0.05220%0.2CC..THydrogen-bonded Turntrans64.730.6173.300000114.4A170 W176 Y251 Y259A170-G174 PolarHBondContact O-N 3.43Å; G174-W176 PolarHBondContact O-N 3Å; G174-Y251 VanDerWaalsContact N-CE1 3.34Å; G174-Y259 PolarHBondContact O-N 2.94Å
175N87.8Confident84.6Confident67 Ų6734 Ų3436%0.35820%0.198SC..THydrogen-bonded Turntrans61.722-177.3-57.5-44.5000115.1A170 H173 N180 Y259 T263A170-N175 VanDerWaalsContact O-CA 3.32Å; A170-N175 WeakPolarHBondContact O-CA 3.33Å; A170-N175 PolarHBondContact O-N 2.82Å; H173-N175 VanDerWaalsContact C-N 3.31Å; H173-N175 PolarHBondContact O-N 2.86Å; N175-N180 PolarHBondContact O-ND2 3.31Å; N175-Y259 HydrophobicContact CB-CD1 4.36Å; N175-T263 HydrophobicContact CB-CG2 4.16Å
176W89.4Confident85.4Confident7 Ų734.7 Ų34.73%0.02720%0.203CC..  trans-77.2127.4169.2-66.5115.1000110.8H173 G174 N180 R184 L244 V247 R248 V256 E257 Y259H173-W176 VanDerWaalsContact O-CD1 3.23Å; H173-W176 PolarHBondContact O-N 3.08Å; G174-W176 PolarHBondContact O-N 3Å; W176-N180 HydrophobicContact CE3-CB 4.46Å; W176-N180 HydrophobicContact CZ3-CB 4.33Å; W176-R184 HydrophobicContact CE3-CB 4.24Å; W176-R184 HydrophobicContact CE3-CG 4.48Å; W176-R184 HydrophobicContact CH2-CB 3.73Å; W176-R184 HydrophobicContact CH2-CG 3.38Å; W176-R184 HydrophobicContact CZ2-CG 3.88Å; W176-R184 HydrophobicContact CZ3-CB 3.5Å; W176-R184 HydrophobicContact CZ3-CG 3.71Å; W176-L244 HydrophobicContact CB-CD1 4.24Å; W176-L244 WeakPolarHBondContact O-CD1 3.4Å; W176-V247 HydrophobicContact CB-CG1 4.11Å; W176-V247 HydrophobicContact CD2-CG1 3.42Å; W176-V247 VanDerWaalsContact CD2-CG1 3.42Å; W176-V247 HydrophobicContact CE3-CG1 3.79Å; W176-V247 HydrophobicContact CG-CG1 3.53Å; W176-R248 HydrophobicContact CB-CG 4.27Å; W176-V256 HydrophobicContact CZ2-CG1 3.7Å; W176-E257 VanDerWaalsContact CZ2-O 3.29Å; W176-E257 WeakPolarHBondContact CZ2-O 3.19Å; W176-E257 PolarHBondContact NE1-O 3.36Å; W176-Y259 HydrophobicContact CE3-CD2 4.43Å; W176-Y259 AromaticContact CH2-CD2 3.78Å; W176-Y259 HydrophobicContact CH2-CD2 3.78Å; W176-Y259 HydrophobicContact CH2-CG 4.33Å; W176-Y259 AromaticContact CZ3-CD2 3.69Å; W176-Y259 HydrophobicContact CZ3-CD2 3.69Å; W176-Y259 HydrophobicContact CZ3-CG 4.19Å
177T87.5Confident86.2Confident22 Ų2238.8 Ų38.814%0.13522%0.221CC..  trans-134.2167.8-17468.60000111.8D167 A170 E179 N180 A181 T263D167-T177 WeakPolarHBondContact OD2-CA 3.49Å; A170-T177 HydrophobicContact CB-CG2 3.66Å; T177-E179 PolarHBondContact O-N 3.04Å; T177-E179 VanDerWaalsContact O-N 3.1Å; T177-E179 PolarHBondContact OG1-N 2.91Å; T177-N180 PolarHBondContact N-OD1 3.01Å; T177-N180 PolarHBondContact O-N 3.41Å; T177-N180 PolarHBondContact O-OD1 3.32Å; T177-N180 PolarHBondContact OG1-OD1 3.24Å; T177-A181 VanDerWaalsContact O-CB 3.23Å; T177-A181 WeakPolarHBondContact O-CB 3.15Å; T177-A181 PolarHBondContact O-N 3.05Å; T177-T263 HydrophobicContact CG2-CG2 4.31Å
178L84.1Confident86.9Confident3 Ų337.4 Ų37.42%0.01621%0.213CC..THydrogen-bonded Turntrans-56.6-24.7176.3-69.6173.9000114.3E164 Q240 L244E164-L178 WeakPolarHBondContact O-CD1 3.37Å; L178-Q240 HydrophobicContact CD2-CB 4.03Å; L178-Q240 PolarHBondContact O-NE2 3.47Å; L178-L244 HydrophobicContact CD2-CB 4.08Å; L178-L244 HydrophobicContact CD2-CD2 3.73Å; L178-L244 HydrophobicContact CG-CD2 3.85Å
179E84.4Confident87.8Confident98 Ų9833.8 Ų33.846%0.45819%0.193SC..THydrogen-bonded Turntrans-80.6-39.6180-60.5-16015200113T177 K266T177-E179 PolarHBondContact O-N 3.04Å; T177-E179 VanDerWaalsContact O-N 3.1Å; T177-E179 PolarHBondContact OG1-N 2.91Å; E179-K266 WeakPolarHBondContact OE1-CE 3.48Å; E179-K266 IonicContact OE1-NZ 2.75Å; E179-K266 PolarHBondContact OE1-NZ 2.98Å
180N89Confident88.4Confident18 Ų1839.7 Ų39.710%0.09622%0.22CC..THydrogen-bonded Turntrans-99.9-27-172.664.413.8000113.7N175 W176 T177 K182 A183 R184 Y259N175-N180 PolarHBondContact O-ND2 3.31Å; W176-N180 HydrophobicContact CE3-CB 4.46Å; W176-N180 HydrophobicContact CZ3-CB 4.33Å; T177-N180 PolarHBondContact N-OD1 3.01Å; T177-N180 PolarHBondContact O-N 3.41Å; T177-N180 PolarHBondContact O-OD1 3.32Å; T177-N180 PolarHBondContact OG1-OD1 3.24Å; N180-K182 PolarHBondContact O-N 3.44Å; N180-A183 PolarHBondContact O-N 2.72Å; N180-R184 PolarHBondContact O-N 3.18Å; N180-R184 VanDerWaalsContact O-N 3.17Å; N180-Y259 HydrophobicContact CB-CD2 4.4Å; N180-Y259 HydrophobicContact CB-CE2 4.14Å; N180-Y259 WeakPolarHBondContact ND2-CD1 3.4Å; N180-Y259 WeakPolarHBondContact ND2-CE1 3.46Å; N180-Y259 VanDerWaalsContact ND2-CG 3.28Å
181A91.1Very high88.8Confident0 Ų046.2 Ų46.20%025%0.246CC..Hα-helixtrans-64-45.7-172.200000113.6T177 A183 R184 L185 L244 V247T177-A181 VanDerWaalsContact O-CB 3.23Å; T177-A181 WeakPolarHBondContact O-CB 3.15Å; T177-A181 PolarHBondContact O-N 3.05Å; A181-A183 VanDerWaalsContact C-N 3.26Å; A181-A183 PolarHBondContact O-N 3.09Å; A181-R184 PolarHBondContact O-N 2.74Å; A181-L185 PolarHBondContact O-N 3Å; A181-L244 HydrophobicContact CB-CB 4.17Å; A181-L244 HydrophobicContact CB-CD1 3.85Å; A181-V247 HydrophobicContact CB-CB 4.04Å; A181-V247 HydrophobicContact CB-CG1 4.38Å; A181-V247 HydrophobicContact CB-CG2 4.14Å; A181-V247 WeakPolarHBondContact O-CG2 3.38Å
182K90.4Very high89.1Confident59 Ų5944.8 Ų44.826%0.25722%0.223SC..Hα-helixtrans-60.5-35.9-179-170.9168.8-175.9169.70112.6N180 N186 Q240 A243N180-K182 PolarHBondContact O-N 3.44Å; K182-N186 VanDerWaalsContact O-CG 3.25Å; K182-N186 PolarHBondContact O-N 3.28Å; K182-N186 PolarHBondContact O-ND2 2.98Å; K182-Q240 HydrophobicContact CD-CG 4.05Å; K182-A243 HydrophobicContact CB-CB 3.96Å; K182-A243 HydrophobicContact CG-CB 4.26Å
183A90.3Very high89.2Confident54 Ų5451.7 Ų51.745%0.44625%0.251SS..Hα-helixtrans-67.4-44.4173.500000111.7N180 A181 L185 N186 Q187N180-A183 PolarHBondContact O-N 2.72Å; A181-A183 VanDerWaalsContact C-N 3.26Å; A181-A183 PolarHBondContact O-N 3.09Å; A183-L185 VanDerWaalsContact C-N 3.35Å; A183-L185 PolarHBondContact O-N 3.38Å; A183-N186 PolarHBondContact O-N 2.88Å; A183-Q187 WeakPolarHBondContact O-CG 3.12Å; A183-Q187 PolarHBondContact O-N 3.25Å; A183-Q187 VanDerWaalsContact O-N 3.08Å
184R92.7Very high89.2Confident26 Ų2653.5 Ų53.510%0.09826%0.26CS..Hα-helixtrans-65.6-35.5178.6-173.964-178.975.5-2.1113.2W176 N180 A181 Q187 Y188 V247 V256 E257W176-R184 HydrophobicContact CE3-CB 4.24Å; W176-R184 HydrophobicContact CE3-CG 4.48Å; W176-R184 HydrophobicContact CH2-CB 3.73Å; W176-R184 HydrophobicContact CH2-CG 3.38Å; W176-R184 HydrophobicContact CZ2-CG 3.88Å; W176-R184 HydrophobicContact CZ3-CB 3.5Å; W176-R184 HydrophobicContact CZ3-CG 3.71Å; N180-R184 PolarHBondContact O-N 3.18Å; N180-R184 VanDerWaalsContact O-N 3.17Å; A181-R184 PolarHBondContact O-N 2.74Å; R184-Q187 PolarHBondContact O-N 2.88Å; R184-Y188 PolarHBondContact O-N 3.33Å; R184-V247 HydrophobicContact CG-CG1 4.43Å; R184-V256 HydrophobicContact CG-CG1 4.09Å; R184-E257 IonicContact CZ-OE1 3.3Å; R184-E257 VanDerWaalsContact CZ-OE1 3.24Å; R184-E257 IonicContact CZ-OE2 2.74Å; R184-E257 IonicContact NE-OE1 2.88Å; R184-E257 PolarHBondContact NE-OE1 3.01Å; R184-E257 IonicContact NH2-OE1 3.82Å; R184-E257 PolarHBondContact NH2-OE1 3.21Å; R184-E257 IonicContact NH2-OE2 3.43Å; R184-E257 PolarHBondContact NH2-OE2 3.22Å
185L92.8Very high88.9Confident0 Ų062.7 Ų62.70%030%0.302CS..Hα-helixtrans-66.6-43.3176-170.259.3000111.4A181 A183 Q187 Y188 F189 M215 I217 A243 L246 V247 L250A181-L185 PolarHBondContact O-N 3Å; A183-L185 VanDerWaalsContact C-N 3.35Å; A183-L185 PolarHBondContact O-N 3.38Å; L185-Q187 VanDerWaalsContact C-N 3.32Å; L185-Q187 PolarHBondContact O-N 3.45Å; L185-Y188 WeakPolarHBondContact O-CB 3.38Å; L185-Y188 PolarHBondContact O-N 2.99Å; L185-Y188 VanDerWaalsContact O-N 3.12Å; L185-F189 HydrophobicContact CD1-CE1 4.07Å; L185-F189 HydrophobicContact CD1-CE2 4.34Å; L185-F189 HydrophobicContact CD1-CZ 3.88Å; L185-F189 HydrophobicContact CD2-CE2 4.08Å; L185-F189 HydrophobicContact CD2-CZ 4.05Å; L185-F189 HydrophobicContact CG-CD2 4.32Å; L185-F189 HydrophobicContact CG-CE1 4.35Å; L185-F189 HydrophobicContact CG-CE2 3.73Å; L185-F189 HydrophobicContact CG-CZ 3.75Å; L185-F189 WeakPolarHBondContact O-CG 3.45Å; L185-F189 PolarHBondContact O-N 3.2Å; L185-M215 HydrophobicContact CD2-SD 4.29Å; L185-I217 HydrophobicContact CD1-CD1 3.83Å; L185-A243 HydrophobicContact CD2-CB 3.83Å; L185-L246 HydrophobicContact CD1-CB 4.38Å; L185-L246 HydrophobicContact CD2-CB 4.21Å; L185-L246 HydrophobicContact CD2-CD1 4.04Å; L185-V247 HydrophobicContact CB-CG2 3.77Å; L185-V247 HydrophobicContact CD1-CG2 4.23Å; L185-V247 HydrophobicContact CG-CG2 4.48Å; L185-L250 HydrophobicContact CD1-CD1 4.03Å
186N91.6Very high88.5Confident71 Ų7161 Ų6138%0.3830%0.3SS..Hα-helixtrans-61.2-39.5174.2-70.5-10.1000112.1K182 A183 F189 Q190K182-N186 VanDerWaalsContact O-CG 3.25Å; K182-N186 PolarHBondContact O-N 3.28Å; K182-N186 PolarHBondContact O-ND2 2.98Å; A183-N186 PolarHBondContact O-N 2.88Å; N186-F189 PolarHBondContact O-N 3.01Å; N186-Q190 WeakPolarHBondContact O-CG 3.49Å; N186-Q190 PolarHBondContact O-N 3.12Å
187Q90.6Very high88.3Confident110 Ų11068.8 Ų68.851%0.51434%0.337SS..Hα-helixtrans-63.4-39.7173-70.1170.7-7.800112.2A183 R184 L185 Q190 K191A183-Q187 WeakPolarHBondContact O-CG 3.12Å; A183-Q187 PolarHBondContact O-N 3.25Å; A183-Q187 VanDerWaalsContact O-N 3.08Å; R184-Q187 PolarHBondContact O-N 2.88Å; L185-Q187 VanDerWaalsContact C-N 3.32Å; L185-Q187 PolarHBondContact O-N 3.45Å; Q187-Q190 PolarHBondContact O-N 2.86Å; Q187-K191 WeakPolarHBondContact O-CB 3.39Å; Q187-K191 PolarHBondContact O-N 2.83Å
188Y90.6Very high88.3Confident4 Ų469.2 Ų69.22%0.01634%0.336CS..Hα-helixtrans-62.7-44.7174.8-178.7-102.8000111.7R184 L185 Q190 K191 E192 I194 I217 L250 V255 V256R184-Y188 PolarHBondContact O-N 3.33Å; L185-Y188 WeakPolarHBondContact O-CB 3.38Å; L185-Y188 PolarHBondContact O-N 2.99Å; L185-Y188 VanDerWaalsContact O-N 3.12Å; Y188-Q190 PolarHBondContact O-N 2.97Å; Y188-K191 PolarHBondContact O-N 3.36Å; Y188-E192 HydrophobicContact CD2-CG 4.06Å; Y188-E192 HydrophobicContact CE1-CG 4.14Å; Y188-E192 HydrophobicContact CE2-CG 3.61Å; Y188-E192 WeakPolarHBondContact O-CB 3.44Å; Y188-E192 PolarHBondContact O-N 2.81Å; Y188-I194 HydrophobicContact CE1-CD1 4.14Å; Y188-I217 HydrophobicContact CE1-CG2 4.44Å; Y188-L250 HydrophobicContact CD1-CD1 4.08Å; Y188-L250 HydrophobicContact CE1-CD1 4.21Å; Y188-L250 HydrophobicContact CE1-CD2 4.29Å; Y188-L250 HydrophobicContact CG-CD1 4.36Å; Y188-V255 HydrophobicContact CD2-CG1 4.49Å; Y188-V255 HydrophobicContact CE2-CG1 3.51Å; Y188-V256 HydrophobicContact CD2-CG2 4.44Å
189F92.4Very high88.4Confident15 Ų1574.8 Ų74.87%0.06636%0.36CS..Hα-helixtrans-60.7-42.8175.2-69.7-23.9000113.5L185 N186 K193 I194 M215 I217L185-F189 HydrophobicContact CD1-CE1 4.07Å; L185-F189 HydrophobicContact CD1-CE2 4.34Å; L185-F189 HydrophobicContact CD1-CZ 3.88Å; L185-F189 HydrophobicContact CD2-CE2 4.08Å; L185-F189 HydrophobicContact CD2-CZ 4.05Å; L185-F189 HydrophobicContact CG-CD2 4.32Å; L185-F189 HydrophobicContact CG-CE1 4.35Å; L185-F189 HydrophobicContact CG-CE2 3.73Å; L185-F189 HydrophobicContact CG-CZ 3.75Å; L185-F189 WeakPolarHBondContact O-CG 3.45Å; L185-F189 PolarHBondContact O-N 3.2Å; N186-F189 PolarHBondContact O-N 3.01Å; F189-K193 WeakPolarHBondContact O-CA 3.27Å; F189-K193 PolarHBondContact O-N 2.91Å; F189-I194 WeakPolarHBondContact CB-O 3.32Å; F189-I194 HydrophobicContact CD1-CB 3.84Å; F189-I194 HydrophobicContact CD1-CG2 3.79Å; F189-I194 HydrophobicContact CE1-CB 4.46Å; F189-I194 HydrophobicContact CE1-CG2 3.95Å; F189-I194 PolarHBondContact O-N 3.11Å; F189-M215 HydrophobicContact CE2-CE 4.29Å; F189-M215 HydrophobicContact CE2-SD 3.95Å; F189-M215 HydrophobicContact CZ-CE 4.41Å; F189-M215 HydrophobicContact CZ-SD 3.54Å; F189-M215 VanDerWaalsContact CZ-SD 3.54Å; F189-I217 HydrophobicContact CE1-CD1 3.51Å; F189-I217 HydrophobicContact CE1-CG1 3.81Å; F189-I217 HydrophobicContact CE1-CG2 4.16Å; F189-I217 HydrophobicContact CZ-CD1 3.58Å; F189-I217 HydrophobicContact CZ-CG1 3.95Å
190Q90.8Very high88.1Confident154 Ų15474.2 Ų74.272%0.7235%0.354SS*.Hα-helixtrans-62.3-43.3174.3-72.3173.7-1.500111.9N186 Q187 Y188N186-Q190 WeakPolarHBondContact O-CG 3.49Å; N186-Q190 PolarHBondContact O-N 3.12Å; Q187-Q190 PolarHBondContact O-N 2.86Å; Y188-Q190 PolarHBondContact O-N 2.97Å
191K89.4Confident87.2Confident152 Ų15274.9 Ų74.966%0.66136%0.359SS*.Hα-helixtrans-64.8-50178.9-178-176.3174.3-174.60112.6Q187 Y188 K193Q187-K191 WeakPolarHBondContact O-CB 3.39Å; Q187-K191 PolarHBondContact O-N 2.83Å; Y188-K191 PolarHBondContact O-N 3.36Å; K191-K193 VanDerWaalsContact C-N 3.31Å; K191-K193 PolarHBondContact O-N 3.16Å
192E88.2Confident86Confident31 Ų3177.7 Ų77.715%0.14537%0.372CS..Hα-helixtrans-85.5-3.1-174.6-64.6-62146.200113.7Y188 I194 K220 Q221Y188-E192 HydrophobicContact CD2-CG 4.06Å; Y188-E192 HydrophobicContact CE1-CG 4.14Å; Y188-E192 HydrophobicContact CE2-CG 3.61Å; Y188-E192 WeakPolarHBondContact O-CB 3.44Å; Y188-E192 PolarHBondContact O-N 2.81Å; E192-I194 HydrophobicContact CB-CD1 3.73Å; E192-I194 HydrophobicContact CB-CG1 3.89Å; E192-K220 PolarHBondContact O-NZ 2.81Å; E192-Q221 PolarHBondContact OE1-NE2 2.99Å; E192-Q221 VanDerWaalsContact OE1-NE2 3.16Å
193K87.4Confident84.6Confident190 Ų19075.4 Ų75.483%0.82636%0.363SS*.THydrogen-bonded Turntrans54.652.4-174.5-57-178.7-177.9179.90112F189 K191F189-K193 WeakPolarHBondContact O-CA 3.27Å; F189-K193 PolarHBondContact O-N 2.91Å; K191-K193 VanDerWaalsContact C-N 3.31Å; K191-K193 PolarHBondContact O-N 3.16Å
194I87Confident82.6Confident37 Ų3773.5 Ų73.519%0.1935%0.349CS..  trans-106.4135.3177.3-62172.9000108.1Y188 F189 E192 I217Y188-I194 HydrophobicContact CE1-CD1 4.14Å; F189-I194 WeakPolarHBondContact CB-O 3.32Å; F189-I194 HydrophobicContact CD1-CB 3.84Å; F189-I194 HydrophobicContact CD1-CG2 3.79Å; F189-I194 HydrophobicContact CE1-CB 4.46Å; F189-I194 HydrophobicContact CE1-CG2 3.95Å; F189-I194 PolarHBondContact O-N 3.11Å; E192-I194 HydrophobicContact CB-CD1 3.73Å; E192-I194 HydrophobicContact CB-CG1 3.89Å; I194-I217 HydrophobicContact CD1-CG2 3.98Å
195Q80.4Confident80.3Confident199 Ų19973.3 Ų73.393%0.9335%0.351SS*.  trans-90.2115.5164-72.4179.4-21.600108
196G78Confident77.8Confident31 Ų3176.3 Ų76.332%0.3237%0.367SS..  trans-106.1112.9174.900000110.2
197E85.9Confident75.6Confident171 Ų17177.7 Ų77.780%0.79937%0.371SS*.  trans-107.3136.5174.7-173.1169-163.500110.1M215E197-M215 VanDerWaalsContact C-CE 3.47Å; E197-M215 WeakPolarHBondContact O-CE 3.43Å
198Y87.8Confident73.7Confident30 Ų3073.8 Ų73.812%0.11835%0.353CS..  trans-90.2118174.6-64-92000108.5Y200 A213 M215 A239 C242 A243Y198-Y200 WeakPolarHBondContact O-CD2 3.43Å; Y198-Y200 WeakPolarHBondContact O-CE2 3.31Å; Y198-A213 HydrophobicContact CD1-CB 4.25Å; Y198-M215 HydrophobicContact CD1-CE 3.66Å; Y198-M215 HydrophobicContact CD2-CE 3.55Å; Y198-M215 HydrophobicContact CE1-CE 3.62Å; Y198-M215 HydrophobicContact CE1-SD 4.34Å; Y198-M215 HydrophobicContact CE2-CE 3.49Å; Y198-M215 VanDerWaalsContact CE2-CE 3.49Å; Y198-M215 HydrophobicContact CG-CE 3.63Å; Y198-A239 HydrophobicContact CD1-CB 3.8Å; Y198-A239 HydrophobicContact CD2-CB 4.42Å; Y198-A239 HydrophobicContact CE1-CB 3.87Å; Y198-A239 WeakPolarHBondContact CE1-O 3.43Å; Y198-A239 HydrophobicContact CG-CB 4.09Å; Y198-C242 HydrophobicContact CD1-CB 4.26Å; Y198-C242 HydrophobicContact CE1-CB 4.1Å; Y198-A243 WeakPolarHBondContact OH-CB 3.29Å
199K84.9Confident72.3Confident120 Ų12078.1 Ų78.152%0.52237%0.37SS..EExtended strand (participates in β ladder)trans-80.6127166.6175-176.9168-130.20108.2A213 E214K199-A213 CarbonylContact O-C 3.49Å; K199-A213 WeakPolarHBondContact O-CA 3.39Å; K199-E214 HydrophobicContact CB-CB 4.28Å; K199-E214 WeakPolarHBondContact CD-OE2 3.4Å; K199-E214 WeakPolarHBondContact CE-OE2 3.31Å; K199-E214 PolarHBondContact N-O 3.18Å; K199-E214 IonicContact NZ-OE2 3.86Å; K199-E214 PolarHBondContact NZ-OE2 2.98Å; K199-E214 PolarHBondContact O-N 3.29Å
200Y79.3Confident71.3Confident86 Ų8677.4 Ų77.434%0.33737%0.367SS..EExtended strand (participates in β ladder)trans-107.8131.4179.3-62.6-80.5000111.8Y198 I212 A213 K235 A239Y198-Y200 WeakPolarHBondContact O-CD2 3.43Å; Y198-Y200 WeakPolarHBondContact O-CE2 3.31Å; Y200-I212 CarbonylContact C-O 3.18Å; Y200-I212 VanDerWaalsContact CA-O 3.28Å; Y200-I212 WeakPolarHBondContact CA-O 3.45Å; Y200-A213 HydrophobicContact CD1-CB 3.87Å; Y200-A213 HydrophobicContact CE1-CB 3.79Å; Y200-K235 HydrophobicContact CD1-CB 4.13Å; Y200-K235 HydrophobicContact CD1-CG 4.17Å; Y200-K235 HydrophobicContact CE1-CB 3.92Å; Y200-K235 HydrophobicContact CE1-CG 4.44Å; Y200-K235 VanDerWaalsContact CE1-O 3.26Å; Y200-K235 WeakPolarHBondContact CE1-O 3.33Å; Y200-K235 HydrophobicContact CG-CD 4.5Å; Y200-K235 HydrophobicContact CG-CG 4.35Å; Y200-A239 HydrophobicContact CE1-CB 3.98Å; Y200-A239 WeakPolarHBondContact OH-CB 3.4Å
201T70.3Confident70.5Confident32 Ų3270.9 Ų70.920%0.19634%0.336CS..EExtended strand (participates in β ladder)trans-112.6127.4167.1-58.40000108.9V203 F211 I212 E786T201-V203 HydrophobicContact CG2-CG2 4.44Å; T201-F211 CarbonylContact O-C 3.39Å; T201-F211 WeakPolarHBondContact O-CA 3.11Å; T201-I212 PolarHBondContact N-O 3.38Å; T201-I212 PolarHBondContact O-N 2.78Å; T201-E786 WeakPolarHBondContact CG2-OE1 3.3Å; T201-E786 PolarHBondContact OG1-OE1 2.99Å
202Q65.1Low69.9Low60 Ų6064.3 Ų64.328%0.2831%0.308SS..EExtended strand (participates in β ladder)trans-80.4140.5173.5177171.2-38.300111.7R209 F211Q202-R209 HydrophobicContact CG-CG 4.31Å; Q202-F211 HydrophobicContact CB-CD1 4.23Å; Q202-F211 HydrophobicContact CB-CE1 4.22Å; Q202-F211 HydrophobicContact CG-CE1 4.35Å
203V60.8Low69.8Low11 Ų1162.9 Ų62.97%0.06730%0.301CS..EExtended strand (participates in β ladder)trans-138.7130.1-171.3-173.70000110.2T201 S210 I212 A749 V751T201-V203 HydrophobicContact CG2-CG2 4.44Å; V203-S210 PolarHBondContact N-O 3.02Å; V203-S210 CarbonylContact O-C 3.51Å; V203-S210 WeakPolarHBondContact O-CA 3.4Å; V203-S210 PolarHBondContact O-N 2.91Å; V203-S210 VanDerWaalsContact O-O 3.04Å; V203-S210 PolarHBondContact O-OG 3.33Å; V203-I212 HydrophobicContact CG2-CB 4.45Å; V203-I212 HydrophobicContact CG2-CD1 3.7Å; V203-I212 HydrophobicContact CG2-CG1 3.75Å; V203-A749 HydrophobicContact CG1-CB 3.72Å; V203-V751 HydrophobicContact CG1-CG1 3.44Å; V203-V751 VanDerWaalsContact CG1-CG1 3.44Å
204G49.7Very low69.7Low14 Ų1454.7 Ų54.714%0.14427%0.266CS..SBendtrans95.1157.2178.500000115.3T750G204-T750 VanDerWaalsContact CA-O 3.26Å; G204-T750 WeakPolarHBondContact CA-O 3.34Å; G204-T750 PolarHBondContact N-O 3.29Å
205P44.3Very low69.8Low21 Ų2153.2 Ų53.214%0.13626%0.258CS..  trans-71.9156.9171.333-35.9000110.9H207 N208 R209 K630P205-H207 VanDerWaalsContact C-N 3.3Å; P205-H207 PolarHBondContact O-N 3.39Å; P205-N208 CarbonylContact O-C 3.46Å; P205-N208 WeakPolarHBondContact O-CA 3.34Å; P205-N208 PolarHBondContact O-N 3.37Å; P205-R209 PolarHBondContact O-N 3.41Å; P205-K630 HydrophobicContact CB-CB 4.12Å
206D40.2Very low70.1Confident63 Ų6347.6 Ų47.634%0.33724%0.238SC..G310 helixtrans-47.4-46.6-171.2-69.5-29000114.9N208 R209 K630D206-N208 PolarHBondContact O-N 3.4Å; D206-R209 WeakPolarHBondContact O-CB 3.43Å; D206-R209 PolarHBondContact O-N 3.14Å; D206-K630 HydrophobicContact CB-CD 4.42Å; D206-K630 VanDerWaalsContact CG-CD 3.44Å; D206-K630 WeakPolarHBondContact OD1-CD 3.35Å; D206-K630 WeakPolarHBondContact OD1-CE 3.3Å; D206-K630 IonicContact OD1-NZ 3.7Å; D206-K630 PolarHBondContact OD1-NZ 3.44Å; D206-K630 WeakPolarHBondContact OD2-CD 3.34Å; D206-K630 WeakPolarHBondContact OD2-CE 3.43Å; D206-K630 IonicContact OD2-NZ 3.13Å; D206-K630 PolarHBondContact OD2-NZ 2.81Å
207H45.2Very low70.7Confident101 Ų10146.3 Ų46.347%0.46822%0.223SC..G310 helixtrans-69.11.1-17966.6-110.4000114.6P205 R1052P205-H207 VanDerWaalsContact C-N 3.3Å; P205-H207 PolarHBondContact O-N 3.39Å; H207-R1052 PolarHBondContact CD2-NE 3.07Å; H207-R1052 PolarHBondContact CD2-NH2 2.91Å; H207-R1052 WeakPolarHBondContact O-CD 3.4Å; H207-R1052 VanDerWaalsContact O-CG 3.31Å; H207-R1052 WeakPolarHBondContact O-CG 3.46Å
208N50.5Low70.7Confident27 Ų2743.6 Ų43.614%0.14421%0.207CC..G310 helixtrans-150.139170.1-169.723.4000109.2P205 D206 R1050 T1051P205-N208 CarbonylContact O-C 3.46Å; P205-N208 WeakPolarHBondContact O-CA 3.34Å; P205-N208 PolarHBondContact O-N 3.37Å; D206-N208 PolarHBondContact O-N 3.4Å; N208-R1050 PolarHBondContact OD1-NH2 2.98Å; N208-T1051 PolarHBondContact OD1-O 2.86Å
209R61.8Low70.8Confident95 Ų9542.2 Ų42.236%0.35820%0.201SC..  trans-61144.9-178.1-169.4175-177.8-174.22.9109.5Q202 P205 D206 F211Q202-R209 HydrophobicContact CG-CG 4.31Å; P205-R209 PolarHBondContact O-N 3.41Å; D206-R209 WeakPolarHBondContact O-CB 3.43Å; D206-R209 PolarHBondContact O-N 3.14Å; R209-F211 HydrophobicContact CG-CE2 4.11Å; R209-F211 HydrophobicContact CG-CZ 4.29Å
210S69.7Low70.8Confident0 Ų042.1 Ų42.10%020%0.201CC..EExtended strand (participates in β ladder)trans-157.2171.5176.357.70000110.4V203 H231 G232V203-S210 PolarHBondContact N-O 3.02Å; V203-S210 CarbonylContact O-C 3.51Å; V203-S210 WeakPolarHBondContact O-CA 3.4Å; V203-S210 PolarHBondContact O-N 2.91Å; V203-S210 VanDerWaalsContact O-O 3.04Å; V203-S210 PolarHBondContact O-OG 3.33Å; S210-H231 VanDerWaalsContact CB-CE1 3.4Å; S210-H231 WeakPolarHBondContact CB-CE1 3.46Å; S210-H231 WeakPolarHBondContact CB-NE2 3.29Å; S210-H231 PolarHBondContact OG-CE1 2.96Å; S210-H231 PolarHBondContact OG-NE2 3.31Å; S210-G232 CarbonylContact C-O 3.57Å; S210-G232 WeakPolarHBondContact CA-O 3.45Å; S210-G232 VanDerWaalsContact CB-O 3.28Å; S210-G232 WeakPolarHBondContact CB-O 3.3Å
211F74.9Confident71.2Confident17 Ų1743 Ų438%0.07521%0.208CC..EExtended strand (participates in β ladder)trans-136.7147.1-175.6-60-98.3000109.2T201 Q202 R209 H231 G232 N234 K235 A238T201-F211 CarbonylContact O-C 3.39Å; T201-F211 WeakPolarHBondContact O-CA 3.11Å; Q202-F211 HydrophobicContact CB-CD1 4.23Å; Q202-F211 HydrophobicContact CB-CE1 4.22Å; Q202-F211 HydrophobicContact CG-CE1 4.35Å; R209-F211 HydrophobicContact CG-CE2 4.11Å; R209-F211 HydrophobicContact CG-CZ 4.29Å; F211-H231 WeakPolarHBondContact O-CA 3.46Å; F211-G232 PolarHBondContact N-O 2.85Å; F211-G232 PolarHBondContact O-N 3.47Å; F211-N234 VanDerWaalsContact CD2-C 3.47Å; F211-K235 HydrophobicContact CD1-CG 3.51Å; F211-K235 HydrophobicContact CD2-CG 4.42Å; F211-K235 HydrophobicContact CE1-CD 4.28Å; F211-K235 HydrophobicContact CE1-CG 3.57Å; F211-K235 HydrophobicContact CE2-CG 4.46Å; F211-K235 HydrophobicContact CG-CG 3.94Å; F211-K235 HydrophobicContact CZ-CG 4.05Å; F211-A238 HydrophobicContact CB-CB 4.09Å; F211-A238 WeakPolarHBondContact O-CB 3.42Å
212I76.7Confident71.8Confident15 Ų1545.1 Ų45.18%0.07722%0.218CC..EExtended strand (participates in β ladder)trans-103.3139.1162.5-68.5174000106.9Y200 T201 V203 E214 R229 E230Y200-I212 CarbonylContact C-O 3.18Å; Y200-I212 VanDerWaalsContact CA-O 3.28Å; Y200-I212 WeakPolarHBondContact CA-O 3.45Å; T201-I212 PolarHBondContact N-O 3.38Å; T201-I212 PolarHBondContact O-N 2.78Å; V203-I212 HydrophobicContact CG2-CB 4.45Å; V203-I212 HydrophobicContact CG2-CD1 3.7Å; V203-I212 HydrophobicContact CG2-CG1 3.75Å; I212-E214 HydrophobicContact CG2-CG 4.08Å; I212-R229 HydrophobicContact CG2-CG 3.46Å; I212-R229 VanDerWaalsContact CG2-CG 3.46Å; I212-E230 CarbonylContact C-O 3.57Å; I212-E230 WeakPolarHBondContact CA-O 3.37Å
213A84.9Confident72.7Confident0 Ų044.8 Ų44.80%023%0.23CC..EExtended strand (participates in β ladder)trans-115.8131.9167.200000109.5Y198 K199 Y200 R229 E230 A238 A239 C242Y198-A213 HydrophobicContact CD1-CB 4.25Å; K199-A213 CarbonylContact O-C 3.49Å; K199-A213 WeakPolarHBondContact O-CA 3.39Å; Y200-A213 HydrophobicContact CD1-CB 3.87Å; Y200-A213 HydrophobicContact CE1-CB 3.79Å; A213-R229 WeakPolarHBondContact O-CA 3.3Å; A213-E230 PolarHBondContact N-O 3.02Å; A213-E230 PolarHBondContact O-N 3.24Å; A213-A238 VanDerWaalsContact CB-C 3.47Å; A213-A238 HydrophobicContact CB-CB 3.86Å; A213-A238 WeakPolarHBondContact CB-O 3.25Å; A213-A239 HydrophobicContact CB-CB 4.41Å; A213-C242 HydrophobicContact CB-CB 3.94Å
214E85.9Confident73.8Confident19 Ų1949.2 Ų49.29%0.08925%0.246CC..EExtended strand (participates in β ladder)trans-118.9141.8179.7-63.9-174.7123.100110.5K199 I212 F227 A228 R229K199-E214 HydrophobicContact CB-CB 4.28Å; K199-E214 WeakPolarHBondContact CD-OE2 3.4Å; K199-E214 WeakPolarHBondContact CE-OE2 3.31Å; K199-E214 PolarHBondContact N-O 3.18Å; K199-E214 IonicContact NZ-OE2 3.86Å; K199-E214 PolarHBondContact NZ-OE2 2.98Å; K199-E214 PolarHBondContact O-N 3.29Å; I212-E214 HydrophobicContact CG2-CG 4.08Å; E214-F227 HydrophobicContact CB-CE2 4.2Å; E214-F227 HydrophobicContact CG-CZ 4.41Å; E214-A228 WeakPolarHBondContact CA-O 3.24Å; E214-R229 HydrophobicContact CG-CB 4.06Å; E214-R229 HydrophobicContact CG-CG 3.76Å; E214-R229 WeakPolarHBondContact OE1-CD 3.4Å; E214-R229 IonicContact OE1-CZ 2.75Å; E214-R229 IonicContact OE1-NE 2.8Å; E214-R229 PolarHBondContact OE1-NE 3.36Å; E214-R229 IonicContact OE1-NH1 2.71Å; E214-R229 PolarHBondContact OE1-NH1 3.47Å
215M88.6Confident75.4Confident6 Ų657.4 Ų57.43%0.0327%0.272CS..EExtended strand (participates in β ladder)trans-155.7136.9172.2177.5-178.3-73.300111.4L185 F189 E197 Y198 I217 F227 A228 L246L185-M215 HydrophobicContact CD2-SD 4.29Å; F189-M215 HydrophobicContact CE2-CE 4.29Å; F189-M215 HydrophobicContact CE2-SD 3.95Å; F189-M215 HydrophobicContact CZ-CE 4.41Å; F189-M215 HydrophobicContact CZ-SD 3.54Å; F189-M215 VanDerWaalsContact CZ-SD 3.54Å; E197-M215 VanDerWaalsContact C-CE 3.47Å; E197-M215 WeakPolarHBondContact O-CE 3.43Å; Y198-M215 HydrophobicContact CD1-CE 3.66Å; Y198-M215 HydrophobicContact CD2-CE 3.55Å; Y198-M215 HydrophobicContact CE1-CE 3.62Å; Y198-M215 HydrophobicContact CE1-SD 4.34Å; Y198-M215 HydrophobicContact CE2-CE 3.49Å; Y198-M215 VanDerWaalsContact CE2-CE 3.49Å; Y198-M215 HydrophobicContact CG-CE 3.63Å; M215-I217 HydrophobicContact CG-CG1 4.15Å; M215-I217 HydrophobicContact SD-CD1 4.26Å; M215-I217 HydrophobicContact SD-CG1 4.24Å; M215-F227 WeakPolarHBondContact O-CA 3.34Å; M215-F227 WeakPolarHBondContact O-CD2 3.18Å; M215-A228 PolarHBondContact N-O 3.18Å; M215-A228 PolarHBondContact O-N 3.07Å; M215-A228 VanDerWaalsContact O-N 3.08Å; M215-L246 HydrophobicContact CB-CD1 3.92Å; M215-L246 HydrophobicContact CG-CD1 3.94Å; M215-L246 HydrophobicContact SD-CD1 3.68Å
216T87.7Confident77.4Confident81 Ų8156.7 Ų56.750%0.49727%0.267SS..EExtended strand (participates in β ladder)trans-116128175-52.70000109.7R225 I226 F227T216-R225 HydrophobicContact CG2-CB 4.07Å; T216-R225 HydrophobicContact CG2-CG 4.4Å; T216-I226 CarbonylContact C-O 3.47Å; T216-I226 WeakPolarHBondContact CA-O 3.4Å; T216-F227 WeakPolarHBondContact OG1-CD2 3.35Å
217I89.8Confident79.6Confident3 Ų356.6 Ų56.62%0.01526%0.264CS..EExtended strand (participates in β ladder)trans-119.8135.5-180-54.7168.1000109.4L185 Y188 F189 I194 M215 R225 I226 L246L185-I217 HydrophobicContact CD1-CD1 3.83Å; Y188-I217 HydrophobicContact CE1-CG2 4.44Å; F189-I217 HydrophobicContact CE1-CD1 3.51Å; F189-I217 HydrophobicContact CE1-CG1 3.81Å; F189-I217 HydrophobicContact CE1-CG2 4.16Å; F189-I217 HydrophobicContact CZ-CD1 3.58Å; F189-I217 HydrophobicContact CZ-CG1 3.95Å; I194-I217 HydrophobicContact CD1-CG2 3.98Å; M215-I217 HydrophobicContact CG-CG1 4.15Å; M215-I217 HydrophobicContact SD-CD1 4.26Å; M215-I217 HydrophobicContact SD-CG1 4.24Å; I217-R225 CarbonylContact O-C 3.48Å; I217-R225 VanDerWaalsContact O-CA 3.24Å; I217-R225 WeakPolarHBondContact O-CA 3.26Å; I217-I226 HydrophobicContact CB-CG1 4.02Å; I217-I226 HydrophobicContact CD1-CD1 4.46Å; I217-I226 PolarHBondContact N-O 3.23Å; I217-I226 PolarHBondContact O-N 2.69Å; I217-L246 HydrophobicContact CD1-CB 4.27Å; I217-L246 HydrophobicContact CD1-CD1 3.87Å; I217-L246 HydrophobicContact CD1-CD2 4.06Å; I217-L246 HydrophobicContact CD1-CG 4.26Å
218Y87.7Confident81.4Confident115 Ų11551.8 Ų51.845%0.45124%0.241SC..EExtended strand (participates in β ladder)trans-92.2119.1169-178-109.7000111.3K220 R224 R225Y218-K220 HydrophobicContact CD1-CG 4.18Å; Y218-K220 HydrophobicContact CE1-CG 4.16Å; Y218-K220 PolarHBondContact O-N 3.11Å; Y218-R224 WeakPolarHBondContact CD2-O 3.37Å; Y218-R225 HydrophobicContact CD2-CG 3.8Å
219I88.3Confident82.9Confident0 Ų052.4 Ų52.40%024%0.242CC..EExtended strand (participates in β ladder)trans-91.799.4178.5-54173.8000108.7Q221 L222 G223 R224 I226 L250 L253 V255I219-Q221 HydrophobicContact CG2-CB 4.24Å; I219-Q221 PolarHBondContact O-N 3.1Å; I219-L222 HydrophobicContact CB-CB 4.34Å; I219-L222 HydrophobicContact CD1-CD1 4.24Å; I219-L222 HydrophobicContact CG2-CB 3.97Å; I219-L222 HydrophobicContact CG2-CD1 4.06Å; I219-L222 HydrophobicContact CG2-CG 3.9Å; I219-L222 PolarHBondContact O-N 3.17Å; I219-L222 VanDerWaalsContact O-N 3.09Å; I219-G223 PolarHBondContact O-N 2.84Å; I219-R224 PolarHBondContact N-O 3.19Å; I219-I226 HydrophobicContact CD1-CB 4.39Å; I219-I226 HydrophobicContact CD1-CD1 3.99Å; I219-I226 HydrophobicContact CD1-CG1 3.96Å; I219-I226 HydrophobicContact CD1-CG2 3.58Å; I219-I226 HydrophobicContact CG1-CD1 4.5Å; I219-I226 HydrophobicContact CG1-CG1 4.22Å; I219-I226 HydrophobicContact CG1-CG2 4.47Å; I219-L250 HydrophobicContact CD1-CD2 3.59Å; I219-L250 HydrophobicContact CG1-CD2 4.04Å; I219-L253 HydrophobicContact CD1-CD1 3.94Å; I219-V255 HydrophobicContact CG2-CG1 4.48Å; I219-V255 HydrophobicContact CG2-CG2 4.15Å
220K85.4Confident83.8Confident118 Ų11849.9 Ų49.951%0.51323%0.234SC..G310 helixtrans-52.8-40.6179-65.8169.5-176.4163.80112.9E192 Y218 L222E192-K220 PolarHBondContact O-NZ 2.81Å; Y218-K220 HydrophobicContact CD1-CG 4.18Å; Y218-K220 HydrophobicContact CE1-CG 4.16Å; Y218-K220 PolarHBondContact O-N 3.11Å; K220-L222 PolarHBondContact O-N 2.91Å
221Q87.4Confident84.2Confident105 Ų10550.6 Ų50.649%0.49124%0.237SC..G310 helixtrans-65.1-24.1-177.6-59.7172.913.700113.6E192 I219E192-Q221 PolarHBondContact OE1-NE2 2.99Å; E192-Q221 VanDerWaalsContact OE1-NE2 3.16Å; I219-Q221 HydrophobicContact CG2-CB 4.24Å; I219-Q221 PolarHBondContact O-N 3.1Å
222L84.2Confident84.2Confident77 Ų7749.9 Ų49.940%0.40324%0.235SC..G310 helixtrans-118.51.3-174.5-62179.9000113.3I219 K220 R224 L253 V255I219-L222 HydrophobicContact CB-CB 4.34Å; I219-L222 HydrophobicContact CD1-CD1 4.24Å; I219-L222 HydrophobicContact CG2-CB 3.97Å; I219-L222 HydrophobicContact CG2-CD1 4.06Å; I219-L222 HydrophobicContact CG2-CG 3.9Å; I219-L222 PolarHBondContact O-N 3.17Å; I219-L222 VanDerWaalsContact O-N 3.09Å; K220-L222 PolarHBondContact O-N 2.91Å; L222-R224 HydrophobicContact CB-CG 3.77Å; L222-R224 PolarHBondContact O-N 3.24Å; L222-R224 VanDerWaalsContact O-N 3.08Å; L222-L253 HydrophobicContact CD1-CB 3.86Å; L222-L253 HydrophobicContact CD1-CD1 4.12Å; L222-L253 HydrophobicContact CD1-CD2 4.36Å; L222-L253 HydrophobicContact CD1-CG 4.34Å; L222-V255 HydrophobicContact CD1-CG2 3.66Å; L222-V255 HydrophobicContact CG-CG2 4.26Å
223G83.9Confident84.1Confident52 Ų5250.2 Ų50.254%0.53624%0.239SC..THydrogen-bonded Turntrans6214.2-179.300000115.6I219I219-G223 PolarHBondContact O-N 2.84Å
224R82.9Confident83.9Confident105 Ų10552.4 Ų52.440%0.39625%0.25SS..EExtended strand (participates in β ladder)trans-126.3156.5-171.463.6178.7-84.4-178.4-7112.9Y218 I219 L222Y218-R224 WeakPolarHBondContact CD2-O 3.37Å; I219-R224 PolarHBondContact N-O 3.19Å; L222-R224 HydrophobicContact CB-CG 3.77Å; L222-R224 PolarHBondContact O-N 3.24Å; L222-R224 VanDerWaalsContact O-N 3.08Å
225R83.8Confident83.8Confident186 Ų18654.9 Ų54.970%0.70226%0.261SS*.EExtended strand (participates in β ladder)trans-85.9152.4163-64.4-177.6-179.8-179.7-0.4110.2T216 I217 Y218T216-R225 HydrophobicContact CG2-CB 4.07Å; T216-R225 HydrophobicContact CG2-CG 4.4Å; I217-R225 CarbonylContact O-C 3.48Å; I217-R225 VanDerWaalsContact O-CA 3.24Å; I217-R225 WeakPolarHBondContact O-CA 3.26Å; Y218-R225 HydrophobicContact CD2-CG 3.8Å
226I86.1Confident83.7Confident6 Ų660.9 Ų60.93%0.03129%0.287CS..EExtended strand (participates in β ladder)trans-123.7153.916259.5163.2000108.6T216 I217 I219 L246 Q249 L250 L253T216-I226 CarbonylContact C-O 3.47Å; T216-I226 WeakPolarHBondContact CA-O 3.4Å; I217-I226 HydrophobicContact CB-CG1 4.02Å; I217-I226 HydrophobicContact CD1-CD1 4.46Å; I217-I226 PolarHBondContact N-O 3.23Å; I217-I226 PolarHBondContact O-N 2.69Å; I219-I226 HydrophobicContact CD1-CB 4.39Å; I219-I226 HydrophobicContact CD1-CD1 3.99Å; I219-I226 HydrophobicContact CD1-CG1 3.96Å; I219-I226 HydrophobicContact CD1-CG2 3.58Å; I219-I226 HydrophobicContact CG1-CD1 4.5Å; I219-I226 HydrophobicContact CG1-CG1 4.22Å; I219-I226 HydrophobicContact CG1-CG2 4.47Å; I226-L246 HydrophobicContact CD1-CD2 3.79Å; I226-L246 HydrophobicContact CG1-CD2 4.06Å; I226-Q249 HydrophobicContact CD1-CB 4.46Å; I226-L250 HydrophobicContact CD1-CD2 3.95Å; I226-L250 HydrophobicContact CD1-CG 3.86Å; I226-L253 HydrophobicContact CG2-CD1 3.83Å
227F85.4Confident83.5Confident60 Ų6057.3 Ų57.326%0.26327%0.265SS..EExtended strand (participates in β ladder)trans-136.6145.7-176174.4-114.8000109.5E214 M215 T216 R229 Q249 F794E214-F227 HydrophobicContact CB-CE2 4.2Å; E214-F227 HydrophobicContact CG-CZ 4.41Å; M215-F227 WeakPolarHBondContact O-CA 3.34Å; M215-F227 WeakPolarHBondContact O-CD2 3.18Å; T216-F227 WeakPolarHBondContact OG1-CD2 3.35Å; F227-R229 HydrophobicContact CE1-CB 3.73Å; F227-R229 HydrophobicContact CZ-CB 3.63Å; F227-Q249 PolarHBondContact O-NE2 2.99Å; F227-F794 HydrophobicContact CD1-CD1 4.25Å; F227-F794 AromaticContact CD1-CE1 3.77Å; F227-F794 HydrophobicContact CD1-CE1 3.77Å; F227-F794 HydrophobicContact CD1-CZ 4.42Å; F227-F794 HydrophobicContact CE1-CD1 4.28Å; F227-F794 HydrophobicContact CE1-CE1 4.16Å
228A84.3Confident83.2Confident0 Ų057.2 Ų57.20%026%0.264CS..EExtended strand (participates in β ladder)trans-138.5141.6163.600000110E214 M215 L246E214-A228 WeakPolarHBondContact CA-O 3.24Å; M215-A228 PolarHBondContact N-O 3.18Å; M215-A228 PolarHBondContact O-N 3.07Å; M215-A228 VanDerWaalsContact O-N 3.08Å; A228-L246 HydrophobicContact CB-CD1 4.18Å; A228-L246 HydrophobicContact CB-CD2 3.73Å; A228-L246 HydrophobicContact CB-CG 3.57Å
229R82Confident83.2Confident41 Ų4151.7 Ų51.716%0.15524%0.242CC..EExtended strand (participates in β ladder)trans-133.8110.3173.8175.2171.4-170.5146.6-2.4107.5I212 A213 E214 F227 E786 T790I212-R229 HydrophobicContact CG2-CG 3.46Å; I212-R229 VanDerWaalsContact CG2-CG 3.46Å; A213-R229 WeakPolarHBondContact O-CA 3.3Å; E214-R229 HydrophobicContact CG-CB 4.06Å; E214-R229 HydrophobicContact CG-CG 3.76Å; E214-R229 WeakPolarHBondContact OE1-CD 3.4Å; E214-R229 IonicContact OE1-CZ 2.75Å; E214-R229 IonicContact OE1-NE 2.8Å; E214-R229 PolarHBondContact OE1-NE 3.36Å; E214-R229 IonicContact OE1-NH1 2.71Å; E214-R229 PolarHBondContact OE1-NH1 3.47Å; F227-R229 HydrophobicContact CE1-CB 3.73Å; F227-R229 HydrophobicContact CZ-CB 3.63Å; R229-E786 IonicContact NH2-OE1 2.68Å; R229-E786 PolarHBondContact NH2-OE1 2.81Å; R229-E786 IonicContact NH2-OE2 2.68Å; R229-E786 PolarHBondContact NH2-OE2 3.07Å; R229-T790 PolarHBondContact NE-OG1 3.26Å; R229-T790 PolarHBondContact NH1-OG1 3.32Å; R229-T790 PolarHBondContact NH2-OG1 2.6Å
230E80.9Confident83.3Confident41 Ų4152.8 Ų52.819%0.19225%0.247CC..EExtended strand (participates in β ladder)trans-131.8150.8-170.3-78.2-64.8166.400113.2I212 A213 C242I212-E230 CarbonylContact C-O 3.57Å; I212-E230 WeakPolarHBondContact CA-O 3.37Å; A213-E230 PolarHBondContact N-O 3.02Å; A213-E230 PolarHBondContact O-N 3.24Å; E230-C242 HydrophobicContact CB-CB 4.06Å
231H77.8Confident83.4Confident15 Ų1547.4 Ų47.47%0.06923%0.225CC..EExtended strand (participates in β ladder)trans-105147.4-173.8-175.3-89.9000112.3S210 F211 N747S210-H231 VanDerWaalsContact CB-CE1 3.4Å; S210-H231 WeakPolarHBondContact CB-CE1 3.46Å; S210-H231 WeakPolarHBondContact CB-NE2 3.29Å; S210-H231 PolarHBondContact OG-CE1 2.96Å; S210-H231 PolarHBondContact OG-NE2 3.31Å; F211-H231 WeakPolarHBondContact O-CA 3.46Å; H231-N747 PolarHBondContact CE1-ND2 3.39Å; H231-N747 PolarHBondContact NE2-ND2 2.92Å
232G74.8Confident83.5Confident2 Ų242.4 Ų42.42%0.02120%0.202CC..EExtended strand (participates in β ladder)trans-161.216417000000112.9S210 F211 N234S210-G232 CarbonylContact C-O 3.57Å; S210-G232 WeakPolarHBondContact CA-O 3.45Å; S210-G232 VanDerWaalsContact CB-O 3.28Å; S210-G232 WeakPolarHBondContact CB-O 3.3Å; F211-G232 PolarHBondContact N-O 2.85Å; F211-G232 PolarHBondContact O-N 3.47Å; G232-N234 VanDerWaalsContact C-N 3.26Å; G232-N234 PolarHBondContact O-N 3.21Å
233S74.3Confident83.9Confident23 Ų2338.8 Ų38.816%0.16118%0.182CC..SBendtrans-62.4-26.8177.552.40000114.5L161 E164L161-S233 WeakPolarHBondContact CD2-OG 3.34Å; E164-S233 WeakPolarHBondContact OE1-CB 3.12Å; E164-S233 WeakPolarHBondContact OE2-CB 3.38Å; E164-S233 PolarHBondContact OE2-N 3.24Å; E164-S233 PolarHBondContact OE2-OG 3.49Å
234N80.9Confident84.2Confident46 Ų4636.5 Ų36.525%0.24616%0.158CC..SBendtrans-138.9161.9-179.663.163.7000111.8L161 F211 G232 K236 L237 A238L161-N234 WeakPolarHBondContact CD2-ND2 3.46Å; F211-N234 VanDerWaalsContact CD2-C 3.47Å; G232-N234 VanDerWaalsContact C-N 3.26Å; G232-N234 PolarHBondContact O-N 3.21Å; N234-K236 PolarHBondContact O-N 3.47Å; N234-K236 WeakPolarHBondContact OD1-CA 3.35Å; N234-K236 VanDerWaalsContact OD1-CB 3.31Å; N234-K236 WeakPolarHBondContact OD1-CB 3.4Å; N234-K236 PolarHBondContact OD1-N 2.78Å; N234-K236 VanDerWaalsContact OD1-N 3.11Å; N234-L237 PolarHBondContact O-N 2.91Å; N234-L237 PolarHBondContact OD1-N 3.5Å; N234-A238 PolarHBondContact O-N 3.14Å
235K82.9Confident84.5Confident71 Ų7131.6 Ų31.631%0.30914%0.14SC..Hα-helixtrans-50.9-40.6178.9-68.3-174.6-176.4176.70111.6Y200 F211 A239 D603Y200-K235 HydrophobicContact CD1-CB 4.13Å; Y200-K235 HydrophobicContact CD1-CG 4.17Å; Y200-K235 HydrophobicContact CE1-CB 3.92Å; Y200-K235 HydrophobicContact CE1-CG 4.44Å; Y200-K235 VanDerWaalsContact CE1-O 3.26Å; Y200-K235 WeakPolarHBondContact CE1-O 3.33Å; Y200-K235 HydrophobicContact CG-CD 4.5Å; Y200-K235 HydrophobicContact CG-CG 4.35Å; F211-K235 HydrophobicContact CD1-CG 3.51Å; F211-K235 HydrophobicContact CD2-CG 4.42Å; F211-K235 HydrophobicContact CE1-CD 4.28Å; F211-K235 HydrophobicContact CE1-CG 3.57Å; F211-K235 HydrophobicContact CE2-CG 4.46Å; F211-K235 HydrophobicContact CG-CG 3.94Å; F211-K235 HydrophobicContact CZ-CG 4.05Å; K235-A239 WeakPolarHBondContact O-CB 3.35Å; K235-A239 PolarHBondContact O-N 2.91Å; K235-D603 PolarHBondContact NZ-O 3Å; K235-D603 VanDerWaalsContact NZ-O 3.12Å
236K86.6Confident84.9Confident132 Ų13222.8 Ų22.857%0.57411%0.107SC*.Hα-helixtrans-63.8-50.4-178.6-179.3-163.3170.8-163.50112N234 A239 Q240N234-K236 PolarHBondContact O-N 3.47Å; N234-K236 WeakPolarHBondContact OD1-CA 3.35Å; N234-K236 VanDerWaalsContact OD1-CB 3.31Å; N234-K236 WeakPolarHBondContact OD1-CB 3.4Å; N234-K236 PolarHBondContact OD1-N 2.78Å; N234-K236 VanDerWaalsContact OD1-N 3.11Å; K236-A239 PolarHBondContact O-N 2.93Å; K236-Q240 VanDerWaalsContact CE-OE1 3.28Å; K236-Q240 WeakPolarHBondContact O-CG 3.42Å; K236-Q240 PolarHBondContact O-N 2.88Å
237L83.5Confident85.2Confident6 Ų622.5 Ų22.53%0.03111%0.105CC..Hα-helixtrans-66.9-44.1179.5-79175.2000111.8L161 E164 E165 N234 A239 Q240 S241L161-L237 HydrophobicContact CD2-CD1 3.59Å; E164-L237 HydrophobicContact CB-CD1 4.13Å; E164-L237 WeakPolarHBondContact OE2-CD1 3.42Å; E165-L237 HydrophobicContact CG-CD2 3.85Å; N234-L237 PolarHBondContact O-N 2.91Å; N234-L237 PolarHBondContact OD1-N 3.5Å; L237-A239 VanDerWaalsContact C-N 3.26Å; L237-A239 PolarHBondContact O-N 3.16Å; L237-Q240 WeakPolarHBondContact O-CA 3.06Å; L237-Q240 PolarHBondContact O-N 3.29Å; L237-S241 PolarHBondContact O-N 2.93Å; L237-S241 PolarHBondContact O-OG 2.84Å
238A83.7Confident85.6Confident0 Ų019.9 Ų19.90%09%0.094CC..Hα-helixtrans-55.6-43.6175.200000111.4F211 A213 N234 S241 C242F211-A238 HydrophobicContact CB-CB 4.09Å; F211-A238 WeakPolarHBondContact O-CB 3.42Å; A213-A238 VanDerWaalsContact CB-C 3.47Å; A213-A238 HydrophobicContact CB-CB 3.86Å; A213-A238 WeakPolarHBondContact CB-O 3.25Å; N234-A238 PolarHBondContact O-N 3.14Å; A238-S241 PolarHBondContact O-N 3.38Å; A238-C242 VanDerWaalsContact O-CB 3.3Å; A238-C242 WeakPolarHBondContact O-CB 3.01Å; A238-C242 PolarHBondContact O-N 3.3Å
239A88.9Confident85.9Confident0 Ų020.1 Ų20.10%010%0.095CC..Hα-helixtrans-68.9-30.9174.300000114.1Y198 Y200 A213 K235 K236 L237 A243Y198-A239 HydrophobicContact CD1-CB 3.8Å; Y198-A239 HydrophobicContact CD2-CB 4.42Å; Y198-A239 HydrophobicContact CE1-CB 3.87Å; Y198-A239 WeakPolarHBondContact CE1-O 3.43Å; Y198-A239 HydrophobicContact CG-CB 4.09Å; Y200-A239 HydrophobicContact CE1-CB 3.98Å; Y200-A239 WeakPolarHBondContact OH-CB 3.4Å; A213-A239 HydrophobicContact CB-CB 4.41Å; K235-A239 WeakPolarHBondContact O-CB 3.35Å; K235-A239 PolarHBondContact O-N 2.91Å; K236-A239 PolarHBondContact O-N 2.93Å; L237-A239 VanDerWaalsContact C-N 3.26Å; L237-A239 PolarHBondContact O-N 3.16Å; A239-A243 VanDerWaalsContact O-CB 3.24Å; A239-A243 WeakPolarHBondContact O-CB 3.45Å; A239-A243 PolarHBondContact O-N 3.31Å
240Q89.9Confident86.3Confident22 Ų2218.2 Ų18.210%0.1039%0.088CC..Hα-helixtrans-69.2-42.4173.4-76.2177.2-100.900111.4L178 K182 K236 L237 A243 L244L178-Q240 HydrophobicContact CD2-CB 4.03Å; L178-Q240 PolarHBondContact O-NE2 3.47Å; K182-Q240 HydrophobicContact CD-CG 4.05Å; K236-Q240 VanDerWaalsContact CE-OE1 3.28Å; K236-Q240 WeakPolarHBondContact O-CG 3.42Å; K236-Q240 PolarHBondContact O-N 2.88Å; L237-Q240 WeakPolarHBondContact O-CA 3.06Å; L237-Q240 PolarHBondContact O-N 3.29Å; Q240-A243 PolarHBondContact O-N 2.94Å; Q240-L244 WeakPolarHBondContact O-CB 3.34Å; Q240-L244 PolarHBondContact O-N 3.48Å
241S86.6Confident86.9Confident6 Ų619.5 Ų19.54%0.0429%0.091CC..Hα-helixtrans-63.7-46173.8-57.10000111.3L237 A238 A243 L244 S245L237-S241 PolarHBondContact O-N 2.93Å; L237-S241 PolarHBondContact O-OG 2.84Å; A238-S241 PolarHBondContact O-N 3.38Å; S241-A243 VanDerWaalsContact C-N 3.33Å; S241-A243 PolarHBondContact O-N 3.27Å; S241-L244 WeakPolarHBondContact O-CA 3.39Å; S241-L244 WeakPolarHBondContact O-CB 3.49Å; S241-L244 PolarHBondContact O-N 3.46Å; S241-S245 PolarHBondContact O-N 2.84Å
242C89.4Confident87.4Confident0 Ų021.2 Ų21.20%010%0.099CC..Hα-helixtrans-58.9-44.1175.6179.70000111.3Y198 A213 E230 A238 L244 L246Y198-C242 HydrophobicContact CD1-CB 4.26Å; Y198-C242 HydrophobicContact CE1-CB 4.1Å; A213-C242 HydrophobicContact CB-CB 3.94Å; E230-C242 HydrophobicContact CB-CB 4.06Å; A238-C242 VanDerWaalsContact O-CB 3.3Å; A238-C242 WeakPolarHBondContact O-CB 3.01Å; A238-C242 PolarHBondContact O-N 3.3Å; C242-L244 VanDerWaalsContact C-N 3.34Å; C242-L244 PolarHBondContact O-N 3.49Å; C242-L246 WeakPolarHBondContact O-CD1 3.44Å; C242-L246 VanDerWaalsContact O-CG 3.31Å; C242-L246 WeakPolarHBondContact O-CG 3.38Å; C242-L246 PolarHBondContact O-N 2.98Å; C242-L246 VanDerWaalsContact O-N 3.16Å
243A92.3Very high88.1Confident0 Ų022.9 Ų22.90%011%0.108CC..Hα-helixtrans-64.2-37.217400000113K182 L185 Y198 A239 Q240 S241 L246 V247K182-A243 HydrophobicContact CB-CB 3.96Å; K182-A243 HydrophobicContact CG-CB 4.26Å; L185-A243 HydrophobicContact CD2-CB 3.83Å; Y198-A243 WeakPolarHBondContact OH-CB 3.29Å; A239-A243 VanDerWaalsContact O-CB 3.24Å; A239-A243 WeakPolarHBondContact O-CB 3.45Å; A239-A243 PolarHBondContact O-N 3.31Å; Q240-A243 PolarHBondContact O-N 2.94Å; S241-A243 VanDerWaalsContact C-N 3.33Å; S241-A243 PolarHBondContact O-N 3.27Å; A243-L246 PolarHBondContact O-N 3.27Å; A243-V247 WeakPolarHBondContact O-CB 3.3Å; A243-V247 WeakPolarHBondContact O-CG2 3.45Å; A243-V247 PolarHBondContact O-N 2.9Å
244L91.6Very high88.8Confident4 Ų425 Ų252%0.02113%0.133CC..Hα-helixtrans-61.2-53.7176.9178.659000110.9W176 L178 A181 Q240 S241 C242 L246 V247 R248W176-L244 HydrophobicContact CB-CD1 4.24Å; W176-L244 WeakPolarHBondContact O-CD1 3.4Å; L178-L244 HydrophobicContact CD2-CB 4.08Å; L178-L244 HydrophobicContact CD2-CD2 3.73Å; L178-L244 HydrophobicContact CG-CD2 3.85Å; A181-L244 HydrophobicContact CB-CB 4.17Å; A181-L244 HydrophobicContact CB-CD1 3.85Å; Q240-L244 WeakPolarHBondContact O-CB 3.34Å; Q240-L244 PolarHBondContact O-N 3.48Å; S241-L244 WeakPolarHBondContact O-CA 3.39Å; S241-L244 WeakPolarHBondContact O-CB 3.49Å; S241-L244 PolarHBondContact O-N 3.46Å; C242-L244 VanDerWaalsContact C-N 3.34Å; C242-L244 PolarHBondContact O-N 3.49Å; L244-L246 VanDerWaalsContact C-N 3.32Å; L244-L246 PolarHBondContact O-N 2.86Å; L244-V247 PolarHBondContact O-N 2.85Å; L244-R248 HydrophobicContact CD1-CG 3.91Å; L244-R248 HydrophobicContact CG-CG 4.31Å; L244-R248 WeakPolarHBondContact O-CB 3.23Å; L244-R248 VanDerWaalsContact O-CG 3.25Å; L244-R248 WeakPolarHBondContact O-CG 3.41Å; L244-R248 PolarHBondContact O-N 2.65Å
245S89.1Confident89.3Confident3 Ų323.8 Ų23.82%0.02113%0.127CC..Hα-helixtrans-58.9-43.9178.3179.90000111.6S241 V247 R248 Q249 D827S241-S245 PolarHBondContact O-N 2.84Å; S245-V247 PolarHBondContact O-N 2.77Å; S245-R248 PolarHBondContact O-N 2.96Å; S245-Q249 WeakPolarHBondContact O-CB 3.39Å; S245-Q249 VanDerWaalsContact O-CG 3.27Å; S245-Q249 WeakPolarHBondContact O-CG 3.48Å; S245-Q249 PolarHBondContact O-N 2.79Å; S245-Q249 PolarHBondContact OG-NE2 2.82Å; S245-D827 VanDerWaalsContact CA-OD2 3.26Å; S245-D827 WeakPolarHBondContact CA-OD2 3.19Å; S245-D827 VanDerWaalsContact CB-OD2 3.31Å; S245-D827 WeakPolarHBondContact CB-OD2 3.26Å; S245-D827 PolarHBondContact OG-OD1 2.78Å; S245-D827 PolarHBondContact OG-OD2 2.89Å
246L91.6Very high89.7Confident0 Ų020.7 Ų20.70%011%0.114CC..Hα-helixtrans-60.6-42.1177.4-67.2165.1000112.6L185 M215 I217 I226 A228 C242 A243 L244 L250L185-L246 HydrophobicContact CD1-CB 4.38Å; L185-L246 HydrophobicContact CD2-CB 4.21Å; L185-L246 HydrophobicContact CD2-CD1 4.04Å; M215-L246 HydrophobicContact CB-CD1 3.92Å; M215-L246 HydrophobicContact CG-CD1 3.94Å; M215-L246 HydrophobicContact SD-CD1 3.68Å; I217-L246 HydrophobicContact CD1-CB 4.27Å; I217-L246 HydrophobicContact CD1-CD1 3.87Å; I217-L246 HydrophobicContact CD1-CD2 4.06Å; I217-L246 HydrophobicContact CD1-CG 4.26Å; I226-L246 HydrophobicContact CD1-CD2 3.79Å; I226-L246 HydrophobicContact CG1-CD2 4.06Å; A228-L246 HydrophobicContact CB-CD1 4.18Å; A228-L246 HydrophobicContact CB-CD2 3.73Å; A228-L246 HydrophobicContact CB-CG 3.57Å; C242-L246 WeakPolarHBondContact O-CD1 3.44Å; C242-L246 VanDerWaalsContact O-CG 3.31Å; C242-L246 WeakPolarHBondContact O-CG 3.38Å; C242-L246 PolarHBondContact O-N 2.98Å; C242-L246 VanDerWaalsContact O-N 3.16Å; A243-L246 PolarHBondContact O-N 3.27Å; L244-L246 VanDerWaalsContact C-N 3.32Å; L244-L246 PolarHBondContact O-N 2.86Å; L246-L250 WeakPolarHBondContact O-CB 3.4Å; L246-L250 WeakPolarHBondContact O-CG 3.32Å; L246-L250 PolarHBondContact O-N 3.22Å
247V93.6Very high90Very high1 Ų119.4 Ų19.41%0.00611%0.11CC..Hα-helixtrans-70-38.5177.1172.50000111.9W176 A181 R184 L185 A243 L244 S245 L250 Y251W176-V247 HydrophobicContact CB-CG1 4.11Å; W176-V247 HydrophobicContact CD2-CG1 3.42Å; W176-V247 VanDerWaalsContact CD2-CG1 3.42Å; W176-V247 HydrophobicContact CE3-CG1 3.79Å; W176-V247 HydrophobicContact CG-CG1 3.53Å; A181-V247 HydrophobicContact CB-CB 4.04Å; A181-V247 HydrophobicContact CB-CG1 4.38Å; A181-V247 HydrophobicContact CB-CG2 4.14Å; A181-V247 WeakPolarHBondContact O-CG2 3.38Å; R184-V247 HydrophobicContact CG-CG1 4.43Å; L185-V247 HydrophobicContact CB-CG2 3.77Å; L185-V247 HydrophobicContact CD1-CG2 4.23Å; L185-V247 HydrophobicContact CG-CG2 4.48Å; A243-V247 WeakPolarHBondContact O-CB 3.3Å; A243-V247 WeakPolarHBondContact O-CG2 3.45Å; A243-V247 PolarHBondContact O-N 2.9Å; L244-V247 PolarHBondContact O-N 2.85Å; S245-V247 PolarHBondContact O-N 2.77Å; V247-L250 PolarHBondContact O-N 2.94Å; V247-Y251 WeakPolarHBondContact O-CB 3.49Å; V247-Y251 PolarHBondContact O-N 2.84Å
248R92.5Very high90.3Very high4 Ų421.3 Ų21.32%0.01513%0.127CC..Hα-helixtrans-63.9-41.9174.6-68.2179.4165.6-159.8-2.1111.8D167 N169 H173 W176 L244 S245 Y251 H252 D827 E831D167-R248 IonicContact OD1-NH2 3.44Å; D167-R248 PolarHBondContact OD1-NH2 3.42Å; D167-R248 IonicContact OD2-CZ 3.82Å; D167-R248 IonicContact OD2-NH2 3.37Å; D167-R248 PolarHBondContact OD2-NH2 3.08Å; N169-R248 VanDerWaalsContact OD1-CZ 3.24Å; N169-R248 PolarHBondContact OD1-NH1 3.43Å; N169-R248 PolarHBondContact OD1-NH2 3.16Å; H173-R248 HydrophobicContact CB-CB 4.12Å; H173-R248 HydrophobicContact CB-CG 3.6Å; H173-R248 PolarHBondContact CD2-NH1 3.24Å; H173-R248 VanDerWaalsContact CD2-NH1 3.34Å; H173-R248 PolarHBondContact NE2-NH1 3.1Å; W176-R248 HydrophobicContact CB-CG 4.27Å; L244-R248 HydrophobicContact CD1-CG 3.91Å; L244-R248 HydrophobicContact CG-CG 4.31Å; L244-R248 WeakPolarHBondContact O-CB 3.23Å; L244-R248 VanDerWaalsContact O-CG 3.25Å; L244-R248 WeakPolarHBondContact O-CG 3.41Å; L244-R248 PolarHBondContact O-N 2.65Å; S245-R248 PolarHBondContact O-N 2.96Å; R248-Y251 PolarHBondContact O-N 3.01Å; R248-H252 PolarHBondContact O-CD2 3Å; R248-H252 VanDerWaalsContact O-CD2 3.25Å; R248-H252 PolarHBondContact O-N 2.98Å; R248-D827 HydrophobicContact CB-CB 3.92Å; R248-E831 IonicContact NH1-OE1 3.32Å; R248-E831 PolarHBondContact NH1-OE1 3.1Å
249Q90.6Very high90.5Very high6 Ų624.7 Ų24.73%0.02814%0.14CC..Hα-helixtrans-62.4-45.2171.9-70.9-179.158.700111.3I226 F227 S245 Y251 H252 L253 L826 D827I226-Q249 HydrophobicContact CD1-CB 4.46Å; F227-Q249 PolarHBondContact O-NE2 2.99Å; S245-Q249 WeakPolarHBondContact O-CB 3.39Å; S245-Q249 VanDerWaalsContact O-CG 3.27Å; S245-Q249 WeakPolarHBondContact O-CG 3.48Å; S245-Q249 PolarHBondContact O-N 2.79Å; S245-Q249 PolarHBondContact OG-NE2 2.82Å; Q249-Y251 VanDerWaalsContact C-N 3.32Å; Q249-Y251 PolarHBondContact O-N 3.35Å; Q249-H252 PolarHBondContact O-N 3.47Å; Q249-L253 VanDerWaalsContact O-CB 3.31Å; Q249-L253 WeakPolarHBondContact O-CB 3.43Å; Q249-L253 WeakPolarHBondContact O-CG 3.38Å; Q249-L253 PolarHBondContact O-N 2.73Å; Q249-L826 HydrophobicContact CG-CB 4.29Å; Q249-D827 WeakPolarHBondContact CG-OD1 3.34Å
250L91.6Very high90.3Very high1 Ų130.7 Ų30.71%0.00518%0.182CC..Hα-helixtrans-62.5-36.9176.3-73.2167.9000112.7L185 Y188 I219 I226 L246 V247 G254 V255 V256L185-L250 HydrophobicContact CD1-CD1 4.03Å; Y188-L250 HydrophobicContact CD1-CD1 4.08Å; Y188-L250 HydrophobicContact CE1-CD1 4.21Å; Y188-L250 HydrophobicContact CE1-CD2 4.29Å; Y188-L250 HydrophobicContact CG-CD1 4.36Å; I219-L250 HydrophobicContact CD1-CD2 3.59Å; I219-L250 HydrophobicContact CG1-CD2 4.04Å; I226-L250 HydrophobicContact CD1-CD2 3.95Å; I226-L250 HydrophobicContact CD1-CG 3.86Å; L246-L250 WeakPolarHBondContact O-CB 3.4Å; L246-L250 WeakPolarHBondContact O-CG 3.32Å; L246-L250 PolarHBondContact O-N 3.22Å; V247-L250 PolarHBondContact O-N 2.94Å; L250-G254 PolarHBondContact O-N 3.5Å; L250-V255 HydrophobicContact CB-CB 4.37Å; L250-V255 HydrophobicContact CD2-CB 3.91Å; L250-V255 HydrophobicContact CD2-CG1 3.8Å; L250-V255 HydrophobicContact CD2-CG2 4.3Å; L250-V255 WeakPolarHBondContact O-CB 3.48Å; L250-V255 PolarHBondContact O-N 2.91Å; L250-V256 HydrophobicContact CB-CB 4.18Å; L250-V256 HydrophobicContact CB-CG2 3.8Å; L250-V256 HydrophobicContact CD1-CG2 4.32Å; L250-V256 PolarHBondContact O-N 2.89Å
251Y92.7Very high89.7Confident68 Ų6831 Ų3127%0.26719%0.191SC..Hα-helixtrans-63.8-52.4174.1166.7-106.5000111.6G174 V247 R248 Q249 L253 G254 V256 A258G174-Y251 VanDerWaalsContact N-CE1 3.34Å; V247-Y251 WeakPolarHBondContact O-CB 3.49Å; V247-Y251 PolarHBondContact O-N 2.84Å; R248-Y251 PolarHBondContact O-N 3.01Å; Q249-Y251 VanDerWaalsContact C-N 3.32Å; Q249-Y251 PolarHBondContact O-N 3.35Å; Y251-L253 PolarHBondContact O-N 2.88Å; Y251-G254 PolarHBondContact O-N 3.09Å; Y251-V256 WeakPolarHBondContact CA-O 3.22Å; Y251-V256 WeakPolarHBondContact CD2-O 3.3Å; Y251-A258 HydrophobicContact CE2-CB 3.79Å
252H89.5Confident88.8Confident50 Ų5038.8 Ų38.823%0.23123%0.231CC..Hα-helixtrans-67.4-19179.4-71.5-47.8000113.7L172 H173 R248 Q249 L826 I830L172-H252 PolarHBondContact O-CE1 2.98Å; H173-H252 AromaticContact CE1-NE2 3.88Å; H173-H252 AromaticContact CG-NE2 3.71Å; H173-H252 AromaticContact ND1-CD2 3.68Å; H173-H252 AromaticContact ND1-NE2 3.05Å; H173-H252 PolarHBondContact ND1-NE2 3.25Å; R248-H252 PolarHBondContact O-CD2 3Å; R248-H252 VanDerWaalsContact O-CD2 3.25Å; R248-H252 PolarHBondContact O-N 2.98Å; Q249-H252 PolarHBondContact O-N 3.47Å; H252-L826 HydrophobicContact CB-CD2 3.71Å; H252-L826 HydrophobicContact CB-CG 4.17Å; H252-I830 HydrophobicContact CB-CD1 3.68Å; H252-I830 VanDerWaalsContact CD2-CD1 3.46Å; H252-I830 WeakPolarHBondContact CD2-CD1 3.42Å
253L88.9Confident87.6Confident38 Ų3841.8 Ų41.820%0.19925%0.25CC..THydrogen-bonded Turntrans-882.5169.7-68.1172.3000114I219 L222 I226 Q249 Y251 V255 L826I219-L253 HydrophobicContact CD1-CD1 3.94Å; L222-L253 HydrophobicContact CD1-CB 3.86Å; L222-L253 HydrophobicContact CD1-CD1 4.12Å; L222-L253 HydrophobicContact CD1-CD2 4.36Å; L222-L253 HydrophobicContact CD1-CG 4.34Å; I226-L253 HydrophobicContact CG2-CD1 3.83Å; Q249-L253 VanDerWaalsContact O-CB 3.31Å; Q249-L253 WeakPolarHBondContact O-CB 3.43Å; Q249-L253 WeakPolarHBondContact O-CG 3.38Å; Q249-L253 PolarHBondContact O-N 2.73Å; Y251-L253 PolarHBondContact O-N 2.88Å; L253-V255 VanDerWaalsContact C-N 3.25Å; L253-V255 HydrophobicContact CB-CG2 4.09Å; L253-V255 PolarHBondContact O-N 3.27Å; L253-L826 HydrophobicContact CD2-CD2 3.8Å; L253-L826 HydrophobicContact CG-CD2 3.92Å
254G89.5Confident86Confident68 Ų6850 Ų5070%0.70129%0.286SS*.THydrogen-bonded Turntrans71.512.4179.600000115.3L250 Y251L250-G254 PolarHBondContact O-N 3.5Å; Y251-G254 PolarHBondContact O-N 3.09Å
255V91.2Very high84.3Confident19 Ų1957.1 Ų57.112%0.11532%0.316CS..SBendtrans-85.6-24.4-178.5-1760000111.7Y188 I219 L222 L250 L253Y188-V255 HydrophobicContact CD2-CG1 4.49Å; Y188-V255 HydrophobicContact CE2-CG1 3.51Å; I219-V255 HydrophobicContact CG2-CG1 4.48Å; I219-V255 HydrophobicContact CG2-CG2 4.15Å; L222-V255 HydrophobicContact CD1-CG2 3.66Å; L222-V255 HydrophobicContact CG-CG2 4.26Å; L250-V255 HydrophobicContact CB-CB 4.37Å; L250-V255 HydrophobicContact CD2-CB 3.91Å; L250-V255 HydrophobicContact CD2-CG1 3.8Å; L250-V255 HydrophobicContact CD2-CG2 4.3Å; L250-V255 WeakPolarHBondContact O-CB 3.48Å; L250-V255 PolarHBondContact O-N 2.91Å; L253-V255 VanDerWaalsContact C-N 3.25Å; L253-V255 HydrophobicContact CB-CG2 4.09Å; L253-V255 PolarHBondContact O-N 3.27Å
256V91.4Very high82.8Confident6 Ų661.8 Ų61.84%0.03634%0.336CS..SBendtrans-130.5138.5179.1171.10000109.2W176 R184 Y188 L250 Y251W176-V256 HydrophobicContact CZ2-CG1 3.7Å; R184-V256 HydrophobicContact CG-CG1 4.09Å; Y188-V256 HydrophobicContact CD2-CG2 4.44Å; L250-V256 HydrophobicContact CB-CB 4.18Å; L250-V256 HydrophobicContact CB-CG2 3.8Å; L250-V256 HydrophobicContact CD1-CG2 4.32Å; L250-V256 PolarHBondContact O-N 2.89Å; Y251-V256 WeakPolarHBondContact CA-O 3.22Å; Y251-V256 WeakPolarHBondContact CD2-O 3.3Å
257E91.4Very high81.1Confident106 Ų10670.3 Ų70.350%0.49538%0.376SS..PPolyproline II helixtrans-67.1166.2175.765.8-68.1156.800113.6W176 R184W176-E257 VanDerWaalsContact CZ2-O 3.29Å; W176-E257 WeakPolarHBondContact CZ2-O 3.19Å; W176-E257 PolarHBondContact NE1-O 3.36Å; R184-E257 IonicContact CZ-OE1 3.3Å; R184-E257 VanDerWaalsContact CZ-OE1 3.24Å; R184-E257 IonicContact CZ-OE2 2.74Å; R184-E257 IonicContact NE-OE1 2.88Å; R184-E257 PolarHBondContact NE-OE1 3.01Å; R184-E257 IonicContact NH2-OE1 3.82Å; R184-E257 PolarHBondContact NH2-OE1 3.21Å; R184-E257 IonicContact NH2-OE2 3.43Å; R184-E257 PolarHBondContact NH2-OE2 3.22Å
258A90Very high79.7Confident45 Ų4571.3 Ų71.337%0.37239%0.387SS..PPolyproline II helixtrans-68.6145.1167.600000110.4Y251 S260Y251-A258 HydrophobicContact CE2-CB 3.79Å; A258-S260 PolarHBondContact O-N 3.25Å
259Y89.1Confident79Confident72 Ų7275 Ų7528%0.28240%0.404SS..PPolyproline II helixtrans-68.3117.9174.3-177.3-106.9000110.7G174 N175 W176 N180 G261 T263G174-Y259 PolarHBondContact O-N 2.94Å; N175-Y259 HydrophobicContact CB-CD1 4.36Å; W176-Y259 HydrophobicContact CE3-CD2 4.43Å; W176-Y259 AromaticContact CH2-CD2 3.78Å; W176-Y259 HydrophobicContact CH2-CD2 3.78Å; W176-Y259 HydrophobicContact CH2-CG 4.33Å; W176-Y259 AromaticContact CZ3-CD2 3.69Å; W176-Y259 HydrophobicContact CZ3-CD2 3.69Å; W176-Y259 HydrophobicContact CZ3-CG 4.19Å; N180-Y259 HydrophobicContact CB-CD2 4.4Å; N180-Y259 HydrophobicContact CB-CE2 4.14Å; N180-Y259 WeakPolarHBondContact ND2-CD1 3.4Å; N180-Y259 WeakPolarHBondContact ND2-CE1 3.46Å; N180-Y259 VanDerWaalsContact ND2-CG 3.28Å; Y259-G261 WeakPolarHBondContact CD1-O 3.31Å; Y259-G261 VanDerWaalsContact CE1-C 3.42Å; Y259-G261 VanDerWaalsContact CE1-CA 3.5Å; Y259-G261 WeakPolarHBondContact CE1-O 3.31Å; Y259-T263 HydrophobicContact CD1-CG2 3.99Å; Y259-T263 HydrophobicContact CE1-CG2 4.05Å
260S83.5Confident78.2Confident125 Ų12579.5 Ų79.587%0.87443%0.432SS*.  trans-96.2-2.6-176.656.40000114.6A258A258-S260 PolarHBondContact O-N 3.25Å
261G78.1Confident77.9Confident30 Ų3079.8 Ų79.831%0.30943%0.434SS..SBendtrans-81.6163176.600000112.8Y259 T263Y259-G261 WeakPolarHBondContact CD1-O 3.31Å; Y259-G261 VanDerWaalsContact CE1-C 3.42Å; Y259-G261 VanDerWaalsContact CE1-CA 3.5Å; Y259-G261 WeakPolarHBondContact CE1-O 3.31Å; G261-T263 PolarHBondContact O-N 2.92Å
262L68.3Low77.7Confident168 Ų16884 Ų8488%0.8846%0.456SS*.PPolyproline II helixtrans-67.8116.2170.2-68.7170.7000109.7K264L262-K264 PolarHBondContact O-N 2.68Å
263T64.1Low77.8Confident63 Ų6384.8 Ų84.839%0.38747%0.466SS..PPolyproline II helixtrans-69.3124.917046.20000109.4N175 T177 Y259 G261 K265N175-T263 HydrophobicContact CB-CG2 4.16Å; T177-T263 HydrophobicContact CG2-CG2 4.31Å; Y259-T263 HydrophobicContact CD1-CG2 3.99Å; Y259-T263 HydrophobicContact CE1-CG2 4.05Å; G261-T263 PolarHBondContact O-N 2.92Å; T263-K265 PolarHBondContact O-N 3.29Å
264K57.6Low78Confident173 Ų17385.4 Ų85.475%0.75247%0.466SS*.  trans-74.197.2174.1-72.3-175177.6-177.90109.1L262 K266L262-K264 PolarHBondContact O-N 2.68Å; K264-K266 PolarHBondContact O-N 3.39Å
265K56.5Low78.2Confident154 Ų15488.2 Ų88.267%0.6746%0.459SS*.  trans-62.1107.5159.6-75.3-170.8174.1-1720107.3T263 E267 D1086T263-K265 PolarHBondContact O-N 3.29Å; K265-E267 PolarHBondContact O-N 3.2Å; K265-E267 VanDerWaalsContact O-N 3.09Å; K265-D1086 IonicContact NZ-OD2 2.89Å; K265-D1086 PolarHBondContact NZ-OD2 3.18Å
266K56.5Low78.2Confident100 Ų10087.9 Ų87.944%0.43546%0.456SS..  trans-64.5107.5165.6-75.6-177.6-177.5167.60107.2E165 E179 K264 G268E165-K266 IonicContact OE1-NZ 2.71Å; E165-K266 IonicContact OE2-NZ 2.73Å; E165-K266 PolarHBondContact OE2-NZ 3.08Å; E179-K266 WeakPolarHBondContact OE1-CE 3.48Å; E179-K266 IonicContact OE1-NZ 2.75Å; E179-K266 PolarHBondContact OE1-NZ 2.98Å; K264-K266 PolarHBondContact O-N 3.39Å; K266-G268 PolarHBondContact O-N 2.92Å; K266-G268 VanDerWaalsContact O-N 3.15Å
267E56.3Low78.1Confident179 Ų17991.7 Ų91.784%0.83648%0.477SS*.  trans-58.6119.3176.2-64.8-175.3162.300109.3K265K265-E267 PolarHBondContact O-N 3.2Å; K265-E267 VanDerWaalsContact O-N 3.09Å
268G64.6Low78Confident23 Ų2388.3 Ų88.324%0.23746%0.462CS..  trans-76.6-174.3173.300000111.5K266 T270K266-G268 PolarHBondContact O-N 2.92Å; K266-G268 VanDerWaalsContact O-N 3.15Å; G268-T270 PolarHBondContact O-N 3.29Å; G268-T270 VanDerWaalsContact O-N 3.15Å
269E77.4Confident78.1Confident80 Ų8089.1 Ų89.137%0.37447%0.465SS..PPolyproline II helixtrans-66.7116.8174.1-173.6166.7-163.400110.1K1007 L1013 G1017E269-K1007 WeakPolarHBondContact OE1-CE 3.36Å; E269-K1007 IonicContact OE1-NZ 3.2Å; E269-K1007 PolarHBondContact OE1-NZ 3.32Å; E269-K1007 IonicContact OE2-NZ 3.8Å; E269-K1007 PolarHBondContact OE2-NZ 2.92Å; E269-L1013 HydrophobicContact CB-CD1 4.11Å; E269-L1013 HydrophobicContact CB-CD2 4.15Å; E269-L1013 HydrophobicContact CG-CD1 4.06Å; E269-G1017 PolarHBondContact N-O 3.46Å
270T75.1Confident78.2Confident101 Ų10193.5 Ų93.562%0.6249%0.488SS*.PPolyproline II helixtrans-75.5140.1-179.366.30000111.4G268G268-T270 PolarHBondContact O-N 3.29Å; G268-T270 VanDerWaalsContact O-N 3.15Å
271V84.8Confident78.6Confident7 Ų793.3 Ų93.34%0.04248%0.477CS..PPolyproline II helixtrans-88.2139.1178.8-174.40000109.6Y1005 L1013 W1087V271-Y1005 HydrophobicContact CG1-CD1 4.3Å; V271-Y1005 HydrophobicContact CG1-CD2 3.59Å; V271-Y1005 HydrophobicContact CG1-CE1 4.16Å; V271-Y1005 HydrophobicContact CG1-CE2 3.4Å; V271-Y1005 VanDerWaalsContact CG1-CE2 3.4Å; V271-Y1005 HydrophobicContact CG1-CG 4.04Å; V271-Y1005 HydrophobicContact CG2-CG 4.34Å; V271-L1013 HydrophobicContact CG2-CD1 4.35Å; V271-W1087 HydrophobicContact CG2-CE3 3.8Å; V271-W1087 HydrophobicContact CG2-CZ3 3.81Å
272E87.4Confident79.2Confident157 Ų15792.3 Ų92.373%0.73447%0.465SS*.PPolyproline II helixtrans-65.2145.6173.3-67.1-170.1159.700111.2Y274E272-Y274 PolarHBondContact O-N 3.03Å; E272-Y274 VanDerWaalsContact O-N 3.13Å
273P91.5Very high80.4Confident66 Ų6686.8 Ų86.843%0.42943%0.434SS..PPolyproline II helixtrans-56.6117.7177.7-25.435.1000112.6I1081 K1089P273-I1081 HydrophobicContact CB-CD1 4.45Å; P273-I1081 HydrophobicContact CG-CD1 4.09Å; P273-K1089 WeakPolarHBondContact CA-O 3.26Å; P273-K1089 HydrophobicContact CB-CB 4.21Å; P273-K1089 HydrophobicContact CG-CB 4.21Å; P273-K1089 HydrophobicContact CG-CD 4.29Å
274Y93.3Very high81.7Confident52 Ų5289 Ų8920%0.20444%0.44CS..EExtended strand (participates in β ladder)trans-84.4117.6177.4-173.3-86.9000110.2E272 V276 P1041 F1042 P1064 K1089 L1090 Q1091E272-Y274 PolarHBondContact O-N 3.03Å; E272-Y274 VanDerWaalsContact O-N 3.13Å; Y274-V276 HydrophobicContact CD1-CG2 4.22Å; Y274-V276 PolarHBondContact O-N 3.43Å; Y274-P1041 HydrophobicContact CD2-CG 3.82Å; Y274-P1041 VanDerWaalsContact CE2-CD 3.46Å; Y274-P1041 HydrophobicContact CE2-CG 3.78Å; Y274-F1042 AromaticContact CD1-CE2 3.87Å; Y274-F1042 HydrophobicContact CD1-CE2 3.87Å; Y274-F1042 AromaticContact CD2-CE2 3.99Å; Y274-F1042 HydrophobicContact CD2-CE2 3.99Å; Y274-F1042 HydrophobicContact CD2-CZ 4.42Å; Y274-F1042 HydrophobicContact CE1-CE2 4.31Å; Y274-F1042 HydrophobicContact CE2-CE2 4.41Å; Y274-F1042 AromaticContact CG-CE2 3.69Å; Y274-F1042 HydrophobicContact CG-CE2 3.69Å; Y274-F1042 HydrophobicContact CG-CZ 4.03Å; Y274-P1064 HydrophobicContact CD1-CB 4.48Å; Y274-P1064 HydrophobicContact CD1-CG 4.13Å; Y274-P1064 HydrophobicContact CE1-CG 3.88Å; Y274-K1089 PolarHBondContact N-O 2.87Å; Y274-L1090 WeakPolarHBondContact O-CA 3.41Å; Y274-Q1091 PolarHBondContact O-N 3.48Å
275K93.8Very high83.4Confident127 Ų12784.4 Ų84.455%0.55242%0.421SS*.EExtended strand (participates in β ladder)trans-72.4120.7176.5-175.3176.8178.41800111.5N277K275-N277 WeakPolarHBondContact CE-OD1 3.42Å
276V92.4Very high85.2Confident11 Ų1177.1 Ų77.17%0.06739%0.39CS..PPolyproline II helixtrans-97.9126.6175.9-1650000109Y274 L278 P1064 L1065 L1090 Q1091 I1092 A1144Y274-V276 HydrophobicContact CD1-CG2 4.22Å; Y274-V276 PolarHBondContact O-N 3.43Å; V276-L278 HydrophobicContact CG1-CD1 3.69Å; V276-P1064 HydrophobicContact CG1-CG 3.95Å; V276-P1064 HydrophobicContact CG2-CB 3.99Å; V276-P1064 HydrophobicContact CG2-CG 3.89Å; V276-L1065 HydrophobicContact CG1-CD2 3.87Å; V276-L1065 HydrophobicContact CG1-CG 4.28Å; V276-L1090 HydrophobicContact CG2-CB 4.14Å; V276-L1090 HydrophobicContact CG2-CD2 4.23Å; V276-Q1091 PolarHBondContact N-O 2.94Å; V276-I1092 HydrophobicContact CB-CB 4.15Å; V276-I1092 HydrophobicContact CB-CD1 4.33Å; V276-I1092 HydrophobicContact CB-CG1 4.4Å; V276-I1092 HydrophobicContact CG1-CD1 4.25Å; V276-I1092 HydrophobicContact CG2-CB 4.22Å; V276-A1144 HydrophobicContact CG1-CB 4.36Å
277N87.9Confident86.9Confident87 Ų8776.1 Ų76.147%0.46539%0.386SS..  trans-102.9101.7179.6-60.1-55.3000109.8K275 A1144 G1145K275-N277 WeakPolarHBondContact CE-OD1 3.42Å; N277-A1144 CarbonylContact O-C 3.39Å; N277-G1145 PolarHBondContact O-N 2.78Å
278L90.5Very high88.7Confident34 Ų3470.5 Ų70.518%0.17836%0.362CS..  trans-94.4153167.9-93.766.2000110.8V276 L282 E283 L286 L1065 I1092 A1096V276-L278 HydrophobicContact CG1-CD1 3.69Å; L278-L282 HydrophobicContact CG-CD2 4.39Å; L278-E283 HydrophobicContact CB-CG 4.1Å; L278-E283 HydrophobicContact CD2-CG 3.89Å; L278-L286 HydrophobicContact CD2-CD1 4.18Å; L278-L1065 HydrophobicContact CD1-CD1 3.92Å; L278-L1065 HydrophobicContact CD1-CD2 3.83Å; L278-L1065 HydrophobicContact CD1-CG 4.42Å; L278-I1092 HydrophobicContact CD1-CD1 4.1Å; L278-A1096 HydrophobicContact CD2-CB 3.85Å
279S92.3Very high90.1Very high62 Ų6269.8 Ų69.843%0.43435%0.353SS..  trans-85.4142165.452.70000110.6D281 L282 E283S279-D281 PolarHBondContact O-N 2.97Å; S279-L282 WeakPolarHBondContact O-CB 3.17Å; S279-L282 PolarHBondContact O-N 3.31Å; S279-L282 WeakPolarHBondContact OG-CB 3.21Å; S279-E283 PolarHBondContact O-N 3.33Å; S279-E283 VanDerWaalsContact O-N 3.15Å
280Q89.7Confident90.9Very high164 Ų16466.2 Ų66.277%0.76634%0.336SS*.Hα-helixtrans-56.5-36.4177.6-68.9177.4-21.200112.3L282 E283 H284Q280-L282 VanDerWaalsContact C-N 3.26Å; Q280-L282 PolarHBondContact O-N 3.19Å; Q280-E283 PolarHBondContact O-N 3.48Å; Q280-H284 PolarHBondContact O-N 2.79Å
281D91.9Very high91.7Very high121 Ų12167.9 Ų67.965%0.64734%0.337SS*.Hα-helixtrans-59.2-36.5174.9-58.6-35.4000112.6S279 Q285S279-D281 PolarHBondContact O-N 2.97Å; D281-Q285 WeakPolarHBondContact O-CB 3.39Å; D281-Q285 VanDerWaalsContact O-CG 3.22Å; D281-Q285 WeakPolarHBondContact O-CG 3.24Å; D281-Q285 PolarHBondContact O-N 3.28Å; D281-Q285 VanDerWaalsContact O-N 3.08Å
282L92.2Very high92.1Very high10 Ų1071.3 Ų71.35%0.05235%0.353CS..Hα-helixtrans-75.4-39.8178.6-177.262.3000110.7L278 S279 Q280 H284 Q285 L286 M1134 Q1137 A1143L278-L282 HydrophobicContact CG-CD2 4.39Å; S279-L282 WeakPolarHBondContact O-CB 3.17Å; S279-L282 PolarHBondContact O-N 3.31Å; S279-L282 WeakPolarHBondContact OG-CB 3.21Å; Q280-L282 VanDerWaalsContact C-N 3.26Å; Q280-L282 PolarHBondContact O-N 3.19Å; L282-H284 PolarHBondContact O-N 3.47Å; L282-Q285 PolarHBondContact O-N 3.24Å; L282-L286 HydrophobicContact CG-CD1 4.37Å; L282-L286 WeakPolarHBondContact O-CB 3.17Å; L282-L286 VanDerWaalsContact O-CG 3.23Å; L282-L286 WeakPolarHBondContact O-CG 3.32Å; L282-L286 PolarHBondContact O-N 2.97Å; L282-M1134 HydrophobicContact CD1-SD 3.71Å; L282-Q1137 HydrophobicContact CD1-CB 4.38Å; L282-A1143 HydrophobicContact CD2-CB 3.87Å
283E91.9Very high92.2Very high51 Ų5165.4 Ų65.424%0.23833%0.326CS..Hα-helixtrans-60.5-43.1173.6-64.6-175138.400111.8L278 S279 Q280 L286 Q287 S1093 A1096L278-E283 HydrophobicContact CB-CG 4.1Å; L278-E283 HydrophobicContact CD2-CG 3.89Å; S279-E283 PolarHBondContact O-N 3.33Å; S279-E283 VanDerWaalsContact O-N 3.15Å; Q280-E283 PolarHBondContact O-N 3.48Å; E283-L286 WeakPolarHBondContact O-CB 3.29Å; E283-L286 PolarHBondContact O-N 3.11Å; E283-Q287 WeakPolarHBondContact O-CG 3.12Å; E283-Q287 PolarHBondContact O-N 3Å; E283-S1093 PolarHBondContact OE1-OG 3.31Å; E283-A1096 HydrophobicContact CG-CB 4.09Å
284H92.6Very high92.1Very high109 Ų10969.1 Ų69.151%0.50534%0.342SS..Hα-helixtrans-65.3-40.2175.4-170.6-42.6000112Q280 L282 L286 Q287 N288Q280-H284 PolarHBondContact O-N 2.79Å; L282-H284 PolarHBondContact O-N 3.47Å; H284-L286 VanDerWaalsContact C-N 3.34Å; H284-Q287 PolarHBondContact O-N 2.95Å; H284-N288 PolarHBondContact CE1-ND2 2.9Å; H284-N288 PolarHBondContact CE1-OD1 3.35Å; H284-N288 PolarHBondContact ND1-ND2 2.63Å; H284-N288 PolarHBondContact ND1-OD1 3.48Å; H284-N288 VanDerWaalsContact O-CG 3.25Å; H284-N288 PolarHBondContact O-N 3Å; H284-N288 PolarHBondContact O-OD1 2.93Å
285Q93.4Very high91.9Very high78 Ų7867.7 Ų67.736%0.36434%0.338SS..Hα-helixtrans-67.8-34.6176.3-72.1174.434.400112.4D281 L282 I289 M1134D281-Q285 WeakPolarHBondContact O-CB 3.39Å; D281-Q285 VanDerWaalsContact O-CG 3.22Å; D281-Q285 WeakPolarHBondContact O-CG 3.24Å; D281-Q285 PolarHBondContact O-N 3.28Å; D281-Q285 VanDerWaalsContact O-N 3.08Å; L282-Q285 PolarHBondContact O-N 3.24Å; Q285-I289 PolarHBondContact O-N 2.84Å; Q285-I289 VanDerWaalsContact O-N 3.17Å; Q285-M1134 HydrophobicContact CB-CE 3.54Å; Q285-M1134 HydrophobicContact CB-SD 4.48Å; Q285-M1134 HydrophobicContact CG-CE 4.49Å
286L93.4Very high91.5Very high1 Ų170 Ų701%0.00535%0.35CS..Hα-helixtrans-61.5-48.2172-76.7170000111.3L278 L282 E283 H284 N288 I289 I290 A1096 C1099 I1100 L1103 M1134 I1138L278-L286 HydrophobicContact CD2-CD1 4.18Å; L282-L286 HydrophobicContact CG-CD1 4.37Å; L282-L286 WeakPolarHBondContact O-CB 3.17Å; L282-L286 VanDerWaalsContact O-CG 3.23Å; L282-L286 WeakPolarHBondContact O-CG 3.32Å; L282-L286 PolarHBondContact O-N 2.97Å; E283-L286 WeakPolarHBondContact O-CB 3.29Å; E283-L286 PolarHBondContact O-N 3.11Å; H284-L286 VanDerWaalsContact C-N 3.34Å; L286-N288 PolarHBondContact O-N 3.26Å; L286-I289 VanDerWaalsContact O-CG2 3.25Å; L286-I289 WeakPolarHBondContact O-CG2 3.4Å; L286-I289 PolarHBondContact O-N 3.19Å; L286-I290 VanDerWaalsContact O-CG1 3.28Å; L286-I290 WeakPolarHBondContact O-CG1 3.3Å; L286-I290 PolarHBondContact O-N 3.16Å; L286-I290 VanDerWaalsContact O-N 3.15Å; L286-A1096 HydrophobicContact CD1-CB 4.48Å; L286-C1099 HydrophobicContact CB-CB 3.87Å; L286-C1099 HydrophobicContact CD2-CB 4.44Å; L286-I1100 HydrophobicContact CD1-CG1 4.3Å; L286-I1100 HydrophobicContact CD2-CG1 4.44Å; L286-L1103 HydrophobicContact CD2-CD1 3.55Å; L286-M1134 HydrophobicContact CD2-CG 3.83Å; L286-M1134 HydrophobicContact CD2-SD 4.05Å; L286-M1134 HydrophobicContact CG-SD 4.34Å; L286-I1138 HydrophobicContact CD2-CD1 3.64Å; L286-I1138 HydrophobicContact CD2-CG1 4.14Å
287Q92.6Very high91.1Very high78 Ų7871.8 Ų71.836%0.36436%0.359SS..Hα-helixtrans-61.2-43.1178-71.2171.4-3.200111.9E283 H284 I289 I290 Q291E283-Q287 WeakPolarHBondContact O-CG 3.12Å; E283-Q287 PolarHBondContact O-N 3Å; H284-Q287 PolarHBondContact O-N 2.95Å; Q287-I289 PolarHBondContact O-N 2.89Å; Q287-I290 PolarHBondContact O-N 2.69Å; Q287-Q291 WeakPolarHBondContact O-CG 3.34Å; Q287-Q291 PolarHBondContact O-N 3.23Å
288N93.8Very high90.9Very high62 Ų6272.1 Ų72.133%0.33236%0.361SS..Hα-helixtrans-59.2-48.4177.4-70.9-3.3000112.3H284 L286 I290 Q291 E292H284-N288 PolarHBondContact CE1-ND2 2.9Å; H284-N288 PolarHBondContact CE1-OD1 3.35Å; H284-N288 PolarHBondContact ND1-ND2 2.63Å; H284-N288 PolarHBondContact ND1-OD1 3.48Å; H284-N288 VanDerWaalsContact O-CG 3.25Å; H284-N288 PolarHBondContact O-N 3Å; H284-N288 PolarHBondContact O-OD1 2.93Å; L286-N288 PolarHBondContact O-N 3.26Å; N288-I290 VanDerWaalsContact C-N 3.33Å; N288-I290 PolarHBondContact O-N 2.84Å; N288-Q291 PolarHBondContact O-N 3.41Å; N288-E292 WeakPolarHBondContact O-CG 3.2Å; N288-E292 PolarHBondContact O-N 3.37Å
289I94.2Very high90.7Very high7 Ų775 Ų754%0.03638%0.381CS..Hα-helixtrans-69.5-31.5-177-169.457.7000112.3Q285 L286 Q287 E292 L293 L1103 V1127 R1130 M1131 M1134Q285-I289 PolarHBondContact O-N 2.84Å; Q285-I289 VanDerWaalsContact O-N 3.17Å; L286-I289 VanDerWaalsContact O-CG2 3.25Å; L286-I289 WeakPolarHBondContact O-CG2 3.4Å; L286-I289 PolarHBondContact O-N 3.19Å; Q287-I289 PolarHBondContact O-N 2.89Å; I289-E292 HydrophobicContact CD1-CB 4.32Å; I289-E292 PolarHBondContact O-N 2.92Å; I289-L293 HydrophobicContact CG1-CD1 4.1Å; I289-L293 HydrophobicContact CG1-CG 4.47Å; I289-L293 WeakPolarHBondContact O-CB 3.4Å; I289-L293 WeakPolarHBondContact O-CD1 3.32Å; I289-L293 VanDerWaalsContact O-CG 3.23Å; I289-L293 WeakPolarHBondContact O-CG 3.23Å; I289-L293 PolarHBondContact O-N 2.94Å; I289-L1103 HydrophobicContact CG1-CD2 4.47Å; I289-L1103 HydrophobicContact CG2-CD2 3.96Å; I289-V1127 HydrophobicContact CD1-CG1 4.13Å; I289-R1130 HydrophobicContact CD1-CB 3.72Å; I289-M1131 HydrophobicContact CD1-CB 4.49Å; I289-M1131 HydrophobicContact CG1-CB 4.31Å; I289-M1134 HydrophobicContact CG2-CB 4.41Å; I289-M1134 HydrophobicContact CG2-CG 4.05Å
290I93.3Very high90.4Very high6 Ų674.8 Ų74.83%0.03138%0.379CS..Hα-helixtrans-64.5-41.4172.7-71.7-61.2000111.3L286 Q287 N288 L293 N294 L295 I297 C1099 L1103L286-I290 VanDerWaalsContact O-CG1 3.28Å; L286-I290 WeakPolarHBondContact O-CG1 3.3Å; L286-I290 PolarHBondContact O-N 3.16Å; L286-I290 VanDerWaalsContact O-N 3.15Å; Q287-I290 PolarHBondContact O-N 2.69Å; N288-I290 VanDerWaalsContact C-N 3.33Å; N288-I290 PolarHBondContact O-N 2.84Å; I290-L293 PolarHBondContact O-N 3.45Å; I290-N294 PolarHBondContact O-N 2.79Å; I290-L295 HydrophobicContact CD1-CD1 3.89Å; I290-L295 HydrophobicContact CG2-CB 4.05Å; I290-L295 WeakPolarHBondContact CG2-O 3.18Å; I290-L295 PolarHBondContact O-N 2.85Å; I290-I297 HydrophobicContact CG1-CD1 4.43Å; I290-I297 HydrophobicContact CG2-CD1 3.67Å; I290-I297 HydrophobicContact CG2-CG1 3.97Å; I290-C1099 WeakPolarHBondContact CD1-O 3.49Å; I290-C1099 HydrophobicContact CG1-CB 3.88Å; I290-L1103 HydrophobicContact CD1-CD2 4.4Å; I290-L1103 HydrophobicContact CD1-CG 4.21Å
291Q92.1Very high90.3Very high136 Ų13668.1 Ų68.164%0.63635%0.349SS*.Hα-helixtrans-64.9-42.9173.6-69.9174.211.800111.8Q287 N288 L293 N294Q287-Q291 WeakPolarHBondContact O-CG 3.34Å; Q287-Q291 PolarHBondContact O-N 3.23Å; N288-Q291 PolarHBondContact O-N 3.41Å; Q291-L293 VanDerWaalsContact C-N 3.31Å; Q291-L293 PolarHBondContact O-N 2.98Å; Q291-N294 WeakPolarHBondContact O-CA 3.4Å; Q291-N294 PolarHBondContact O-N 2.9Å
292E92.8Very high89.9Confident79 Ų7972.1 Ų72.137%0.36936%0.364SS..Hα-helixtrans-62.8-35.5175.3-71.5-177.6-153.700113.1N288 I289 N294 V1127 R1130N288-E292 WeakPolarHBondContact O-CG 3.2Å; N288-E292 PolarHBondContact O-N 3.37Å; I289-E292 HydrophobicContact CD1-CB 4.32Å; I289-E292 PolarHBondContact O-N 2.92Å; E292-N294 PolarHBondContact O-N 2.88Å; E292-N294 PolarHBondContact O-ND2 3.06Å; E292-V1127 HydrophobicContact CB-CG1 3.99Å; E292-R1130 IonicContact OE1-NE 2.88Å; E292-R1130 IonicContact OE2-CZ 2.67Å; E292-R1130 IonicContact OE2-NE 2.77Å; E292-R1130 PolarHBondContact OE2-NE 3.24Å; E292-R1130 IonicContact OE2-NH2 2.75Å; E292-R1130 PolarHBondContact OE2-NH2 2.87Å
293L90.9Very high89.4Confident32 Ų3275.6 Ų75.617%0.16838%0.383CS..THydrogen-bonded Turntrans-76.1-2.5173.3-69.9165.9000113.2I289 I290 Q291 L295 L1103 A1106 V1127 M1131I289-L293 HydrophobicContact CG1-CD1 4.1Å; I289-L293 HydrophobicContact CG1-CG 4.47Å; I289-L293 WeakPolarHBondContact O-CB 3.4Å; I289-L293 WeakPolarHBondContact O-CD1 3.32Å; I289-L293 VanDerWaalsContact O-CG 3.23Å; I289-L293 WeakPolarHBondContact O-CG 3.23Å; I289-L293 PolarHBondContact O-N 2.94Å; I290-L293 PolarHBondContact O-N 3.45Å; Q291-L293 VanDerWaalsContact C-N 3.31Å; Q291-L293 PolarHBondContact O-N 2.98Å; L293-L295 VanDerWaalsContact C-N 3.29Å; L293-L295 HydrophobicContact CB-CD1 4Å; L293-L295 HydrophobicContact CB-CG 3.76Å; L293-L295 HydrophobicContact CD1-CD1 4.26Å; L293-L295 PolarHBondContact O-N 2.97Å; L293-L1103 HydrophobicContact CD1-CD2 4.02Å; L293-A1106 HydrophobicContact CD1-CB 3.97Å; L293-A1106 HydrophobicContact CD2-CB 4.4Å; L293-V1127 HydrophobicContact CD2-CG1 3.71Å; L293-V1127 HydrophobicContact CG-CG1 4.02Å; L293-M1131 HydrophobicContact CD1-CB 4.31Å; L293-M1131 HydrophobicContact CD1-CG 4.06Å; L293-M1131 HydrophobicContact CD1-SD 4.28Å; L293-M1131 HydrophobicContact CD2-SD 4.46Å
294N89.7Confident88.9Confident144 Ų14476.8 Ų76.877%0.7740%0.395SS*.THydrogen-bonded Turntrans55.138.5-176.3-57.1-87.7000113.5I290 Q291 E292I290-N294 PolarHBondContact O-N 2.79Å; Q291-N294 WeakPolarHBondContact O-CA 3.4Å; Q291-N294 PolarHBondContact O-N 2.9Å; E292-N294 PolarHBondContact O-N 2.88Å; E292-N294 PolarHBondContact O-ND2 3.06Å
295L88.7Confident88.3Confident22 Ų2275.9 Ų75.912%0.11540%0.401CS..PPolyproline II helixtrans-94.4123179.9-55.6-176.8000111I290 L293 I312 L315 A1106I290-L295 HydrophobicContact CD1-CD1 3.89Å; I290-L295 HydrophobicContact CG2-CB 4.05Å; I290-L295 WeakPolarHBondContact CG2-O 3.18Å; I290-L295 PolarHBondContact O-N 2.85Å; L293-L295 VanDerWaalsContact C-N 3.29Å; L293-L295 HydrophobicContact CB-CD1 4Å; L293-L295 HydrophobicContact CB-CG 3.76Å; L293-L295 HydrophobicContact CD1-CD1 4.26Å; L293-L295 PolarHBondContact O-N 2.97Å; L295-I312 HydrophobicContact CB-CD1 4.35Å; L295-L315 HydrophobicContact CD1-CD1 4.12Å; L295-L315 HydrophobicContact CD2-CD1 3.41Å; L295-L315 VanDerWaalsContact CD2-CD1 3.41Å; L295-L315 HydrophobicContact CD2-CD2 3.8Å; L295-L315 HydrophobicContact CD2-CG 4.26Å; L295-L315 HydrophobicContact CG-CD1 4.43Å; L295-A1106 HydrophobicContact CD1-CB 4.27Å
296E84.6Confident87.9Confident175 Ų17576.8 Ų76.882%0.81841%0.411SS*.PPolyproline II helixtrans-78.5123.5173.5-169.6171.9-170.100110.1
297I84.6Confident87.6Confident49 Ų4979.4 Ų79.425%0.25143%0.429SS..PPolyproline II helixtrans-94.6130.3172.5-77.8177.7000108.5I290 A1098 C1099I290-I297 HydrophobicContact CG1-CD1 4.43Å; I290-I297 HydrophobicContact CG2-CD1 3.67Å; I290-I297 HydrophobicContact CG2-CG1 3.97Å; I297-A1098 HydrophobicContact CB-CB 4.43Å; I297-A1098 HydrophobicContact CD1-CB 4.12Å; I297-A1098 HydrophobicContact CG1-CB 4.14Å; I297-A1098 HydrophobicContact CG2-CB 3.56Å; I297-C1099 HydrophobicContact CD1-CB 4.22Å; I297-C1099 WeakPolarHBondContact CD1-SG 3.48Å
298L83.9Confident87.5Confident95 Ų9577.5 Ų77.550%0.49742%0.422SS..PPolyproline II helixtrans-63.4139.6171.5-66.3174.1000110.1V308 A309 H1094L298-V308 HydrophobicContact CB-CG1 4.13Å; L298-V308 HydrophobicContact CD1-CG1 3.85Å; L298-A309 WeakPolarHBondContact CD1-O 3.43Å; L298-H1094 PolarHBondContact O-NE2 3.06Å
299P85.3Confident87.4Confident94 Ų9477 Ų7761%0.6143%0.427SS*.PPolyproline II helixtrans-69.9161.3175.830.2-35.5000111.7H1094P299-H1094 VanDerWaalsContact C-NE2 3.32Å; P299-H1094 PolarHBondContact O-NE2 3.21Å
300P86.6Confident87.1Confident58 Ų5877 Ų7738%0.37743%0.426SS..PPolyproline II helixtrans-59.3149.2171.825.4-34.3000111.4E302 H1094P300-E302 PolarHBondContact O-N 2.85Å; P300-H1094 HydrophobicContact CB-CB 4.42Å
301P87.8Confident86.6Confident23 Ų2379.5 Ų79.515%0.14944%0.44CS..PPolyproline II helixtrans-59.3137.1179.321.9-31.9000112.2D303 V308 D1078P301-D303 VanDerWaalsContact C-N 3.26Å; P301-D303 PolarHBondContact O-N 3.12Å; P301-V308 HydrophobicContact CB-CG2 3.95Å; P301-V308 HydrophobicContact CG-CG2 4.47Å; P301-D1078 VanDerWaalsContact CG-C 3.45Å; P301-D1078 WeakPolarHBondContact CG-O 3.49Å
302E82.6Confident86Confident206 Ų20675.4 Ų75.496%0.96342%0.422SS*.SBendtrans-66.6-29.9170-62.2-174.5169.200111.9P300P300-E302 PolarHBondContact O-N 2.85Å
303D83.6Confident85.1Confident83 Ų8374.3 Ų74.344%0.44443%0.432SS..SBendtrans-122.5110.9174.4-177.9-12.2000110.1P301 S305 V306P301-D303 VanDerWaalsContact C-N 3.26Å; P301-D303 PolarHBondContact O-N 3.12Å; D303-S305 PolarHBondContact O-N 2.91Å; D303-S305 VanDerWaalsContact OD1-CB 3.26Å; D303-S305 WeakPolarHBondContact OD1-CB 3.05Å; D303-S305 PolarHBondContact OD1-N 3.19Å; D303-S305 PolarHBondContact OD1-OG 2.69Å; D303-S305 PolarHBondContact OD2-OG 3.29Å; D303-V306 PolarHBondContact O-N 2.89Å
304P79.9Confident84.5Confident76 Ų7676.2 Ų76.249%0.49444%0.439SS..THydrogen-bonded Turntrans-57.3-17.6177.5-27.636.3000115.2V306 D1078P304-V306 PolarHBondContact O-N 3.29Å; P304-D1078 HydrophobicContact CB-CB 4.42Å; P304-D1078 WeakPolarHBondContact CB-O 3.29Å; P304-D1078 WeakPolarHBondContact O-CB 3.25Å
305S80.9Confident84.2Confident89 Ų8973.2 Ų73.262%0.62242%0.422SS*.THydrogen-bonded Turntrans-73-14174.477.20000113.6D303 P307D303-S305 PolarHBondContact O-N 2.91Å; D303-S305 VanDerWaalsContact OD1-CB 3.26Å; D303-S305 WeakPolarHBondContact OD1-CB 3.05Å; D303-S305 PolarHBondContact OD1-N 3.19Å; D303-S305 PolarHBondContact OD1-OG 2.69Å; D303-S305 PolarHBondContact OD2-OG 3.29Å; S305-P307 WeakPolarHBondContact O-CD 3.27Å
306V85.5Confident83.9Confident97 Ų9773.6 Ų73.659%0.58843%0.429SS*.SBendtrans-116.783.9178.7-172.30000109.7D303 P304 V308D303-V306 PolarHBondContact O-N 2.89Å; P304-V306 PolarHBondContact O-N 3.29Å; V306-V308 PolarHBondContact O-N 2.8Å
307P86.8Confident83.9Confident57 Ų5770.9 Ų70.937%0.3742%0.416SS..PPolyproline II helixtrans-71.8129.3-17328.1-35.7000113.1S305 Q1076 S1077S305-P307 WeakPolarHBondContact O-CD 3.27Å; P307-Q1076 HydrophobicContact CB-CB 4.35Å; P307-Q1076 PolarHBondContact O-NE2 3.49Å; P307-S1077 CarbonylContact C-O 3.5Å; P307-S1077 VanDerWaalsContact CA-O 3.23Å; P307-S1077 WeakPolarHBondContact CA-O 3.35Å
308V90.5Very high84Confident38 Ų3869.3 Ų69.323%0.2341%0.407CS..EExtended strand (participates in β ladder)trans-79.3139.7-179.2173.30000110.7L298 P301 V306 Q1076 S1077L298-V308 HydrophobicContact CB-CG1 4.13Å; L298-V308 HydrophobicContact CD1-CG1 3.85Å; P301-V308 HydrophobicContact CB-CG2 3.95Å; P301-V308 HydrophobicContact CG-CG2 4.47Å; V306-V308 PolarHBondContact O-N 2.8Å; V308-Q1076 CarbonylContact O-C 3.49Å; V308-Q1076 VanDerWaalsContact O-CA 3.24Å; V308-Q1076 WeakPolarHBondContact O-CA 3.42Å; V308-S1077 PolarHBondContact N-O 3Å; V308-S1077 PolarHBondContact O-N 2.93Å
309A90.4Very high84Confident51 Ų5172.7 Ų72.742%0.42142%0.42SS..EExtended strand (participates in β ladder)trans-81127.1173.600000110.9L298 V1075L298-A309 WeakPolarHBondContact CD1-O 3.43Å; A309-V1075 CarbonylContact C-O 3.48Å; A309-V1075 WeakPolarHBondContact CA-O 3.19Å
310L88.9Confident83.8Confident6 Ų672.2 Ų72.23%0.03142%0.417CS..  trans-92.1-3.8-177-53.6-169.6000113.9I312 V1075 V1082 H1094 A1097 A1098 T1101L310-I312 PolarHBondContact O-N 3.38Å; L310-I312 VanDerWaalsContact O-N 3.16Å; L310-V1075 HydrophobicContact CB-CB 4.3Å; L310-V1075 HydrophobicContact CB-CG1 3.94Å; L310-V1075 HydrophobicContact CD1-CG1 4.01Å; L310-V1075 HydrophobicContact CG-CG1 4.17Å; L310-V1075 PolarHBondContact N-O 3.25Å; L310-V1082 HydrophobicContact CD1-CG1 4.36Å; L310-V1082 HydrophobicContact CD1-CG2 4.32Å; L310-H1094 WeakPolarHBondContact CD2-CE1 3.23Å; L310-A1097 HydrophobicContact CD1-CB 3.7Å; L310-A1098 HydrophobicContact CD1-CB 4.41Å; L310-A1098 HydrophobicContact CD2-CB 4.41Å; L310-T1101 HydrophobicContact CB-CG2 4.35Å; L310-T1101 WeakPolarHBondContact O-CB 3.47Å; L310-T1101 PolarHBondContact O-OG1 3.21Å
311N82.4Confident83.6Confident60 Ų6071.3 Ų71.332%0.32141%0.412SS..  trans-68.6109.8176-72.979.7000110.2K1073 V1075N311-K1073 PolarHBondContact ND2-O 3.32Å; N311-V1075 PolarHBondContact OD1-N 2.94Å
312I79.4Confident83Confident50 Ų5078.9 Ų78.926%0.25645%0.445SS..PPolyproline II helixtrans-66.3141.1162.8-50.6-167.6000108.1L295 L310 L315 A1105L295-I312 HydrophobicContact CB-CD1 4.35Å; L310-I312 PolarHBondContact O-N 3.38Å; L310-I312 VanDerWaalsContact O-N 3.16Å; I312-L315 HydrophobicContact CG2-CD2 3.95Å; I312-A1105 HydrophobicContact CB-CB 4.11Å; I312-A1105 HydrophobicContact CG2-CB 4.41Å
313G74.6Confident82.3Confident55 Ų5577.1 Ų77.157%0.56743%0.43SS*.PPolyproline II helixtrans-63.1171.7173.800000112.5L315G313-L315 PolarHBondContact O-N 3.05Å
314K78.3Confident81.4Confident73 Ų7377.5 Ų77.532%0.31743%0.429SS..PPolyproline II helixtrans-63.4121.5176.2-71.3-174.3177-174.60109.9D840K314-D840 IonicContact NZ-OD1 3.42Å; K314-D840 PolarHBondContact NZ-OD1 2.92Å; K314-D840 IonicContact NZ-OD2 2.6Å; K314-D840 PolarHBondContact NZ-OD2 3.37Å
315L82.6Confident80.1Confident80 Ų8080.7 Ų80.742%0.41944%0.442SS..SBendtrans-80.2-24.7-177.9-61.3172.4000112.9L295 I312 G313 A1105 A1106 A1109L295-L315 HydrophobicContact CD1-CD1 4.12Å; L295-L315 HydrophobicContact CD2-CD1 3.41Å; L295-L315 VanDerWaalsContact CD2-CD1 3.41Å; L295-L315 HydrophobicContact CD2-CD2 3.8Å; L295-L315 HydrophobicContact CD2-CG 4.26Å; L295-L315 HydrophobicContact CG-CD1 4.43Å; I312-L315 HydrophobicContact CG2-CD2 3.95Å; G313-L315 PolarHBondContact O-N 3.05Å; L315-A1105 HydrophobicContact CD1-CB 3.84Å; L315-A1105 HydrophobicContact CG-CB 3.96Å; L315-A1106 HydrophobicContact CD1-CB 4.27Å; L315-A1109 HydrophobicContact CB-CB 4.08Å
316A83.6Confident78.9Confident31 Ų3184.6 Ų84.626%0.25645%0.45SS..  trans-131.2147.4171.500000110.2A1109 V1112A316-A1109 HydrophobicContact CB-CB 3.65Å; A316-V1112 HydrophobicContact CB-CB 4.15Å; A316-V1112 HydrophobicContact CB-CG1 4.09Å
317H84.6Confident78Confident117 Ų11783.8 Ų83.854%0.54245%0.446SS..  trans-123.8155.8174.8-69.3-81000110.2K1116H317-K1116 PolarHBondContact O-NZ 3.3Å
318F85.4Confident77.2Confident16 Ų1682.2 Ų82.27%0.0744%0.44CS..PPolyproline II helixtrans-72.9133.9156.9-63.2-70000108.2D840 T849 P850 L851 V1112 T1115 K1116F318-D840 HydrophobicContact CD2-CB 4.12Å; F318-D840 HydrophobicContact CE2-CB 3.79Å; F318-T849 HydrophobicContact CB-CG2 4.03Å; F318-T849 HydrophobicContact CD2-CG2 3.59Å; F318-T849 HydrophobicContact CE2-CG2 4.25Å; F318-T849 HydrophobicContact CG-CG2 3.89Å; F318-P850 HydrophobicContact CD1-CG 3.97Å; F318-P850 HydrophobicContact CE1-CB 4.09Å; F318-P850 HydrophobicContact CE1-CG 3.96Å; F318-L851 HydrophobicContact CE2-CB 3.97Å; F318-L851 HydrophobicContact CE2-CD2 4.42Å; F318-L851 HydrophobicContact CZ-CB 3.69Å; F318-V1112 HydrophobicContact CD1-CG1 3.97Å; F318-V1112 HydrophobicContact CD2-CG2 4.43Å; F318-V1112 HydrophobicContact CE1-CB 4.34Å; F318-V1112 HydrophobicContact CE1-CG1 3.8Å; F318-V1112 HydrophobicContact CE2-CG1 4.49Å; F318-V1112 HydrophobicContact CE2-CG2 3.92Å; F318-V1112 HydrophobicContact CG-CG1 4.4Å; F318-V1112 HydrophobicContact CZ-CB 4.17Å; F318-V1112 HydrophobicContact CZ-CG1 4.08Å; F318-V1112 HydrophobicContact CZ-CG2 3.97Å; F318-T1115 VanDerWaalsContact CZ-OG1 3.32Å; F318-T1115 WeakPolarHBondContact CZ-OG1 3.5Å; F318-K1116 HydrophobicContact CE1-CG 4.28Å
319E83.4Confident76.9Confident167 Ų16782.7 Ų82.778%0.7844%0.443SS*.PPolyproline II helixtrans-61.8130.3172.3-67.9178-176.500108.3S321E319-S321 PolarHBondContact O-N 3.49Å; E319-S321 VanDerWaalsContact O-N 3.16Å
320P82.4Confident76.8Confident83 Ų8380.4 Ų80.454%0.53942%0.424SS..PPolyproline II helixtrans-58.9121.3-178.4-25.334.4000111.1
321S81.7Confident76.8Confident39 Ų3981.8 Ų81.827%0.27343%0.433SS..PPolyproline II helixtrans-63.1151.8179.2-46.40000110.2E319 R323 D843 N845E319-S321 PolarHBondContact O-N 3.49Å; E319-S321 VanDerWaalsContact O-N 3.16Å; S321-R323 PolarHBondContact O-N 2.61Å; S321-D843 VanDerWaalsContact CB-OD2 3.23Å; S321-D843 WeakPolarHBondContact CB-OD2 3.46Å; S321-D843 PolarHBondContact N-OD2 3.11Å; S321-D843 PolarHBondContact OG-OD2 3.41Å; S321-N845 PolarHBondContact O-ND2 2.92Å
322Q75.9Confident77.3Confident182 Ų18279.5 Ų79.585%0.8542%0.42SS*.PPolyproline II helixtrans-60.3125.1168.7-69.5-173.80.600109.6Q324Q322-Q324 PolarHBondContact O-N 3.47Å
323R68.1Low77.8Confident170 Ų17077.2 Ų77.264%0.64241%0.408SS*.PPolyproline II helixtrans-58.9121.1-180-163.6-179-155.9178.67.3110S321 N325S321-R323 PolarHBondContact O-N 2.61Å; R323-N325 PolarHBondContact O-N 2.76Å; R323-N325 VanDerWaalsContact O-N 3.08Å
324Q64.4Low78.4Confident90 Ų9076.3 Ų76.342%0.42139%0.392SS..  trans-80.396.9-178.9-65.4-162.5-1400109.6Q322 Q326 E847Q322-Q324 PolarHBondContact O-N 3.47Å; Q324-Q326 VanDerWaalsContact C-N 3.28Å; Q324-Q326 PolarHBondContact O-N 2.84Å; Q324-E847 PolarHBondContact N-OE1 2.87Å
325N52.3Low79Confident144 Ų14474.2 Ų74.277%0.7739%0.386SS*.  trans-75.4-13.6179.3-72.5-16.4000113.7R323R323-N325 PolarHBondContact O-N 2.76Å; R323-N325 VanDerWaalsContact O-N 3.08Å
326Q55.7Low79.1Confident170 Ų17072.5 Ų72.579%0.79438%0.376SS*.SBendtrans-93122.2175.6-70.2-177.7-500109.7Q324 G328Q324-Q326 VanDerWaalsContact C-N 3.28Å; Q324-Q326 PolarHBondContact O-N 2.84Å; Q326-G328 PolarHBondContact O-N 3.32Å
327V66.1Low79Confident81 Ų8173.7 Ų73.749%0.49138%0.382SS..  trans-70.5109.5169.5179.20000107.4
328G70.3Confident79.1Confident24 Ų2470.4 Ų70.425%0.24737%0.369CS..  trans-67.2145.5173.300000110.9Q326 R809Q326-G328 PolarHBondContact O-N 3.32Å; G328-R809 WeakPolarHBondContact CA-O 3.02Å; G328-R809 PolarHBondContact N-O 3.22Å
329V84.7Confident79.2Confident48 Ų4870.4 Ų70.429%0.29137%0.368SS..  trans-110141.8165.7-1770000107.6P331 V530 A533 Y534V329-P331 WeakPolarHBondContact O-CD 3.35Å; V329-V530 HydrophobicContact CG1-CB 4.41Å; V329-V530 HydrophobicContact CG1-CG2 3.82Å; V329-A533 HydrophobicContact CB-CB 4.3Å; V329-A533 HydrophobicContact CG1-CB 3.83Å; V329-A533 HydrophobicContact CG2-CB 4.24Å; V329-Y534 HydrophobicContact CG1-CE2 4.14Å
330V89.1Confident79.6Confident3 Ų363.8 Ų63.82%0.01834%0.338CS..  trans-57.6124.9178.7176.60000109.5W332 L498 I502 V526 V530 L810V330-W332 PolarHBondContact O-N 3.3Å; V330-L498 HydrophobicContact CG1-CB 4.08Å; V330-L498 HydrophobicContact CG1-CD2 3.87Å; V330-L498 HydrophobicContact CG2-CB 4.12Å; V330-L498 HydrophobicContact CG2-CD2 4.32Å; V330-I502 HydrophobicContact CG1-CG1 4.36Å; V330-V526 HydrophobicContact CB-CG1 4.25Å; V330-V526 HydrophobicContact CG2-CG1 3.52Å; V330-V530 HydrophobicContact CB-CG2 3.94Å; V330-L810 HydrophobicContact CG2-CD2 4.24Å
331P87.9Confident80.1Confident34 Ų3459.9 Ų59.922%0.22131%0.313CS..  trans-63.7136-176.8-24.634.5000112.6V329 G501 I502V329-P331 WeakPolarHBondContact O-CD 3.35Å; P331-G501 CarbonylContact O-C 3.12Å; P331-G501 VanDerWaalsContact O-CA 3.24Å; P331-G501 WeakPolarHBondContact O-CA 3.34Å; P331-I502 PolarHBondContact O-N 2.85Å
332W92.6Very high80.5Confident12 Ų1258.7 Ų58.75%0.04530%0.302CS..  trans-130156.1175.5177.882.4000110.7V330 P334 I502 I505 Y534 E536 V537V330-W332 PolarHBondContact O-N 3.3Å; W332-P334 HydrophobicContact CH2-CB 4.15Å; W332-P334 HydrophobicContact CH2-CG 4.4Å; W332-P334 HydrophobicContact CZ2-CB 4.4Å; W332-I502 HydrophobicContact CB-CD1 4.43Å; W332-I502 HydrophobicContact CB-CG1 4.15Å; W332-I502 HydrophobicContact CG-CD1 4.41Å; W332-I502 HydrophobicContact CG-CG1 4.4Å; W332-I505 PolarHBondContact NE1-O 2.71Å; W332-Y534 HydrophobicContact CB-CD2 3.78Å; W332-Y534 HydrophobicContact CB-CE2 4.07Å; W332-Y534 HydrophobicContact CB-CG 4.09Å; W332-Y534 HydrophobicContact CE3-CD1 4.03Å; W332-Y534 AromaticContact CE3-CG 3.9Å; W332-Y534 HydrophobicContact CE3-CG 3.9Å; W332-E536 HydrophobicContact CH2-CB 3.47Å; W332-E536 VanDerWaalsContact CH2-CB 3.47Å; W332-E536 HydrophobicContact CZ2-CB 4.45Å; W332-E536 HydrophobicContact CZ3-CB 3.82Å; W332-V537 HydrophobicContact CD2-CB 4.17Å; W332-V537 HydrophobicContact CD2-CG2 4.48Å; W332-V537 HydrophobicContact CG-CG2 4.48Å; W332-V537 HydrophobicContact CZ2-CB 4.04Å; W332-V537 HydrophobicContact CZ2-CG2 4.37Å
333S89.6Confident81.1Confident2 Ų253.3 Ų53.31%0.01428%0.282CS..  trans-153.7156.1163.577.60000108.7Q336 G504S333-Q336 PolarHBondContact OG-NE2 3.39Å; S333-G504 PolarHBondContact O-N 2.92Å
334P88.6Confident82Confident37 Ų3745.6 Ų45.624%0.2425%0.254CS..  trans-58.7166164.827.9-36.2000110.9W332 Q336W332-P334 HydrophobicContact CH2-CB 4.15Å; W332-P334 HydrophobicContact CH2-CG 4.4Å; W332-P334 HydrophobicContact CZ2-CB 4.4Å; P334-Q336 WeakPolarHBondContact O-CG 3.5Å
335P91Very high82.9Confident28 Ų2842.4 Ų42.418%0.18224%0.242CC..  trans-50.4141.4170.8-3039.9000112.6A436 E437P335-A436 VanDerWaalsContact CB-O 3.3Å; P335-A436 WeakPolarHBondContact CB-O 3.48Å; P335-E437 WeakPolarHBondContact CG-O 3.11Å
336Q84.8Confident84.4Confident45 Ų4536.7 Ų36.721%0.2121%0.211CC..  trans-129145.4-179-52.4-163.520.300109.1D64 S333 P334 W339 H483D64-Q336 PolarHBondContact OD1-NE2 3.32Å; D64-Q336 PolarHBondContact OD1-OE1 3.11Å; S333-Q336 PolarHBondContact OG-NE2 3.39Å; P334-Q336 WeakPolarHBondContact O-CG 3.5Å; Q336-W339 HydrophobicContact CB-CB 4.18Å; Q336-W339 PolarHBondContact O-N 2.87Å; Q336-H483 PolarHBondContact O-CE1 2.75Å
337S81.3Confident85.8Confident55 Ų5529.6 Ų29.639%0.38518%0.179SC..THydrogen-bonded Turntrans-57.2147.1167.5-48.90000110.6W339 P357S337-W339 VanDerWaalsContact C-N 3.25Å; S337-W339 PolarHBondContact O-N 2.64Å; S337-P357 WeakPolarHBondContact OG-CD 3.1Å; S337-P357 WeakPolarHBondContact OG-CG 3.48Å
338N85.4Confident86.1Confident49 Ų4928.7 Ų28.726%0.26217%0.171SC..THydrogen-bonded Turntrans55.839.1179.7-169.6-5.5000112.7N346 I347N338-N346 WeakPolarHBondContact O-CA 3.44Å; N338-N346 PolarHBondContact O-ND2 3.35Å; N338-I347 PolarHBondContact O-N 3.16Å; N338-I347 VanDerWaalsContact OD1-CA 3.31Å; N338-I347 WeakPolarHBondContact OD1-CA 3.35Å; N338-I347 PolarHBondContact OD1-N 3.28Å; N338-I347 PolarHBondContact OD1-O 2.88Å
339W88.7Confident86Confident16 Ų1635.6 Ų35.66%0.06120%0.197CC..EExtended strand (participates in β ladder)trans-137.6125.8171.7-178.5-101.7000111Q336 S337 P341 S344 S345 R503Q336-W339 HydrophobicContact CB-CB 4.18Å; Q336-W339 PolarHBondContact O-N 2.87Å; S337-W339 VanDerWaalsContact C-N 3.25Å; S337-W339 PolarHBondContact O-N 2.64Å; W339-P341 WeakPolarHBondContact O-CD 3.45Å; W339-S344 VanDerWaalsContact CH2-O 3.25Å; W339-S344 WeakPolarHBondContact CH2-O 3.44Å; W339-S344 VanDerWaalsContact CZ2-C 3.45Å; W339-S345 VanDerWaalsContact CE3-C 3.48Å; W339-R503 HydrophobicContact CZ2-CB 4.13Å; W339-R503 PolarHBondContact NE1-O 2.94Å
340N91.4Very high85.7Confident28 Ų2835.4 Ų35.415%0.1520%0.204CC..EExtended strand (participates in β ladder)trans-93.9109.4170.2-176.6-30.3000109.1W342 T343 S344 S345 I347 P482N340-W342 PolarHBondContact O-N 3.1Å; N340-W342 WeakPolarHBondContact OD1-CA 3.44Å; N340-W342 WeakPolarHBondContact OD1-CB 3.46Å; N340-W342 PolarHBondContact OD1-N 3.42Å; N340-T343 WeakPolarHBondContact CB-OG1 3.32Å; N340-T343 PolarHBondContact OD1-N 3.48Å; N340-T343 VanDerWaalsContact OD1-N 3.12Å; N340-S344 WeakPolarHBondContact O-CA 3.32Å; N340-S344 PolarHBondContact O-N 3.21Å; N340-S345 PolarHBondContact N-O 3.04Å; N340-S345 PolarHBondContact O-N 3.15Å; N340-I347 HydrophobicContact CB-CD1 4.46Å; N340-I347 HydrophobicContact CB-CG1 4.03Å; N340-P482 HydrophobicContact CB-CB 4.27Å; N340-P482 HydrophobicContact CB-CG 4.44Å
341P91.8Very high85Confident1 Ų140.7 Ų40.71%0.00624%0.239CC..THydrogen-bonded Turntrans-68.1-24-179.131.5-37.8000112W339 N439 P482 K497 G504 I505W339-P341 WeakPolarHBondContact O-CD 3.45Å; P341-N439 HydrophobicContact CG-CB 4.42Å; P341-P482 WeakPolarHBondContact CD-O 3.31Å; P341-P482 WeakPolarHBondContact CG-O 3.43Å; P341-K497 WeakPolarHBondContact O-CE 3.3Å; P341-K497 PolarHBondContact O-NZ 3.26Å; P341-G504 WeakPolarHBondContact CB-O 3.33Å; P341-I505 HydrophobicContact CB-CG1 4.15Å
342W92.1Very high84.8Confident13 Ų1341.9 Ų41.95%0.04924%0.243CC..THydrogen-bonded Turntrans-80.4-41.7-175.3-47.7129.6000112.2N340 N439 I440 V441 L479 R481 S485 M487 K497 I505N340-W342 PolarHBondContact O-N 3.1Å; N340-W342 WeakPolarHBondContact OD1-CA 3.44Å; N340-W342 WeakPolarHBondContact OD1-CB 3.46Å; N340-W342 PolarHBondContact OD1-N 3.42Å; W342-N439 HydrophobicContact CH2-CB 4.08Å; W342-N439 HydrophobicContact CZ2-CB 3.86Å; W342-I440 WeakPolarHBondContact CH2-O 3.49Å; W342-V441 HydrophobicContact CZ3-CB 4.27Å; W342-L479 HydrophobicContact CB-CD1 4.46Å; W342-R481 PolarHBondContact NE1-O 3.23Å; W342-S485 WeakPolarHBondContact CZ2-OG 3.25Å; W342-S485 PolarHBondContact NE1-OG 3.43Å; W342-M487 HydrophobicContact CB-SD 4.4Å; W342-M487 HydrophobicContact CD2-CB 4.21Å; W342-M487 HydrophobicContact CD2-SD 4.07Å; W342-M487 HydrophobicContact CE3-CB 3.89Å; W342-M487 HydrophobicContact CE3-CE 3.52Å; W342-M487 HydrophobicContact CE3-CG 4.36Å; W342-M487 HydrophobicContact CE3-SD 3.59Å; W342-M487 VanDerWaalsContact CE3-SD 3.59Å; W342-M487 HydrophobicContact CG-SD 4.41Å; W342-M487 HydrophobicContact CH2-CB 3.98Å; W342-M487 HydrophobicContact CZ2-CB 4.27Å; W342-M487 HydrophobicContact CZ3-CB 3.78Å; W342-M487 HydrophobicContact CZ3-CE 3.77Å; W342-M487 HydrophobicContact CZ3-SD 4.25Å; W342-K497 PolarHBondContact O-NZ 3.44Å; W342-I505 HydrophobicContact CH2-CG1 4.37Å; W342-I505 HydrophobicContact CZ3-CD1 3.96Å; W342-I505 HydrophobicContact CZ3-CG1 3.97Å
343T87.9Confident84.1Confident69 Ų6941.8 Ų41.842%0.42325%0.245SC..THydrogen-bonded Turntrans-87.4-6.9172.658.80000113.8N340 S345 L479N340-T343 WeakPolarHBondContact CB-OG1 3.32Å; N340-T343 PolarHBondContact OD1-N 3.48Å; N340-T343 VanDerWaalsContact OD1-N 3.12Å; T343-S345 VanDerWaalsContact C-N 3.33Å; T343-S345 PolarHBondContact O-N 3.11Å; T343-S345 PolarHBondContact OG1-OG 2.9Å; T343-L479 HydrophobicContact CG2-CD1 3.95Å
344S86.1Confident83.7Confident9 Ų950.2 Ų50.26%0.06328%0.281CS..THydrogen-bonded Turntrans53.348.3-174.2-61.40000112.1W339 N340 K497W339-S344 VanDerWaalsContact CH2-O 3.25Å; W339-S344 WeakPolarHBondContact CH2-O 3.44Å; W339-S344 VanDerWaalsContact CZ2-C 3.45Å; N340-S344 WeakPolarHBondContact O-CA 3.32Å; N340-S344 PolarHBondContact O-N 3.21Å; S344-K497 PolarHBondContact OG-NZ 3.36Å
345S84.4Confident83.6Confident22 Ų2249 Ų4915%0.15427%0.274CS..EExtended strand (participates in β ladder)trans-147.1156.3-175.469.40000113.6N50 W339 N340 T343N50-S345 VanDerWaalsContact ND2-CA 3.33Å; N50-S345 WeakPolarHBondContact ND2-CA 3.34Å; N50-S345 VanDerWaalsContact ND2-CB 3.34Å; N50-S345 WeakPolarHBondContact ND2-CB 3.22Å; W339-S345 VanDerWaalsContact CE3-C 3.48Å; N340-S345 PolarHBondContact N-O 3.04Å; N340-S345 PolarHBondContact O-N 3.15Å; T343-S345 VanDerWaalsContact C-N 3.33Å; T343-S345 PolarHBondContact O-N 3.11Å; T343-S345 PolarHBondContact OG1-OG 2.9Å
346N83.6Confident83.4Confident25 Ų2550.7 Ų50.713%0.13429%0.285CS..EExtended strand (participates in β ladder)trans-63.5155.8168.2-64.1104.3000111.8N50 N338N50-N346 PolarHBondContact N-OD1 3.43Å; N50-N346 VanDerWaalsContact N-OD1 3.07Å; N50-N346 WeakPolarHBondContact OD1-CB 3.41Å; N50-N346 PolarHBondContact OD1-N 2.91Å; N50-N346 VanDerWaalsContact OD1-N 3.08Å; N50-N346 PolarHBondContact OD1-OD1 2.7Å; N50-N346 VanDerWaalsContact OD1-OD1 3.06Å; N338-N346 WeakPolarHBondContact O-CA 3.44Å; N338-N346 PolarHBondContact O-ND2 3.35Å
347I84.2Confident83.6Confident21 Ų2150.8 Ų50.811%0.10829%0.289CS..  trans-97.780.2179.1-54.9173.8000107.3N338 N340 E349 L352 A353 P482N338-I347 PolarHBondContact O-N 3.16Å; N338-I347 VanDerWaalsContact OD1-CA 3.31Å; N338-I347 WeakPolarHBondContact OD1-CA 3.35Å; N338-I347 PolarHBondContact OD1-N 3.28Å; N338-I347 PolarHBondContact OD1-O 2.88Å; N340-I347 HydrophobicContact CB-CD1 4.46Å; N340-I347 HydrophobicContact CB-CG1 4.03Å; I347-E349 PolarHBondContact O-N 3.04Å; I347-L352 HydrophobicContact CD1-CB 4.41Å; I347-L352 HydrophobicContact CG2-CB 4.23Å; I347-A353 HydrophobicContact CG2-CB 4.45Å; I347-A353 WeakPolarHBondContact O-CA 3.27Å; I347-A353 WeakPolarHBondContact O-CB 3.41Å; I347-P482 HydrophobicContact CD1-CB 3.83Å; I347-P482 HydrophobicContact CD1-CG 3.96Å
348D72.8Confident84.1Confident61 Ų6154.1 Ų54.133%0.32630%0.298SS..  trans-71-14-170.7-56.5-54.4000114.6K33K33-D348 WeakPolarHBondContact CE-OD2 3.3Å; K33-D348 IonicContact NZ-OD2 2.66Å; K33-D348 PolarHBondContact NZ-OD2 2.77Å
349E69.1Low84.4Confident170 Ų17056.7 Ų56.779%0.79431%0.309SS*.SBendtrans-139.4152.3-171.5-66.4176.9-169.400112.2I347I347-E349 PolarHBondContact O-N 3.04Å
350G76.8Confident84.5Confident43 Ų4356.2 Ų56.244%0.44331%0.307SS..SBendtrans89.6177.817600000115L352 A353G350-L352 VanDerWaalsContact C-N 3.32Å; G350-L352 PolarHBondContact O-N 2.83Å; G350-A353 VanDerWaalsContact O-CB 3.25Å; G350-A353 WeakPolarHBondContact O-CB 3.33Å; G350-A353 PolarHBondContact O-N 3.43Å
351P76Confident84.7Confident114 Ų11455 Ų5574%0.7430%0.301SS*.G310 helixtrans-63.5-35.2-174.123.9-33.3000113.1A353 F354 A355P351-A353 PolarHBondContact O-N 3.42Å; P351-F354 PolarHBondContact O-N 2.87Å; P351-A355 WeakPolarHBondContact O-CB 3.47Å; P351-A355 PolarHBondContact O-N 2.82Å; P351-A355 VanDerWaalsContact O-N 3.07Å
352L81.9Confident84.8Confident60 Ų6060.5 Ų60.531%0.31433%0.328SS..G310 helixtrans-66.7-14.2178.1-65.1177.1000114.1I347 G350 F354 I360 P482I347-L352 HydrophobicContact CD1-CB 4.41Å; I347-L352 HydrophobicContact CG2-CB 4.23Å; G350-L352 VanDerWaalsContact C-N 3.32Å; G350-L352 PolarHBondContact O-N 2.83Å; L352-F354 VanDerWaalsContact C-N 3.26Å; L352-F354 PolarHBondContact O-N 2.91Å; L352-I360 HydrophobicContact CD2-CD1 4.08Å; L352-I360 HydrophobicContact CD2-CG1 3.88Å; L352-P482 HydrophobicContact CD1-CG 4.18Å
353A79Confident84.8Confident10 Ų1064 Ų648%0.08335%0.348CS..G310 helixtrans-68.3-27.617500000112.7I347 G350 P351I347-A353 HydrophobicContact CG2-CB 4.45Å; I347-A353 WeakPolarHBondContact O-CA 3.27Å; I347-A353 WeakPolarHBondContact O-CB 3.41Å; G350-A353 VanDerWaalsContact O-CB 3.25Å; G350-A353 WeakPolarHBondContact O-CB 3.33Å; G350-A353 PolarHBondContact O-N 3.43Å; P351-A353 PolarHBondContact O-N 3.42Å
354F81.2Confident85.1Confident178 Ų17861.8 Ų61.878%0.78133%0.333SS*.THydrogen-bonded Turntrans-123.6-13.2-171.7-53.1-72.8000114.1P351 L352P351-F354 PolarHBondContact O-N 2.87Å; L352-F354 VanDerWaalsContact C-N 3.26Å; L352-F354 PolarHBondContact O-N 2.91Å
355A85.3Confident85.5Confident11 Ų1163.6 Ų63.69%0.09134%0.34CS..  trans-66.2142.4177.200000112P351 I360P351-A355 WeakPolarHBondContact O-CB 3.47Å; P351-A355 PolarHBondContact O-N 2.82Å; P351-A355 VanDerWaalsContact O-N 3.07Å; A355-I360 HydrophobicContact CB-CD1 4.13Å; A355-I360 HydrophobicContact CB-CG1 3.72Å
356T88.7Confident85.9Confident65 Ų6566.8 Ų66.840%0.39936%0.355SS..  trans-80.3160.2174.679.70000110.9E358 Q359 I360T356-E358 WeakPolarHBondContact CB-OE2 3.25Å; T356-E358 PolarHBondContact O-N 2.83Å; T356-E358 PolarHBondContact OG1-OE2 3.37Å; T356-Q359 PolarHBondContact O-N 3.47Å; T356-Q359 PolarHBondContact OG1-N 3.49Å; T356-I360 WeakPolarHBondContact O-CG1 3.36Å; T356-I360 PolarHBondContact O-N 3.11Å
357P87.9Confident86.3Confident46 Ų4669.3 Ų69.330%0.29937%0.366SS..Hα-helixtrans-56.4-34.8176.9-2536.1000113.3S337 S361 A436S337-P357 WeakPolarHBondContact OG-CD 3.1Å; S337-P357 WeakPolarHBondContact OG-CG 3.48Å; P357-S361 VanDerWaalsContact O-CB 3.31Å; P357-S361 WeakPolarHBondContact O-CB 3.09Å; P357-S361 PolarHBondContact O-N 2.84Å; P357-S361 PolarHBondContact O-OG 2.86Å; P357-A436 HydrophobicContact CB-CB 3.82Å; P357-A436 WeakPolarHBondContact O-CB 3.38Å
358E91.7Very high86.5Confident126 Ų12669.3 Ų69.359%0.58937%0.366SS*.Hα-helixtrans-69.1-44.2178.6-51.973.5-159.200110.7T356 S361 M362T356-E358 WeakPolarHBondContact CB-OE2 3.25Å; T356-E358 PolarHBondContact O-N 2.83Å; T356-E358 PolarHBondContact OG1-OE2 3.37Å; E358-S361 PolarHBondContact O-N 2.87Å; E358-M362 WeakPolarHBondContact O-CB 3.39Å; E358-M362 PolarHBondContact O-N 3.42Å
359Q91.5Very high87.4Confident102 Ų10269.8 Ų69.848%0.47737%0.368SS..Hα-helixtrans-63-47.8176-176.2174.54.400111.2T356 S361 M362 D363T356-Q359 PolarHBondContact O-N 3.47Å; T356-Q359 PolarHBondContact OG1-N 3.49Å; Q359-S361 PolarHBondContact O-N 2.79Å; Q359-M362 PolarHBondContact O-N 2.67Å; Q359-D363 WeakPolarHBondContact O-CB 3.19Å; Q359-D363 VanDerWaalsContact O-CG 3.27Å; Q359-D363 PolarHBondContact O-N 2.78Å
360I91.3Very high88.4Confident6 Ų668.9 Ų68.93%0.03136%0.358CS..Hα-helixtrans-56.4-42.7175.7-66.8169000110.5L352 A355 T356 L364 A436 H483L352-I360 HydrophobicContact CD2-CD1 4.08Å; L352-I360 HydrophobicContact CD2-CG1 3.88Å; A355-I360 HydrophobicContact CB-CD1 4.13Å; A355-I360 HydrophobicContact CB-CG1 3.72Å; T356-I360 WeakPolarHBondContact O-CG1 3.36Å; T356-I360 PolarHBondContact O-N 3.11Å; I360-L364 HydrophobicContact CG2-CD1 3.71Å; I360-L364 WeakPolarHBondContact O-CB 3.5Å; I360-L364 WeakPolarHBondContact O-CD1 3.36Å; I360-L364 WeakPolarHBondContact O-CG 3.48Å; I360-L364 PolarHBondContact O-N 2.94Å; I360-L364 VanDerWaalsContact O-N 3.16Å; I360-A436 HydrophobicContact CB-CB 4.21Å; I360-A436 HydrophobicContact CG2-CB 4.02Å; I360-H483 HydrophobicContact CG2-CB 3.98Å
361S94.6Very high88.9Confident3 Ų368.5 Ų68.52%0.02135%0.345CS..Hα-helixtrans-70-41.2-178.6-56.60000112.7P357 E358 Q359 K365 D433 A435 A436P357-S361 VanDerWaalsContact O-CB 3.31Å; P357-S361 WeakPolarHBondContact O-CB 3.09Å; P357-S361 PolarHBondContact O-N 2.84Å; P357-S361 PolarHBondContact O-OG 2.86Å; E358-S361 PolarHBondContact O-N 2.87Å; Q359-S361 PolarHBondContact O-N 2.79Å; S361-K365 WeakPolarHBondContact O-CB 3.43Å; S361-K365 PolarHBondContact O-N 2.85Å; S361-D433 VanDerWaalsContact CB-O 3.27Å; S361-D433 WeakPolarHBondContact CB-O 3.47Å; S361-A435 PolarHBondContact OG-N 3.25Å; S361-A435 VanDerWaalsContact OG-N 3.17Å; S361-A436 WeakPolarHBondContact OG-CB 3.41Å; S361-A436 PolarHBondContact OG-N 3.22Å
362M94.4Very high89.5Confident116 Ų11665.4 Ų65.457%0.57132%0.322SS*.Hα-helixtrans-66.9-44.6177.5-170.2173.1-172.700111.8E358 Q359 L364 K365 N366E358-M362 WeakPolarHBondContact O-CB 3.39Å; E358-M362 PolarHBondContact O-N 3.42Å; Q359-M362 PolarHBondContact O-N 2.67Å; M362-L364 PolarHBondContact O-N 3.15Å; M362-K365 PolarHBondContact O-N 2.84Å; M362-N366 WeakPolarHBondContact O-CB 3.4Å; M362-N366 PolarHBondContact O-N 3.26Å; M362-N366 PolarHBondContact O-ND2 3.33Å; M362-N366 VanDerWaalsContact O-ND2 3.11Å
363D93.1Very high89.8Confident88 Ų8869 Ų6947%0.47134%0.337SS..Hα-helixtrans-60.9-45.6178.4-71.5-19.1000111.2Q359 N366 E367Q359-D363 WeakPolarHBondContact O-CB 3.19Å; Q359-D363 VanDerWaalsContact O-CG 3.27Å; Q359-D363 PolarHBondContact O-N 2.78Å; D363-N366 PolarHBondContact O-N 2.81Å; D363-E367 PolarHBondContact O-N 3.5Å
364L93.3Very high90.2Very high22 Ų2274 Ų7412%0.11536%0.359CS..Hα-helixtrans-69.6-34.7179.6-70.2169.5000113.4I360 M362 L368 A435 A484I360-L364 HydrophobicContact CG2-CD1 3.71Å; I360-L364 WeakPolarHBondContact O-CB 3.5Å; I360-L364 WeakPolarHBondContact O-CD1 3.36Å; I360-L364 WeakPolarHBondContact O-CG 3.48Å; I360-L364 PolarHBondContact O-N 2.94Å; I360-L364 VanDerWaalsContact O-N 3.16Å; M362-L364 PolarHBondContact O-N 3.15Å; L364-L368 WeakPolarHBondContact O-CB 3.43Å; L364-L368 PolarHBondContact O-N 2.95Å; L364-A435 HydrophobicContact CB-CB 4.29Å; L364-A435 HydrophobicContact CD1-CB 4.16Å; L364-A484 HydrophobicContact CD1-CB 3.68Å
365K94.3Very high90.6Very high46 Ų4668.1 Ų68.120%0.234%0.335CS..Hα-helixtrans-67.2-43.2173.1-177.5177.1178.1166.90111.2S361 M362 L368 M369 I430 Q431 D433S361-K365 WeakPolarHBondContact O-CB 3.43Å; S361-K365 PolarHBondContact O-N 2.85Å; M362-K365 PolarHBondContact O-N 2.84Å; K365-L368 PolarHBondContact O-N 2.93Å; K365-M369 HydrophobicContact CG-CG 4.47Å; K365-M369 WeakPolarHBondContact O-CB 3.34Å; K365-M369 VanDerWaalsContact O-CG 3.25Å; K365-M369 WeakPolarHBondContact O-CG 3.3Å; K365-M369 PolarHBondContact O-N 3.24Å; K365-I430 HydrophobicContact CB-CG2 4.03Å; K365-I430 WeakPolarHBondContact CD-O 3.2Å; K365-I430 HydrophobicContact CG-CG2 4.37Å; K365-Q431 WeakPolarHBondContact CE-O 3.24Å; K365-Q431 PolarHBondContact NZ-O 2.85Å; K365-D433 WeakPolarHBondContact CD-OD1 3.48Å; K365-D433 WeakPolarHBondContact CE-OD1 3.44Å; K365-D433 IonicContact NZ-OD1 3.18Å; K365-D433 PolarHBondContact NZ-OD1 3.22Å; K365-D433 IonicContact NZ-OD2 3.7Å; K365-D433 PolarHBondContact NZ-OD2 2.76Å
366N93.9Very high90.7Very high89 Ų8974.2 Ų74.248%0.47636%0.361SS..Hα-helixtrans-63.3-41.9175.7-69.1-27.4000111.7M362 D363 M369 Y370M362-N366 WeakPolarHBondContact O-CB 3.4Å; M362-N366 PolarHBondContact O-N 3.26Å; M362-N366 PolarHBondContact O-ND2 3.33Å; M362-N366 VanDerWaalsContact O-ND2 3.11Å; D363-N366 PolarHBondContact O-N 2.81Å; N366-M369 PolarHBondContact O-N 3.02Å; N366-Y370 WeakPolarHBondContact O-CB 3.43Å; N366-Y370 PolarHBondContact O-N 3.06Å
367E90.9Very high90.6Very high78 Ų7877.1 Ų77.136%0.36438%0.375SS..Hα-helixtrans-59.1-48.1174.3-173.9-175.7-175.400111.4D363 Y370 Q371 R481D363-E367 PolarHBondContact O-N 3.5Å; E367-Y370 PolarHBondContact O-N 2.96Å; E367-Q371 WeakPolarHBondContact O-CG 3.31Å; E367-Q371 PolarHBondContact O-N 3.24Å; E367-Q371 PolarHBondContact OE1-NE2 2.84Å; E367-R481 IonicContact OE2-NH1 2.73Å
368L89.4Confident90.6Very high21 Ų2175.2 Ų75.211%0.1136%0.362CS..Hα-helixtrans-63.9-46.1179.1-178.962.8000112L364 K365 Y370 Q371 L372 I430L364-L368 WeakPolarHBondContact O-CB 3.43Å; L364-L368 PolarHBondContact O-N 2.95Å; K365-L368 PolarHBondContact O-N 2.93Å; L368-Y370 VanDerWaalsContact C-N 3.34Å; L368-Y370 PolarHBondContact O-N 2.94Å; L368-Q371 PolarHBondContact O-N 3.26Å; L368-L372 HydrophobicContact CD1-CD1 4.29Å; L368-L372 HydrophobicContact CD1-CG 4.29Å; L368-L372 HydrophobicContact CG-CD1 3.97Å; L368-L372 HydrophobicContact CG-CG 4.4Å; L368-L372 VanDerWaalsContact O-CG 3.25Å; L368-L372 WeakPolarHBondContact O-CG 3.33Å; L368-L372 PolarHBondContact O-N 3.43Å; L368-I430 HydrophobicContact CB-CG2 4.41Å; L368-I430 HydrophobicContact CD2-CB 4.32Å; L368-I430 HydrophobicContact CD2-CD1 4.2Å; L368-I430 HydrophobicContact CD2-CG2 3.69Å
369M90.7Very high90.4Very high72 Ų7272.4 Ų72.436%0.35535%0.349SS..Hα-helixtrans-61.7-42.3178.6-68.3-66.8131.500111.5K365 N366 Q371 L372 E373K365-M369 HydrophobicContact CG-CG 4.47Å; K365-M369 WeakPolarHBondContact O-CB 3.34Å; K365-M369 VanDerWaalsContact O-CG 3.25Å; K365-M369 WeakPolarHBondContact O-CG 3.3Å; K365-M369 PolarHBondContact O-N 3.24Å; N366-M369 PolarHBondContact O-N 3.02Å; M369-Q371 PolarHBondContact O-N 3.02Å; M369-L372 HydrophobicContact CE-CD1 4.07Å; M369-L372 PolarHBondContact O-N 3.35Å; M369-L372 HydrophobicContact SD-CD1 4.46Å; M369-E373 WeakPolarHBondContact O-CG 3.37Å; M369-E373 PolarHBondContact O-N 3.47Å
370Y90.4Very high90.2Very high150 Ų15069.9 Ų69.959%0.58835%0.345SS*.Hα-helixtrans-62-42.3175.5179.4-97.7000112.4N366 E367 L368 E373 Q374N366-Y370 WeakPolarHBondContact O-CB 3.43Å; N366-Y370 PolarHBondContact O-N 3.06Å; E367-Y370 PolarHBondContact O-N 2.96Å; L368-Y370 VanDerWaalsContact C-N 3.34Å; L368-Y370 PolarHBondContact O-N 2.94Å; Y370-E373 PolarHBondContact O-N 2.92Å; Y370-Q374 HydrophobicContact CD2-CG 4.14Å; Y370-Q374 HydrophobicContact CE1-CG 4.19Å; Y370-Q374 HydrophobicContact CE2-CG 3.79Å; Y370-Q374 HydrophobicContact CG-CG 4.49Å; Y370-Q374 WeakPolarHBondContact O-CB 3.35Å; Y370-Q374 VanDerWaalsContact O-CG 3.29Å; Y370-Q374 WeakPolarHBondContact O-CG 3.22Å; Y370-Q374 PolarHBondContact O-N 3.32Å; Y370-Q374 VanDerWaalsContact O-N 3.13Å
371Q87.8Confident90.1Very high35 Ų3570.6 Ų70.616%0.16435%0.349CS..Hα-helixtrans-62.5-46174.9-72.3170.7600111.5E367 L368 M369 E373 Q374 D375 L378E367-Q371 WeakPolarHBondContact O-CG 3.31Å; E367-Q371 PolarHBondContact O-N 3.24Å; E367-Q371 PolarHBondContact OE1-NE2 2.84Å; L368-Q371 PolarHBondContact O-N 3.26Å; M369-Q371 PolarHBondContact O-N 3.02Å; Q371-E373 VanDerWaalsContact C-N 3.29Å; Q371-E373 PolarHBondContact O-N 3.25Å; Q371-Q374 PolarHBondContact O-N 2.65Å; Q371-D375 VanDerWaalsContact O-CB 3.31Å; Q371-D375 WeakPolarHBondContact O-CB 3.5Å; Q371-D375 PolarHBondContact O-N 3.41Å; Q371-L378 HydrophobicContact CB-CD2 4.3Å
372L87.4Confident89.9Confident50 Ų5072.9 Ų72.926%0.26236%0.361SS..Hα-helixtrans-61.7-32.8178.4-69.9170.9000113.5L368 M369 L378 Q379 L382L368-L372 HydrophobicContact CD1-CD1 4.29Å; L368-L372 HydrophobicContact CD1-CG 4.29Å; L368-L372 HydrophobicContact CG-CD1 3.97Å; L368-L372 HydrophobicContact CG-CG 4.4Å; L368-L372 VanDerWaalsContact O-CG 3.25Å; L368-L372 WeakPolarHBondContact O-CG 3.33Å; L368-L372 PolarHBondContact O-N 3.43Å; M369-L372 HydrophobicContact CE-CD1 4.07Å; M369-L372 PolarHBondContact O-N 3.35Å; M369-L372 HydrophobicContact SD-CD1 4.46Å; L372-L378 HydrophobicContact CD2-CD2 4.07Å; L372-L378 HydrophobicContact CD2-CG 4.42Å; L372-Q379 PolarHBondContact O-NE2 3.13Å; L372-L382 HydrophobicContact CD2-CD1 3.36Å
373E88.6Confident89.6Confident134 Ų13473.7 Ų73.763%0.62636%0.363SS*.Hα-helixtrans-77.5-35.4177.3-75.1-178.4-179.100113.5M369 Y370 Q371M369-E373 WeakPolarHBondContact O-CG 3.37Å; M369-E373 PolarHBondContact O-N 3.47Å; Y370-E373 PolarHBondContact O-N 2.92Å; Q371-E373 VanDerWaalsContact C-N 3.29Å; Q371-E373 PolarHBondContact O-N 3.25Å
374Q88.4Confident89.2Confident117 Ų11774.9 Ų74.955%0.54737%0.366SS..Hα-helixtrans-98.4-26.2-170.6-60.7-61.7-50.900114.5Y370 Q371Y370-Q374 HydrophobicContact CD2-CG 4.14Å; Y370-Q374 HydrophobicContact CE1-CG 4.19Å; Y370-Q374 HydrophobicContact CE2-CG 3.79Å; Y370-Q374 HydrophobicContact CG-CG 4.49Å; Y370-Q374 WeakPolarHBondContact O-CB 3.35Å; Y370-Q374 VanDerWaalsContact O-CG 3.29Å; Y370-Q374 WeakPolarHBondContact O-CG 3.22Å; Y370-Q374 PolarHBondContact O-N 3.32Å; Y370-Q374 VanDerWaalsContact O-N 3.13Å; Q371-Q374 PolarHBondContact O-N 2.65Å
375D89.4Confident89.1Confident53 Ų5374.9 Ų74.928%0.28336%0.364SS..  trans-97.1102.8-174-169.6-23.9000111.9Q371 D377 L378 Q379Q371-D375 VanDerWaalsContact O-CB 3.31Å; Q371-D375 WeakPolarHBondContact O-CB 3.5Å; Q371-D375 PolarHBondContact O-N 3.41Å; D375-D377 WeakPolarHBondContact OD1-CA 3.43Å; D375-D377 PolarHBondContact OD1-N 3.4Å; D375-L378 HydrophobicContact CB-CB 3.74Å; D375-L378 HydrophobicContact CB-CD2 4.41Å; D375-L378 VanDerWaalsContact CG-CB 3.48Å; D375-L378 PolarHBondContact OD1-N 2.82Å; D375-Q379 WeakPolarHBondContact O-CG 3.45Å; D375-Q379 PolarHBondContact O-N 3.5Å; D375-Q379 VanDerWaalsContact O-N 3.14Å
376H86.2Confident88.8Confident139 Ų13978.8 Ų78.864%0.64438%0.383SS*.Hα-helixtrans-70.3-27.4177.3-70-47.9000113.9Q379 A380H376-Q379 PolarHBondContact ND1-OE1 3.08Å; H376-Q379 VanDerWaalsContact ND1-OE1 3.07Å; H376-Q379 PolarHBondContact O-N 3.19Å; H376-A380 PolarHBondContact O-N 2.99Å
377D86.3Confident88.5Confident127 Ų12781.7 Ų81.768%0.67940%0.398SS*.Hα-helixtrans-74.9-39.4177.7-70-29.4000109.5D375 Q379 A380 I381D375-D377 WeakPolarHBondContact OD1-CA 3.43Å; D375-D377 PolarHBondContact OD1-N 3.4Å; D377-Q379 VanDerWaalsContact C-N 3.34Å; D377-Q379 PolarHBondContact O-N 3.34Å; D377-A380 WeakPolarHBondContact O-CB 3.32Å; D377-A380 PolarHBondContact O-N 3.31Å; D377-I381 VanDerWaalsContact O-CG1 3.32Å; D377-I381 WeakPolarHBondContact O-CG1 3.45Å; D377-I381 PolarHBondContact O-N 3.38Å
378L88.7Confident88.3Confident5 Ų580.2 Ų80.23%0.02639%0.392CS..Hα-helixtrans-58.6-42.6169.8-179.857.7000112.1Q371 L372 D375 A380 I381 L382Q371-L378 HydrophobicContact CB-CD2 4.3Å; L372-L378 HydrophobicContact CD2-CD2 4.07Å; L372-L378 HydrophobicContact CD2-CG 4.42Å; D375-L378 HydrophobicContact CB-CB 3.74Å; D375-L378 HydrophobicContact CB-CD2 4.41Å; D375-L378 VanDerWaalsContact CG-CB 3.48Å; D375-L378 PolarHBondContact OD1-N 2.82Å; L378-A380 VanDerWaalsContact C-N 3.31Å; L378-A380 PolarHBondContact O-N 2.79Å; L378-I381 PolarHBondContact O-N 2.84Å; L378-L382 HydrophobicContact CD1-CD1 4.39Å; L378-L382 HydrophobicContact CD1-CG 4.4Å; L378-L382 HydrophobicContact CG-CD1 4.14Å; L378-L382 VanDerWaalsContact O-CG 3.32Å; L378-L382 WeakPolarHBondContact O-CG 3.1Å; L378-L382 PolarHBondContact O-N 3.19Å
379Q88.2Confident88.2Confident67 Ų6780 Ų8031%0.31339%0.393SS..Hα-helixtrans-59.4-39.6174.9-72.4168.64.200112.3L372 D375 H376 D377 Q383L372-Q379 PolarHBondContact O-NE2 3.13Å; D375-Q379 WeakPolarHBondContact O-CG 3.45Å; D375-Q379 PolarHBondContact O-N 3.5Å; D375-Q379 VanDerWaalsContact O-N 3.14Å; H376-Q379 PolarHBondContact ND1-OE1 3.08Å; H376-Q379 VanDerWaalsContact ND1-OE1 3.07Å; H376-Q379 PolarHBondContact O-N 3.19Å; D377-Q379 VanDerWaalsContact C-N 3.34Å; D377-Q379 PolarHBondContact O-N 3.34Å; Q379-Q383 WeakPolarHBondContact O-CG 3.39Å; Q379-Q383 PolarHBondContact O-N 3.48Å
380A87.8Confident88.3Confident49 Ų4976.6 Ų76.641%0.40538%0.376SS..Hα-helixtrans-67.4-42.3175.200000112.1H376 D377 L378 L382 Q383 E384H376-A380 PolarHBondContact O-N 2.99Å; D377-A380 WeakPolarHBondContact O-CB 3.32Å; D377-A380 PolarHBondContact O-N 3.31Å; L378-A380 VanDerWaalsContact C-N 3.31Å; L378-A380 PolarHBondContact O-N 2.79Å; A380-L382 VanDerWaalsContact C-N 3.31Å; A380-L382 PolarHBondContact O-N 2.83Å; A380-Q383 WeakPolarHBondContact O-CB 3.42Å; A380-Q383 PolarHBondContact O-N 2.73Å; A380-E384 PolarHBondContact O-N 2.81Å; A380-E384 VanDerWaalsContact O-N 3.14Å
381I88.9Confident88.4Confident21 Ų2172.5 Ų72.511%0.10836%0.361CS..Hα-helixtrans-64.8-35.3178-63.5161.6000111.6D377 L378 E384 R385 F459 E460D377-I381 VanDerWaalsContact O-CG1 3.32Å; D377-I381 WeakPolarHBondContact O-CG1 3.45Å; D377-I381 PolarHBondContact O-N 3.38Å; L378-I381 PolarHBondContact O-N 2.84Å; I381-E384 WeakPolarHBondContact O-CB 3.35Å; I381-E384 PolarHBondContact O-N 3.33Å; I381-R385 WeakPolarHBondContact O-CG 3.17Å; I381-R385 PolarHBondContact O-N 3.23Å; I381-F459 HydrophobicContact CD1-CD1 4.43Å; I381-F459 HydrophobicContact CD1-CE1 3.81Å; I381-F459 HydrophobicContact CD1-CZ 3.89Å; I381-F459 HydrophobicContact CG1-CE1 4.26Å; I381-E460 HydrophobicContact CG2-CB 4.35Å; I381-E460 HydrophobicContact CG2-CG 4.1Å
382L88.9Confident88.6Confident52 Ų5279.4 Ų79.427%0.27239%0.39SS..Hα-helixtrans-63.5-39.7174.1-72.7163.9000112.1L372 L378 A380 E384 R385 E386L372-L382 HydrophobicContact CD2-CD1 3.36Å; L378-L382 HydrophobicContact CD1-CD1 4.39Å; L378-L382 HydrophobicContact CD1-CG 4.4Å; L378-L382 HydrophobicContact CG-CD1 4.14Å; L378-L382 VanDerWaalsContact O-CG 3.32Å; L378-L382 WeakPolarHBondContact O-CG 3.1Å; L378-L382 PolarHBondContact O-N 3.19Å; A380-L382 VanDerWaalsContact C-N 3.31Å; A380-L382 PolarHBondContact O-N 2.83Å; L382-E384 VanDerWaalsContact C-N 3.32Å; L382-E384 PolarHBondContact O-N 3.31Å; L382-R385 WeakPolarHBondContact O-CB 3.29Å; L382-R385 PolarHBondContact O-N 3.2Å; L382-E386 PolarHBondContact O-N 3.45Å
383Q89.1Confident89Confident132 Ų13278.4 Ų78.462%0.61738%0.384SS*.Hα-helixtrans-63.5-36.5173.2-66.8173.119.400112Q379 A380 E386Q379-Q383 WeakPolarHBondContact O-CG 3.39Å; Q379-Q383 PolarHBondContact O-N 3.48Å; A380-Q383 WeakPolarHBondContact O-CB 3.42Å; A380-Q383 PolarHBondContact O-N 2.73Å; Q383-E386 PolarHBondContact O-N 3.07Å
384E85.6Confident89.4Confident113 Ų11374.2 Ų74.253%0.52836%0.364SS..Hα-helixtrans-64-41.4171.7-65.2-168.6163.800112.2A380 I381 L382 E386 L387A380-E384 PolarHBondContact O-N 2.81Å; A380-E384 VanDerWaalsContact O-N 3.14Å; I381-E384 WeakPolarHBondContact O-CB 3.35Å; I381-E384 PolarHBondContact O-N 3.33Å; L382-E384 VanDerWaalsContact C-N 3.32Å; L382-E384 PolarHBondContact O-N 3.31Å; E384-E386 VanDerWaalsContact C-N 3.28Å; E384-E386 PolarHBondContact O-N 2.9Å; E384-L387 WeakPolarHBondContact O-CB 3.44Å; E384-L387 PolarHBondContact O-N 3.32Å
385R89.6Confident89.8Confident22 Ų2273 Ų738%0.08337%0.369CS..Hα-helixtrans-62.4-33.6177.9-71.6171.262.8-163.7-7.9112.1I381 L382 L387 L388 Q423 D427 E460I381-R385 WeakPolarHBondContact O-CG 3.17Å; I381-R385 PolarHBondContact O-N 3.23Å; L382-R385 WeakPolarHBondContact O-CB 3.29Å; L382-R385 PolarHBondContact O-N 3.2Å; R385-L387 PolarHBondContact O-N 3.35Å; R385-L388 WeakPolarHBondContact O-CB 3.34Å; R385-L388 PolarHBondContact O-N 3.16Å; R385-Q423 VanDerWaalsContact CZ-OE1 3.25Å; R385-Q423 VanDerWaalsContact NH1-OE1 3.16Å; R385-D427 IonicContact NH2-OD2 2.79Å; R385-E460 PolarHBondContact NH1-O 3.47Å
386E89Confident90.1Very high129 Ų12975 Ų7560%0.60338%0.377SS*.Hα-helixtrans-64.3-25.1176.1-73.5-174.4173.400114.1L382 Q383 E384 L388L382-E386 PolarHBondContact O-N 3.45Å; Q383-E386 PolarHBondContact O-N 3.07Å; E384-E386 VanDerWaalsContact C-N 3.28Å; E384-E386 PolarHBondContact O-N 2.9Å; E386-L388 VanDerWaalsContact C-N 3.29Å; E386-L388 PolarHBondContact O-N 3.41Å
387L87Confident90.7Very high150 Ų15068.4 Ų68.479%0.78535%0.346SS*.THydrogen-bonded Turntrans-76.5-14.6178.4-58.6175.8000113.2E384 R385E384-L387 WeakPolarHBondContact O-CB 3.44Å; E384-L387 PolarHBondContact O-N 3.32Å; R385-L387 PolarHBondContact O-N 3.35Å
388L86.6Confident91.2Very high46 Ų4664 Ų6424%0.24132%0.322CS..SBendtrans-70.9135.6-176.1-67.1173.8000111.7R385 E386 V390 K391 Q420R385-L388 WeakPolarHBondContact O-CB 3.34Å; R385-L388 PolarHBondContact O-N 3.16Å; E386-L388 VanDerWaalsContact C-N 3.29Å; E386-L388 PolarHBondContact O-N 3.41Å; L388-V390 HydrophobicContact CB-CG1 4.45Å; L388-V390 PolarHBondContact O-N 3.38Å; L388-V390 VanDerWaalsContact O-N 3.08Å; L388-K391 WeakPolarHBondContact O-CB 3.48Å; L388-K391 PolarHBondContact O-N 2.92Å; L388-Q420 HydrophobicContact CD1-CG 3.56Å
389P87.9Confident91.6Very high18 Ų1869 Ų6912%0.11735%0.346CS..G310 helixtrans-50.3-38.7-178.3-32.637000115.5K391 K392 C415P389-K391 VanDerWaalsContact C-N 3.27Å; P389-K391 PolarHBondContact O-N 3.46Å; P389-K392 PolarHBondContact O-N 2.93Å; P389-C415 HydrophobicContact CB-CB 4Å; P389-C415 HydrophobicContact CG-CB 4.32Å
390V91.9Very high92.1Very high0 Ų066.5 Ų66.50%034%0.336CS..G310 helixtrans-65-23.9-178.871.50000114.1L388 K392 F393 E394 I397 C415 Q420 V421 F424 V563L388-V390 HydrophobicContact CB-CG1 4.45Å; L388-V390 PolarHBondContact O-N 3.38Å; L388-V390 VanDerWaalsContact O-N 3.08Å; V390-K392 PolarHBondContact O-N 2.83Å; V390-F393 PolarHBondContact O-N 2.63Å; V390-E394 PolarHBondContact O-N 3.46Å; V390-I397 HydrophobicContact CG2-CD1 3.72Å; V390-C415 VanDerWaalsContact CB-O 3.3Å; V390-C415 WeakPolarHBondContact CB-O 3.38Å; V390-C415 WeakPolarHBondContact CG1-O 3.39Å; V390-C415 PolarHBondContact N-O 3.26Å; V390-Q420 HydrophobicContact CG1-CB 3.67Å; V390-Q420 HydrophobicContact CG1-CG 3.75Å; V390-V421 HydrophobicContact CG2-CG2 4.25Å; V390-F424 HydrophobicContact CG1-CE2 4.17Å; V390-F424 HydrophobicContact CG1-CZ 4.19Å; V390-F424 HydrophobicContact CG2-CE2 4.2Å; V390-V563 HydrophobicContact CB-CG1 3.94Å; V390-V563 HydrophobicContact CG2-CG1 4.1Å; V390-V563 HydrophobicContact CG2-CG2 4.15Å
391K93.1Very high92.5Very high64 Ų6464.4 Ų64.428%0.27832%0.318SS..G310 helixtrans-59.6-32.1179.1-176.462.8165167.50112.4L388 P389 F393 E394 F424L388-K391 WeakPolarHBondContact O-CB 3.48Å; L388-K391 PolarHBondContact O-N 2.92Å; P389-K391 VanDerWaalsContact C-N 3.27Å; P389-K391 PolarHBondContact O-N 3.46Å; K391-F393 PolarHBondContact O-N 2.85Å; K391-E394 HydrophobicContact CD-CB 4.48Å; K391-E394 WeakPolarHBondContact CE-OE2 3.48Å; K391-E394 IonicContact NZ-OE1 3.27Å; K391-E394 PolarHBondContact NZ-OE1 3.3Å; K391-E394 IonicContact NZ-OE2 3.62Å; K391-E394 PolarHBondContact NZ-OE2 3.18Å; K391-E394 VanDerWaalsContact O-CB 3.31Å; K391-E394 WeakPolarHBondContact O-CB 3.47Å; K391-E394 PolarHBondContact O-N 3.12Å; K391-F424 HydrophobicContact CB-CZ 4.45Å; K391-F424 HydrophobicContact CD-CE1 4.02Å; K391-F424 HydrophobicContact CD-CZ 3.99Å
392K92.8Very high92.8Very high179 Ų17966.9 Ų66.978%0.77834%0.337SS*.G310 helixtrans-65.3-17.5177.5-62.1-178.1-178.9-178.70114.1P389 V390P389-K392 PolarHBondContact O-N 2.93Å; V390-K392 PolarHBondContact O-N 2.83Å
393F95.3Very high93.1Very high29 Ų2970.4 Ų70.413%0.12735%0.353CS..G310 helixtrans-110.96.1-177.7-59.6-95.8000111.6V390 K391 S395 E396 I397 E562 V563 Y564V390-F393 PolarHBondContact O-N 2.63Å; K391-F393 PolarHBondContact O-N 2.85Å; F393-S395 PolarHBondContact O-N 3.06Å; F393-E396 WeakPolarHBondContact CD1-OE2 3.45Å; F393-E396 PolarHBondContact O-N 3.08Å; F393-I397 HydrophobicContact CB-CD1 3.87Å; F393-I397 HydrophobicContact CB-CG1 4.26Å; F393-I397 WeakPolarHBondContact O-CB 3.36Å; F393-I397 WeakPolarHBondContact O-CD1 3.33Å; F393-I397 WeakPolarHBondContact O-CG1 3.43Å; F393-I397 PolarHBondContact O-N 3.15Å; F393-E562 WeakPolarHBondContact CE1-O 3.28Å; F393-V563 HydrophobicContact CB-CG2 4.49Å; F393-V563 HydrophobicContact CD2-CB 4.42Å; F393-V563 HydrophobicContact CD2-CG1 3.89Å; F393-V563 HydrophobicContact CE2-CG1 4.2Å; F393-V563 HydrophobicContact CG-CG2 4.43Å; F393-Y564 HydrophobicContact CE1-CD2 4.29Å; F393-Y564 WeakPolarHBondContact CE2-O 3.43Å; F393-Y564 HydrophobicContact CZ-CD2 4.23Å; F393-Y564 VanDerWaalsContact CZ-N 3.3Å; F393-Y564 WeakPolarHBondContact CZ-O 3.46Å
394E96.3Very high93.5Very high46 Ų4666.7 Ų66.722%0.21534%0.337CS..Hα-helixtrans-53.1-50.5-176.2177.1179.1-123.300112.3V390 K391 I397 L398 F424V390-E394 PolarHBondContact O-N 3.46Å; K391-E394 HydrophobicContact CD-CB 4.48Å; K391-E394 WeakPolarHBondContact CE-OE2 3.48Å; K391-E394 IonicContact NZ-OE1 3.27Å; K391-E394 PolarHBondContact NZ-OE1 3.3Å; K391-E394 IonicContact NZ-OE2 3.62Å; K391-E394 PolarHBondContact NZ-OE2 3.18Å; K391-E394 VanDerWaalsContact O-CB 3.31Å; K391-E394 WeakPolarHBondContact O-CB 3.47Å; K391-E394 PolarHBondContact O-N 3.12Å; E394-I397 PolarHBondContact O-N 2.92Å; E394-L398 HydrophobicContact CG-CD1 4.03Å; E394-L398 WeakPolarHBondContact O-CB 3.25Å; E394-L398 VanDerWaalsContact O-CG 3.3Å; E394-L398 WeakPolarHBondContact O-CG 3.47Å; E394-L398 PolarHBondContact O-N 3.13Å; E394-F424 HydrophobicContact CB-CD2 4.09Å; E394-F424 HydrophobicContact CB-CE2 3.94Å; E394-F424 HydrophobicContact CB-CZ 4.25Å; E394-F424 HydrophobicContact CG-CB 4.27Å; E394-F424 HydrophobicContact CG-CD1 4.06Å; E394-F424 HydrophobicContact CG-CD2 3.89Å; E394-F424 HydrophobicContact CG-CE1 4.33Å; E394-F424 HydrophobicContact CG-CE2 4.15Å; E394-F424 HydrophobicContact CG-CG 3.84Å; E394-F424 HydrophobicContact CG-CZ 4.36Å; E394-F424 WeakPolarHBondContact OE1-CD1 3.41Å; E394-F424 VanDerWaalsContact OE1-CE1 3.3Å; E394-F424 WeakPolarHBondContact OE1-CE1 3.41Å
395S96.4Very high94Very high93 Ų9362.9 Ų62.965%0.6532%0.322SS*.Hα-helixtrans-64.4-41.1178.8-48.80000112.9F393 L398 E399F393-S395 PolarHBondContact O-N 3.06Å; S395-L398 PolarHBondContact O-N 3.39Å; S395-E399 VanDerWaalsContact O-CB 3.27Å; S395-E399 WeakPolarHBondContact O-CB 3.47Å; S395-E399 PolarHBondContact O-N 3.29Å
396E97.1Very high94.4Very high94 Ų9462.1 Ų62.144%0.43932%0.32SS..Hα-helixtrans-64.6-40.9177.1-173.7-174.8156.300111.4F393 A400 I561F393-E396 WeakPolarHBondContact CD1-OE2 3.45Å; F393-E396 PolarHBondContact O-N 3.08Å; E396-A400 WeakPolarHBondContact O-CB 3.44Å; E396-A400 PolarHBondContact O-N 2.86Å; E396-I561 HydrophobicContact CG-CD1 4.14Å; E396-I561 HydrophobicContact CG-CG1 4.45Å; E396-I561 WeakPolarHBondContact O-CD1 3.46Å
397I97.4Very high94.8Very high0 Ų056 Ų560%029%0.292CS..Hα-helixtrans-64.3-49.3176.6-71.1165.9000110.9V390 F393 E394 I401 I409 V421 I561 V563V390-I397 HydrophobicContact CG2-CD1 3.72Å; F393-I397 HydrophobicContact CB-CD1 3.87Å; F393-I397 HydrophobicContact CB-CG1 4.26Å; F393-I397 WeakPolarHBondContact O-CB 3.36Å; F393-I397 WeakPolarHBondContact O-CD1 3.33Å; F393-I397 WeakPolarHBondContact O-CG1 3.43Å; F393-I397 PolarHBondContact O-N 3.15Å; E394-I397 PolarHBondContact O-N 2.92Å; I397-I401 HydrophobicContact CG2-CD1 3.68Å; I397-I401 WeakPolarHBondContact O-CB 3.33Å; I397-I401 WeakPolarHBondContact O-CD1 3.49Å; I397-I401 WeakPolarHBondContact O-CG1 3.4Å; I397-I401 PolarHBondContact O-N 3.47Å; I397-I409 HydrophobicContact CD1-CD1 4.42Å; I397-I409 HydrophobicContact CD1-CG2 4.45Å; I397-I409 HydrophobicContact CG1-CD1 4.23Å; I397-I409 HydrophobicContact CG2-CD1 3.72Å; I397-V421 HydrophobicContact CD1-CG2 4.38Å; I397-V421 HydrophobicContact CG2-CG1 4.28Å; I397-I561 VanDerWaalsContact CA-CD1 3.49Å; I397-I561 HydrophobicContact CB-CD1 4.23Å; I397-I561 HydrophobicContact CG1-CD1 3.76Å; I397-I561 HydrophobicContact CG1-CG2 4.08Å; I397-V563 HydrophobicContact CD1-CG2 4.27Å
398L97.8Very high95.3Very high35 Ų3548.9 Ų48.918%0.18326%0.255CS..Hα-helixtrans-64-43.5178.6-69.7171.9000111.6E394 S395 I401 S402 F424 I425 D428E394-L398 HydrophobicContact CG-CD1 4.03Å; E394-L398 WeakPolarHBondContact O-CB 3.25Å; E394-L398 VanDerWaalsContact O-CG 3.3Å; E394-L398 WeakPolarHBondContact O-CG 3.47Å; E394-L398 PolarHBondContact O-N 3.13Å; S395-L398 PolarHBondContact O-N 3.39Å; L398-I401 PolarHBondContact O-N 3.02Å; L398-S402 WeakPolarHBondContact O-CB 3.28Å; L398-S402 PolarHBondContact O-N 2.92Å; L398-F424 HydrophobicContact CD2-CB 4.26Å; L398-I425 HydrophobicContact CD2-CG1 4.17Å; L398-D428 HydrophobicContact CD1-CB 4.12Å; L398-D428 HydrophobicContact CD2-CB 4.15Å
399E97.4Very high95.7Very high110 Ų11046.7 Ų46.751%0.51424%0.243SC..Hα-helixtrans-60.1-51.8176.7-175.9172.9-175.400111.3S395 I401 S402 Q403S395-E399 VanDerWaalsContact O-CB 3.27Å; S395-E399 WeakPolarHBondContact O-CB 3.47Å; S395-E399 PolarHBondContact O-N 3.29Å; E399-I401 PolarHBondContact O-N 3.43Å; E399-S402 PolarHBondContact O-N 3.03Å; E399-S402 VanDerWaalsContact O-N 3.16Å; E399-S402 PolarHBondContact O-OG 3.18Å; E399-Q403 HydrophobicContact CG-CG 4.47Å; E399-Q403 WeakPolarHBondContact O-CG 3.38Å; E399-Q403 PolarHBondContact O-N 3.4Å; E399-Q403 PolarHBondContact OE1-NE2 2.91Å
400A97.4Very high95.9Very high14 Ų1448 Ų4812%0.11625%0.246CC..Hα-helixtrans-61.9-40.8-179.500000112.7E396 S402 Q403 N404 V407 I561E396-A400 WeakPolarHBondContact O-CB 3.44Å; E396-A400 PolarHBondContact O-N 2.86Å; A400-S402 VanDerWaalsContact C-N 3.33Å; A400-Q403 PolarHBondContact O-N 3.39Å; A400-N404 WeakPolarHBondContact O-CB 3.5Å; A400-N404 PolarHBondContact O-N 2.81Å; A400-N404 PolarHBondContact O-ND2 2.84Å; A400-V407 HydrophobicContact CB-CG1 4.25Å; A400-V407 HydrophobicContact CB-CG2 4.16Å; A400-V407 WeakPolarHBondContact O-CG2 3.49Å; A400-I561 HydrophobicContact CB-CD1 3.68Å; A400-I561 HydrophobicContact CB-CG1 4.43Å
401I97.3Very high95.6Very high6 Ų648.5 Ų48.53%0.03125%0.25CS..Hα-helixtrans-65.4-37.5176.9-69.1170.4000110.9I397 L398 E399 V407 I425 R538 V540I397-I401 HydrophobicContact CG2-CD1 3.68Å; I397-I401 WeakPolarHBondContact O-CB 3.33Å; I397-I401 WeakPolarHBondContact O-CD1 3.49Å; I397-I401 WeakPolarHBondContact O-CG1 3.4Å; I397-I401 PolarHBondContact O-N 3.47Å; L398-I401 PolarHBondContact O-N 3.02Å; E399-I401 PolarHBondContact O-N 3.43Å; I401-V407 HydrophobicContact CG1-CB 4.3Å; I401-V407 HydrophobicContact CG1-CG2 3.99Å; I401-I425 HydrophobicContact CD1-CD1 3.84Å; I401-I425 HydrophobicContact CD1-CG1 4.16Å; I401-R538 HydrophobicContact CG2-CB 4.25Å; I401-R538 HydrophobicContact CG2-CG 4.44Å; I401-R538 WeakPolarHBondContact O-CD 3.26Å; I401-R538 PolarHBondContact O-NH1 2.84Å; I401-V540 HydrophobicContact CD1-CG2 3.72Å; I401-V540 HydrophobicContact CG1-CG2 4.03Å
402S94.9Very high94.9Very high72 Ų7247.6 Ų47.650%0.50326%0.255SS..Hα-helixtrans-67.4-35.6176.279.40000112.9L398 E399 A400 R538L398-S402 WeakPolarHBondContact O-CB 3.28Å; L398-S402 PolarHBondContact O-N 2.92Å; E399-S402 PolarHBondContact O-N 3.03Å; E399-S402 VanDerWaalsContact O-N 3.16Å; E399-S402 PolarHBondContact O-OG 3.18Å; A400-S402 VanDerWaalsContact C-N 3.33Å; S402-R538 VanDerWaalsContact C-NH1 3.3Å; S402-R538 PolarHBondContact O-NH1 2.96Å; S402-R538 PolarHBondContact O-NH2 3.3Å
403Q95.7Very high94.2Very high127 Ų12739.8 Ų39.859%0.59322%0.222SC*.Hα-helixtrans-87-23.8-175.5-69.6176.49.700113.8E399 A400E399-Q403 HydrophobicContact CG-CG 4.47Å; E399-Q403 WeakPolarHBondContact O-CG 3.38Å; E399-Q403 PolarHBondContact O-N 3.4Å; E399-Q403 PolarHBondContact OE1-NE2 2.91Å; A400-Q403 PolarHBondContact O-N 3.39Å
404N96.6Very high93.2Very high54 Ų5439.8 Ų39.829%0.28923%0.231SC..  trans-125.1146.6-171.8-57.8-92.5000112.3A400 V406 V407 R538 P559A400-N404 WeakPolarHBondContact O-CB 3.5Å; A400-N404 PolarHBondContact O-N 2.81Å; A400-N404 PolarHBondContact O-ND2 2.84Å; N404-V406 VanDerWaalsContact C-N 3.33Å; N404-V407 HydrophobicContact CB-CG2 4.09Å; N404-R538 WeakPolarHBondContact O-CD 3.46Å; N404-R538 PolarHBondContact O-NH1 3.2Å; N404-P559 HydrophobicContact CB-CG 4.06Å
405S95.4Very high92.5Very high32 Ų3237.7 Ų37.722%0.22422%0.221CC..SBendtrans-75.2-23.5174.8-45.60000112.8P535 I539S405-P535 WeakPolarHBondContact CB-O 3.43Å; S405-P535 PolarHBondContact OG-O 3.16Å; S405-I539 PolarHBondContact O-N 3Å
406V97.9Very high92.1Very high7 Ų733.7 Ų33.74%0.04219%0.194CC..EExtended strand (participates in β ladder)trans-134.1135.9176.4-169.50000109.4N404 V531 I539 L541 F555 C558 P559N404-V406 VanDerWaalsContact C-N 3.33Å; V406-V531 HydrophobicContact CG2-CG1 3.99Å; V406-V531 HydrophobicContact CG2-CG2 3.99Å; V406-I539 CarbonylContact C-O 3.57Å; V406-I539 VanDerWaalsContact CA-O 3.3Å; V406-I539 WeakPolarHBondContact CA-O 3.47Å; V406-I539 HydrophobicContact CG1-CB 4.34Å; V406-I539 HydrophobicContact CG2-CB 4.25Å; V406-L541 HydrophobicContact CG1-CD1 4.05Å; V406-L541 HydrophobicContact CG1-CG 4.27Å; V406-F555 HydrophobicContact CB-CB 4.5Å; V406-F555 HydrophobicContact CG1-CB 3.99Å; V406-F555 HydrophobicContact CG1-CD1 4.12Å; V406-F555 HydrophobicContact CG1-CG 4.03Å; V406-F555 HydrophobicContact CG2-CD1 3.99Å; V406-C558 HydrophobicContact CB-CB 3.91Å; V406-C558 HydrophobicContact CG1-CB 4.1Å; V406-P559 WeakPolarHBondContact O-CD 3.38Å
407V97.8Very high91.8Very high1 Ų129.6 Ų29.61%0.00618%0.175CC..EExtended strand (participates in β ladder)trans-135.5137.1172.6-177.50000109.3A400 I401 N404 I409 I539 V540 L541 P559 I561A400-V407 HydrophobicContact CB-CG1 4.25Å; A400-V407 HydrophobicContact CB-CG2 4.16Å; A400-V407 WeakPolarHBondContact O-CG2 3.49Å; I401-V407 HydrophobicContact CG1-CB 4.3Å; I401-V407 HydrophobicContact CG1-CG2 3.99Å; N404-V407 HydrophobicContact CB-CG2 4.09Å; V407-I409 HydrophobicContact CG1-CG1 4.26Å; V407-I539 PolarHBondContact N-O 3.33Å; V407-V540 WeakPolarHBondContact O-CA 3.18Å; V407-L541 PolarHBondContact O-N 3.01Å; V407-P559 HydrophobicContact CG2-CG 4.15Å; V407-I561 HydrophobicContact CG1-CD1 4.22Å; V407-I561 HydrophobicContact CG1-CG1 4.37Å
408I97.4Very high91.6Very high0 Ų030.7 Ų30.70%018%0.182CC..EExtended strand (participates in β ladder)trans-97.4124.6168.9-63.9168.1000108.7L541 T548 F551 C552 P559 I560 I561I408-L541 CarbonylContact C-O 3.54Å; I408-L541 VanDerWaalsContact CA-O 3.31Å; I408-L541 WeakPolarHBondContact CA-O 3.33Å; I408-L541 HydrophobicContact CG1-CB 4.08Å; I408-L541 HydrophobicContact CG1-CD1 4.15Å; I408-T548 HydrophobicContact CG2-CG2 4.16Å; I408-F551 HydrophobicContact CD1-CB 3.89Å; I408-C552 HydrophobicContact CD1-CB 3.92Å; I408-P559 PolarHBondContact N-O 2.73Å; I408-I560 HydrophobicContact CB-CG1 4.11Å; I408-I560 HydrophobicContact CB-CG2 4.49Å; I408-I560 HydrophobicContact CD1-CG1 4.17Å; I408-I560 HydrophobicContact CG2-CG1 4.42Å; I408-I560 HydrophobicContact CG2-CG2 4.22Å; I408-I560 CarbonylContact O-C 3.59Å; I408-I560 WeakPolarHBondContact O-CA 3.44Å; I408-I561 PolarHBondContact O-N 2.69Å
409I95.7Very high91.4Very high0 Ų030 Ų300%018%0.179CC..EExtended strand (participates in β ladder)trans-108.1107.5171.8-52.9178.1000108.7I397 V407 K417 V421 V540 L541 M542 S543 V563I397-I409 HydrophobicContact CD1-CD1 4.42Å; I397-I409 HydrophobicContact CD1-CG2 4.45Å; I397-I409 HydrophobicContact CG1-CD1 4.23Å; I397-I409 HydrophobicContact CG2-CD1 3.72Å; V407-I409 HydrophobicContact CG1-CG1 4.26Å; I409-K417 HydrophobicContact CB-CD 4.44Å; I409-K417 HydrophobicContact CG2-CD 3.82Å; I409-K417 HydrophobicContact CG2-CG 4.1Å; I409-K417 WeakPolarHBondContact O-CD 3.46Å; I409-V421 HydrophobicContact CD1-CB 4.5Å; I409-V421 HydrophobicContact CD1-CG1 3.76Å; I409-V421 HydrophobicContact CD1-CG2 3.91Å; I409-V540 HydrophobicContact CD1-CG1 3.52Å; I409-V540 HydrophobicContact CG1-CG1 3.87Å; I409-L541 PolarHBondContact N-O 3.28Å; I409-M542 HydrophobicContact CB-CG 4.34Å; I409-M542 WeakPolarHBondContact O-CA 3.22Å; I409-S543 PolarHBondContact O-N 2.88Å; I409-S543 VanDerWaalsContact O-N 3.08Å; I409-V563 HydrophobicContact CG2-CG2 3.69Å
410R91.6Very high91.3Very high46 Ų4624.8 Ų24.817%0.17416%0.155CC..EExtended strand (participates in β ladder)trans-100.5135.3179.9-178.5178.2162.6-131.1-28.3109.6T545 I546 T548 I560 I561 E562 V563R410-T545 WeakPolarHBondContact CD-O 3.46Å; R410-T545 WeakPolarHBondContact CG-O 3.36Å; R410-T545 PolarHBondContact NE-O 3.47Å; R410-I546 VanDerWaalsContact CZ-O 3.31Å; R410-I546 PolarHBondContact NE-O 2.88Å; R410-I546 PolarHBondContact NH1-O 3.27Å; R410-T548 HydrophobicContact CB-CG2 4.45Å; R410-T548 HydrophobicContact CG-CG2 4.26Å; R410-I560 HydrophobicContact CB-CG2 4.15Å; R410-I561 PolarHBondContact N-O 3.16Å; R410-E562 HydrophobicContact CB-CG 4.47Å; R410-E562 IonicContact CZ-OE1 2.89Å; R410-E562 IonicContact CZ-OE2 3.29Å; R410-E562 IonicContact NE-OE2 2.77Å; R410-E562 IonicContact NH1-OE1 2.74Å; R410-E562 PolarHBondContact NH1-OE1 2.86Å; R410-E562 IonicContact NH1-OE2 2.6Å; R410-E562 PolarHBondContact NH1-OE2 3.27Å; R410-E562 IonicContact NH2-OE2 2.61Å; R410-E562 PolarHBondContact NH2-OE2 2.86Å; R410-V563 PolarHBondContact O-N 3.13Å
411G86.7Confident91.4Very high9 Ų924.1 Ų24.19%0.09315%0.149CC..  trans177.5153173.400000112.7K417 S543 A544G411-K417 PolarHBondContact O-NZ 2.97Å; G411-S543 PolarHBondContact N-O 2.91Å; G411-S543 VanDerWaalsContact N-O 3.07Å; G411-A544 WeakPolarHBondContact O-CA 3.33Å
412A78.4Confident91.4Very high46 Ų4623.9 Ų23.938%0.3815%0.148SC..  trans-56.2160.2-173.200000114.2G414 C415 T567A412-G414 PolarHBondContact O-N 2.81Å; A412-C415 PolarHBondContact O-N 3.16Å; A412-C415 PolarHBondContact O-SG 2.91Å; A412-T567 HydrophobicContact CB-CG2 4.3Å
413T76.8Confident91.5Very high15 Ų1520.4 Ų20.49%0.09212%0.124CC..THydrogen-bonded Turntrans-60.8134.4173.760.30000110.5A544 T567 Q760 G763T413-A544 HydrophobicContact CG2-CB 3.87Å; T413-T567 VanDerWaalsContact O-CG2 3.24Å; T413-T567 WeakPolarHBondContact O-CG2 3.23Å; T413-Q760 HydrophobicContact CG2-CB 4.44Å; T413-Q760 HydrophobicContact CG2-CG 4.18Å; T413-G763 WeakPolarHBondContact OG1-CA 3.49Å
414G74.6Confident91.7Very high29 Ų2914.6 Ų14.630%0.29910%0.097SC..THydrogen-bonded Turntrans86.6-2.3-179.200000115.5A412 G416A412-G414 PolarHBondContact O-N 2.81Å; G414-G416 PolarHBondContact O-N 2.97Å
415C82.7Confident91.7Very high1 Ų112.1 Ų12.11%0.0078%0.083CC..SBendtrans-70.6-11.3175.670.30000114.7P389 V390 A412 V563P389-C415 HydrophobicContact CB-CB 4Å; P389-C415 HydrophobicContact CG-CB 4.32Å; V390-C415 VanDerWaalsContact CB-O 3.3Å; V390-C415 WeakPolarHBondContact CB-O 3.38Å; V390-C415 WeakPolarHBondContact CG1-O 3.39Å; V390-C415 PolarHBondContact N-O 3.26Å; A412-C415 PolarHBondContact O-N 3.16Å; A412-C415 PolarHBondContact O-SG 2.91Å; C415-V563 HydrophobicContact CB-CG1 4.29Å
416G87.5Confident91.9Very high9 Ų910.6 Ų10.69%0.0937%0.073CC..SBendtrans110.2-7173.100000116.5G414 T418 T419 Q420G414-G416 PolarHBondContact O-N 2.97Å; G416-T418 PolarHBondContact O-N 3.33Å; G416-T419 PolarHBondContact O-N 3.01Å; G416-T419 PolarHBondContact O-OG1 2.82Å; G416-Q420 WeakPolarHBondContact O-CB 3.43Å; G416-Q420 WeakPolarHBondContact O-CG 3.33Å; G416-Q420 PolarHBondContact O-N 3.18Å
417K91.7Very high91.8Very high9 Ų911.3 Ų11.34%0.0398%0.076CC..Hα-helixtrans-40.5-62.5-175.4-66.3-173.8-46.3-660114.2I409 G411 T419 Q420 V421 M542 S543I409-K417 HydrophobicContact CB-CD 4.44Å; I409-K417 HydrophobicContact CG2-CD 3.82Å; I409-K417 HydrophobicContact CG2-CG 4.1Å; I409-K417 WeakPolarHBondContact O-CD 3.46Å; G411-K417 PolarHBondContact O-NZ 2.97Å; K417-T419 VanDerWaalsContact C-N 3.31Å; K417-T419 PolarHBondContact O-N 2.7Å; K417-Q420 PolarHBondContact O-N 3.38Å; K417-V421 WeakPolarHBondContact O-CB 3.33Å; K417-V421 WeakPolarHBondContact O-CG2 3.05Å; K417-V421 PolarHBondContact O-N 3.38Å; K417-M542 HydrophobicContact CB-SD 3.88Å; K417-M542 HydrophobicContact CD-CB 4.45Å; K417-S543 VanDerWaalsContact CE-O 3.25Å; K417-S543 WeakPolarHBondContact CE-O 3.36Å; K417-S543 PolarHBondContact NZ-O 2.89Å
418T93.1Very high91.8Very high22 Ų2213.8 Ų13.814%0.1359%0.089CC..Hα-helixtrans-58.1-35.1-173.3-500000114.2G416 V453 D511G416-T418 PolarHBondContact O-N 3.33Å; T418-V453 HydrophobicContact CG2-CB 4.49Å; T418-V453 HydrophobicContact CG2-CG1 3.77Å; T418-V453 HydrophobicContact CG2-CG2 3.93Å; T418-D511 VanDerWaalsContact CB-OD2 3.27Å; T418-D511 WeakPolarHBondContact CB-OD2 3.35Å; T418-D511 WeakPolarHBondContact CG2-OD2 3.34Å; T418-D511 PolarHBondContact OG1-OD2 3.08Å
419T93.4Very high91.8Very high21 Ų2115 Ų1513%0.12910%0.095CC..Hα-helixtrans-92.1-36.6179.751.40000112.7G416 K417 Q423 V453 R456 V457G416-T419 PolarHBondContact O-N 3.01Å; G416-T419 PolarHBondContact O-OG1 2.82Å; K417-T419 VanDerWaalsContact C-N 3.31Å; K417-T419 PolarHBondContact O-N 2.7Å; T419-Q423 WeakPolarHBondContact O-CG 3.46Å; T419-Q423 PolarHBondContact O-NE2 2.99Å; T419-V453 HydrophobicContact CG2-CG1 4.33Å; T419-R456 HydrophobicContact CG2-CG 4.33Å; T419-V457 HydrophobicContact CG2-CG2 4.08Å
420Q95.8Very high91.8Very high1 Ų115.1 Ų15.11%0.00510%0.095CC..Hα-helixtrans-94.3-40.5-169.9-56.9-47.4-59.200114.5L388 V390 G416 K417 Q423 F424 E460L388-Q420 HydrophobicContact CD1-CG 3.56Å; V390-Q420 HydrophobicContact CG1-CB 3.67Å; V390-Q420 HydrophobicContact CG1-CG 3.75Å; G416-Q420 WeakPolarHBondContact O-CB 3.43Å; G416-Q420 WeakPolarHBondContact O-CG 3.33Å; G416-Q420 PolarHBondContact O-N 3.18Å; K417-Q420 PolarHBondContact O-N 3.38Å; Q420-Q423 CarbonylContact O-C 3.57Å; Q420-Q423 WeakPolarHBondContact O-CA 3.36Å; Q420-Q423 WeakPolarHBondContact O-CB 3.49Å; Q420-Q423 PolarHBondContact O-N 2.91Å; Q420-F424 HydrophobicContact CB-CD1 4.45Å; Q420-F424 HydrophobicContact CB-CD2 4.47Å; Q420-F424 HydrophobicContact CB-CE1 3.85Å; Q420-F424 HydrophobicContact CB-CE2 3.9Å; Q420-F424 HydrophobicContact CB-CZ 3.55Å; Q420-F424 HydrophobicContact CG-CZ 4.29Å; Q420-F424 WeakPolarHBondContact O-CD1 3.45Å; Q420-F424 VanDerWaalsContact O-CG 3.29Å; Q420-F424 WeakPolarHBondContact O-CG 3.36Å; Q420-F424 PolarHBondContact O-N 3.15Å; Q420-E460 PolarHBondContact NE2-OE2 3.3Å
421V97.8Very high91.9Very high0 Ų018 Ų180%011%0.111CC..Hα-helixtrans-57.6-43.8-176.91740000112.6V390 I397 I409 K417 Q423 F424 I425 I509 V540 M542V390-V421 HydrophobicContact CG2-CG2 4.25Å; I397-V421 HydrophobicContact CD1-CG2 4.38Å; I397-V421 HydrophobicContact CG2-CG1 4.28Å; I409-V421 HydrophobicContact CD1-CB 4.5Å; I409-V421 HydrophobicContact CD1-CG1 3.76Å; I409-V421 HydrophobicContact CD1-CG2 3.91Å; K417-V421 WeakPolarHBondContact O-CB 3.33Å; K417-V421 WeakPolarHBondContact O-CG2 3.05Å; K417-V421 PolarHBondContact O-N 3.38Å; V421-Q423 VanDerWaalsContact C-N 3.27Å; V421-Q423 PolarHBondContact O-N 2.93Å; V421-F424 PolarHBondContact O-N 3.22Å; V421-I425 HydrophobicContact CG1-CD1 4.02Å; V421-I425 WeakPolarHBondContact O-CD1 3.32Å; V421-I425 WeakPolarHBondContact O-CG1 3.36Å; V421-I425 PolarHBondContact O-N 2.77Å; V421-I509 HydrophobicContact CG1-CD1 4.34Å; V421-V540 HydrophobicContact CG1-CG1 4.47Å; V421-M542 HydrophobicContact CB-SD 4.17Å; V421-M542 HydrophobicContact CG1-SD 4.37Å; V421-M542 HydrophobicContact CG2-SD 4.28Å
422P98.2Very high92.3Very high0 Ų021.9 Ų21.90%013%0.129CC..Hα-helixtrans-62.3-35.4174.7-18.831.2000112.5L426 I440 V442 I486 F488 I509P422-L426 WeakPolarHBondContact O-CB 3.46Å; P422-L426 PolarHBondContact O-N 3.33Å; P422-L426 VanDerWaalsContact O-N 3.11Å; P422-I440 HydrophobicContact CB-CG2 4.35Å; P422-I440 WeakPolarHBondContact O-CD1 3.38Å; P422-V442 HydrophobicContact CB-CG2 4.06Å; P422-V442 HydrophobicContact CG-CG2 3.75Å; P422-I486 HydrophobicContact CB-CD1 3.92Å; P422-I486 HydrophobicContact CB-CG1 4.1Å; P422-I486 HydrophobicContact CB-CG2 3.97Å; P422-F488 HydrophobicContact CG-CZ 4.24Å; P422-I509 HydrophobicContact CB-CD1 4.28Å; P422-I509 HydrophobicContact CG-CD1 4.01Å
423Q97.9Very high93Very high0 Ų023.9 Ų23.90%013%0.134CC..Hα-helixtrans-72.9-41.5179.1-66.2-172.580.200112R385 T419 Q420 V421 I425 L426 D427 V457 E460 I486R385-Q423 VanDerWaalsContact CZ-OE1 3.25Å; R385-Q423 VanDerWaalsContact NH1-OE1 3.16Å; T419-Q423 WeakPolarHBondContact O-CG 3.46Å; T419-Q423 PolarHBondContact O-NE2 2.99Å; Q420-Q423 CarbonylContact O-C 3.57Å; Q420-Q423 WeakPolarHBondContact O-CA 3.36Å; Q420-Q423 WeakPolarHBondContact O-CB 3.49Å; Q420-Q423 PolarHBondContact O-N 2.91Å; V421-Q423 VanDerWaalsContact C-N 3.27Å; V421-Q423 PolarHBondContact O-N 2.93Å; Q423-I425 VanDerWaalsContact C-N 3.32Å; Q423-I425 PolarHBondContact O-N 3.47Å; Q423-L426 PolarHBondContact O-N 2.64Å; Q423-L426 VanDerWaalsContact O-N 3.16Å; Q423-D427 VanDerWaalsContact O-CB 3.27Å; Q423-D427 WeakPolarHBondContact O-CB 3.29Å; Q423-D427 PolarHBondContact O-N 2.78Å; Q423-V457 HydrophobicContact CG-CG1 3.84Å; Q423-E460 PolarHBondContact NE2-OE2 3.08Å; Q423-I486 HydrophobicContact CG-CD1 4.2Å
424F98.1Very high93.9Very high5 Ų528.3 Ų28.32%0.02215%0.149CC..Hα-helixtrans-56.3-46.8175.9-61.4-20.6000111.3V390 K391 E394 L398 Q420 V421 D428V390-F424 HydrophobicContact CG1-CE2 4.17Å; V390-F424 HydrophobicContact CG1-CZ 4.19Å; V390-F424 HydrophobicContact CG2-CE2 4.2Å; K391-F424 HydrophobicContact CB-CZ 4.45Å; K391-F424 HydrophobicContact CD-CE1 4.02Å; K391-F424 HydrophobicContact CD-CZ 3.99Å; E394-F424 HydrophobicContact CB-CD2 4.09Å; E394-F424 HydrophobicContact CB-CE2 3.94Å; E394-F424 HydrophobicContact CB-CZ 4.25Å; E394-F424 HydrophobicContact CG-CB 4.27Å; E394-F424 HydrophobicContact CG-CD1 4.06Å; E394-F424 HydrophobicContact CG-CD2 3.89Å; E394-F424 HydrophobicContact CG-CE1 4.33Å; E394-F424 HydrophobicContact CG-CE2 4.15Å; E394-F424 HydrophobicContact CG-CG 3.84Å; E394-F424 HydrophobicContact CG-CZ 4.36Å; E394-F424 WeakPolarHBondContact OE1-CD1 3.41Å; E394-F424 VanDerWaalsContact OE1-CE1 3.3Å; E394-F424 WeakPolarHBondContact OE1-CE1 3.41Å; L398-F424 HydrophobicContact CD2-CB 4.26Å; Q420-F424 HydrophobicContact CB-CD1 4.45Å; Q420-F424 HydrophobicContact CB-CD2 4.47Å; Q420-F424 HydrophobicContact CB-CE1 3.85Å; Q420-F424 HydrophobicContact CB-CE2 3.9Å; Q420-F424 HydrophobicContact CB-CZ 3.55Å; Q420-F424 HydrophobicContact CG-CZ 4.29Å; Q420-F424 WeakPolarHBondContact O-CD1 3.45Å; Q420-F424 VanDerWaalsContact O-CG 3.29Å; Q420-F424 WeakPolarHBondContact O-CG 3.36Å; Q420-F424 PolarHBondContact O-N 3.15Å; V421-F424 PolarHBondContact O-N 3.22Å; F424-D428 VanDerWaalsContact O-CB 3.31Å; F424-D428 WeakPolarHBondContact O-CB 3.41Å; F424-D428 PolarHBondContact O-N 3.41Å
425I98.4Very high94.8Very high2 Ų227 Ų271%0.0113%0.134CC..Hα-helixtrans-64.4-41.7177.5-60.4161.7000111L398 I401 V421 Q423 F429 I440 H507 I509L398-I425 HydrophobicContact CD2-CG1 4.17Å; I401-I425 HydrophobicContact CD1-CD1 3.84Å; I401-I425 HydrophobicContact CD1-CG1 4.16Å; V421-I425 HydrophobicContact CG1-CD1 4.02Å; V421-I425 WeakPolarHBondContact O-CD1 3.32Å; V421-I425 WeakPolarHBondContact O-CG1 3.36Å; V421-I425 PolarHBondContact O-N 2.77Å; Q423-I425 VanDerWaalsContact C-N 3.32Å; Q423-I425 PolarHBondContact O-N 3.47Å; I425-F429 HydrophobicContact CG2-CD2 4.49Å; I425-F429 HydrophobicContact CG2-CE2 4.42Å; I425-F429 VanDerWaalsContact O-CD2 3.24Å; I425-F429 WeakPolarHBondContact O-CD2 3.48Å; I425-F429 PolarHBondContact O-N 2.93Å; I425-I440 HydrophobicContact CB-CD1 3.77Å; I425-I440 HydrophobicContact CG2-CD1 3.72Å; I425-I440 HydrophobicContact CG2-CG1 4.32Å; I425-H507 WeakPolarHBondContact CG2-NE2 3.46Å; I425-I509 HydrophobicContact CD1-CD1 4Å
426L97.9Very high95.3Very high0 Ų027.1 Ų27.10%014%0.136CC..Hα-helixtrans-67-47.5179.1177.458.7000112.1P422 Q423 F429 I430 C438 I440 A484 I486P422-L426 WeakPolarHBondContact O-CB 3.46Å; P422-L426 PolarHBondContact O-N 3.33Å; P422-L426 VanDerWaalsContact O-N 3.11Å; Q423-L426 PolarHBondContact O-N 2.64Å; Q423-L426 VanDerWaalsContact O-N 3.16Å; L426-F429 PolarHBondContact O-N 2.79Å; L426-I430 HydrophobicContact CD1-CD1 3.91Å; L426-I430 HydrophobicContact CD1-CG1 4.32Å; L426-I430 HydrophobicContact CG-CD1 3.85Å; L426-I430 WeakPolarHBondContact O-CG1 3.35Å; L426-I430 PolarHBondContact O-N 2.77Å; L426-C438 HydrophobicContact CD1-CB 4.3Å; L426-I440 HydrophobicContact CB-CD1 4.07Å; L426-A484 HydrophobicContact CD1-CB 3.81Å; L426-I486 HydrophobicContact CB-CD1 4.2Å; L426-I486 HydrophobicContact CB-CG1 4.48Å; L426-I486 HydrophobicContact CD2-CD1 3.68Å; L426-I486 HydrophobicContact CD2-CG1 4.01Å
427D96.5Very high95.7Very high22 Ų2230.5 Ų30.512%0.11815%0.149CC..Hα-helixtrans-69.4-36.7-174.9-65.9-29.3000111.1R385 Q423 I430 Q431 R461R385-D427 IonicContact NH2-OD2 2.79Å; Q423-D427 VanDerWaalsContact O-CB 3.27Å; Q423-D427 WeakPolarHBondContact O-CB 3.29Å; Q423-D427 PolarHBondContact O-N 2.78Å; D427-I430 PolarHBondContact O-N 3.31Å; D427-Q431 WeakPolarHBondContact O-CB 3.33Å; D427-Q431 VanDerWaalsContact O-CG 3.25Å; D427-Q431 WeakPolarHBondContact O-CG 3.39Å; D427-Q431 PolarHBondContact O-N 3.09Å; D427-R461 VanDerWaalsContact CG-NH1 3.32Å; D427-R461 IonicContact OD1-CZ 2.96Å; D427-R461 IonicContact OD1-NH1 2.67Å; D427-R461 PolarHBondContact OD1-NH1 3Å; D427-R461 IonicContact OD1-NH2 2.73Å; D427-R461 PolarHBondContact OD1-NH2 3.39Å; D427-R461 IonicContact OD2-NH1 3.65Å; D427-R461 PolarHBondContact OD2-NH1 2.77Å
428D97.1Very high96Very high52 Ų5230 Ų3028%0.27815%0.147SC..Hα-helixtrans-59-48.5171.8177.781.5000112.1L398 F424 I430 Q431 N432L398-D428 HydrophobicContact CD1-CB 4.12Å; L398-D428 HydrophobicContact CD2-CB 4.15Å; F424-D428 VanDerWaalsContact O-CB 3.31Å; F424-D428 WeakPolarHBondContact O-CB 3.41Å; F424-D428 PolarHBondContact O-N 3.41Å; D428-I430 VanDerWaalsContact C-N 3.32Å; D428-I430 PolarHBondContact O-N 3.24Å; D428-Q431 PolarHBondContact O-N 3.34Å; D428-N432 VanDerWaalsContact CG-ND2 3.29Å; D428-N432 WeakPolarHBondContact O-CB 3.5Å; D428-N432 PolarHBondContact O-N 3.06Å; D428-N432 PolarHBondContact O-ND2 2.9Å; D428-N432 PolarHBondContact OD1-ND2 3.07Å; D428-N432 PolarHBondContact OD2-ND2 3.35Å
429F97.2Very high96.2Very high27 Ų2729 Ų2912%0.11814%0.141CC..Hα-helixtrans-65.1-34.2177.8-86.4-112.2000112.4I425 L426 R434 A435 E437 C438 H507I425-F429 HydrophobicContact CG2-CD2 4.49Å; I425-F429 HydrophobicContact CG2-CE2 4.42Å; I425-F429 VanDerWaalsContact O-CD2 3.24Å; I425-F429 WeakPolarHBondContact O-CD2 3.48Å; I425-F429 PolarHBondContact O-N 2.93Å; L426-F429 PolarHBondContact O-N 2.79Å; F429-R434 HydrophobicContact CD1-CB 4.04Å; F429-R434 CarbonylContact O-C 3.53Å; F429-R434 VanDerWaalsContact O-C 3.25Å; F429-R434 WeakPolarHBondContact O-CA 3.47Å; F429-R434 PolarHBondContact O-N 3.06Å; F429-A435 PolarHBondContact O-N 3.28Å; F429-A435 VanDerWaalsContact O-N 3.1Å; F429-E437 HydrophobicContact CD1-CB 4.03Å; F429-E437 HydrophobicContact CE1-CB 3.93Å; F429-C438 HydrophobicContact CB-CB 3.58Å; F429-C438 HydrophobicContact CD1-CB 3.75Å; F429-C438 HydrophobicContact CD2-CB 4.42Å; F429-C438 HydrophobicContact CG-CB 3.68Å; F429-H507 AromaticContact CE2-CE1 3.86Å; F429-H507 AromaticContact CZ-CE1 3.87Å
430I95.6Very high96.4Very high2 Ų228 Ų281%0.0114%0.135CC..Hα-helixtrans-68.9-46.5175-65.8164.1000110.8K365 L368 L426 D427 D428 N432 D433 A435 A484K365-I430 HydrophobicContact CB-CG2 4.03Å; K365-I430 WeakPolarHBondContact CD-O 3.2Å; K365-I430 HydrophobicContact CG-CG2 4.37Å; L368-I430 HydrophobicContact CB-CG2 4.41Å; L368-I430 HydrophobicContact CD2-CB 4.32Å; L368-I430 HydrophobicContact CD2-CD1 4.2Å; L368-I430 HydrophobicContact CD2-CG2 3.69Å; L426-I430 HydrophobicContact CD1-CD1 3.91Å; L426-I430 HydrophobicContact CD1-CG1 4.32Å; L426-I430 HydrophobicContact CG-CD1 3.85Å; L426-I430 WeakPolarHBondContact O-CG1 3.35Å; L426-I430 PolarHBondContact O-N 2.77Å; D427-I430 PolarHBondContact O-N 3.31Å; D428-I430 VanDerWaalsContact C-N 3.32Å; D428-I430 PolarHBondContact O-N 3.24Å; I430-N432 VanDerWaalsContact C-N 3.32Å; I430-N432 PolarHBondContact O-N 3.08Å; I430-D433 PolarHBondContact O-N 2.95Å; I430-A435 HydrophobicContact CB-CB 4.39Å; I430-A435 HydrophobicContact CG1-CB 3.74Å; I430-A484 HydrophobicContact CD1-CB 4.47Å; I430-A484 HydrophobicContact CG1-CB 4.33Å
431Q94.1Very high96.6Very high107 Ų10728 Ų2850%0.514%0.135SC..Hα-helixtrans-63.7-38-178.7-72174.125.400112K365 D427 D428 D433K365-Q431 WeakPolarHBondContact CE-O 3.24Å; K365-Q431 PolarHBondContact NZ-O 2.85Å; D427-Q431 WeakPolarHBondContact O-CB 3.33Å; D427-Q431 VanDerWaalsContact O-CG 3.25Å; D427-Q431 WeakPolarHBondContact O-CG 3.39Å; D427-Q431 PolarHBondContact O-N 3.09Å; D428-Q431 PolarHBondContact O-N 3.34Å; Q431-D433 VanDerWaalsContact C-N 3.26Å; Q431-D433 PolarHBondContact O-N 3.28Å
432N95.1Very high96.6Very high89 Ų8928 Ų2848%0.47614%0.135SC..THydrogen-bonded Turntrans-84.320178.8-66.6-51.3000114.6D428 I430 R434D428-N432 VanDerWaalsContact CG-ND2 3.29Å; D428-N432 WeakPolarHBondContact O-CB 3.5Å; D428-N432 PolarHBondContact O-N 3.06Å; D428-N432 PolarHBondContact O-ND2 2.9Å; D428-N432 PolarHBondContact OD1-ND2 3.07Å; D428-N432 PolarHBondContact OD2-ND2 3.35Å; I430-N432 VanDerWaalsContact C-N 3.32Å; I430-N432 PolarHBondContact O-N 3.08Å; N432-R434 VanDerWaalsContact C-N 3.26Å; N432-R434 WeakPolarHBondContact O-CG 3.39Å; N432-R434 PolarHBondContact O-N 2.9Å
433D94.3Very high96.6Very high89 Ų8928 Ų2848%0.47614%0.135SC..THydrogen-bonded Turntrans61.924.2176.2-60.6-64.6000115.2S361 K365 I430 Q431S361-D433 VanDerWaalsContact CB-O 3.27Å; S361-D433 WeakPolarHBondContact CB-O 3.47Å; K365-D433 WeakPolarHBondContact CD-OD1 3.48Å; K365-D433 WeakPolarHBondContact CE-OD1 3.44Å; K365-D433 IonicContact NZ-OD1 3.18Å; K365-D433 PolarHBondContact NZ-OD1 3.22Å; K365-D433 IonicContact NZ-OD2 3.7Å; K365-D433 PolarHBondContact NZ-OD2 2.76Å; I430-D433 PolarHBondContact O-N 2.95Å; Q431-D433 VanDerWaalsContact C-N 3.26Å; Q431-D433 PolarHBondContact O-N 3.28Å
434R95.1Very high96.4Very high108 Ų10828 Ų2841%0.40814%0.135SC..  trans-120.321.1-175.3-69.117665.7-148.7-1.4114F429 N432 A436 E437F429-R434 HydrophobicContact CD1-CB 4.04Å; F429-R434 CarbonylContact O-C 3.53Å; F429-R434 VanDerWaalsContact O-C 3.25Å; F429-R434 WeakPolarHBondContact O-CA 3.47Å; F429-R434 PolarHBondContact O-N 3.06Å; N432-R434 VanDerWaalsContact C-N 3.26Å; N432-R434 WeakPolarHBondContact O-CG 3.39Å; N432-R434 PolarHBondContact O-N 2.9Å; R434-A436 PolarHBondContact O-N 2.91Å; R434-E437 WeakPolarHBondContact CG-OE1 3.44Å; R434-E437 IonicContact CZ-OE1 2.65Å; R434-E437 IonicContact CZ-OE2 3.71Å; R434-E437 IonicContact NE-OE1 2.92Å; R434-E437 PolarHBondContact NE-OE1 2.75Å; R434-E437 IonicContact NE-OE2 3.87Å; R434-E437 PolarHBondContact NE-OE2 3.4Å; R434-E437 IonicContact NH2-OE1 2.94Å; R434-E437 IonicContact NH2-OE2 3.55Å; R434-E437 PolarHBondContact NH2-OE2 2.73Å; R434-E437 WeakPolarHBondContact O-CB 3.2Å; R434-E437 PolarHBondContact O-N 3.41Å
435A93.9Very high95.8Very high0 Ų029 Ų290%014%0.142CC..G310 helixtrans-52.8-36.1-173.400000113.7S361 L364 F429 I430 E437 C438 A484S361-A435 PolarHBondContact OG-N 3.25Å; S361-A435 VanDerWaalsContact OG-N 3.17Å; L364-A435 HydrophobicContact CB-CB 4.29Å; L364-A435 HydrophobicContact CD1-CB 4.16Å; F429-A435 PolarHBondContact O-N 3.28Å; F429-A435 VanDerWaalsContact O-N 3.1Å; I430-A435 HydrophobicContact CB-CB 4.39Å; I430-A435 HydrophobicContact CG1-CB 3.74Å; A435-E437 PolarHBondContact O-N 3.14Å; A435-C438 PolarHBondContact O-N 3.11Å; A435-C438 VanDerWaalsContact O-N 3.11Å; A435-A484 HydrophobicContact CB-CB 3.74Å; A435-A484 WeakPolarHBondContact O-CA 3.26Å; A435-A484 WeakPolarHBondContact O-CB 3.36Å; A435-A484 PolarHBondContact O-N 3.17Å
436A93.8Very high95.2Very high4 Ų431.1 Ų31.13%0.03315%0.15CC..G310 helixtrans-60.9-23.4177.900000114.2P335 P357 I360 S361 R434 H483P335-A436 VanDerWaalsContact CB-O 3.3Å; P335-A436 WeakPolarHBondContact CB-O 3.48Å; P357-A436 HydrophobicContact CB-CB 3.82Å; P357-A436 WeakPolarHBondContact O-CB 3.38Å; I360-A436 HydrophobicContact CB-CB 4.21Å; I360-A436 HydrophobicContact CG2-CB 4.02Å; S361-A436 WeakPolarHBondContact OG-CB 3.41Å; S361-A436 PolarHBondContact OG-N 3.22Å; R434-A436 PolarHBondContact O-N 2.91Å; A436-H483 PolarHBondContact O-ND1 2.8Å
437E95.1Very high94.5Very high80 Ų8034.9 Ų34.937%0.37416%0.164SC..G310 helixtrans-88.5-1.8178.7-57.2178.5-123.300113.7P335 F429 R434 A435 S506P335-E437 WeakPolarHBondContact CG-O 3.11Å; F429-E437 HydrophobicContact CD1-CB 4.03Å; F429-E437 HydrophobicContact CE1-CB 3.93Å; R434-E437 WeakPolarHBondContact CG-OE1 3.44Å; R434-E437 IonicContact CZ-OE1 2.65Å; R434-E437 IonicContact CZ-OE2 3.71Å; R434-E437 IonicContact NE-OE1 2.92Å; R434-E437 PolarHBondContact NE-OE1 2.75Å; R434-E437 IonicContact NE-OE2 3.87Å; R434-E437 PolarHBondContact NE-OE2 3.4Å; R434-E437 IonicContact NH2-OE1 2.94Å; R434-E437 IonicContact NH2-OE2 3.55Å; R434-E437 PolarHBondContact NH2-OE2 2.73Å; R434-E437 WeakPolarHBondContact O-CB 3.2Å; R434-E437 PolarHBondContact O-N 3.41Å; A435-E437 PolarHBondContact O-N 3.14Å; E437-S506 WeakPolarHBondContact O-CB 3.13Å; E437-S506 PolarHBondContact O-OG 3.36Å
438C97Very high93.9Very high0 Ų035.3 Ų35.30%017%0.166CC..  trans-108116.2-178-163.70000112.4L426 F429 A435 A484 S485L426-C438 HydrophobicContact CD1-CB 4.3Å; F429-C438 HydrophobicContact CB-CB 3.58Å; F429-C438 HydrophobicContact CD1-CB 3.75Å; F429-C438 HydrophobicContact CD2-CB 4.42Å; F429-C438 HydrophobicContact CG-CB 3.68Å; A435-C438 PolarHBondContact O-N 3.11Å; A435-C438 VanDerWaalsContact O-N 3.11Å; C438-A484 WeakPolarHBondContact O-CA 3.39Å; C438-A484 PolarHBondContact O-N 2.94Å; C438-S485 PolarHBondContact O-N 3.38Å
439N98Very high93.4Very high1 Ų132.9 Ų32.91%0.00515%0.153CC..EExtended strand (participates in β ladder)trans-145.6122.8168.3-80.9-43.6000108.8P341 W342 P482 H483 S485 G504 S506 H507P341-N439 HydrophobicContact CG-CB 4.42Å; W342-N439 HydrophobicContact CH2-CB 4.08Å; W342-N439 HydrophobicContact CZ2-CB 3.86Å; N439-P482 PolarHBondContact ND2-O 2.92Å; N439-P482 PolarHBondContact OD1-O 2.84Å; N439-H483 WeakPolarHBondContact OD1-CA 3.28Å; N439-S485 WeakPolarHBondContact CA-O 3.24Å; N439-S485 PolarHBondContact OD1-OG 2.91Å; N439-G504 VanDerWaalsContact CB-O 3.24Å; N439-G504 WeakPolarHBondContact CB-O 3.42Å; N439-G504 PolarHBondContact ND2-O 3.31Å; N439-S506 PolarHBondContact N-OG 3.24Å; N439-S506 PolarHBondContact O-N 2.83Å; N439-S506 PolarHBondContact O-OG 3.31Å; N439-H507 PolarHBondContact O-N 3.12Å
440I98.6Very high93.1Very high0 Ų031.6 Ų31.60%015%0.147CC..EExtended strand (participates in β ladder)trans-118.8124.6-167.5-52.5172.7000108.4W342 P422 I425 L426 V442 S485 I486 M487 H507 I509W342-I440 WeakPolarHBondContact CH2-O 3.49Å; P422-I440 HydrophobicContact CB-CG2 4.35Å; P422-I440 WeakPolarHBondContact O-CD1 3.38Å; I425-I440 HydrophobicContact CB-CD1 3.77Å; I425-I440 HydrophobicContact CG2-CD1 3.72Å; I425-I440 HydrophobicContact CG2-CG1 4.32Å; L426-I440 HydrophobicContact CB-CD1 4.07Å; I440-V442 HydrophobicContact CG2-CG2 3.99Å; I440-S485 PolarHBondContact N-O 3.38Å; I440-I486 HydrophobicContact CB-CG1 4.2Å; I440-I486 HydrophobicContact CD1-CG1 4.05Å; I440-I486 CarbonylContact O-C 3.57Å; I440-I486 WeakPolarHBondContact O-CA 3.43Å; I440-M487 PolarHBondContact O-N 2.97Å; I440-H507 WeakPolarHBondContact CA-O 3.5Å; I440-H507 HydrophobicContact CB-CB 4.42Å; I440-H507 HydrophobicContact CG1-CB 4.11Å; I440-H507 HydrophobicContact CG2-CB 4.17Å; I440-I509 HydrophobicContact CG2-CD1 3.67Å; I440-I509 HydrophobicContact CG2-CG1 3.93Å
441V98.3Very high92.8Very high0 Ų032 Ų320%015%0.149CC..EExtended strand (participates in β ladder)trans-103.9133.416669.90000109.4W342 M487 C489 L494 I505 H507 V508 I509W342-V441 HydrophobicContact CZ3-CB 4.27Å; V441-M487 WeakPolarHBondContact CA-O 3.41Å; V441-M487 HydrophobicContact CG2-CE 3.76Å; V441-C489 VanDerWaalsContact CG2-SG 3.59Å; V441-L494 HydrophobicContact CG1-CD1 4.33Å; V441-L494 HydrophobicContact CG1-CD2 4.24Å; V441-L494 HydrophobicContact CG2-CD1 4.38Å; V441-I505 HydrophobicContact CB-CD1 4.43Å; V441-I505 HydrophobicContact CB-CG2 4.32Å; V441-I505 HydrophobicContact CG1-CD1 4.3Å; V441-I505 HydrophobicContact CG1-CG2 3.84Å; V441-H507 PolarHBondContact N-O 2.9Å; V441-V508 HydrophobicContact CG1-CB 4.11Å; V441-V508 HydrophobicContact CG1-CG1 3.94Å; V441-V508 HydrophobicContact CG1-CG2 3.88Å; V441-I509 PolarHBondContact O-N 3.48Å
442V98.4Very high92.4Very high0 Ų027.9 Ų27.90%013%0.133CC..EExtended strand (participates in β ladder)trans-120.1115.1178.4-170.30000108.6P422 I440 I486 M487 F488 C489 I509P422-V442 HydrophobicContact CB-CG2 4.06Å; P422-V442 HydrophobicContact CG-CG2 3.75Å; I440-V442 HydrophobicContact CG2-CG2 3.99Å; V442-I486 HydrophobicContact CG2-CG2 3.98Å; V442-M487 PolarHBondContact N-O 3.22Å; V442-F488 HydrophobicContact CB-CD1 3.58Å; V442-F488 HydrophobicContact CB-CE1 3.63Å; V442-F488 HydrophobicContact CB-CG 4.3Å; V442-F488 HydrophobicContact CB-CZ 4.41Å; V442-F488 HydrophobicContact CG1-CD1 3.77Å; V442-F488 HydrophobicContact CG1-CE1 3.58Å; V442-F488 HydrophobicContact CG2-CD1 4.22Å; V442-F488 HydrophobicContact CG2-CE1 3.88Å; V442-F488 HydrophobicContact CG2-CZ 4.19Å; V442-F488 CarbonylContact O-C 3.55Å; V442-F488 WeakPolarHBondContact O-CA 3.41Å; V442-C489 PolarHBondContact O-N 2.85Å; V442-I509 CarbonylContact C-O 3.57Å; V442-I509 WeakPolarHBondContact CA-O 3.3Å; V442-I509 HydrophobicContact CB-CB 4.37Å; V442-I509 HydrophobicContact CG1-CB 4.11Å; V442-I509 HydrophobicContact CG1-CG2 4.08Å; V442-I509 HydrophobicContact CG2-CB 4.14Å; V442-I509 HydrophobicContact CG2-CD1 4.22Å; V442-I509 HydrophobicContact CG2-CG1 4.42Å
443T97.5Very high92.3Very high0 Ų023.9 Ų23.90%011%0.112CC..EExtended strand (participates in β ladder)trans-84.2148.3175.4700000111.3C489 L494 I509 V510 D511 L523T443-C489 CarbonylContact C-O 3.57Å; T443-C489 VanDerWaalsContact CA-O 3.29Å; T443-C489 WeakPolarHBondContact CA-O 3.4Å; T443-L494 HydrophobicContact CG2-CB 4.05Å; T443-L494 HydrophobicContact CG2-CD2 3.44Å; T443-L494 VanDerWaalsContact CG2-CD2 3.44Å; T443-L494 HydrophobicContact CG2-CG 4.39Å; T443-I509 PolarHBondContact N-O 3.48Å; T443-V510 WeakPolarHBondContact OG1-CA 3.45Å; T443-D511 WeakPolarHBondContact O-CB 3.46Å; T443-D511 PolarHBondContact O-N 3.07Å; T443-L523 HydrophobicContact CG2-CD2 3.96Å
444Q94.1Very high92.3Very high0 Ų019.7 Ų19.70%09%0.089CC..EExtended strand (participates in β ladder)trans-134.8146.6175.1-67.3-70.7-50.700109A450 F488 C489 T490 V491 D511 S719Q444-A450 HydrophobicContact CB-CB 4.08Å; Q444-A450 HydrophobicContact CG-CB 4.29Å; Q444-F488 HydrophobicContact CG-CD1 4.44Å; Q444-C489 PolarHBondContact N-O 3.21Å; Q444-T490 WeakPolarHBondContact O-CA 3.42Å; Q444-V491 PolarHBondContact O-N 2.82Å; Q444-D511 PolarHBondContact NE2-OD2 3.32Å; Q444-S719 PolarHBondContact OE1-OG 2.98Å
445P86.3Confident92.1Very high27 Ų2717.6 Ų17.618%0.1758%0.084CC..SBendtrans-71.2-32.2179.825-32.2000113E512 E515P445-E512 HydrophobicContact CG-CB 3.99Å; P445-E512 HydrophobicContact CG-CG 4.2Å; P445-E515 VanDerWaalsContact CG-OE1 3.23Å; P445-E515 WeakPolarHBondContact CG-OE1 3.31Å
446R85.3Confident91.9Very high45 Ų4521.2 Ų21.217%0.1710%0.098CC..SBendtrans-112.7145.6-175.9-70.8165.5-166.862.68.8112.5I448 S449 A450 E515 T718R446-I448 HydrophobicContact CB-CG2 4.11Å; R446-I448 PolarHBondContact O-N 2.79Å; R446-S449 WeakPolarHBondContact O-CB 3.25Å; R446-S449 PolarHBondContact O-N 2.95Å; R446-A450 PolarHBondContact O-N 3.1Å; R446-E515 IonicContact CZ-OE1 3.21Å; R446-E515 IonicContact CZ-OE2 3.4Å; R446-E515 IonicContact NH1-OE1 2.66Å; R446-E515 PolarHBondContact NH1-OE1 3.17Å; R446-E515 IonicContact NH1-OE2 2.66Å; R446-E515 PolarHBondContact NH1-OE2 2.99Å; R446-E515 IonicContact NH2-OE1 2.8Å; R446-E515 IonicContact NH2-OE2 3.22Å; R446-E515 PolarHBondContact NH2-OE2 3.47Å; R446-T718 PolarHBondContact NH1-OG1 3.3Å
447R84.5Confident91.9Very high80 Ų8021 Ų2130%0.30210%0.096SC..Hα-helixtrans-55-50.1173.1-66.8178.268.7-158.11.6111.5S449 A450 V451 V473 R474 T490R447-S449 VanDerWaalsContact C-N 3.31Å; R447-S449 PolarHBondContact O-N 3.22Å; R447-A450 PolarHBondContact O-N 3.47Å; R447-V451 WeakPolarHBondContact O-CG2 3.47Å; R447-V451 PolarHBondContact O-N 3.48Å; R447-V451 VanDerWaalsContact O-N 3.12Å; R447-V473 HydrophobicContact CB-CB 4.37Å; R447-V473 HydrophobicContact CB-CG1 4.44Å; R447-V473 HydrophobicContact CG-CB 4.18Å; R447-R474 VanDerWaalsContact CZ-O 3.23Å; R447-R474 PolarHBondContact NE-O 3.41Å; R447-R474 PolarHBondContact NH2-O 3.38Å; R447-T490 HydrophobicContact CB-CG2 4.39Å; R447-T490 HydrophobicContact CG-CG2 3.91Å
448I82Confident91.9Very high31 Ų3117.2 Ų17.216%0.1598%0.078CC..Hα-helixtrans-59.9-39.6-179.9-176.4161000112.1R446 V451 S452 F699 I715 I720R446-I448 HydrophobicContact CB-CG2 4.11Å; R446-I448 PolarHBondContact O-N 2.79Å; I448-V451 PolarHBondContact O-N 3.4Å; I448-S452 WeakPolarHBondContact O-CB 3.41Å; I448-S452 PolarHBondContact O-N 3.45Å; I448-S452 PolarHBondContact O-OG 3.43Å; I448-F699 HydrophobicContact CD1-CE2 4.44Å; I448-F699 HydrophobicContact CD1-CZ 4.44Å; I448-I715 HydrophobicContact CG2-CD1 4.17Å; I448-I715 HydrophobicContact CG2-CG1 4.08Å; I448-I720 HydrophobicContact CB-CD1 4.49Å; I448-I720 HydrophobicContact CD1-CD1 3.85Å; I448-I720 HydrophobicContact CG1-CD1 3.98Å; I448-I720 HydrophobicContact CG2-CD1 3.71Å; I448-I720 HydrophobicContact CG2-CG1 4.34Å
449S87.3Confident91.7Very high0 Ų022.4 Ų22.40%010%0.101CC..Hα-helixtrans-59.9-52.5175.3-60.50000112.1R446 R447 V451 S452 V453 S719R446-S449 WeakPolarHBondContact O-CB 3.25Å; R446-S449 PolarHBondContact O-N 2.95Å; R447-S449 VanDerWaalsContact C-N 3.31Å; R447-S449 PolarHBondContact O-N 3.22Å; S449-V451 VanDerWaalsContact C-N 3.3Å; S449-V451 PolarHBondContact O-N 3.25Å; S449-S452 PolarHBondContact O-N 2.96Å; S449-V453 VanDerWaalsContact O-CB 3.25Å; S449-V453 WeakPolarHBondContact O-CB 2.9Å; S449-V453 WeakPolarHBondContact O-CG2 3.33Å; S449-V453 PolarHBondContact O-N 3.23Å; S449-S719 WeakPolarHBondContact CB-OG 3.26Å; S449-S719 WeakPolarHBondContact OG-CB 3.25Å; S449-S719 PolarHBondContact OG-OG 2.97Å
450A91.4Very high91.4Very high0 Ų022.6 Ų22.60%010%0.102CC..Hα-helixtrans-57.8-41.7179.500000112.7Q444 R446 R447 A454 V473 F488Q444-A450 HydrophobicContact CB-CB 4.08Å; Q444-A450 HydrophobicContact CG-CB 4.29Å; R446-A450 PolarHBondContact O-N 3.1Å; R447-A450 PolarHBondContact O-N 3.47Å; A450-A454 VanDerWaalsContact O-CB 3.32Å; A450-A454 WeakPolarHBondContact O-CB 3.39Å; A450-A454 PolarHBondContact O-N 2.86Å; A450-V473 HydrophobicContact CB-CG1 3.66Å; A450-F488 HydrophobicContact CB-CB 4.42Å; A450-F488 WeakPolarHBondContact O-CB 3.21Å
451V89.3Confident91.2Very high10 Ų1023.2 Ų23.26%0.06110%0.104CC..Hα-helixtrans-69.5-56.5178.9175.40000111.1R447 I448 S449 V453 A454 E455 Y471 V473 R692R447-V451 WeakPolarHBondContact O-CG2 3.47Å; R447-V451 PolarHBondContact O-N 3.48Å; R447-V451 VanDerWaalsContact O-N 3.12Å; I448-V451 PolarHBondContact O-N 3.4Å; S449-V451 VanDerWaalsContact C-N 3.3Å; S449-V451 PolarHBondContact O-N 3.25Å; V451-V453 VanDerWaalsContact C-N 3.3Å; V451-V453 PolarHBondContact O-N 3.03Å; V451-A454 PolarHBondContact O-N 3.04Å; V451-A454 VanDerWaalsContact O-N 3.16Å; V451-E455 HydrophobicContact CG1-CG 4.39Å; V451-E455 VanDerWaalsContact CG1-OE1 3.3Å; V451-E455 WeakPolarHBondContact CG1-OE1 3.32Å; V451-E455 WeakPolarHBondContact O-CG 3.48Å; V451-E455 PolarHBondContact O-N 2.97Å; V451-Y471 HydrophobicContact CG1-CE1 4.29Å; V451-Y471 HydrophobicContact CG1-CE2 4.4Å; V451-Y471 HydrophobicContact CG2-CD2 3.77Å; V451-Y471 HydrophobicContact CG2-CE2 3.78Å; V451-Y471 HydrophobicContact CG2-CG 4.31Å; V451-V473 HydrophobicContact CG2-CG1 4.07Å; V451-V473 HydrophobicContact CG2-CG2 4.18Å; V451-R692 VanDerWaalsContact CG1-NH2 3.35Å
452S86.4Confident90.8Very high21 Ų2125 Ų2515%0.14712%0.123CC..Hα-helixtrans-66.7-30.9-174.2640000113.2I448 S449 R456I448-S452 WeakPolarHBondContact O-CB 3.41Å; I448-S452 PolarHBondContact O-N 3.45Å; I448-S452 PolarHBondContact O-OG 3.43Å; S449-S452 PolarHBondContact O-N 2.96Å; S452-R456 VanDerWaalsContact O-CB 3.29Å; S452-R456 WeakPolarHBondContact O-CB 3.39Å; S452-R456 PolarHBondContact O-N 2.64Å
453V91.3Very high90.6Very high6 Ų625.7 Ų25.74%0.03613%0.126CC..Hα-helixtrans-72.1-41.2174.6175.20000110.6T418 T419 S449 V451 R456 V457 F488T418-V453 HydrophobicContact CG2-CB 4.49Å; T418-V453 HydrophobicContact CG2-CG1 3.77Å; T418-V453 HydrophobicContact CG2-CG2 3.93Å; T419-V453 HydrophobicContact CG2-CG1 4.33Å; S449-V453 VanDerWaalsContact O-CB 3.25Å; S449-V453 WeakPolarHBondContact O-CB 2.9Å; S449-V453 WeakPolarHBondContact O-CG2 3.33Å; S449-V453 PolarHBondContact O-N 3.23Å; V451-V453 VanDerWaalsContact C-N 3.3Å; V451-V453 PolarHBondContact O-N 3.03Å; V453-R456 PolarHBondContact O-N 3.14Å; V453-V457 HydrophobicContact CG1-CG2 4.21Å; V453-V457 WeakPolarHBondContact O-CB 3.46Å; V453-V457 WeakPolarHBondContact O-CG2 3.34Å; V453-V457 PolarHBondContact O-N 3.23Å; V453-F488 HydrophobicContact CB-CD1 4.29Å; V453-F488 HydrophobicContact CB-CE1 4.25Å; V453-F488 HydrophobicContact CG1-CD1 3.76Å; V453-F488 HydrophobicContact CG1-CE1 3.26Å; V453-F488 HydrophobicContact CG1-CE2 4.12Å; V453-F488 HydrophobicContact CG1-CG 4.4Å; V453-F488 HydrophobicContact CG1-CZ 3.48Å; V453-F488 VanDerWaalsContact CG1-CZ 3.48Å
454A95Very high90.3Very high0 Ų032.9 Ų32.90%016%0.16CC..Hα-helixtrans-64.9-43.5175.300000112.4A450 V451 R456 V457 A458 Y471 F488A450-A454 VanDerWaalsContact O-CB 3.32Å; A450-A454 WeakPolarHBondContact O-CB 3.39Å; A450-A454 PolarHBondContact O-N 2.86Å; V451-A454 PolarHBondContact O-N 3.04Å; V451-A454 VanDerWaalsContact O-N 3.16Å; A454-R456 VanDerWaalsContact C-N 3.31Å; A454-R456 PolarHBondContact O-N 3.22Å; A454-V457 PolarHBondContact O-N 3.01Å; A454-A458 WeakPolarHBondContact O-CB 3.5Å; A454-A458 PolarHBondContact O-N 2.64Å; A454-Y471 HydrophobicContact CB-CD1 3.75Å; A454-Y471 HydrophobicContact CB-CG 4.23Å; A454-F488 HydrophobicContact CB-CB 4.11Å; A454-F488 HydrophobicContact CB-CD2 3.73Å; A454-F488 HydrophobicContact CB-CG 4.2Å
455E90.6Very high90.3Very high65 Ų6534.3 Ų34.330%0.30417%0.169SC..Hα-helixtrans-57-44.1172.3-71.2171.3177.100110.7V451 F459 P465 R692V451-E455 HydrophobicContact CG1-CG 4.39Å; V451-E455 VanDerWaalsContact CG1-OE1 3.3Å; V451-E455 WeakPolarHBondContact CG1-OE1 3.32Å; V451-E455 WeakPolarHBondContact O-CG 3.48Å; V451-E455 PolarHBondContact O-N 2.97Å; E455-F459 WeakPolarHBondContact O-CB 3.49Å; E455-F459 PolarHBondContact O-N 3.17Å; E455-P465 HydrophobicContact CG-CG 4.3Å; E455-R692 IonicContact OE1-NH2 3.09Å; E455-R692 PolarHBondContact OE1-NH2 2.99Å; E455-R692 VanDerWaalsContact OE1-NH2 3.12Å
456R89.3Confident90.6Very high76 Ų7634.4 Ų34.429%0.28718%0.175SC..Hα-helixtrans-68.7-39.3177.2178.359.1-172.1-174.66.4113.6T419 S452 V453 A454 F459 E460T419-R456 HydrophobicContact CG2-CG 4.33Å; S452-R456 VanDerWaalsContact O-CB 3.29Å; S452-R456 WeakPolarHBondContact O-CB 3.39Å; S452-R456 PolarHBondContact O-N 2.64Å; V453-R456 PolarHBondContact O-N 3.14Å; A454-R456 VanDerWaalsContact C-N 3.31Å; A454-R456 PolarHBondContact O-N 3.22Å; R456-F459 PolarHBondContact O-N 3.06Å; R456-E460 IonicContact CZ-OE1 3.32Å; R456-E460 VanDerWaalsContact CZ-OE1 3.27Å; R456-E460 IonicContact NE-OE1 3.91Å; R456-E460 PolarHBondContact NE-OE1 3.12Å; R456-E460 IonicContact NH2-OE1 2.62Å; R456-E460 PolarHBondContact NH2-OE1 3.26Å; R456-E460 WeakPolarHBondContact O-CB 3.25Å; R456-E460 WeakPolarHBondContact O-CG 3.25Å; R456-E460 PolarHBondContact O-N 3.33Å
457V94.9Very high91Very high0 Ų036.6 Ų36.60%019%0.186CC..Hα-helixtrans-73.5-34179.7169.80000111.4T419 Q423 V453 A454 E460 R461 C469 I486 F488T419-V457 HydrophobicContact CG2-CG2 4.08Å; Q423-V457 HydrophobicContact CG-CG1 3.84Å; V453-V457 HydrophobicContact CG1-CG2 4.21Å; V453-V457 WeakPolarHBondContact O-CB 3.46Å; V453-V457 WeakPolarHBondContact O-CG2 3.34Å; V453-V457 PolarHBondContact O-N 3.23Å; A454-V457 PolarHBondContact O-N 3.01Å; V457-E460 PolarHBondContact O-N 3.45Å; V457-R461 VanDerWaalsContact O-CG 3.29Å; V457-R461 WeakPolarHBondContact O-CG 3.39Å; V457-R461 PolarHBondContact O-N 2.76Å; V457-C469 HydrophobicContact CG1-CB 4.11Å; V457-I486 HydrophobicContact CG1-CD1 4.36Å; V457-F488 HydrophobicContact CB-CE2 4.07Å; V457-F488 HydrophobicContact CG1-CE2 4.26Å; V457-F488 HydrophobicContact CG2-CE2 4.03Å; V457-F488 HydrophobicContact CG2-CZ 3.97Å
458A94.9Very high91.5Very high0 Ų032.8 Ų32.80%017%0.171CC..Hα-helixtrans-62.8-49.5169.600000110.7A454 E460 R461 G462 E463 P465 C469A454-A458 WeakPolarHBondContact O-CB 3.5Å; A454-A458 PolarHBondContact O-N 2.64Å; A458-E460 VanDerWaalsContact C-N 3.32Å; A458-E460 PolarHBondContact O-N 3.1Å; A458-R461 PolarHBondContact O-N 3.45Å; A458-G462 PolarHBondContact O-N 3.28Å; A458-E463 CarbonylContact C-O 3.59Å; A458-E463 WeakPolarHBondContact CB-O 3.31Å; A458-E463 PolarHBondContact O-N 2.84Å; A458-E463 VanDerWaalsContact O-O 3.06Å; A458-P465 HydrophobicContact CB-CG 3.96Å; A458-C469 HydrophobicContact CB-CB 4.23Å
459F92.3Very high92.3Very high109 Ų10931.3 Ų31.348%0.47816%0.164SC..Hα-helixtrans-56-42.6174.5175.6-90.7000112.7I381 E455 R456 R461 G462I381-F459 HydrophobicContact CD1-CD1 4.43Å; I381-F459 HydrophobicContact CD1-CE1 3.81Å; I381-F459 HydrophobicContact CD1-CZ 3.89Å; I381-F459 HydrophobicContact CG1-CE1 4.26Å; E455-F459 WeakPolarHBondContact O-CB 3.49Å; E455-F459 PolarHBondContact O-N 3.17Å; R456-F459 PolarHBondContact O-N 3.06Å; F459-R461 PolarHBondContact O-N 2.75Å; F459-G462 PolarHBondContact O-N 3.22Å; F459-G462 VanDerWaalsContact O-N 3.12Å
460E92.4Very high92.8Very high5 Ų531.3 Ų31.32%0.02316%0.164CC..THydrogen-bonded Turntrans-64.7-5.5176.9-83-178.8-165.500115.3I381 R385 Q420 Q423 R456 V457 A458I381-E460 HydrophobicContact CG2-CB 4.35Å; I381-E460 HydrophobicContact CG2-CG 4.1Å; R385-E460 PolarHBondContact NH1-O 3.47Å; Q420-E460 PolarHBondContact NE2-OE2 3.3Å; Q423-E460 PolarHBondContact NE2-OE2 3.08Å; R456-E460 IonicContact CZ-OE1 3.32Å; R456-E460 VanDerWaalsContact CZ-OE1 3.27Å; R456-E460 IonicContact NE-OE1 3.91Å; R456-E460 PolarHBondContact NE-OE1 3.12Å; R456-E460 IonicContact NH2-OE1 2.62Å; R456-E460 PolarHBondContact NH2-OE1 3.26Å; R456-E460 WeakPolarHBondContact O-CB 3.25Å; R456-E460 WeakPolarHBondContact O-CG 3.25Å; R456-E460 PolarHBondContact O-N 3.33Å; V457-E460 PolarHBondContact O-N 3.45Å; A458-E460 VanDerWaalsContact C-N 3.32Å; A458-E460 PolarHBondContact O-N 3.1Å
461R93.1Very high93Very high12 Ų1231.7 Ų31.75%0.04517%0.165CC..THydrogen-bonded Turntrans-117.44.6178.3-61.2179.575.574.13.9113.2D427 V457 A458 F459 E463 S468D427-R461 VanDerWaalsContact CG-NH1 3.32Å; D427-R461 IonicContact OD1-CZ 2.96Å; D427-R461 IonicContact OD1-NH1 2.67Å; D427-R461 PolarHBondContact OD1-NH1 3Å; D427-R461 IonicContact OD1-NH2 2.73Å; D427-R461 PolarHBondContact OD1-NH2 3.39Å; D427-R461 IonicContact OD2-NH1 3.65Å; D427-R461 PolarHBondContact OD2-NH1 2.77Å; V457-R461 VanDerWaalsContact O-CG 3.29Å; V457-R461 WeakPolarHBondContact O-CG 3.39Å; V457-R461 PolarHBondContact O-N 2.76Å; A458-R461 PolarHBondContact O-N 3.45Å; F459-R461 PolarHBondContact O-N 2.75Å; R461-E463 HydrophobicContact CB-CB 4.47Å; R461-E463 HydrophobicContact CB-CG 4.17Å; R461-E463 PolarHBondContact O-N 3.45Å; R461-S468 WeakPolarHBondContact CD-OG 3.18Å; R461-S468 PolarHBondContact NE-OG 3.43Å; R461-S468 VanDerWaalsContact NE-OG 3.08Å
462G90.9Very high93.2Very high39 Ų3932 Ų3240%0.40217%0.168SC..THydrogen-bonded Turntrans6924.1-173.300000112.9A458 F459A458-G462 PolarHBondContact O-N 3.28Å; F459-G462 PolarHBondContact O-N 3.22Å; F459-G462 VanDerWaalsContact O-N 3.12Å
463E93.3Very high93.2Very high14 Ų1431.2 Ų31.27%0.06516%0.162CC..  trans-117.6150.9-174.4-67.7-173.9175.100112.5A458 R461 K467 S468A458-E463 CarbonylContact C-O 3.59Å; A458-E463 WeakPolarHBondContact CB-O 3.31Å; A458-E463 PolarHBondContact O-N 2.84Å; A458-E463 VanDerWaalsContact O-O 3.06Å; R461-E463 HydrophobicContact CB-CB 4.47Å; R461-E463 HydrophobicContact CB-CG 4.17Å; R461-E463 PolarHBondContact O-N 3.45Å; E463-K467 HydrophobicContact CB-CB 4.23Å; E463-K467 HydrophobicContact CB-CD 3.94Å; E463-K467 HydrophobicContact CG-CB 4.17Å; E463-K467 HydrophobicContact CG-CD 3.73Å; E463-K467 WeakPolarHBondContact OE2-CB 3.37Å; E463-S468 WeakPolarHBondContact OE1-CB 3.44Å; E463-S468 PolarHBondContact OE1-OG 3.22Å; E463-S468 WeakPolarHBondContact OE2-CA 3.41Å; E463-S468 WeakPolarHBondContact OE2-CB 3.39Å; E463-S468 PolarHBondContact OE2-N 3.17Å; E463-S468 PolarHBondContact OE2-OG 3.15Å
464E91.8Very high92.5Very high151 Ų15134.1 Ų34.171%0.70617%0.172SC*.  trans-82.8147.8160.6-71.6-67.5167.700110.1G466 K467E464-G466 PolarHBondContact O-N 3.48Å; E464-K467 PolarHBondContact O-N 3.42Å
465P93.5Very high91.2Very high30 Ų3035.6 Ų35.620%0.19518%0.179CC..THydrogen-bonded Turntrans-52.9134.9173.2-26.735.6000112.5E455 A458 Y471 I478E455-P465 HydrophobicContact CG-CG 4.3Å; A458-P465 HydrophobicContact CB-CG 3.96Å; P465-Y471 HydrophobicContact CB-CE1 4.5Å; P465-I478 HydrophobicContact CB-CD1 4.48Å; P465-I478 HydrophobicContact CB-CG2 4.21Å; P465-I478 WeakPolarHBondContact O-CG2 3.43Å
466G93Very high90.5Very high28 Ų2834.9 Ų34.929%0.28918%0.176SC..THydrogen-bonded Turntrans109.4-10.9-175.600000114.5E464 C469E464-G466 PolarHBondContact O-N 3.48Å; G466-C469 PolarHBondContact N-O 3.33Å
467K94.1Very high90.4Very high92 Ų9234.2 Ų34.240%0.418%0.183SC..SBendtrans-81.2-112.3168.8-72.2-174.9174.4-173.10111.2E463 E464 P480 R481E463-K467 HydrophobicContact CB-CB 4.23Å; E463-K467 HydrophobicContact CB-CD 3.94Å; E463-K467 HydrophobicContact CG-CB 4.17Å; E463-K467 HydrophobicContact CG-CD 3.73Å; E463-K467 WeakPolarHBondContact OE2-CB 3.37Å; E464-K467 PolarHBondContact O-N 3.42Å; K467-P480 WeakPolarHBondContact O-CA 3.42Å; K467-P480 WeakPolarHBondContact O-CB 3.4Å; K467-R481 WeakPolarHBondContact O-CG 3.23Å; K467-R481 PolarHBondContact O-N 2.69Å
468S95.9Very high90.3Very high0 Ų037.4 Ų37.40%020%0.199CC..SBendtrans-76.1-28.6176.776.30000112.3R461 E463 S485 I486R461-S468 WeakPolarHBondContact CD-OG 3.18Å; R461-S468 PolarHBondContact NE-OG 3.43Å; R461-S468 VanDerWaalsContact NE-OG 3.08Å; E463-S468 WeakPolarHBondContact OE1-CB 3.44Å; E463-S468 PolarHBondContact OE1-OG 3.22Å; E463-S468 WeakPolarHBondContact OE2-CA 3.41Å; E463-S468 WeakPolarHBondContact OE2-CB 3.39Å; E463-S468 PolarHBondContact OE2-N 3.17Å; E463-S468 PolarHBondContact OE2-OG 3.15Å; S468-S485 CarbonylContact O-C 3.51Å; S468-S485 WeakPolarHBondContact O-CA 3.29Å; S468-S485 WeakPolarHBondContact O-CB 3.12Å; S468-I486 PolarHBondContact O-N 3.47Å
469C97.5Very high90.3Very high0 Ų040.8 Ų40.80%022%0.217CC..EExtended strand (participates in β ladder)trans-115.2141.4177.8-167.50000111.7V457 A458 G466 I486V457-C469 HydrophobicContact CG1-CB 4.11Å; A458-C469 HydrophobicContact CB-CB 4.23Å; G466-C469 PolarHBondContact N-O 3.33Å; C469-I486 WeakPolarHBondContact CA-O 3.35Å
470G97.6Very high90.5Very high0 Ų036 Ų360%020%0.196CC..EExtended strand (participates in β ladder)trans-156.5179.9175.800000112.1I478 I486 F488G470-I478 CarbonylContact C-O 3.49Å; G470-I478 VanDerWaalsContact CA-O 3.25Å; G470-I478 WeakPolarHBondContact CA-O 3.41Å; G470-I486 PolarHBondContact N-O 2.98Å; G470-F488 PolarHBondContact O-N 3.28Å
471Y96.6Very high90.6Very high8 Ų838 Ų383%0.03120%0.204CC..EExtended strand (participates in β ladder)trans-139.9155.4178.662.6-92.4000114.5V451 A454 P465 E476 S477 I478 F488V451-Y471 HydrophobicContact CG1-CE1 4.29Å; V451-Y471 HydrophobicContact CG1-CE2 4.4Å; V451-Y471 HydrophobicContact CG2-CD2 3.77Å; V451-Y471 HydrophobicContact CG2-CE2 3.78Å; V451-Y471 HydrophobicContact CG2-CG 4.31Å; A454-Y471 HydrophobicContact CB-CD1 3.75Å; A454-Y471 HydrophobicContact CB-CG 4.23Å; P465-Y471 HydrophobicContact CB-CE1 4.5Å; Y471-E476 HydrophobicContact CE2-CG 4.14Å; Y471-E476 WeakPolarHBondContact CE2-OE1 3.22Å; Y471-E476 PolarHBondContact OH-OE1 2.62Å; Y471-S477 CarbonylContact O-C 3.56Å; Y471-S477 WeakPolarHBondContact O-CA 3.44Å; Y471-I478 HydrophobicContact CD1-CB 4.5Å; Y471-I478 HydrophobicContact CE1-CB 4.15Å; Y471-I478 HydrophobicContact CE1-CD1 3.87Å; Y471-I478 HydrophobicContact CE1-CG1 4.08Å; Y471-I478 HydrophobicContact CE2-CG1 4.38Å; Y471-I478 PolarHBondContact N-O 2.78Å; Y471-I478 CarbonylContact O-C 3.25Å; Y471-I478 PolarHBondContact O-N 2.72Å; Y471-I478 VanDerWaalsContact O-O 3.14Å; Y471-I478 VanDerWaalsContact OH-CD1 3.3Å; Y471-I478 WeakPolarHBondContact OH-CD1 3.32Å; Y471-F488 CarbonylContact C-O 3.54Å; Y471-F488 WeakPolarHBondContact CA-O 3.14Å; Y471-F488 WeakPolarHBondContact CB-O 3.34Å
472S93Very high90.6Very high17 Ų1738.2 Ų38.212%0.11921%0.207CC..EExtended strand (participates in β ladder)trans-139.4116.2169.5-173.30000111.2S477 F488 C489 T490 V493S472-S477 WeakPolarHBondContact CA-OG 3.39Å; S472-S477 WeakPolarHBondContact CB-OG 3.13Å; S472-S477 PolarHBondContact OG-OG 2.85Å; S472-F488 PolarHBondContact N-O 3.17Å; S472-C489 WeakPolarHBondContact O-CA 3.32Å; S472-C489 WeakPolarHBondContact O-CB 3.34Å; S472-T490 PolarHBondContact O-N 2.88Å; S472-V493 WeakPolarHBondContact OG-CG1 3.37Å
473V86.8Confident90.8Very high4 Ų436.7 Ų36.72%0.02419%0.189CC..EExtended strand (participates in β ladder)trans-124.5168.5176.6-58.30000109.9R447 A450 V451 F475 E476 T490R447-V473 HydrophobicContact CB-CB 4.37Å; R447-V473 HydrophobicContact CB-CG1 4.44Å; R447-V473 HydrophobicContact CG-CB 4.18Å; A450-V473 HydrophobicContact CB-CG1 3.66Å; V451-V473 HydrophobicContact CG2-CG1 4.07Å; V451-V473 HydrophobicContact CG2-CG2 4.18Å; V473-F475 PolarHBondContact O-N 3.15Å; V473-F475 VanDerWaalsContact O-N 3.13Å; V473-E476 CarbonylContact C-O 3.57Å; V473-E476 HydrophobicContact CG2-CB 3.81Å; V473-E476 PolarHBondContact N-O 3.13Å; V473-E476 PolarHBondContact O-N 3.37Å; V473-E476 VanDerWaalsContact O-N 3.16Å; V473-T490 HydrophobicContact CB-CG2 4.34Å; V473-T490 HydrophobicContact CG1-CG2 4.08Å
474R76.3Confident90.9Very high67 Ų6736 Ų3625%0.25319%0.186SC..THydrogen-bonded Turntrans-55.5125.2174.8-165-179.4170161-5.8109.5R447 E476 P859R447-R474 VanDerWaalsContact CZ-O 3.23Å; R447-R474 PolarHBondContact NE-O 3.41Å; R447-R474 PolarHBondContact NH2-O 3.38Å; R474-E476 VanDerWaalsContact C-N 3.32Å; R474-E476 PolarHBondContact O-N 3.25Å; R474-P859 PolarHBondContact NH1-O 2.67Å; R474-P859 PolarHBondContact NH2-O 2.88Å
475F68.4Low91.2Very high31 Ų3128.9 Ų28.914%0.13615%0.152CC..THydrogen-bonded Turntrans71.5-0.5-179.2-44.8-55.5000118.1V473 F889 E955 A956 Q959V473-F475 PolarHBondContact O-N 3.15Å; V473-F475 VanDerWaalsContact O-N 3.13Å; F475-F889 HydrophobicContact CD2-CZ 4.09Å; F475-F889 HydrophobicContact CE2-CE1 4.23Å; F475-F889 HydrophobicContact CE2-CE2 4.41Å; F475-F889 AromaticContact CE2-CZ 3.51Å; F475-F889 HydrophobicContact CE2-CZ 3.51Å; F475-F889 HydrophobicContact CZ-CZ 4.3Å; F475-E955 HydrophobicContact CB-CB 4.05Å; F475-E955 HydrophobicContact CG-CB 4.43Å; F475-A956 HydrophobicContact CD1-CB 4.26Å; F475-A956 HydrophobicContact CD2-CB 4.47Å; F475-A956 HydrophobicContact CE1-CB 3.58Å; F475-A956 HydrophobicContact CE2-CB 3.8Å; F475-A956 HydrophobicContact CZ-CB 3.25Å; F475-Q959 HydrophobicContact CD1-CB 4.08Å; F475-Q959 HydrophobicContact CD1-CG 4.47Å; F475-Q959 HydrophobicContact CE1-CB 4.13Å; F475-Q959 HydrophobicContact CE1-CG 4.37Å; F475-Q959 VanDerWaalsContact CE1-OE1 3.29Å
476E75.8Confident91.4Very high50 Ų5027.4 Ų27.423%0.23414%0.143CC..EExtended strand (participates in β ladder)trans-149.8135.1-175-168.1-168.1153.600111Y471 V473 R474 R692Y471-E476 HydrophobicContact CE2-CG 4.14Å; Y471-E476 WeakPolarHBondContact CE2-OE1 3.22Å; Y471-E476 PolarHBondContact OH-OE1 2.62Å; V473-E476 CarbonylContact C-O 3.57Å; V473-E476 HydrophobicContact CG2-CB 3.81Å; V473-E476 PolarHBondContact N-O 3.13Å; V473-E476 PolarHBondContact O-N 3.37Å; V473-E476 VanDerWaalsContact O-N 3.16Å; R474-E476 VanDerWaalsContact C-N 3.32Å; R474-E476 PolarHBondContact O-N 3.25Å; E476-R692 IonicContact OE1-CZ 3.83Å; E476-R692 IonicContact OE1-NH1 3.12Å; E476-R692 PolarHBondContact OE1-NH1 3.31Å; E476-R692 IonicContact OE1-NH2 2.64Å; E476-R692 IonicContact OE2-NH1 3.56Å; E476-R692 PolarHBondContact OE2-NH1 3.42Å
477S85.3Confident91.7Very high62 Ų6226.3 Ų26.343%0.43413%0.13SC..EExtended strand (participates in β ladder)trans-155.6137.9179.2-63.10000112.7Y471 S472Y471-S477 CarbonylContact O-C 3.56Å; Y471-S477 WeakPolarHBondContact O-CA 3.44Å; S472-S477 WeakPolarHBondContact CA-OG 3.39Å; S472-S477 WeakPolarHBondContact CB-OG 3.13Å; S472-S477 PolarHBondContact OG-OG 2.85Å
478I94Very high91.9Very high67 Ų6721.9 Ų21.934%0.34411%0.111SC..EExtended strand (participates in β ladder)trans-124.899165.6-57.9-176.8000105.9P465 G470 Y471P465-I478 HydrophobicContact CB-CD1 4.48Å; P465-I478 HydrophobicContact CB-CG2 4.21Å; P465-I478 WeakPolarHBondContact O-CG2 3.43Å; G470-I478 CarbonylContact C-O 3.49Å; G470-I478 VanDerWaalsContact CA-O 3.25Å; G470-I478 WeakPolarHBondContact CA-O 3.41Å; Y471-I478 HydrophobicContact CD1-CB 4.5Å; Y471-I478 HydrophobicContact CE1-CB 4.15Å; Y471-I478 HydrophobicContact CE1-CD1 3.87Å; Y471-I478 HydrophobicContact CE1-CG1 4.08Å; Y471-I478 HydrophobicContact CE2-CG1 4.38Å; Y471-I478 PolarHBondContact N-O 2.78Å; Y471-I478 CarbonylContact O-C 3.25Å; Y471-I478 PolarHBondContact O-N 2.72Å; Y471-I478 VanDerWaalsContact O-O 3.14Å; Y471-I478 VanDerWaalsContact OH-CD1 3.3Å; Y471-I478 WeakPolarHBondContact OH-CD1 3.32Å
479L95.4Very high91.9Very high71 Ų7121.9 Ų21.937%0.37211%0.111SC..  trans-77.4137.8-175-57.5-177.4000110.7W342 T343 M487W342-L479 HydrophobicContact CB-CD1 4.46Å; T343-L479 HydrophobicContact CG2-CD1 3.95Å; L479-M487 HydrophobicContact CD2-SD 4.21Å
480P96.7Very high91.7Very high7 Ų722.6 Ų22.65%0.04512%0.115CC..  trans-77.8175.517334.4-34000111.7K467 M487K467-P480 WeakPolarHBondContact O-CA 3.42Å; K467-P480 WeakPolarHBondContact O-CB 3.4Å; P480-M487 HydrophobicContact CG-CB 4.17Å
481R93.9Very high91.5Very high49 Ų4922.9 Ų22.919%0.18512%0.117CC..  trans-58.6159.217568.7-177.4178-142.6-6112.8W342 E367 K467 H483 A484 S485W342-R481 PolarHBondContact NE1-O 3.23Å; E367-R481 IonicContact OE2-NH1 2.73Å; K467-R481 WeakPolarHBondContact O-CG 3.23Å; K467-R481 PolarHBondContact O-N 2.69Å; R481-H483 VanDerWaalsContact CG-O 3.3Å; R481-H483 WeakPolarHBondContact CG-O 3.4Å; R481-H483 PolarHBondContact NE-O 2.92Å; R481-H483 PolarHBondContact O-N 3.2Å; R481-A484 PolarHBondContact NE-O 3.22Å; R481-A484 VanDerWaalsContact NE-O 3.14Å; R481-A484 PolarHBondContact NH2-O 3.4Å; R481-S485 VanDerWaalsContact O-CB 3.26Å; R481-S485 WeakPolarHBondContact O-CB 3.23Å; R481-S485 PolarHBondContact O-OG 2.69Å
482P93.3Very high91.1Very high16 Ų1623.7 Ų23.710%0.10413%0.128CC..SBendtrans-70.4-18.6-171.9-23.135.8000117.3N340 P341 I347 L352 N439N340-P482 HydrophobicContact CB-CB 4.27Å; N340-P482 HydrophobicContact CB-CG 4.44Å; P341-P482 WeakPolarHBondContact CD-O 3.31Å; P341-P482 WeakPolarHBondContact CG-O 3.43Å; I347-P482 HydrophobicContact CD1-CB 3.83Å; I347-P482 HydrophobicContact CD1-CG 3.96Å; L352-P482 HydrophobicContact CD1-CG 4.18Å; N439-P482 PolarHBondContact ND2-O 2.92Å; N439-P482 PolarHBondContact OD1-O 2.84Å
483H94.4Very high90.9Very high7 Ų724 Ų243%0.03213%0.129CC..SBendtrans-137.8151.6-174.8-67.4-83.9000110.6Q336 I360 A436 N439 R481Q336-H483 PolarHBondContact O-CE1 2.75Å; I360-H483 HydrophobicContact CG2-CB 3.98Å; A436-H483 PolarHBondContact O-ND1 2.8Å; N439-H483 WeakPolarHBondContact OD1-CA 3.28Å; R481-H483 VanDerWaalsContact CG-O 3.3Å; R481-H483 WeakPolarHBondContact CG-O 3.4Å; R481-H483 PolarHBondContact NE-O 2.92Å; R481-H483 PolarHBondContact O-N 3.2Å
484A96.2Very high91.2Very high0 Ų023.9 Ų23.90%013%0.129CC..SBendtrans51.258.9-176.500000111.4L364 L426 I430 A435 C438 R481L364-A484 HydrophobicContact CD1-CB 3.68Å; L426-A484 HydrophobicContact CD1-CB 3.81Å; I430-A484 HydrophobicContact CD1-CB 4.47Å; I430-A484 HydrophobicContact CG1-CB 4.33Å; A435-A484 HydrophobicContact CB-CB 3.74Å; A435-A484 WeakPolarHBondContact O-CA 3.26Å; A435-A484 WeakPolarHBondContact O-CB 3.36Å; A435-A484 PolarHBondContact O-N 3.17Å; C438-A484 WeakPolarHBondContact O-CA 3.39Å; C438-A484 PolarHBondContact O-N 2.94Å; R481-A484 PolarHBondContact NE-O 3.22Å; R481-A484 VanDerWaalsContact NE-O 3.14Å; R481-A484 PolarHBondContact NH2-O 3.4Å
485S97.4Very high91.9Very high0 Ų021.6 Ų21.60%012%0.121CC..EExtended strand (participates in β ladder)trans-145.1154.7-169.766.40000115.3W342 C438 N439 I440 S468 R481W342-S485 WeakPolarHBondContact CZ2-OG 3.25Å; W342-S485 PolarHBondContact NE1-OG 3.43Å; C438-S485 PolarHBondContact O-N 3.38Å; N439-S485 WeakPolarHBondContact CA-O 3.24Å; N439-S485 PolarHBondContact OD1-OG 2.91Å; I440-S485 PolarHBondContact N-O 3.38Å; S468-S485 CarbonylContact O-C 3.51Å; S468-S485 WeakPolarHBondContact O-CA 3.29Å; S468-S485 WeakPolarHBondContact O-CB 3.12Å; R481-S485 VanDerWaalsContact O-CB 3.26Å; R481-S485 WeakPolarHBondContact O-CB 3.23Å; R481-S485 PolarHBondContact O-OG 2.69Å
486I98.6Very high92.6Very high0 Ų024.9 Ų24.90%013%0.132CC..EExtended strand (participates in β ladder)trans-120119.3-179.7-60.5155.1000108.9P422 Q423 L426 I440 V442 V457 S468 C469 G470 F488P422-I486 HydrophobicContact CB-CD1 3.92Å; P422-I486 HydrophobicContact CB-CG1 4.1Å; P422-I486 HydrophobicContact CB-CG2 3.97Å; Q423-I486 HydrophobicContact CG-CD1 4.2Å; L426-I486 HydrophobicContact CB-CD1 4.2Å; L426-I486 HydrophobicContact CB-CG1 4.48Å; L426-I486 HydrophobicContact CD2-CD1 3.68Å; L426-I486 HydrophobicContact CD2-CG1 4.01Å; I440-I486 HydrophobicContact CB-CG1 4.2Å; I440-I486 HydrophobicContact CD1-CG1 4.05Å; I440-I486 CarbonylContact O-C 3.57Å; I440-I486 WeakPolarHBondContact O-CA 3.43Å; V442-I486 HydrophobicContact CG2-CG2 3.98Å; V457-I486 HydrophobicContact CG1-CD1 4.36Å; S468-I486 PolarHBondContact O-N 3.47Å; C469-I486 WeakPolarHBondContact CA-O 3.35Å; G470-I486 PolarHBondContact N-O 2.98Å; I486-F488 HydrophobicContact CG2-CD2 3.93Å; I486-F488 HydrophobicContact CG2-CE2 3.47Å; I486-F488 VanDerWaalsContact CG2-CE2 3.47Å; I486-F488 HydrophobicContact CG2-CZ 3.97Å
487M98.1Very high93.1Very high4 Ų423.7 Ų23.72%0.0213%0.127CC..EExtended strand (participates in β ladder)trans-109.9110.6173.1-172.8-179.37100110.6W342 I440 V441 V442 L479 P480 K497W342-M487 HydrophobicContact CB-SD 4.4Å; W342-M487 HydrophobicContact CD2-CB 4.21Å; W342-M487 HydrophobicContact CD2-SD 4.07Å; W342-M487 HydrophobicContact CE3-CB 3.89Å; W342-M487 HydrophobicContact CE3-CE 3.52Å; W342-M487 HydrophobicContact CE3-CG 4.36Å; W342-M487 HydrophobicContact CE3-SD 3.59Å; W342-M487 VanDerWaalsContact CE3-SD 3.59Å; W342-M487 HydrophobicContact CG-SD 4.41Å; W342-M487 HydrophobicContact CH2-CB 3.98Å; W342-M487 HydrophobicContact CZ2-CB 4.27Å; W342-M487 HydrophobicContact CZ3-CB 3.78Å; W342-M487 HydrophobicContact CZ3-CE 3.77Å; W342-M487 HydrophobicContact CZ3-SD 4.25Å; I440-M487 PolarHBondContact O-N 2.97Å; V441-M487 WeakPolarHBondContact CA-O 3.41Å; V441-M487 HydrophobicContact CG2-CE 3.76Å; V442-M487 PolarHBondContact N-O 3.22Å; L479-M487 HydrophobicContact CD2-SD 4.21Å; P480-M487 HydrophobicContact CG-CB 4.17Å; M487-K497 HydrophobicContact CE-CD 4.35Å
488F98.1Very high93.3Very high0 Ų020.9 Ų20.90%011%0.107CC..EExtended strand (participates in β ladder)trans-79136.9168.8-70.6-88.3000110.4P422 V442 Q444 A450 V453 A454 V457 G470 Y471 S472 I486P422-F488 HydrophobicContact CG-CZ 4.24Å; V442-F488 HydrophobicContact CB-CD1 3.58Å; V442-F488 HydrophobicContact CB-CE1 3.63Å; V442-F488 HydrophobicContact CB-CG 4.3Å; V442-F488 HydrophobicContact CB-CZ 4.41Å; V442-F488 HydrophobicContact CG1-CD1 3.77Å; V442-F488 HydrophobicContact CG1-CE1 3.58Å; V442-F488 HydrophobicContact CG2-CD1 4.22Å; V442-F488 HydrophobicContact CG2-CE1 3.88Å; V442-F488 HydrophobicContact CG2-CZ 4.19Å; V442-F488 CarbonylContact O-C 3.55Å; V442-F488 WeakPolarHBondContact O-CA 3.41Å; Q444-F488 HydrophobicContact CG-CD1 4.44Å; A450-F488 HydrophobicContact CB-CB 4.42Å; A450-F488 WeakPolarHBondContact O-CB 3.21Å; V453-F488 HydrophobicContact CB-CD1 4.29Å; V453-F488 HydrophobicContact CB-CE1 4.25Å; V453-F488 HydrophobicContact CG1-CD1 3.76Å; V453-F488 HydrophobicContact CG1-CE1 3.26Å; V453-F488 HydrophobicContact CG1-CE2 4.12Å; V453-F488 HydrophobicContact CG1-CG 4.4Å; V453-F488 HydrophobicContact CG1-CZ 3.48Å; V453-F488 VanDerWaalsContact CG1-CZ 3.48Å; A454-F488 HydrophobicContact CB-CB 4.11Å; A454-F488 HydrophobicContact CB-CD2 3.73Å; A454-F488 HydrophobicContact CB-CG 4.2Å; V457-F488 HydrophobicContact CB-CE2 4.07Å; V457-F488 HydrophobicContact CG1-CE2 4.26Å; V457-F488 HydrophobicContact CG2-CE2 4.03Å; V457-F488 HydrophobicContact CG2-CZ 3.97Å; G470-F488 PolarHBondContact O-N 3.28Å; Y471-F488 CarbonylContact C-O 3.54Å; Y471-F488 WeakPolarHBondContact CA-O 3.14Å; Y471-F488 WeakPolarHBondContact CB-O 3.34Å; S472-F488 PolarHBondContact N-O 3.17Å; I486-F488 HydrophobicContact CG2-CD2 3.93Å; I486-F488 HydrophobicContact CG2-CE2 3.47Å; I486-F488 VanDerWaalsContact CG2-CE2 3.47Å; I486-F488 HydrophobicContact CG2-CZ 3.97Å
489C96.8Very high92.8Very high0 Ų021.4 Ų21.40%011%0.108CC..EExtended strand (participates in β ladder)trans-148.5159.2178650000113.2V441 V442 T443 Q444 S472 V493V441-C489 VanDerWaalsContact CG2-SG 3.59Å; V442-C489 PolarHBondContact O-N 2.85Å; T443-C489 CarbonylContact C-O 3.57Å; T443-C489 VanDerWaalsContact CA-O 3.29Å; T443-C489 WeakPolarHBondContact CA-O 3.4Å; Q444-C489 PolarHBondContact N-O 3.21Å; S472-C489 WeakPolarHBondContact O-CA 3.32Å; S472-C489 WeakPolarHBondContact O-CB 3.34Å; C489-V493 HydrophobicContact CB-CB 4.23Å; C489-V493 HydrophobicContact CB-CG1 4.04Å
490T93.7Very high92.2Very high14 Ų1419.4 Ų19.49%0.08610%0.101CC..EExtended strand (participates in β ladder)trans-69.3144.2164.644.50000110.3Q444 R447 S472 V473 G492 V493 L494Q444-T490 WeakPolarHBondContact O-CA 3.42Å; R447-T490 HydrophobicContact CB-CG2 4.39Å; R447-T490 HydrophobicContact CG-CG2 3.91Å; S472-T490 PolarHBondContact O-N 2.88Å; V473-T490 HydrophobicContact CB-CG2 4.34Å; V473-T490 HydrophobicContact CG1-CG2 4.08Å; T490-G492 VanDerWaalsContact C-N 3.26Å; T490-G492 PolarHBondContact O-N 2.84Å; T490-G492 VanDerWaalsContact O-N 3.14Å; T490-V493 WeakPolarHBondContact O-CA 3.16Å; T490-V493 WeakPolarHBondContact O-CB 3.31Å; T490-V493 PolarHBondContact O-N 2.92Å; T490-V493 WeakPolarHBondContact OG1-CG2 3.34Å; T490-L494 PolarHBondContact O-N 2.86Å
491V92.4Very high91.7Very high6 Ų619 Ų194%0.03610%0.099CC..Hα-helixtrans-47-47.6179.3-174.20000112.3Q444 V493 L494 L495 N519 L523Q444-V491 PolarHBondContact O-N 2.82Å; V491-V493 PolarHBondContact O-N 3.02Å; V491-V493 VanDerWaalsContact O-N 3.15Å; V491-L494 PolarHBondContact O-N 2.9Å; V491-L495 HydrophobicContact CG1-CG 4.4Å; V491-L495 WeakPolarHBondContact O-CG 3.37Å; V491-L495 PolarHBondContact O-N 2.98Å; V491-N519 HydrophobicContact CB-CB 4.14Å; V491-N519 HydrophobicContact CG1-CB 3.72Å; V491-N519 WeakPolarHBondContact CG1-O 3.49Å; V491-L523 HydrophobicContact CG1-CB 4.15Å; V491-L523 HydrophobicContact CG1-CD2 3.98Å
492G88.1Confident91.6Very high26 Ų2616.8 Ų16.827%0.2689%0.091SC..Hα-helixtrans-63.6-16.3178.300000116.2T490 R496T490-G492 VanDerWaalsContact C-N 3.26Å; T490-G492 PolarHBondContact O-N 2.84Å; T490-G492 VanDerWaalsContact O-N 3.14Å; G492-R496 PolarHBondContact O-N 2.93Å
493V89.3Confident91.5Very high24 Ų2416.3 Ų16.315%0.1459%0.087CC..Hα-helixtrans-79.2-43.9170.2164.40000110.3S472 C489 T490 V491 L495 R496 K497S472-V493 WeakPolarHBondContact OG-CG1 3.37Å; C489-V493 HydrophobicContact CB-CB 4.23Å; C489-V493 HydrophobicContact CB-CG1 4.04Å; T490-V493 WeakPolarHBondContact O-CA 3.16Å; T490-V493 WeakPolarHBondContact O-CB 3.31Å; T490-V493 PolarHBondContact O-N 2.92Å; T490-V493 WeakPolarHBondContact OG1-CG2 3.34Å; V491-V493 PolarHBondContact O-N 3.02Å; V491-V493 VanDerWaalsContact O-N 3.15Å; V493-L495 VanDerWaalsContact C-N 3.28Å; V493-L495 PolarHBondContact O-N 2.83Å; V493-R496 PolarHBondContact O-N 3.28Å; V493-K497 PolarHBondContact O-N 2.82Å; V493-K497 VanDerWaalsContact O-N 3.08Å
494L93.5Very high91.4Very high1 Ų116 Ų161%0.0059%0.086CC..Hα-helixtrans-60-41.5172-177.557.9000110.6V441 T443 T490 V491 R496 K497 L498 I502 V508 L523V441-L494 HydrophobicContact CG1-CD1 4.33Å; V441-L494 HydrophobicContact CG1-CD2 4.24Å; V441-L494 HydrophobicContact CG2-CD1 4.38Å; T443-L494 HydrophobicContact CG2-CB 4.05Å; T443-L494 HydrophobicContact CG2-CD2 3.44Å; T443-L494 VanDerWaalsContact CG2-CD2 3.44Å; T443-L494 HydrophobicContact CG2-CG 4.39Å; T490-L494 PolarHBondContact O-N 2.86Å; V491-L494 PolarHBondContact O-N 2.9Å; L494-R496 VanDerWaalsContact C-N 3.35Å; L494-R496 PolarHBondContact O-N 2.71Å; L494-K497 HydrophobicContact CD1-CB 4.44Å; L494-K497 CarbonylContact O-C 3.39Å; L494-K497 WeakPolarHBondContact O-CA 3.35Å; L494-K497 VanDerWaalsContact O-CB 3.28Å; L494-K497 WeakPolarHBondContact O-CB 3.5Å; L494-K497 PolarHBondContact O-N 3.49Å; L494-L498 WeakPolarHBondContact O-CG 3.3Å; L494-L498 PolarHBondContact O-N 3.03Å; L494-I502 HydrophobicContact CD1-CG2 4.11Å; L494-V508 HydrophobicContact CD2-CG1 4.03Å; L494-L523 HydrophobicContact CD2-CD1 3.98Å; L494-L523 HydrophobicContact CD2-CD2 3.96Å; L494-L523 HydrophobicContact CG-CD1 4.41Å
495L90.2Very high91.4Very high18 Ų1816 Ų169%0.0949%0.086CC..Hα-helixtrans-58.2-41178.1-66.7-173.3000113.7V491 V493 K497 L498 N519 F522 L523V491-L495 HydrophobicContact CG1-CG 4.4Å; V491-L495 WeakPolarHBondContact O-CG 3.37Å; V491-L495 PolarHBondContact O-N 2.98Å; V493-L495 VanDerWaalsContact C-N 3.28Å; V493-L495 PolarHBondContact O-N 2.83Å; L495-K497 VanDerWaalsContact C-N 3.34Å; L495-L498 HydrophobicContact CD2-CD1 3.66Å; L495-L498 WeakPolarHBondContact O-CB 3.29Å; L495-L498 PolarHBondContact O-N 3.36Å; L495-N519 HydrophobicContact CD1-CB 3.82Å; L495-F522 HydrophobicContact CD1-CD1 3.69Å; L495-F522 HydrophobicContact CD1-CE1 4.28Å; L495-F522 HydrophobicContact CD2-CD1 3.6Å; L495-F522 HydrophobicContact CD2-CE1 3.87Å; L495-F522 HydrophobicContact CG-CD1 4.28Å; L495-L523 HydrophobicContact CD2-CB 3.98Å; L495-L523 HydrophobicContact CD2-CD1 4Å
496R83.9Confident91.4Very high100 Ų10016.7 Ų16.738%0.3779%0.09SC..Hα-helixtrans-67.4-36.6172.6-66.8-175.4-150.5168.611.8112G492 V493 L494 L498 E499G492-R496 PolarHBondContact O-N 2.93Å; V493-R496 PolarHBondContact O-N 3.28Å; L494-R496 VanDerWaalsContact C-N 3.35Å; L494-R496 PolarHBondContact O-N 2.71Å; R496-L498 PolarHBondContact O-N 3.22Å; R496-E499 WeakPolarHBondContact O-CB 3.4Å; R496-E499 PolarHBondContact O-N 2.93Å; R496-E499 VanDerWaalsContact O-N 3.15Å
497K86.9Confident91.4Very high26 Ų2617 Ų1711%0.1139%0.092CC..Hα-helixtrans-63.2-30177.9-170.6168.5-175.760.90112.8P341 W342 S344 M487 V493 L494 L495 E499 A500 G501P341-K497 WeakPolarHBondContact O-CE 3.3Å; P341-K497 PolarHBondContact O-NZ 3.26Å; W342-K497 PolarHBondContact O-NZ 3.44Å; S344-K497 PolarHBondContact OG-NZ 3.36Å; M487-K497 HydrophobicContact CE-CD 4.35Å; V493-K497 PolarHBondContact O-N 2.82Å; V493-K497 VanDerWaalsContact O-N 3.08Å; L494-K497 HydrophobicContact CD1-CB 4.44Å; L494-K497 CarbonylContact O-C 3.39Å; L494-K497 WeakPolarHBondContact O-CA 3.35Å; L494-K497 VanDerWaalsContact O-CB 3.28Å; L494-K497 WeakPolarHBondContact O-CB 3.5Å; L494-K497 PolarHBondContact O-N 3.49Å; L495-K497 VanDerWaalsContact C-N 3.34Å; K497-E499 PolarHBondContact O-N 2.95Å; K497-E499 VanDerWaalsContact O-N 3.1Å; K497-A500 PolarHBondContact O-N 2.99Å; K497-A500 VanDerWaalsContact O-N 3.08Å; K497-G501 PolarHBondContact O-N 3.42Å
498L88.9Confident91.4Very high3 Ų316.8 Ų16.82%0.0169%0.091CC..G310 helixtrans-55.6-24.5173.8-59.3172.7000112.9V330 L494 L495 R496 A500 G501 I502 L523 V526 L808V330-L498 HydrophobicContact CG1-CB 4.08Å; V330-L498 HydrophobicContact CG1-CD2 3.87Å; V330-L498 HydrophobicContact CG2-CB 4.12Å; V330-L498 HydrophobicContact CG2-CD2 4.32Å; L494-L498 WeakPolarHBondContact O-CG 3.3Å; L494-L498 PolarHBondContact O-N 3.03Å; L495-L498 HydrophobicContact CD2-CD1 3.66Å; L495-L498 WeakPolarHBondContact O-CB 3.29Å; L495-L498 PolarHBondContact O-N 3.36Å; R496-L498 PolarHBondContact O-N 3.22Å; L498-A500 VanDerWaalsContact C-N 3.26Å; L498-A500 PolarHBondContact O-N 3.15Å; L498-G501 PolarHBondContact O-N 3.06Å; L498-I502 HydrophobicContact CD2-CG2 3.84Å; L498-L523 HydrophobicContact CD1-CD1 4.46Å; L498-V526 HydrophobicContact CD1-CB 4.45Å; L498-V526 HydrophobicContact CD1-CG1 4.02Å; L498-V526 HydrophobicContact CD1-CG2 4.31Å; L498-V526 HydrophobicContact CD2-CG1 4.44Å; L498-L808 VanDerWaalsContact C-CD2 3.43Å; L498-L808 HydrophobicContact CB-CD1 3.96Å; L498-L808 HydrophobicContact CB-CD2 3.62Å; L498-L808 HydrophobicContact CB-CG 4.46Å; L498-L808 HydrophobicContact CD1-CD1 3.82Å
499E83.9Confident91.4Very high77 Ų7716.8 Ų16.836%0.369%0.091SC..G310 helixtrans-59.1-38176.1-165.9-165.7158.600111.7R496 K497 G501 L807 L808 K857R496-E499 WeakPolarHBondContact O-CB 3.4Å; R496-E499 PolarHBondContact O-N 2.93Å; R496-E499 VanDerWaalsContact O-N 3.15Å; K497-E499 PolarHBondContact O-N 2.95Å; K497-E499 VanDerWaalsContact O-N 3.1Å; E499-G501 VanDerWaalsContact C-N 3.34Å; E499-L807 HydrophobicContact CG-CD1 4.43Å; E499-L807 HydrophobicContact CG-CD2 4.47Å; E499-L807 HydrophobicContact CG-CG 4.27Å; E499-L808 HydrophobicContact CB-CD2 4.27Å; E499-L808 VanDerWaalsContact N-CD2 3.33Å; E499-K857 VanDerWaalsContact CD-NZ 3.26Å; E499-K857 WeakPolarHBondContact OE1-CE 3.33Å; E499-K857 IonicContact OE1-NZ 2.76Å; E499-K857 PolarHBondContact OE1-NZ 2.88Å; E499-K857 WeakPolarHBondContact OE2-CE 3.48Å; E499-K857 IonicContact OE2-NZ 3.63Å; E499-K857 PolarHBondContact OE2-NZ 3.43Å; E499-K857 VanDerWaalsContact OE2-NZ 3.09Å
500A81.4Confident91.4Very high29 Ų2916.8 Ų16.824%0.249%0.091CC..G310 helixtrans-901176.600000113.3K497 L498 R503K497-A500 PolarHBondContact O-N 2.99Å; K497-A500 VanDerWaalsContact O-N 3.08Å; L498-A500 VanDerWaalsContact C-N 3.26Å; L498-A500 PolarHBondContact O-N 3.15Å; A500-R503 PolarHBondContact O-NH1 2.83Å; A500-R503 VanDerWaalsContact O-NH1 3.1Å
501G87.3Confident91.5Very high0 Ų016.2 Ų16.20%09%0.087CC..  trans74.3170.7-167.800000113.9P331 K497 L498 E499P331-G501 CarbonylContact O-C 3.12Å; P331-G501 VanDerWaalsContact O-CA 3.24Å; P331-G501 WeakPolarHBondContact O-CA 3.34Å; K497-G501 PolarHBondContact O-N 3.42Å; L498-G501 PolarHBondContact O-N 3.06Å; E499-G501 VanDerWaalsContact C-N 3.34Å
502I91.9Very high91.4Very high2 Ų216.4 Ų16.41%0.019%0.088CC..  trans-105.436.7179.348.9160.8000111.4V330 P331 W332 L494 L498 G504 I505 V508 V530V330-I502 HydrophobicContact CG1-CG1 4.36Å; P331-I502 PolarHBondContact O-N 2.85Å; W332-I502 HydrophobicContact CB-CD1 4.43Å; W332-I502 HydrophobicContact CB-CG1 4.15Å; W332-I502 HydrophobicContact CG-CD1 4.41Å; W332-I502 HydrophobicContact CG-CG1 4.4Å; L494-I502 HydrophobicContact CD1-CG2 4.11Å; L498-I502 HydrophobicContact CD2-CG2 3.84Å; I502-G504 PolarHBondContact O-N 3.46Å; I502-I505 HydrophobicContact CB-CD1 4.09Å; I502-I505 HydrophobicContact CG2-CD1 4.11Å; I502-I505 PolarHBondContact O-N 2.74Å; I502-V508 HydrophobicContact CD1-CG2 4.39Å; I502-V530 HydrophobicContact CD1-CG1 4.11Å
503R90.4Very high91.6Very high6 Ų615.2 Ų15.22%0.0238%0.075CC..THydrogen-bonded Turntrans-61.3129.5178.1-70.3-176.7-174.175.6-4111.3T46 M48 W339 A500 I505T46-R503 PolarHBondContact O-NH2 2.84Å; M48-R503 PolarHBondContact SD-NH1 3.36Å; M48-R503 PolarHBondContact SD-NH2 2.92Å; W339-R503 HydrophobicContact CZ2-CB 4.13Å; W339-R503 PolarHBondContact NE1-O 2.94Å; A500-R503 PolarHBondContact O-NH1 2.83Å; A500-R503 VanDerWaalsContact O-NH1 3.1Å; R503-I505 VanDerWaalsContact C-N 3.34Å
504G92.3Very high91.4Very high1 Ų115.1 Ų15.11%0.017%0.073CC..THydrogen-bonded Turntrans79.313.1178.600000115.1S333 P341 N439 I502S333-G504 PolarHBondContact O-N 2.92Å; P341-G504 WeakPolarHBondContact CB-O 3.33Å; N439-G504 VanDerWaalsContact CB-O 3.24Å; N439-G504 WeakPolarHBondContact CB-O 3.42Å; N439-G504 PolarHBondContact ND2-O 3.31Å; I502-G504 PolarHBondContact O-N 3.46Å
505I96.4Very high90.9Very high0 Ų017.7 Ų17.70%09%0.085CC..  trans-100.8114.6167.6-59.8179.1000106.8W332 P341 W342 V441 I502 R503 H507 V508W332-I505 PolarHBondContact NE1-O 2.71Å; P341-I505 HydrophobicContact CB-CG1 4.15Å; W342-I505 HydrophobicContact CH2-CG1 4.37Å; W342-I505 HydrophobicContact CZ3-CD1 3.96Å; W342-I505 HydrophobicContact CZ3-CG1 3.97Å; V441-I505 HydrophobicContact CB-CD1 4.43Å; V441-I505 HydrophobicContact CB-CG2 4.32Å; V441-I505 HydrophobicContact CG1-CD1 4.3Å; V441-I505 HydrophobicContact CG1-CG2 3.84Å; I502-I505 HydrophobicContact CB-CD1 4.09Å; I502-I505 HydrophobicContact CG2-CD1 4.11Å; I502-I505 PolarHBondContact O-N 2.74Å; R503-I505 VanDerWaalsContact C-N 3.34Å; I505-H507 VanDerWaalsContact CG2-O 3.25Å; I505-H507 WeakPolarHBondContact CG2-O 3.44Å; I505-V508 HydrophobicContact CG2-CG2 4.06Å
506S96.8Very high90.7Very high13 Ų1318 Ų189%0.0919%0.085CC..  trans-83.6-30.9178.447.20000112.7E437 N439 R538E437-S506 WeakPolarHBondContact O-CB 3.13Å; E437-S506 PolarHBondContact O-OG 3.36Å; N439-S506 PolarHBondContact N-OG 3.24Å; N439-S506 PolarHBondContact O-N 2.83Å; N439-S506 PolarHBondContact O-OG 3.31Å; S506-R538 PolarHBondContact O-N 2.91Å; S506-R538 VanDerWaalsContact O-N 3.15Å
507H98.4Very high90.9Very high6 Ų615.1 Ų15.13%0.0288%0.077CC..EExtended strand (participates in β ladder)trans-128.4131.9-178-5876000112I425 F429 N439 I440 V441 I505 R538I425-H507 WeakPolarHBondContact CG2-NE2 3.46Å; F429-H507 AromaticContact CE2-CE1 3.86Å; F429-H507 AromaticContact CZ-CE1 3.87Å; N439-H507 PolarHBondContact O-N 3.12Å; I440-H507 WeakPolarHBondContact CA-O 3.5Å; I440-H507 HydrophobicContact CB-CB 4.42Å; I440-H507 HydrophobicContact CG1-CB 4.11Å; I440-H507 HydrophobicContact CG2-CB 4.17Å; V441-H507 PolarHBondContact N-O 2.9Å; I505-H507 VanDerWaalsContact CG2-O 3.25Å; I505-H507 WeakPolarHBondContact CG2-O 3.44Å; H507-R538 CarbonylContact C-O 3.59Å; H507-R538 VanDerWaalsContact CA-O 3.32Å; H507-R538 WeakPolarHBondContact CA-O 3.25Å; H507-R538 VanDerWaalsContact CD2-CB 3.41Å; H507-R538 WeakPolarHBondContact CD2-CB 3.27Å
508V98.4Very high91Very high1 Ų114.5 Ų14.51%0.0068%0.075CC..EExtended strand (participates in β ladder)trans-115.7112.3171.1-177.80000108.5V441 L494 I502 I505 V510 L527 R538 I539 V540V441-V508 HydrophobicContact CG1-CB 4.11Å; V441-V508 HydrophobicContact CG1-CG1 3.94Å; V441-V508 HydrophobicContact CG1-CG2 3.88Å; L494-V508 HydrophobicContact CD2-CG1 4.03Å; I502-V508 HydrophobicContact CD1-CG2 4.39Å; I505-V508 HydrophobicContact CG2-CG2 4.06Å; V508-V510 HydrophobicContact CG1-CG2 4.38Å; V508-L527 HydrophobicContact CG1-CD1 3.8Å; V508-L527 HydrophobicContact CG1-CD2 4.12Å; V508-L527 HydrophobicContact CG2-CD2 4.49Å; V508-R538 PolarHBondContact N-O 3.01Å; V508-I539 HydrophobicContact CB-CD1 3.77Å; V508-I539 HydrophobicContact CG2-CD1 4.16Å; V508-I539 WeakPolarHBondContact O-CA 3.39Å; V508-V540 PolarHBondContact O-N 2.97Å
509I98.5Very high91.2Very high0 Ų017 Ų170%09%0.088CC..EExtended strand (participates in β ladder)trans-101.9120.7178-51.4-170.5000108.1V421 P422 I425 I440 V441 V442 T443 V540 M542V421-I509 HydrophobicContact CG1-CD1 4.34Å; P422-I509 HydrophobicContact CB-CD1 4.28Å; P422-I509 HydrophobicContact CG-CD1 4.01Å; I425-I509 HydrophobicContact CD1-CD1 4Å; I440-I509 HydrophobicContact CG2-CD1 3.67Å; I440-I509 HydrophobicContact CG2-CG1 3.93Å; V441-I509 PolarHBondContact O-N 3.48Å; V442-I509 CarbonylContact C-O 3.57Å; V442-I509 WeakPolarHBondContact CA-O 3.3Å; V442-I509 HydrophobicContact CB-CB 4.37Å; V442-I509 HydrophobicContact CG1-CB 4.11Å; V442-I509 HydrophobicContact CG1-CG2 4.08Å; V442-I509 HydrophobicContact CG2-CB 4.14Å; V442-I509 HydrophobicContact CG2-CD1 4.22Å; V442-I509 HydrophobicContact CG2-CG1 4.42Å; T443-I509 PolarHBondContact N-O 3.48Å; I509-V540 CarbonylContact C-O 3.58Å; I509-V540 VanDerWaalsContact CA-O 3.3Å; I509-V540 WeakPolarHBondContact CA-O 3.12Å; I509-V540 HydrophobicContact CB-CB 4.39Å; I509-V540 HydrophobicContact CG1-CB 4.02Å; I509-V540 HydrophobicContact CG1-CG2 4.26Å; I509-V540 HydrophobicContact CG2-CB 4.19Å; I509-V540 HydrophobicContact CG2-CG1 4.47Å; I509-M542 HydrophobicContact CG2-CE 3.49Å; I509-M542 VanDerWaalsContact CG2-CE 3.49Å; I509-M542 HydrophobicContact CG2-CG 4.06Å; I509-M542 HydrophobicContact CG2-SD 3.88Å
510V97.6Very high91.6Very high0 Ų013.4 Ų13.40%07%0.072CC..EExtended strand (participates in β ladder)trans-105.1107.9173.8-168.50000108T443 V508 I513 T520 L523 L524 L527 V540 L541 M542T443-V510 WeakPolarHBondContact OG1-CA 3.45Å; V508-V510 HydrophobicContact CG1-CG2 4.38Å; V510-I513 HydrophobicContact CB-CG2 4.13Å; V510-I513 HydrophobicContact CG1-CG2 3.82Å; V510-I513 WeakPolarHBondContact O-CG2 3.28Å; V510-T520 HydrophobicContact CG1-CG2 4.09Å; V510-L523 HydrophobicContact CG1-CD2 4.37Å; V510-L523 HydrophobicContact CG2-CD2 3.97Å; V510-L524 HydrophobicContact CB-CD2 4.48Å; V510-L524 HydrophobicContact CG1-CD2 4.31Å; V510-L524 HydrophobicContact CG2-CD2 4.3Å; V510-L527 HydrophobicContact CG2-CD1 3.58Å; V510-V540 PolarHBondContact N-O 3.3Å; V510-L541 HydrophobicContact CB-CD2 3.92Å; V510-L541 HydrophobicContact CG2-CD2 4.05Å; V510-M542 PolarHBondContact O-N 3.32Å
511D95Very high92.2Very high2 Ų212 Ų121%0.0116%0.06CC..  trans-94.6160.5-179-158.38.4000112.4T418 T443 Q444 I513 M542T418-D511 VanDerWaalsContact CB-OD2 3.27Å; T418-D511 WeakPolarHBondContact CB-OD2 3.35Å; T418-D511 WeakPolarHBondContact CG2-OD2 3.34Å; T418-D511 PolarHBondContact OG1-OD2 3.08Å; T443-D511 WeakPolarHBondContact O-CB 3.46Å; T443-D511 PolarHBondContact O-N 3.07Å; Q444-D511 PolarHBondContact NE2-OD2 3.32Å; D511-I513 PolarHBondContact O-N 2.81Å; D511-M542 HydrophobicContact CB-CE 3.79Å; D511-M542 WeakPolarHBondContact OD1-CB 3.29Å; D511-M542 WeakPolarHBondContact OD1-CE 3.29Å
512E90.4Very high92.5Very high10 Ų1012.3 Ų12.35%0.0476%0.061CC..  trans52.736.1178.4-45.7-76.5-143.200113.4P445 H514 E515 M542 T718 S719P445-E512 HydrophobicContact CG-CB 3.99Å; P445-E512 HydrophobicContact CG-CG 4.2Å; E512-H514 PolarHBondContact O-N 3.39Å; E512-H514 IonicContact OE2-CE1 2.76Å; E512-H514 PolarHBondContact OE2-CE1 2.68Å; E512-H514 IonicContact OE2-NE2 2.69Å; E512-E515 HydrophobicContact CB-CG 4.37Å; E512-E515 PolarHBondContact O-N 3.45Å; E512-M542 PolarHBondContact N-O 3.04Å; E512-T718 WeakPolarHBondContact OE1-CB 3.05Å; E512-S719 WeakPolarHBondContact OE1-CA 3.19Å; E512-S719 WeakPolarHBondContact OE1-CB 3.11Å; E512-S719 PolarHBondContact OE1-N 3.09Å; E512-S719 PolarHBondContact OE1-OG 3.34Å
513I91.6Very high92.7Very high0 Ų012.2 Ų12.20%06%0.061CC..G310 helixtrans-54.4-23.8-174.165.3-174.3000114.6V510 D511 E515 R516 L541 M542 F551V510-I513 HydrophobicContact CB-CG2 4.13Å; V510-I513 HydrophobicContact CG1-CG2 3.82Å; V510-I513 WeakPolarHBondContact O-CG2 3.28Å; D511-I513 PolarHBondContact O-N 2.81Å; I513-E515 PolarHBondContact O-N 2.89Å; I513-R516 PolarHBondContact O-N 3.49Å; I513-L541 HydrophobicContact CD1-CB 3.98Å; I513-L541 HydrophobicContact CG2-CB 4.41Å; I513-M542 PolarHBondContact N-O 2.87Å; I513-F551 HydrophobicContact CB-CE1 4.01Å; I513-F551 HydrophobicContact CB-CZ 4.02Å; I513-F551 HydrophobicContact CD1-CB 4.47Å; I513-F551 HydrophobicContact CD1-CD1 3.97Å; I513-F551 HydrophobicContact CD1-CD2 3.88Å; I513-F551 HydrophobicContact CD1-CE1 4.09Å; I513-F551 HydrophobicContact CD1-CE2 4.01Å; I513-F551 HydrophobicContact CD1-CG 3.85Å; I513-F551 HydrophobicContact CD1-CZ 4.11Å; I513-F551 HydrophobicContact CG1-CD1 4.48Å; I513-F551 HydrophobicContact CG1-CD2 4.35Å; I513-F551 HydrophobicContact CG1-CE1 4.1Å; I513-F551 HydrophobicContact CG1-CE2 3.96Å; I513-F551 HydrophobicContact CG1-CZ 3.81Å; I513-F551 WeakPolarHBondContact O-CZ 2.85Å
514H85.9Confident93Very high22 Ų2211.9 Ų11.910%0.1026%0.06CC..G310 helixtrans-71.8-917956.6-98.9000114.4E512 R516 S543 A544 T545 Q760E512-H514 PolarHBondContact O-N 3.39Å; E512-H514 IonicContact OE2-CE1 2.76Å; E512-H514 PolarHBondContact OE2-CE1 2.68Å; E512-H514 IonicContact OE2-NE2 2.69Å; H514-R516 PolarHBondContact O-N 3.23Å; H514-S543 PolarHBondContact ND1-OG 3.01Å; H514-A544 PolarHBondContact ND1-N 3.11Å; H514-T545 HydrophobicContact CB-CG2 3.44Å; H514-T545 VanDerWaalsContact CB-CG2 3.44Å; H514-Q760 PolarHBondContact CD2-NE2 2.95Å; H514-Q760 PolarHBondContact NE2-NE2 3.22Å
515E82.7Confident93.1Very high55 Ų5511.9 Ų11.926%0.2576%0.06SC..G310 helixtrans-71.2-20.3174.9-70.6-160.2-140.900113.1P445 R446 E512 I513 D517 T718P445-E515 VanDerWaalsContact CG-OE1 3.23Å; P445-E515 WeakPolarHBondContact CG-OE1 3.31Å; R446-E515 IonicContact CZ-OE1 3.21Å; R446-E515 IonicContact CZ-OE2 3.4Å; R446-E515 IonicContact NH1-OE1 2.66Å; R446-E515 PolarHBondContact NH1-OE1 3.17Å; R446-E515 IonicContact NH1-OE2 2.66Å; R446-E515 PolarHBondContact NH1-OE2 2.99Å; R446-E515 IonicContact NH2-OE1 2.8Å; R446-E515 IonicContact NH2-OE2 3.22Å; R446-E515 PolarHBondContact NH2-OE2 3.47Å; E512-E515 HydrophobicContact CB-CG 4.37Å; E512-E515 PolarHBondContact O-N 3.45Å; I513-E515 PolarHBondContact O-N 2.89Å; E515-D517 PolarHBondContact O-N 2.92Å; E515-D517 VanDerWaalsContact O-N 3.16Å; E515-T718 HydrophobicContact CG-CG2 4.37Å; E515-T718 VanDerWaalsContact OE1-CB 3.22Å; E515-T718 WeakPolarHBondContact OE1-CB 3.37Å; E515-T718 VanDerWaalsContact OE1-CG2 3.24Å; E515-T718 WeakPolarHBondContact OE1-CG2 3.26Å; E515-T718 PolarHBondContact OE1-OG1 3Å
516R86.8Confident93.1Very high25 Ų2512 Ų129%0.0946%0.06CC..  trans51.537.7176.6-53.5-58.4-59-70.1-11.2113.5I513 H514 D521 M550 P791 E792 E822I513-R516 PolarHBondContact O-N 3.49Å; H514-R516 PolarHBondContact O-N 3.23Å; R516-D521 IonicContact CZ-OD1 2.83Å; R516-D521 IonicContact CZ-OD2 3.44Å; R516-D521 IonicContact NE-OD1 3.62Å; R516-D521 PolarHBondContact NE-OD1 3.08Å; R516-D521 IonicContact NE-OD2 3.22Å; R516-D521 PolarHBondContact NE-OD2 3.45Å; R516-D521 IonicContact NH2-OD1 3.65Å; R516-D521 IonicContact NH2-OD2 3.32Å; R516-D521 PolarHBondContact NH2-OD2 2.97Å; R516-M550 PolarHBondContact NH1-SD 2.71Å; R516-P791 HydrophobicContact CB-CB 3.97Å; R516-P791 HydrophobicContact CB-CG 4.28Å; R516-E792 PolarHBondContact O-N 2.71Å; R516-E822 IonicContact CZ-OE2 2.58Å; R516-E822 IonicContact NH1-OE2 2.75Å; R516-E822 PolarHBondContact NH1-OE2 2.82Å; R516-E822 IonicContact NH2-OE2 3.75Å; R516-E822 PolarHBondContact NH2-OE2 3.06Å
517D88Confident93Very high39 Ų3911.4 Ų11.421%0.2096%0.056CC..  trans-61.4144167.7-179.2-75.3000109.7E515 N519 T520 D521E515-D517 PolarHBondContact O-N 2.92Å; E515-D517 VanDerWaalsContact O-N 3.16Å; D517-N519 PolarHBondContact O-N 2.87Å; D517-N519 WeakPolarHBondContact OD1-CA 3.41Å; D517-N519 VanDerWaalsContact OD1-CB 3.23Å; D517-N519 WeakPolarHBondContact OD1-CB 3.37Å; D517-N519 PolarHBondContact OD1-N 3.01Å; D517-N519 PolarHBondContact OD1-ND2 2.8Å; D517-T520 WeakPolarHBondContact O-CB 3.33Å; D517-T520 PolarHBondContact O-N 2.84Å; D517-D521 PolarHBondContact O-N 2.79Å
518I89.4Confident92.8Very high14 Ų1413.1 Ų13.17%0.0726%0.062CC..Hα-helixtrans-62.1-31.8-174-155.7-178.3000112.9F522 E792 M793 T796 L798 I801I518-F522 VanDerWaalsContact O-CB 3.27Å; I518-F522 WeakPolarHBondContact O-CB 3.07Å; I518-F522 PolarHBondContact O-N 3.21Å; I518-F522 VanDerWaalsContact O-N 3.13Å; I518-E792 HydrophobicContact CB-CB 4.15Å; I518-E792 HydrophobicContact CB-CG 4.21Å; I518-M793 HydrophobicContact CD1-CB 4.34Å; I518-M793 HydrophobicContact CD1-CG 4.26Å; I518-M793 HydrophobicContact CG1-CB 3.82Å; I518-M793 HydrophobicContact CG1-CG 3.95Å; I518-T796 HydrophobicContact CD1-CG2 4.48Å; I518-L798 HydrophobicContact CD1-CD2 3.92Å; I518-I801 HydrophobicContact CB-CD1 4.26Å; I518-I801 HydrophobicContact CD1-CD1 3.48Å; I518-I801 VanDerWaalsContact CD1-CD1 3.48Å; I518-I801 HydrophobicContact CG1-CD1 3.4Å; I518-I801 VanDerWaalsContact CG1-CD1 3.4Å; I518-I801 HydrophobicContact CG2-CD1 4.18Å
519N91.5Very high92.6Very high54 Ų5413.8 Ų13.829%0.2897%0.066SC..Hα-helixtrans-75-33.5176.3-56.4-85000111.5V491 L495 D517 L523V491-N519 HydrophobicContact CB-CB 4.14Å; V491-N519 HydrophobicContact CG1-CB 3.72Å; V491-N519 WeakPolarHBondContact CG1-O 3.49Å; L495-N519 HydrophobicContact CD1-CB 3.82Å; D517-N519 PolarHBondContact O-N 2.87Å; D517-N519 WeakPolarHBondContact OD1-CA 3.41Å; D517-N519 VanDerWaalsContact OD1-CB 3.23Å; D517-N519 WeakPolarHBondContact OD1-CB 3.37Å; D517-N519 PolarHBondContact OD1-N 3.01Å; D517-N519 PolarHBondContact OD1-ND2 2.8Å; N519-L523 VanDerWaalsContact O-CB 3.32Å; N519-L523 WeakPolarHBondContact O-CB 3.32Å; N519-L523 PolarHBondContact O-N 2.92Å
520T93.3Very high92.4Very high3 Ų313.9 Ų13.92%0.0187%0.066CC..Hα-helixtrans-68.7-52.4176.9-60.30000110.1V510 D517 F522 L523 L524V510-T520 HydrophobicContact CG1-CG2 4.09Å; D517-T520 WeakPolarHBondContact O-CB 3.33Å; D517-T520 PolarHBondContact O-N 2.84Å; T520-F522 VanDerWaalsContact C-N 3.25Å; T520-F522 PolarHBondContact O-N 2.93Å; T520-L523 PolarHBondContact O-N 3.3Å; T520-L523 VanDerWaalsContact O-N 3.12Å; T520-L524 HydrophobicContact CG2-CD1 4.26Å; T520-L524 WeakPolarHBondContact O-CG 3.3Å; T520-L524 PolarHBondContact O-N 2.97Å
521D93.7Very high92.2Very high0 Ų014.4 Ų14.40%07%0.069CC..Hα-helixtrans-57.6-40.6176.5-85.929.9000110.8R516 D517 L524 V525R516-D521 IonicContact CZ-OD1 2.83Å; R516-D521 IonicContact CZ-OD2 3.44Å; R516-D521 IonicContact NE-OD1 3.62Å; R516-D521 PolarHBondContact NE-OD1 3.08Å; R516-D521 IonicContact NE-OD2 3.22Å; R516-D521 PolarHBondContact NE-OD2 3.45Å; R516-D521 IonicContact NH2-OD1 3.65Å; R516-D521 IonicContact NH2-OD2 3.32Å; R516-D521 PolarHBondContact NH2-OD2 2.97Å; D517-D521 PolarHBondContact O-N 2.79Å; D521-L524 PolarHBondContact O-N 2.81Å; D521-V525 WeakPolarHBondContact O-CG2 3.45Å; D521-V525 PolarHBondContact O-N 3.34Å
522F94.5Very high92.1Very high5 Ų519.9 Ų19.92%0.02210%0.095CC..Hα-helixtrans-61.5-47.9173.3179.5-100.9000113.3L495 I518 T520 L524 V525 V526 I801 I805 L808 L810 F816L495-F522 HydrophobicContact CD1-CD1 3.69Å; L495-F522 HydrophobicContact CD1-CE1 4.28Å; L495-F522 HydrophobicContact CD2-CD1 3.6Å; L495-F522 HydrophobicContact CD2-CE1 3.87Å; L495-F522 HydrophobicContact CG-CD1 4.28Å; I518-F522 VanDerWaalsContact O-CB 3.27Å; I518-F522 WeakPolarHBondContact O-CB 3.07Å; I518-F522 PolarHBondContact O-N 3.21Å; I518-F522 VanDerWaalsContact O-N 3.13Å; T520-F522 VanDerWaalsContact C-N 3.25Å; T520-F522 PolarHBondContact O-N 2.93Å; F522-L524 VanDerWaalsContact C-N 3.28Å; F522-L524 PolarHBondContact O-N 3.44Å; F522-V525 PolarHBondContact O-N 2.94Å; F522-V526 HydrophobicContact CE1-CG2 4.06Å; F522-V526 HydrophobicContact CZ-CG2 4.16Å; F522-V526 PolarHBondContact O-N 3.16Å; F522-I801 HydrophobicContact CB-CD1 4.43Å; F522-I801 HydrophobicContact CD2-CG2 3.51Å; F522-I801 HydrophobicContact CE2-CG2 3.8Å; F522-I801 HydrophobicContact CG-CG2 4.26Å; F522-I805 HydrophobicContact CE2-CD1 4.25Å; F522-I805 HydrophobicContact CE2-CG1 3.53Å; F522-I805 HydrophobicContact CZ-CG1 4.14Å; F522-L808 HydrophobicContact CE1-CD1 4.19Å; F522-L808 HydrophobicContact CZ-CD1 4.25Å; F522-L810 HydrophobicContact CZ-CD1 3.99Å; F522-F816 HydrophobicContact CD2-CD1 4.36Å; F522-F816 AromaticContact CD2-CE1 3.56Å; F522-F816 HydrophobicContact CD2-CE1 3.56Å; F522-F816 HydrophobicContact CD2-CZ 4.33Å; F522-F816 AromaticContact CE2-CD1 3.94Å; F522-F816 HydrophobicContact CE2-CD1 3.94Å; F522-F816 AromaticContact CE2-CE1 3.26Å; F522-F816 HydrophobicContact CE2-CE1 3.26Å; F522-F816 AromaticContact CE2-CZ 3.87Å; F522-F816 HydrophobicContact CE2-CZ 3.87Å; F522-F816 HydrophobicContact CZ-CE1 4.2Å; F522-F816 HydrophobicContact CZ-CZ 4.4Å
523L95.6Very high92.1Very high0 Ų021.3 Ų21.30%011%0.108CC..Hα-helixtrans-58.1-41176.9176.763.1000111.2T443 V491 L494 L495 L498 V510 N519 T520 V525 V526 L527T443-L523 HydrophobicContact CG2-CD2 3.96Å; V491-L523 HydrophobicContact CG1-CB 4.15Å; V491-L523 HydrophobicContact CG1-CD2 3.98Å; L494-L523 HydrophobicContact CD2-CD1 3.98Å; L494-L523 HydrophobicContact CD2-CD2 3.96Å; L494-L523 HydrophobicContact CG-CD1 4.41Å; L495-L523 HydrophobicContact CD2-CB 3.98Å; L495-L523 HydrophobicContact CD2-CD1 4Å; L498-L523 HydrophobicContact CD1-CD1 4.46Å; V510-L523 HydrophobicContact CG1-CD2 4.37Å; V510-L523 HydrophobicContact CG2-CD2 3.97Å; N519-L523 VanDerWaalsContact O-CB 3.32Å; N519-L523 WeakPolarHBondContact O-CB 3.32Å; N519-L523 PolarHBondContact O-N 2.92Å; T520-L523 PolarHBondContact O-N 3.3Å; T520-L523 VanDerWaalsContact O-N 3.12Å; L523-V525 VanDerWaalsContact C-N 3.31Å; L523-V525 PolarHBondContact O-N 3.32Å; L523-V526 PolarHBondContact O-N 3.43Å; L523-V526 VanDerWaalsContact O-N 3.15Å; L523-L527 HydrophobicContact CD1-CD1 3.99Å; L523-L527 HydrophobicContact CD1-CD2 4.22Å; L523-L527 HydrophobicContact CD1-CG 3.84Å; L523-L527 HydrophobicContact CD2-CD1 4.22Å; L523-L527 HydrophobicContact CG-CD1 3.78Å; L523-L527 HydrophobicContact CG-CG 4.05Å; L523-L527 WeakPolarHBondContact O-CG 3.47Å; L523-L527 PolarHBondContact O-N 3.48Å
524L95.9Very high92.2Very high0 Ų022.8 Ų22.80%011%0.114CC..Hα-helixtrans-64.1-33.9-179.8-65.9175.7000112.3V510 T520 D521 F522 R528 L541 F551 F555 I821V510-L524 HydrophobicContact CB-CD2 4.48Å; V510-L524 HydrophobicContact CG1-CD2 4.31Å; V510-L524 HydrophobicContact CG2-CD2 4.3Å; T520-L524 HydrophobicContact CG2-CD1 4.26Å; T520-L524 WeakPolarHBondContact O-CG 3.3Å; T520-L524 PolarHBondContact O-N 2.97Å; D521-L524 PolarHBondContact O-N 2.81Å; F522-L524 VanDerWaalsContact C-N 3.28Å; F522-L524 PolarHBondContact O-N 3.44Å; L524-R528 WeakPolarHBondContact O-CB 3.46Å; L524-R528 PolarHBondContact O-N 3.42Å; L524-L541 HydrophobicContact CD2-CD2 3.57Å; L524-F551 HydrophobicContact CD1-CD1 4.13Å; L524-F551 HydrophobicContact CD1-CE1 3.8Å; L524-F555 HydrophobicContact CB-CE2 4.26Å; L524-F555 HydrophobicContact CB-CZ 4.08Å; L524-F555 HydrophobicContact CD2-CE2 3.96Å; L524-F555 HydrophobicContact CD2-CZ 3.91Å; L524-F555 WeakPolarHBondContact O-CZ 3.3Å; L524-I821 HydrophobicContact CB-CD1 4.46Å; L524-I821 HydrophobicContact CD1-CD1 3.67Å
525V95.4Very high92.5Very high1 Ų125.6 Ų25.61%0.00614%0.135CC..Hα-helixtrans-62.5-48.4171-170.50000111.1D521 F522 L523 L527 R528 D529 Y554 F816 K819 A820D521-V525 WeakPolarHBondContact O-CG2 3.45Å; D521-V525 PolarHBondContact O-N 3.34Å; F522-V525 PolarHBondContact O-N 2.94Å; L523-V525 VanDerWaalsContact C-N 3.31Å; L523-V525 PolarHBondContact O-N 3.32Å; V525-L527 PolarHBondContact O-N 2.97Å; V525-R528 PolarHBondContact O-N 3.04Å; V525-D529 PolarHBondContact O-N 3.22Å; V525-Y554 WeakPolarHBondContact CA-OH 3.4Å; V525-F816 HydrophobicContact CB-CE1 3.73Å; V525-F816 HydrophobicContact CB-CE2 4.29Å; V525-F816 HydrophobicContact CB-CZ 3.49Å; V525-F816 VanDerWaalsContact CB-CZ 3.49Å; V525-F816 HydrophobicContact CG1-CD1 4.28Å; V525-F816 HydrophobicContact CG1-CD2 4.25Å; V525-F816 HydrophobicContact CG1-CE1 3.65Å; V525-F816 HydrophobicContact CG1-CE2 3.62Å; V525-F816 HydrophobicContact CG1-CZ 3.3Å; V525-F816 HydrophobicContact CG2-CE1 4.23Å; V525-F816 HydrophobicContact CG2-CZ 4.46Å; V525-K819 HydrophobicContact CG1-CB 3.75Å; V525-A820 HydrophobicContact CG2-CB 3.93Å
526V95Very high92.9Very high1 Ų129.1 Ų29.11%0.00615%0.151CC..Hα-helixtrans-61-47.5179.7-179.20000110.9V330 L498 F522 L523 R528 D529 V530 L810 F816V330-V526 HydrophobicContact CB-CG1 4.25Å; V330-V526 HydrophobicContact CG2-CG1 3.52Å; L498-V526 HydrophobicContact CD1-CB 4.45Å; L498-V526 HydrophobicContact CD1-CG1 4.02Å; L498-V526 HydrophobicContact CD1-CG2 4.31Å; L498-V526 HydrophobicContact CD2-CG1 4.44Å; F522-V526 HydrophobicContact CE1-CG2 4.06Å; F522-V526 HydrophobicContact CZ-CG2 4.16Å; F522-V526 PolarHBondContact O-N 3.16Å; L523-V526 PolarHBondContact O-N 3.43Å; L523-V526 VanDerWaalsContact O-N 3.15Å; V526-R528 VanDerWaalsContact C-N 3.28Å; V526-R528 PolarHBondContact O-N 2.95Å; V526-D529 PolarHBondContact O-N 3.47Å; V526-V530 HydrophobicContact CG1-CG2 4.14Å; V526-V530 WeakPolarHBondContact O-CB 3.49Å; V526-V530 VanDerWaalsContact O-CG2 3.28Å; V526-V530 WeakPolarHBondContact O-CG2 3.28Å; V526-V530 PolarHBondContact O-N 3.16Å; V526-L810 HydrophobicContact CG2-CD1 3.81Å; V526-F816 HydrophobicContact CG2-CE2 4.42Å; V526-F816 HydrophobicContact CG2-CZ 3.77Å
527L95.6Very high93.3Very high2 Ų227.9 Ų27.91%0.0115%0.146CC..Hα-helixtrans-64.6-32.8-179.3-66.4-180000112V508 V510 L523 V525 V530 V531 I539V508-L527 HydrophobicContact CG1-CD1 3.8Å; V508-L527 HydrophobicContact CG1-CD2 4.12Å; V508-L527 HydrophobicContact CG2-CD2 4.49Å; V510-L527 HydrophobicContact CG2-CD1 3.58Å; L523-L527 HydrophobicContact CD1-CD1 3.99Å; L523-L527 HydrophobicContact CD1-CD2 4.22Å; L523-L527 HydrophobicContact CD1-CG 3.84Å; L523-L527 HydrophobicContact CD2-CD1 4.22Å; L523-L527 HydrophobicContact CG-CD1 3.78Å; L523-L527 HydrophobicContact CG-CG 4.05Å; L523-L527 WeakPolarHBondContact O-CG 3.47Å; L523-L527 PolarHBondContact O-N 3.48Å; V525-L527 PolarHBondContact O-N 2.97Å; L527-V530 PolarHBondContact O-N 3.4Å; L527-V531 WeakPolarHBondContact O-CB 3.47Å; L527-V531 VanDerWaalsContact O-CG2 3.32Å; L527-V531 WeakPolarHBondContact O-CG2 3.47Å; L527-V531 PolarHBondContact O-N 3.12Å; L527-I539 HydrophobicContact CB-CD1 4.43Å; L527-I539 HydrophobicContact CD1-CD1 4.38Å; L527-I539 HydrophobicContact CD1-CG2 4.17Å; L527-I539 HydrophobicContact CD2-CD1 4Å; L527-I539 HydrophobicContact CG-CD1 4.49Å
528R95.2Very high93.8Very high41 Ų4128.9 Ų28.916%0.15515%0.147CC..Hα-helixtrans-63.9-45.1174-163.2-171.374.1-171.35.5111.9L524 V525 V526 Q532 Y554 F555 F556 K819L524-R528 WeakPolarHBondContact O-CB 3.46Å; L524-R528 PolarHBondContact O-N 3.42Å; V525-R528 PolarHBondContact O-N 3.04Å; V526-R528 VanDerWaalsContact C-N 3.28Å; V526-R528 PolarHBondContact O-N 2.95Å; R528-Q532 WeakPolarHBondContact O-CG 3.39Å; R528-Q532 PolarHBondContact O-N 3.45Å; R528-Y554 HydrophobicContact CB-CE1 4.19Å; R528-Y554 WeakPolarHBondContact CD-O 3.47Å; R528-Y554 HydrophobicContact CG-CE1 4.37Å; R528-Y554 VanDerWaalsContact NH1-CZ 3.31Å; R528-Y554 PolarHBondContact NH1-OH 2.99Å; R528-F555 HydrophobicContact CB-CD1 4.26Å; R528-F555 HydrophobicContact CB-CE1 3.71Å; R528-F555 HydrophobicContact CB-CZ 4.31Å; R528-F555 HydrophobicContact CG-CD1 4.1Å; R528-F555 HydrophobicContact CG-CE1 4.07Å; R528-F556 HydrophobicContact CG-CE2 3.81Å; R528-F556 HydrophobicContact CG-CZ 3.53Å; R528-K819 PolarHBondContact NH1-O 3.39Å
529D93.5Very high94.2Very high16 Ų1628.3 Ų28.39%0.08614%0.144CC..Hα-helixtrans-65.2-40.8175.7-61.1-31.9000111.6V525 V526 Q532 A533 K819V525-D529 PolarHBondContact O-N 3.22Å; V526-D529 PolarHBondContact O-N 3.47Å; D529-Q532 PolarHBondContact O-N 3.47Å; D529-A533 PolarHBondContact O-N 2.92Å; D529-A533 VanDerWaalsContact O-N 3.08Å; D529-K819 IonicContact OD1-NZ 2.71Å; D529-K819 PolarHBondContact OD1-NZ 3.03Å; D529-K819 IonicContact OD2-NZ 3.22Å; D529-K819 PolarHBondContact OD2-NZ 2.98Å
530V93.8Very high94.5Very high1 Ų125.8 Ų25.81%0.00613%0.131CC..Hα-helixtrans-62.3-44177.9163.40000111.6V329 V330 I502 V526 L527 Q532 A533 Y534 V537V329-V530 HydrophobicContact CG1-CB 4.41Å; V329-V530 HydrophobicContact CG1-CG2 3.82Å; V330-V530 HydrophobicContact CB-CG2 3.94Å; I502-V530 HydrophobicContact CD1-CG1 4.11Å; V526-V530 HydrophobicContact CG1-CG2 4.14Å; V526-V530 WeakPolarHBondContact O-CB 3.49Å; V526-V530 VanDerWaalsContact O-CG2 3.28Å; V526-V530 WeakPolarHBondContact O-CG2 3.28Å; V526-V530 PolarHBondContact O-N 3.16Å; L527-V530 PolarHBondContact O-N 3.4Å; V530-Q532 VanDerWaalsContact C-N 3.34Å; V530-Q532 PolarHBondContact O-N 3.39Å; V530-A533 PolarHBondContact O-N 3.34Å; V530-Y534 HydrophobicContact CG1-CD2 4.33Å; V530-Y534 WeakPolarHBondContact O-CB 3.28Å; V530-Y534 PolarHBondContact O-N 2.84Å; V530-V537 HydrophobicContact CG1-CG1 4.11Å
531V94.2Very high94.7Very high11 Ų1125.6 Ų25.67%0.06713%0.13CC..Hα-helixtrans-63.8-38.8176.1166.10000111.7V406 L527 A533 Y534 V537 I539V406-V531 HydrophobicContact CG2-CG1 3.99Å; V406-V531 HydrophobicContact CG2-CG2 3.99Å; L527-V531 WeakPolarHBondContact O-CB 3.47Å; L527-V531 VanDerWaalsContact O-CG2 3.32Å; L527-V531 WeakPolarHBondContact O-CG2 3.47Å; L527-V531 PolarHBondContact O-N 3.12Å; V531-A533 VanDerWaalsContact C-N 3.31Å; V531-A533 PolarHBondContact O-N 3.48Å; V531-Y534 CarbonylContact O-C 3.5Å; V531-Y534 PolarHBondContact O-N 3.28Å; V531-V537 HydrophobicContact CG2-CG1 3.92Å; V531-I539 HydrophobicContact CG2-CB 4.49Å; V531-I539 HydrophobicContact CG2-CD1 4.21Å; V531-I539 HydrophobicContact CG2-CG1 3.35Å
532Q91.7Very high94.8Very high117 Ų11725.6 Ų25.655%0.54713%0.13SC..Hα-helixtrans-64.9-34.1175.9-73.8-174.2-36.600112.7R528 D529 V530 F556R528-Q532 WeakPolarHBondContact O-CG 3.39Å; R528-Q532 PolarHBondContact O-N 3.45Å; D529-Q532 PolarHBondContact O-N 3.47Å; V530-Q532 VanDerWaalsContact C-N 3.34Å; V530-Q532 PolarHBondContact O-N 3.39Å; Q532-F556 HydrophobicContact CG-CE2 3.97Å; Q532-F556 HydrophobicContact CG-CZ 3.67Å
533A91.6Very high94.6Very high40 Ų4025.4 Ų25.433%0.33113%0.129SC..Hα-helixtrans-83.3-31.9177.500000113.6V329 D529 V530 V531V329-A533 HydrophobicContact CB-CB 4.3Å; V329-A533 HydrophobicContact CG1-CB 3.83Å; V329-A533 HydrophobicContact CG2-CB 4.24Å; D529-A533 PolarHBondContact O-N 2.92Å; D529-A533 VanDerWaalsContact O-N 3.08Å; V530-A533 PolarHBondContact O-N 3.34Å; V531-A533 VanDerWaalsContact C-N 3.31Å; V531-A533 PolarHBondContact O-N 3.48Å
534Y93.4Very high93.9Very high31 Ų3126.4 Ų26.412%0.12214%0.137CC..  trans-135.977-172.5-52.7-71.8000111.3N44 V329 W332 V530 V531 E536 V537N44-Y534 PolarHBondContact O-OH 3.08Å; V329-Y534 HydrophobicContact CG1-CE2 4.14Å; W332-Y534 HydrophobicContact CB-CD2 3.78Å; W332-Y534 HydrophobicContact CB-CE2 4.07Å; W332-Y534 HydrophobicContact CB-CG 4.09Å; W332-Y534 HydrophobicContact CE3-CD1 4.03Å; W332-Y534 AromaticContact CE3-CG 3.9Å; W332-Y534 HydrophobicContact CE3-CG 3.9Å; V530-Y534 HydrophobicContact CG1-CD2 4.33Å; V530-Y534 WeakPolarHBondContact O-CB 3.28Å; V530-Y534 PolarHBondContact O-N 2.84Å; V531-Y534 CarbonylContact O-C 3.5Å; V531-Y534 PolarHBondContact O-N 3.28Å; Y534-E536 PolarHBondContact O-N 2.94Å; Y534-V537 VanDerWaalsContact O-CG1 3.26Å; Y534-V537 WeakPolarHBondContact O-CG1 3.46Å; Y534-V537 PolarHBondContact O-N 3.15Å; Y534-V537 VanDerWaalsContact O-N 3.17Å
535P91.3Very high92.7Very high82 Ų8226.8 Ų26.853%0.53214%0.14SC..THydrogen-bonded Turntrans-62.3-13.8-174.7-25.135.8000115.7S405S405-P535 WeakPolarHBondContact CB-O 3.43Å; S405-P535 PolarHBondContact OG-O 3.16Å
536E92.4Very high91Very high128 Ų12833.3 Ų33.360%0.59817%0.173SC*.THydrogen-bonded Turntrans-70.6-26.8177-69.8175-144.800113.7W332 Y534 R538W332-E536 HydrophobicContact CH2-CB 3.47Å; W332-E536 VanDerWaalsContact CH2-CB 3.47Å; W332-E536 HydrophobicContact CZ2-CB 4.45Å; W332-E536 HydrophobicContact CZ3-CB 3.82Å; Y534-E536 PolarHBondContact O-N 2.94Å; E536-R538 PolarHBondContact O-NE 3.1Å
537V94.9Very high90.1Very high0 Ų036.8 Ų36.80%019%0.191CC..SBendtrans-68.3141.1179.175.70000110.6W332 V530 V531 Y534 I539W332-V537 HydrophobicContact CD2-CB 4.17Å; W332-V537 HydrophobicContact CD2-CG2 4.48Å; W332-V537 HydrophobicContact CG-CG2 4.48Å; W332-V537 HydrophobicContact CZ2-CB 4.04Å; W332-V537 HydrophobicContact CZ2-CG2 4.37Å; V530-V537 HydrophobicContact CG1-CG1 4.11Å; V531-V537 HydrophobicContact CG2-CG1 3.92Å; Y534-V537 VanDerWaalsContact O-CG1 3.26Å; Y534-V537 WeakPolarHBondContact O-CG1 3.46Å; Y534-V537 PolarHBondContact O-N 3.15Å; Y534-V537 VanDerWaalsContact O-N 3.17Å; V537-I539 HydrophobicContact CG1-CD1 4.22Å; V537-I539 HydrophobicContact CG2-CD1 4.24Å
538R97.4Very high89.5Confident60 Ų6036.9 Ų36.923%0.22619%0.192CC..EExtended strand (participates in β ladder)trans-107.8116.6-177.4-53.7-52.9170.2136.55.6111I401 S402 N404 S506 H507 V508 E536I401-R538 HydrophobicContact CG2-CB 4.25Å; I401-R538 HydrophobicContact CG2-CG 4.44Å; I401-R538 WeakPolarHBondContact O-CD 3.26Å; I401-R538 PolarHBondContact O-NH1 2.84Å; S402-R538 VanDerWaalsContact C-NH1 3.3Å; S402-R538 PolarHBondContact O-NH1 2.96Å; S402-R538 PolarHBondContact O-NH2 3.3Å; N404-R538 WeakPolarHBondContact O-CD 3.46Å; N404-R538 PolarHBondContact O-NH1 3.2Å; S506-R538 PolarHBondContact O-N 2.91Å; S506-R538 VanDerWaalsContact O-N 3.15Å; H507-R538 CarbonylContact C-O 3.59Å; H507-R538 VanDerWaalsContact CA-O 3.32Å; H507-R538 WeakPolarHBondContact CA-O 3.25Å; H507-R538 VanDerWaalsContact CD2-CB 3.41Å; H507-R538 WeakPolarHBondContact CD2-CB 3.27Å; V508-R538 PolarHBondContact N-O 3.01Å; E536-R538 PolarHBondContact O-NE 3.1Å
539I98Very high89.1Confident2 Ų238 Ų381%0.0121%0.207CC..EExtended strand (participates in β ladder)trans-104.9124.7177.2-48.7-56.2000109.1S405 V406 V407 V508 L527 V531 V537 L541S405-I539 PolarHBondContact O-N 3Å; V406-I539 CarbonylContact C-O 3.57Å; V406-I539 VanDerWaalsContact CA-O 3.3Å; V406-I539 WeakPolarHBondContact CA-O 3.47Å; V406-I539 HydrophobicContact CG1-CB 4.34Å; V406-I539 HydrophobicContact CG2-CB 4.25Å; V407-I539 PolarHBondContact N-O 3.33Å; V508-I539 HydrophobicContact CB-CD1 3.77Å; V508-I539 HydrophobicContact CG2-CD1 4.16Å; V508-I539 WeakPolarHBondContact O-CA 3.39Å; L527-I539 HydrophobicContact CB-CD1 4.43Å; L527-I539 HydrophobicContact CD1-CD1 4.38Å; L527-I539 HydrophobicContact CD1-CG2 4.17Å; L527-I539 HydrophobicContact CD2-CD1 4Å; L527-I539 HydrophobicContact CG-CD1 4.49Å; V531-I539 HydrophobicContact CG2-CB 4.49Å; V531-I539 HydrophobicContact CG2-CD1 4.21Å; V531-I539 HydrophobicContact CG2-CG1 3.35Å; V537-I539 HydrophobicContact CG1-CD1 4.22Å; V537-I539 HydrophobicContact CG2-CD1 4.24Å; I539-L541 HydrophobicContact CG2-CD2 3.75Å; I539-L541 HydrophobicContact CG2-CG 4.28Å
540V98.4Very high88.8Confident0 Ų040.5 Ų40.50%022%0.218CC..EExtended strand (participates in β ladder)trans-116119.4175.5-172.40000108.7I401 V407 I409 V421 V508 I509 V510 M542I401-V540 HydrophobicContact CD1-CG2 3.72Å; I401-V540 HydrophobicContact CG1-CG2 4.03Å; V407-V540 WeakPolarHBondContact O-CA 3.18Å; I409-V540 HydrophobicContact CD1-CG1 3.52Å; I409-V540 HydrophobicContact CG1-CG1 3.87Å; V421-V540 HydrophobicContact CG1-CG1 4.47Å; V508-V540 PolarHBondContact O-N 2.97Å; I509-V540 CarbonylContact C-O 3.58Å; I509-V540 VanDerWaalsContact CA-O 3.3Å; I509-V540 WeakPolarHBondContact CA-O 3.12Å; I509-V540 HydrophobicContact CB-CB 4.39Å; I509-V540 HydrophobicContact CG1-CB 4.02Å; I509-V540 HydrophobicContact CG1-CG2 4.26Å; I509-V540 HydrophobicContact CG2-CB 4.19Å; I509-V540 HydrophobicContact CG2-CG1 4.47Å; V510-V540 PolarHBondContact N-O 3.3Å; V540-M542 HydrophobicContact CG1-CG 4.06Å
541L97.5Very high88.7Confident0 Ų040.9 Ų40.90%022%0.22CC..EExtended strand (participates in β ladder)trans-103.8117.4-179.9-55.7-178.8000108.6V406 V407 I408 I409 V510 I513 L524 I539 F555V406-L541 HydrophobicContact CG1-CD1 4.05Å; V406-L541 HydrophobicContact CG1-CG 4.27Å; V407-L541 PolarHBondContact O-N 3.01Å; I408-L541 CarbonylContact C-O 3.54Å; I408-L541 VanDerWaalsContact CA-O 3.31Å; I408-L541 WeakPolarHBondContact CA-O 3.33Å; I408-L541 HydrophobicContact CG1-CB 4.08Å; I408-L541 HydrophobicContact CG1-CD1 4.15Å; I409-L541 PolarHBondContact N-O 3.28Å; V510-L541 HydrophobicContact CB-CD2 3.92Å; V510-L541 HydrophobicContact CG2-CD2 4.05Å; I513-L541 HydrophobicContact CD1-CB 3.98Å; I513-L541 HydrophobicContact CG2-CB 4.41Å; L524-L541 HydrophobicContact CD2-CD2 3.57Å; I539-L541 HydrophobicContact CG2-CD2 3.75Å; I539-L541 HydrophobicContact CG2-CG 4.28Å; L541-F555 HydrophobicContact CD1-CD2 3.46Å; L541-F555 VanDerWaalsContact CD1-CD2 3.46Å; L541-F555 HydrophobicContact CD1-CE2 3.51Å; L541-F555 HydrophobicContact CD1-CG 4.21Å; L541-F555 HydrophobicContact CD1-CZ 4.27Å
542M95.1Very high88.7Confident0 Ų041.2 Ų41.20%022%0.223CC..EExtended strand (participates in β ladder)trans-109.3134.1-176.1-56.9-165.8-55.500111.5I409 K417 V421 I509 V510 D511 E512 I513 V540I409-M542 HydrophobicContact CB-CG 4.34Å; I409-M542 WeakPolarHBondContact O-CA 3.22Å; K417-M542 HydrophobicContact CB-SD 3.88Å; K417-M542 HydrophobicContact CD-CB 4.45Å; V421-M542 HydrophobicContact CB-SD 4.17Å; V421-M542 HydrophobicContact CG1-SD 4.37Å; V421-M542 HydrophobicContact CG2-SD 4.28Å; I509-M542 HydrophobicContact CG2-CE 3.49Å; I509-M542 VanDerWaalsContact CG2-CE 3.49Å; I509-M542 HydrophobicContact CG2-CG 4.06Å; I509-M542 HydrophobicContact CG2-SD 3.88Å; V510-M542 PolarHBondContact O-N 3.32Å; D511-M542 HydrophobicContact CB-CE 3.79Å; D511-M542 WeakPolarHBondContact OD1-CB 3.29Å; D511-M542 WeakPolarHBondContact OD1-CE 3.29Å; E512-M542 PolarHBondContact N-O 3.04Å; I513-M542 PolarHBondContact N-O 2.87Å; V540-M542 HydrophobicContact CG1-CG 4.06Å
543S89.8Confident88.7Confident0 Ų042.2 Ų42.20%023%0.227CC..EExtended strand (participates in β ladder)trans-139.5151.9177.6-164.50000113.7I409 G411 K417 H514 T545I409-S543 PolarHBondContact O-N 2.88Å; I409-S543 VanDerWaalsContact O-N 3.08Å; G411-S543 PolarHBondContact N-O 2.91Å; G411-S543 VanDerWaalsContact N-O 3.07Å; K417-S543 VanDerWaalsContact CE-O 3.25Å; K417-S543 WeakPolarHBondContact CE-O 3.36Å; K417-S543 PolarHBondContact NZ-O 2.89Å; H514-S543 PolarHBondContact ND1-OG 3.01Å; S543-T545 PolarHBondContact OG-N 3.15Å; S543-T545 PolarHBondContact OG-OG1 2.92Å
544A81.5Confident88.8Confident21 Ų2141.6 Ų41.617%0.17422%0.216CC..  trans-96.5-8.6169.400000113.9G411 T413 H514G411-A544 WeakPolarHBondContact O-CA 3.33Å; T413-A544 HydrophobicContact CG2-CB 3.87Å; H514-A544 PolarHBondContact ND1-N 3.11Å
545T72.1Confident88.8Confident9 Ų940.2 Ų40.26%0.05521%0.211CC..SBendtrans-84.1165.5-173.652.20000114.4R410 H514 S543 D547 T756R410-T545 WeakPolarHBondContact CD-O 3.46Å; R410-T545 WeakPolarHBondContact CG-O 3.36Å; R410-T545 PolarHBondContact NE-O 3.47Å; H514-T545 HydrophobicContact CB-CG2 3.44Å; H514-T545 VanDerWaalsContact CB-CG2 3.44Å; S543-T545 PolarHBondContact OG-N 3.15Å; S543-T545 PolarHBondContact OG-OG1 2.92Å; T545-D547 PolarHBondContact OG1-O 3.06Å; T545-D547 VanDerWaalsContact OG1-O 3.09Å; T545-T756 HydrophobicContact CG2-CG2 3.56Å
546I59.3Low88.9Confident138 Ų13841.2 Ų41.271%0.70821%0.207SC*.SBendtrans-80.4-43174-63.3177.6000111.3R410 T548R410-I546 VanDerWaalsContact CZ-O 3.31Å; R410-I546 PolarHBondContact NE-O 2.88Å; R410-I546 PolarHBondContact NH1-O 3.27Å; I546-T548 PolarHBondContact O-N 3.13Å
547D74.8Confident88.9Confident73 Ų7340.9 Ų40.939%0.3921%0.21SC..  trans-81.8117.7175.4-165.9-5.4000110.8T545 S549T545-D547 PolarHBondContact OG1-O 3.06Å; T545-D547 VanDerWaalsContact OG1-O 3.09Å; D547-S549 PolarHBondContact OD1-N 2.72Å; D547-S549 PolarHBondContact OD1-OG 3.11Å
548T84.1Confident88.8Confident5 Ų541.4 Ų41.43%0.03121%0.213CC..  trans-129.44.6169.451.80000112.2I408 R410 I546 M550 F551 C552I408-T548 HydrophobicContact CG2-CG2 4.16Å; R410-T548 HydrophobicContact CB-CG2 4.45Å; R410-T548 HydrophobicContact CG-CG2 4.26Å; I546-T548 PolarHBondContact O-N 3.13Å; T548-M550 VanDerWaalsContact C-N 3.34Å; T548-M550 PolarHBondContact O-N 3.34Å; T548-F551 PolarHBondContact O-N 3.31Å; T548-F551 VanDerWaalsContact O-N 3.16Å; T548-C552 PolarHBondContact O-N 3.26Å
549S86.3Confident88.8Confident65 Ų6540.6 Ų40.646%0.45522%0.216SC..Hα-helixtrans-62.2-43.3-173.6-54.10000111.2D547 F551 C552 E553D547-S549 PolarHBondContact OD1-N 2.72Å; D547-S549 PolarHBondContact OD1-OG 3.11Å; S549-F551 VanDerWaalsContact C-N 3.31Å; S549-F551 PolarHBondContact O-N 3.44Å; S549-C552 WeakPolarHBondContact O-CB 3.28Å; S549-C552 PolarHBondContact O-N 3.19Å; S549-C552 VanDerWaalsContact O-N 3.11Å; S549-E553 WeakPolarHBondContact O-CG 3.49Å; S549-E553 PolarHBondContact O-N 2.99Å
550M87.9Confident88.6Confident67 Ų6743.4 Ų43.433%0.3323%0.23SC..Hα-helixtrans-54.8-41.7175.4-177.6-172.1-73.100112.9R516 T548 Y554 I821 E822R516-M550 PolarHBondContact NH1-SD 2.71Å; T548-M550 VanDerWaalsContact C-N 3.34Å; T548-M550 PolarHBondContact O-N 3.34Å; M550-Y554 WeakPolarHBondContact O-CB 3.28Å; M550-Y554 PolarHBondContact O-N 3Å; M550-Y554 VanDerWaalsContact O-N 3.16Å; M550-I821 HydrophobicContact CG-CG2 3.46Å; M550-I821 VanDerWaalsContact CG-CG2 3.46Å; M550-I821 HydrophobicContact SD-CG2 3.4Å; M550-I821 WeakPolarHBondContact SD-CG2 3.45Å; M550-E822 HydrophobicContact CE-CG 4.48Å
551F91.8Very high88.5Confident9 Ų943.7 Ų43.74%0.03923%0.231CC..Hα-helixtrans-73.9-36.9177.8-63.9-80.7000111.9I408 I513 L524 T548 S549 Y554 F555 I821I408-F551 HydrophobicContact CD1-CB 3.89Å; I513-F551 HydrophobicContact CB-CE1 4.01Å; I513-F551 HydrophobicContact CB-CZ 4.02Å; I513-F551 HydrophobicContact CD1-CB 4.47Å; I513-F551 HydrophobicContact CD1-CD1 3.97Å; I513-F551 HydrophobicContact CD1-CD2 3.88Å; I513-F551 HydrophobicContact CD1-CE1 4.09Å; I513-F551 HydrophobicContact CD1-CE2 4.01Å; I513-F551 HydrophobicContact CD1-CG 3.85Å; I513-F551 HydrophobicContact CD1-CZ 4.11Å; I513-F551 HydrophobicContact CG1-CD1 4.48Å; I513-F551 HydrophobicContact CG1-CD2 4.35Å; I513-F551 HydrophobicContact CG1-CE1 4.1Å; I513-F551 HydrophobicContact CG1-CE2 3.96Å; I513-F551 HydrophobicContact CG1-CZ 3.81Å; I513-F551 WeakPolarHBondContact O-CZ 2.85Å; L524-F551 HydrophobicContact CD1-CD1 4.13Å; L524-F551 HydrophobicContact CD1-CE1 3.8Å; T548-F551 PolarHBondContact O-N 3.31Å; T548-F551 VanDerWaalsContact O-N 3.16Å; S549-F551 VanDerWaalsContact C-N 3.31Å; S549-F551 PolarHBondContact O-N 3.44Å; F551-Y554 PolarHBondContact O-N 2.78Å; F551-F555 PolarHBondContact O-N 2.94Å; F551-I821 HydrophobicContact CD1-CD1 3.76Å; F551-I821 HydrophobicContact CE1-CD1 3.6Å
552C92.6Very high88.2Confident19 Ų1946.3 Ų46.313%0.12824%0.244CC..Hα-helixtrans-61.8-52.8177.2-179.80000111.3I408 T548 S549 Y554 F555 F556 N557 C558 I560I408-C552 HydrophobicContact CD1-CB 3.92Å; T548-C552 PolarHBondContact O-N 3.26Å; S549-C552 WeakPolarHBondContact O-CB 3.28Å; S549-C552 PolarHBondContact O-N 3.19Å; S549-C552 VanDerWaalsContact O-N 3.11Å; C552-Y554 VanDerWaalsContact C-N 3.3Å; C552-Y554 PolarHBondContact O-N 3.48Å; C552-F555 CarbonylContact O-C 3.5Å; C552-F555 PolarHBondContact O-N 3.2Å; C552-F556 PolarHBondContact O-N 2.81Å; C552-N557 VanDerWaalsContact O-CA 3.27Å; C552-N557 WeakPolarHBondContact O-CA 3.37Å; C552-N557 PolarHBondContact O-N 3.25Å; C552-C558 PolarHBondContact SG-O 3.07Å; C552-I560 HydrophobicContact CB-CD1 3.97Å; C552-I560 HydrophobicContact CB-CG1 4.37Å
553E92Very high87.8Confident138 Ų13846.7 Ų46.765%0.64525%0.246SC*.Hα-helixtrans-57.7-42.6175.6-70.2175.5-162.800111.6S549 F555 F556S549-E553 WeakPolarHBondContact O-CG 3.49Å; S549-E553 PolarHBondContact O-N 2.99Å; E553-F555 PolarHBondContact O-N 3.47Å; E553-F556 PolarHBondContact O-N 3.31Å
554Y93.6Very high87.3Confident26 Ų2654 Ų5410%0.10228%0.275CS..Hα-helixtrans-64.5-35.1-179.7-173.9-96.1000113.7V525 R528 M550 F551 C552 K819 I821V525-Y554 WeakPolarHBondContact CA-OH 3.4Å; R528-Y554 HydrophobicContact CB-CE1 4.19Å; R528-Y554 WeakPolarHBondContact CD-O 3.47Å; R528-Y554 HydrophobicContact CG-CE1 4.37Å; R528-Y554 VanDerWaalsContact NH1-CZ 3.31Å; R528-Y554 PolarHBondContact NH1-OH 2.99Å; M550-Y554 WeakPolarHBondContact O-CB 3.28Å; M550-Y554 PolarHBondContact O-N 3Å; M550-Y554 VanDerWaalsContact O-N 3.16Å; F551-Y554 PolarHBondContact O-N 2.78Å; C552-Y554 VanDerWaalsContact C-N 3.3Å; C552-Y554 PolarHBondContact O-N 3.48Å; Y554-K819 WeakPolarHBondContact CE2-O 3.17Å; Y554-K819 VanDerWaalsContact CZ-O 3.32Å; Y554-K819 PolarHBondContact OH-O 3Å; Y554-I821 HydrophobicContact CD1-CD1 4.46Å; Y554-I821 HydrophobicContact CD1-CG1 3.9Å; Y554-I821 HydrophobicContact CD2-CB 4.23Å; Y554-I821 HydrophobicContact CD2-CG1 3.71Å; Y554-I821 HydrophobicContact CE1-CG1 3.95Å; Y554-I821 HydrophobicContact CE2-CB 4.31Å; Y554-I821 HydrophobicContact CE2-CG1 3.75Å; Y554-I821 HydrophobicContact CG-CG1 3.78Å
555F94.6Very high86.4Confident3 Ų354.8 Ų54.81%0.01329%0.285CS..THydrogen-bonded Turntrans-100.846.1175.2-74.7-81.1000112.3V406 L524 R528 L541 F551 C552 E553 N557 C558V406-F555 HydrophobicContact CB-CB 4.5Å; V406-F555 HydrophobicContact CG1-CB 3.99Å; V406-F555 HydrophobicContact CG1-CD1 4.12Å; V406-F555 HydrophobicContact CG1-CG 4.03Å; V406-F555 HydrophobicContact CG2-CD1 3.99Å; L524-F555 HydrophobicContact CB-CE2 4.26Å; L524-F555 HydrophobicContact CB-CZ 4.08Å; L524-F555 HydrophobicContact CD2-CE2 3.96Å; L524-F555 HydrophobicContact CD2-CZ 3.91Å; L524-F555 WeakPolarHBondContact O-CZ 3.3Å; R528-F555 HydrophobicContact CB-CD1 4.26Å; R528-F555 HydrophobicContact CB-CE1 3.71Å; R528-F555 HydrophobicContact CB-CZ 4.31Å; R528-F555 HydrophobicContact CG-CD1 4.1Å; R528-F555 HydrophobicContact CG-CE1 4.07Å; L541-F555 HydrophobicContact CD1-CD2 3.46Å; L541-F555 VanDerWaalsContact CD1-CD2 3.46Å; L541-F555 HydrophobicContact CD1-CE2 3.51Å; L541-F555 HydrophobicContact CD1-CG 4.21Å; L541-F555 HydrophobicContact CD1-CZ 4.27Å; F551-F555 PolarHBondContact O-N 2.94Å; C552-F555 CarbonylContact O-C 3.5Å; C552-F555 PolarHBondContact O-N 3.2Å; E553-F555 PolarHBondContact O-N 3.47Å; F555-N557 VanDerWaalsContact C-N 3.33Å; F555-N557 PolarHBondContact O-N 2.79Å; F555-C558 HydrophobicContact CB-CB 4.37Å; F555-C558 WeakPolarHBondContact O-CB 3.44Å; F555-C558 PolarHBondContact O-N 3.06Å
556F92.1Very high85.5Confident103 Ų10365.2 Ų65.245%0.45232%0.323SS..THydrogen-bonded Turntrans63.429.5167.4-39-66.3000115.5R528 Q532 C552 E553R528-F556 HydrophobicContact CG-CE2 3.81Å; R528-F556 HydrophobicContact CG-CZ 3.53Å; Q532-F556 HydrophobicContact CG-CE2 3.97Å; Q532-F556 HydrophobicContact CG-CZ 3.67Å; C552-F556 PolarHBondContact O-N 2.81Å; E553-F556 PolarHBondContact O-N 3.31Å
557N92.8Very high85.8Confident121 Ų12160.8 Ų60.865%0.64730%0.303SS*.THydrogen-bonded Turntrans64.144.3-173.7-49-68.5000113.4C552 F555C552-N557 VanDerWaalsContact O-CA 3.27Å; C552-N557 WeakPolarHBondContact O-CA 3.37Å; C552-N557 PolarHBondContact O-N 3.25Å; F555-N557 VanDerWaalsContact C-N 3.33Å; F555-N557 PolarHBondContact O-N 2.79Å
558C93.8Very high85.9Confident11 Ų1162.6 Ų62.67%0.07431%0.305CS..  trans-59.4151.9174.962.30000113.4V406 C552 F555V406-C558 HydrophobicContact CB-CB 3.91Å; V406-C558 HydrophobicContact CG1-CB 4.1Å; C552-C558 PolarHBondContact SG-O 3.07Å; F555-C558 HydrophobicContact CB-CB 4.37Å; F555-C558 WeakPolarHBondContact O-CB 3.44Å; F555-C558 PolarHBondContact O-N 3.06Å
559P96.1Very high86Confident42 Ų4266.5 Ų66.527%0.27333%0.33SS..  trans-63.4143.6-179.627.2-37.6000112.8N404 V406 V407 I408N404-P559 HydrophobicContact CB-CG 4.06Å; V406-P559 WeakPolarHBondContact O-CD 3.38Å; V407-P559 HydrophobicContact CG2-CG 4.15Å; I408-P559 PolarHBondContact N-O 2.73Å
560I95.2Very high86.1Confident62 Ų6264.6 Ų64.632%0.31832%0.316SS..EExtended strand (participates in β ladder)trans-111.7121.1173.2-55.6165.4000108.2I408 R410 C552 E562I408-I560 HydrophobicContact CB-CG1 4.11Å; I408-I560 HydrophobicContact CB-CG2 4.49Å; I408-I560 HydrophobicContact CD1-CG1 4.17Å; I408-I560 HydrophobicContact CG2-CG1 4.42Å; I408-I560 HydrophobicContact CG2-CG2 4.22Å; I408-I560 CarbonylContact O-C 3.59Å; I408-I560 WeakPolarHBondContact O-CA 3.44Å; R410-I560 HydrophobicContact CB-CG2 4.15Å; C552-I560 HydrophobicContact CB-CD1 3.97Å; C552-I560 HydrophobicContact CB-CG1 4.37Å; I560-E562 HydrophobicContact CG2-CG 4.21Å
561I94.9Very high86.4Confident5 Ų566.3 Ų66.33%0.02632%0.323CS..EExtended strand (participates in β ladder)trans-94.7123.4167.1-63.8178.7000108.3E396 I397 A400 V407 I408 R410 V563E396-I561 HydrophobicContact CG-CD1 4.14Å; E396-I561 HydrophobicContact CG-CG1 4.45Å; E396-I561 WeakPolarHBondContact O-CD1 3.46Å; I397-I561 VanDerWaalsContact CA-CD1 3.49Å; I397-I561 HydrophobicContact CB-CD1 4.23Å; I397-I561 HydrophobicContact CG1-CD1 3.76Å; I397-I561 HydrophobicContact CG1-CG2 4.08Å; A400-I561 HydrophobicContact CB-CD1 3.68Å; A400-I561 HydrophobicContact CB-CG1 4.43Å; V407-I561 HydrophobicContact CG1-CD1 4.22Å; V407-I561 HydrophobicContact CG1-CG1 4.37Å; I408-I561 PolarHBondContact O-N 2.69Å; R410-I561 PolarHBondContact N-O 3.16Å; I561-V563 HydrophobicContact CG2-CG2 4.28Å
562E91.9Very high86.6Confident55 Ų5569 Ų6926%0.25734%0.336SS..EExtended strand (participates in β ladder)trans-98.1103.8173.3-66.7-156-150.400110.6F393 R410 I560 Y564F393-E562 WeakPolarHBondContact CE1-O 3.28Å; R410-E562 HydrophobicContact CB-CG 4.47Å; R410-E562 IonicContact CZ-OE1 2.89Å; R410-E562 IonicContact CZ-OE2 3.29Å; R410-E562 IonicContact NE-OE2 2.77Å; R410-E562 IonicContact NH1-OE1 2.74Å; R410-E562 PolarHBondContact NH1-OE1 2.86Å; R410-E562 IonicContact NH1-OE2 2.6Å; R410-E562 PolarHBondContact NH1-OE2 3.27Å; R410-E562 IonicContact NH2-OE2 2.61Å; R410-E562 PolarHBondContact NH2-OE2 2.86Å; I560-E562 HydrophobicContact CG2-CG 4.21Å; E562-Y564 HydrophobicContact CB-CD2 4.22Å; E562-Y564 HydrophobicContact CB-CE1 3.89Å; E562-Y564 HydrophobicContact CB-CE2 3.53Å; E562-Y564 WeakPolarHBondContact CB-OH 3.48Å; E562-Y564 WeakPolarHBondContact O-CD2 3.43Å; E562-Y564 WeakPolarHBondContact O-CE2 3.32Å; E562-Y564 PolarHBondContact O-N 2.94Å; E562-Y564 PolarHBondContact OE2-OH 3.44Å
563V87.8Confident86.8Confident8 Ų869.5 Ų69.55%0.04834%0.335CS..  trans-75.389.6176.7179.50000109.2V390 F393 I397 I409 R410 C415 I561V390-V563 HydrophobicContact CB-CG1 3.94Å; V390-V563 HydrophobicContact CG2-CG1 4.1Å; V390-V563 HydrophobicContact CG2-CG2 4.15Å; F393-V563 HydrophobicContact CB-CG2 4.49Å; F393-V563 HydrophobicContact CD2-CB 4.42Å; F393-V563 HydrophobicContact CD2-CG1 3.89Å; F393-V563 HydrophobicContact CE2-CG1 4.2Å; F393-V563 HydrophobicContact CG-CG2 4.43Å; I397-V563 HydrophobicContact CD1-CG2 4.27Å; I409-V563 HydrophobicContact CG2-CG2 3.69Å; R410-V563 PolarHBondContact O-N 3.13Å; C415-V563 HydrophobicContact CB-CG1 4.29Å; I561-V563 HydrophobicContact CG2-CG2 4.28Å
564Y78.6Confident87Confident155 Ų15564.1 Ų64.161%0.60831%0.309SS*.  trans-83.8122175.9-53.4-76.4000111.8F393 E562F393-Y564 HydrophobicContact CE1-CD2 4.29Å; F393-Y564 WeakPolarHBondContact CE2-O 3.43Å; F393-Y564 HydrophobicContact CZ-CD2 4.23Å; F393-Y564 VanDerWaalsContact CZ-N 3.3Å; F393-Y564 WeakPolarHBondContact CZ-O 3.46Å; E562-Y564 HydrophobicContact CB-CD2 4.22Å; E562-Y564 HydrophobicContact CB-CE1 3.89Å; E562-Y564 HydrophobicContact CB-CE2 3.53Å; E562-Y564 WeakPolarHBondContact CB-OH 3.48Å; E562-Y564 WeakPolarHBondContact O-CD2 3.43Å; E562-Y564 WeakPolarHBondContact O-CE2 3.32Å; E562-Y564 PolarHBondContact O-N 2.94Å; E562-Y564 PolarHBondContact OE2-OH 3.44Å
565G62Low87.1Confident37 Ų3763.1 Ų63.138%0.38131%0.306SS..  trans-175.2157.4164.200000111.6T567G565-T567 PolarHBondContact O-N 3.05Å
566R54.1Low87.2Confident228 Ų22863.2 Ų63.286%0.8631%0.306SS*.  trans-67.8103.2177.3-75.5-177.6177.9173-0.8109.4
567T64.8Low87.4Confident45 Ų4559.5 Ų59.528%0.27629%0.291SS..PPolyproline II helixtrans-50.4146.5130.248.10000107.7A412 T413 G565A412-T567 HydrophobicContact CB-CG2 4.3Å; T413-T567 VanDerWaalsContact O-CG2 3.24Å; T413-T567 WeakPolarHBondContact O-CG2 3.23Å; G565-T567 PolarHBondContact O-N 3.05Å
568Y77.1Confident87.5Confident110 Ų11053.8 Ų53.843%0.43126%0.261SS..PPolyproline II helixtrans-62.1142.7-178.9-69.7-91.9000109.9V570 G766 V768 R769 P770Y568-V570 PolarHBondContact O-N 3.3Å; Y568-G766 PolarHBondContact N-O 3.13Å; Y568-G766 WeakPolarHBondContact O-CA 3.47Å; Y568-V768 VanDerWaalsContact CD2-C 3.45Å; Y568-V768 WeakPolarHBondContact CE2-O 3.35Å; Y568-R769 VanDerWaalsContact CB-O 3.23Å; Y568-R769 WeakPolarHBondContact CB-O 3.43Å; Y568-R769 VanDerWaalsContact CD2-N 3.31Å; Y568-P770 HydrophobicContact CD1-CG 4.06Å
569P85.2Confident87.6Confident88 Ų8853.4 Ų53.457%0.57126%0.258SS*.PPolyproline II helixtrans-58.4127.9-17523.3-33.3000110.3P770 G771P569-P770 HydrophobicContact CG-CB 4.25Å; P569-P770 HydrophobicContact CG-CG 4.33Å; P569-P770 WeakPolarHBondContact O-CA 3.35Å; P569-G771 PolarHBondContact O-N 3Å; P569-G771 VanDerWaalsContact O-N 3.14Å
570V89.2Confident87.6Confident25 Ų2554.9 Ų54.915%0.15226%0.261CS..EExtended strand (participates in β ladder)trans-102.7116.6171.7-1770000107.2Y568 K762 A765 G766 G771 C773Y568-V570 PolarHBondContact O-N 3.3Å; V570-K762 HydrophobicContact CB-CG 4.06Å; V570-K762 HydrophobicContact CG1-CG 3.79Å; V570-A765 HydrophobicContact CG1-CB 3.98Å; V570-A765 HydrophobicContact CG2-CB 4.09Å; V570-G766 VanDerWaalsContact CG2-N 3.34Å; V570-G771 CarbonylContact C-O 3.06Å; V570-G771 VanDerWaalsContact CA-O 3.31Å; V570-G771 WeakPolarHBondContact CA-O 3.34Å; V570-C773 HydrophobicContact CG1-CB 3.68Å
571Q94.5Very high87.6Confident102 Ų10253.9 Ų53.948%0.47726%0.256SS..EExtended strand (participates in β ladder)trans-77.4126.5173.9-175.71686.700109.2Y573 G771 F772 C773Q571-Y573 HydrophobicContact CB-CE2 4.49Å; Q571-Y573 HydrophobicContact CG-CE1 4.26Å; Q571-Y573 HydrophobicContact CG-CE2 3.96Å; Q571-Y573 PolarHBondContact NE2-OH 2.94Å; Q571-Y573 VanDerWaalsContact NE2-OH 3.16Å; Q571-Y573 PolarHBondContact OE1-OH 2.8Å; Q571-G771 PolarHBondContact N-O 3.27Å; Q571-F772 HydrophobicContact CB-CD1 3.98Å; Q571-F772 HydrophobicContact CB-CE1 4.42Å; Q571-F772 CarbonylContact O-C 3.58Å; Q571-F772 WeakPolarHBondContact O-CA 3.39Å; Q571-C773 PolarHBondContact O-N 2.78Å
572E94.8Very high87.6Confident66 Ų6654.9 Ų54.931%0.30826%0.262SS..EExtended strand (participates in β ladder)trans-101.1141.1-177.6-62.9-173.4-101.700111.5K762 C773 H775E572-K762 VanDerWaalsContact CD-NZ 3.35Å; E572-K762 HydrophobicContact CG-CD 4.06Å; E572-K762 HydrophobicContact CG-CG 4.3Å; E572-K762 WeakPolarHBondContact OE1-CE 3.28Å; E572-K762 IonicContact OE1-NZ 3.24Å; E572-K762 PolarHBondContact OE1-NZ 3.17Å; E572-K762 WeakPolarHBondContact OE2-CD 3.42Å; E572-K762 IonicContact OE2-NZ 2.63Å; E572-C773 WeakPolarHBondContact CA-O 3.15Å; E572-H775 IonicContact OE2-CD2 2.68Å; E572-H775 IonicContact OE2-CE1 3Å; E572-H775 IonicContact OE2-NE2 3.51Å; E572-H775 PolarHBondContact OE2-NE2 2.97Å
573Y97.1Very high87.6Confident29 Ų2959.6 Ų59.611%0.11428%0.284CS..EExtended strand (participates in β ladder)trans-134.5135.8176.4-60.3-73.6000108.9Q571 D577 M581 F772 C773 F774 H775Q571-Y573 HydrophobicContact CB-CE2 4.49Å; Q571-Y573 HydrophobicContact CG-CE1 4.26Å; Q571-Y573 HydrophobicContact CG-CE2 3.96Å; Q571-Y573 PolarHBondContact NE2-OH 2.94Å; Q571-Y573 VanDerWaalsContact NE2-OH 3.16Å; Q571-Y573 PolarHBondContact OE1-OH 2.8Å; Y573-D577 HydrophobicContact CD1-CB 3.89Å; Y573-D577 HydrophobicContact CG-CB 4.35Å; Y573-M581 HydrophobicContact CD1-CE 3.51Å; Y573-M581 HydrophobicContact CD1-SD 3.85Å; Y573-M581 HydrophobicContact CD2-CE 3.98Å; Y573-M581 HydrophobicContact CE1-CE 3.9Å; Y573-M581 HydrophobicContact CE1-SD 3.59Å; Y573-M581 VanDerWaalsContact CE1-SD 3.59Å; Y573-M581 HydrophobicContact CE2-CE 4.32Å; Y573-M581 HydrophobicContact CE2-SD 4.39Å; Y573-M581 HydrophobicContact CG-CE 3.52Å; Y573-M581 HydrophobicContact CG-SD 4.33Å; Y573-F772 AromaticContact CE2-CD1 3.95Å; Y573-F772 HydrophobicContact CE2-CD1 3.95Å; Y573-C773 PolarHBondContact N-O 2.83Å; Y573-F774 AromaticContact CD2-CD1 3.6Å; Y573-F774 HydrophobicContact CD2-CD1 3.6Å; Y573-F774 AromaticContact CD2-CE1 3.36Å; Y573-F774 HydrophobicContact CD2-CE1 3.36Å; Y573-F774 HydrophobicContact CD2-CZ 4.13Å; Y573-F774 HydrophobicContact CE2-CD1 4.43Å; Y573-F774 AromaticContact CE2-CE1 3.74Å; Y573-F774 HydrophobicContact CE2-CE1 3.74Å; Y573-F774 HydrophobicContact CE2-CZ 4.22Å; Y573-F774 HydrophobicContact CG-CD1 4.11Å; Y573-F774 HydrophobicContact CG-CE1 4.14Å; Y573-H775 PolarHBondContact O-N 2.86Å
574F96.8Very high87.9Confident25 Ų2560 Ų6011%0.1129%0.285CS..  trans-98.5-178.2175.1-69.7-87.1000110.9E576 D577 C578 H775 R779 F782F574-E576 VanDerWaalsContact C-N 3.26Å; F574-E576 WeakPolarHBondContact CB-OE2 3.49Å; F574-E576 PolarHBondContact O-N 3.48Å; F574-D577 PolarHBondContact N-OD2 3.08Å; F574-D577 WeakPolarHBondContact O-CB 3.38Å; F574-D577 PolarHBondContact O-N 3.14Å; F574-D577 VanDerWaalsContact O-N 3.16Å; F574-C578 PolarHBondContact O-N 2.91Å; F574-C578 PolarHBondContact O-SG 3.17Å; F574-H775 CarbonylContact C-O 3.56Å; F574-H775 HydrophobicContact CD1-CB 4.06Å; F574-H775 HydrophobicContact CE1-CB 4.32Å; F574-H775 AromaticContact CE1-CD2 3.88Å; F574-R779 HydrophobicContact CB-CG 3.67Å; F574-R779 HydrophobicContact CD1-CG 4.06Å; F574-R779 HydrophobicContact CD2-CG 3.58Å; F574-R779 HydrophobicContact CE2-CG 4.22Å; F574-R779 HydrophobicContact CG-CG 3.47Å; F574-R779 VanDerWaalsContact CG-CG 3.47Å; F574-F782 HydrophobicContact CD1-CB 4.24Å; F574-F782 HydrophobicContact CE1-CB 3.67Å; F574-F782 HydrophobicContact CE1-CD1 4.14Å; F574-F782 AromaticContact CE1-CD2 3.71Å; F574-F782 HydrophobicContact CE1-CD2 3.71Å; F574-F782 HydrophobicContact CE1-CE2 4.36Å; F574-F782 AromaticContact CE1-CG 3.56Å; F574-F782 HydrophobicContact CE1-CG 3.56Å; F574-F782 HydrophobicContact CZ-CD1 4.18Å; F574-F782 HydrophobicContact CZ-CD2 4.26Å; F574-F782 HydrophobicContact CZ-CE1 4.47Å; F574-F782 HydrophobicContact CZ-CG 4.06Å
575L96Very high88.5Confident5 Ų557.6 Ų57.63%0.02629%0.286CS..Hα-helixtrans-58.4-37.6-175.5-177.661.1000112.9C578 I579 N609 M624 L627 L636 H775 C777L575-C578 PolarHBondContact O-N 2.83Å; L575-I579 HydrophobicContact CD1-CD1 3.96Å; L575-I579 HydrophobicContact CD1-CG1 4.25Å; L575-I579 HydrophobicContact CG-CD1 3.86Å; L575-I579 WeakPolarHBondContact O-CD1 3.48Å; L575-I579 VanDerWaalsContact O-CG1 3.23Å; L575-I579 WeakPolarHBondContact O-CG1 3.42Å; L575-I579 PolarHBondContact O-N 3.32Å; L575-N609 WeakPolarHBondContact CD2-OD1 2.99Å; L575-M624 HydrophobicContact CB-SD 4.34Å; L575-M624 HydrophobicContact CD2-CG 3.89Å; L575-M624 HydrophobicContact CD2-SD 4.05Å; L575-M624 HydrophobicContact CG-CG 4.18Å; L575-M624 HydrophobicContact CG-SD 4.08Å; L575-L627 HydrophobicContact CD1-CD1 3.95Å; L575-L627 HydrophobicContact CD2-CD1 4.44Å; L575-L636 HydrophobicContact CD1-CD2 3.55Å; L575-H775 PolarHBondContact N-O 3.41Å; L575-C777 VanDerWaalsContact CB-C 3.42Å; L575-C777 WeakPolarHBondContact CB-O 3.44Å; L575-C777 PolarHBondContact N-O 2.84Å
576E95.6Very high89.7Confident5 Ų556.4 Ų56.42%0.02327%0.272CS..Hα-helixtrans-59.5-50.9175.9-52.879.9172.800110.7F574 I579 Q580 Y616 T620 M624 S778 R779F574-E576 VanDerWaalsContact C-N 3.26Å; F574-E576 WeakPolarHBondContact CB-OE2 3.49Å; F574-E576 PolarHBondContact O-N 3.48Å; E576-I579 PolarHBondContact O-N 2.65Å; E576-Q580 WeakPolarHBondContact O-CB 3.23Å; E576-Q580 PolarHBondContact O-N 3.25Å; E576-Q580 VanDerWaalsContact O-N 3.1Å; E576-Y616 HydrophobicContact CB-CD1 3.86Å; E576-Y616 HydrophobicContact CB-CD2 4.04Å; E576-Y616 HydrophobicContact CB-CE1 3.51Å; E576-Y616 HydrophobicContact CB-CE2 3.7Å; E576-Y616 HydrophobicContact CB-CG 4.11Å; E576-Y616 VanDerWaalsContact CB-CZ 3.43Å; E576-Y616 HydrophobicContact CG-CD2 4.29Å; E576-Y616 HydrophobicContact CG-CE2 3.97Å; E576-T620 WeakPolarHBondContact O-CG2 3.48Å; E576-M624 HydrophobicContact CG-CE 3.9Å; E576-M624 HydrophobicContact CG-SD 3.71Å; E576-S778 VanDerWaalsContact OE1-CA 3.28Å; E576-S778 WeakPolarHBondContact OE1-CA 3.41Å; E576-S778 VanDerWaalsContact OE1-CB 3.23Å; E576-S778 WeakPolarHBondContact OE1-CB 3.4Å; E576-R779 PolarHBondContact OE1-N 2.86Å; E576-R779 PolarHBondContact OE2-N 3.09Å
577D96.3Very high91Very high26 Ų2648.9 Ų48.914%0.13925%0.252CS..Hα-helixtrans-60.8-47.3178.2-58-70.7000110.4Y573 F574 I579 Q580 M581 Y616 R779Y573-D577 HydrophobicContact CD1-CB 3.89Å; Y573-D577 HydrophobicContact CG-CB 4.35Å; F574-D577 PolarHBondContact N-OD2 3.08Å; F574-D577 WeakPolarHBondContact O-CB 3.38Å; F574-D577 PolarHBondContact O-N 3.14Å; F574-D577 VanDerWaalsContact O-N 3.16Å; D577-I579 PolarHBondContact O-N 2.83Å; D577-Q580 PolarHBondContact O-N 2.98Å; D577-M581 HydrophobicContact CB-CE 4.15Å; D577-M581 WeakPolarHBondContact O-CB 3.28Å; D577-M581 WeakPolarHBondContact O-CE 3.46Å; D577-M581 VanDerWaalsContact O-CG 3.3Å; D577-M581 WeakPolarHBondContact O-CG 3.25Å; D577-M581 PolarHBondContact O-N 2.91Å; D577-Y616 PolarHBondContact OD1-OH 3.28Å; D577-R779 VanDerWaalsContact CG-NH2 3.29Å; D577-R779 IonicContact OD1-NH2 2.95Å; D577-R779 PolarHBondContact OD1-NH2 3.48Å; D577-R779 IonicContact OD2-CZ 2.73Å; D577-R779 IonicContact OD2-NE 3.48Å; D577-R779 IonicContact OD2-NH2 3.29Å; D577-R779 PolarHBondContact OD2-NH2 2.66Å
578C96.4Very high91.4Very high0 Ų052.8 Ų52.80%028%0.279CS..Hα-helixtrans-59.2-45.1-178.6-68.20000112.2F574 L575 T582 L640F574-C578 PolarHBondContact O-N 2.91Å; F574-C578 PolarHBondContact O-SG 3.17Å; L575-C578 PolarHBondContact O-N 2.83Å; C578-T582 WeakPolarHBondContact O-CB 3.48Å; C578-T582 WeakPolarHBondContact O-CG2 3.48Å; C578-T582 PolarHBondContact O-N 3.2Å; C578-T582 PolarHBondContact O-OG1 3.43Å; C578-L640 HydrophobicContact CB-CD1 4.37Å; C578-L640 HydrophobicContact CB-CD2 4.11Å
579I95.9Very high90.6Very high3 Ų354.6 Ų54.62%0.01529%0.289CS..Hα-helixtrans-65.4-43.8178.3-68.7164.6000110.6L575 E576 D577 T582 H583 F584 T620 M624 L627L575-I579 HydrophobicContact CD1-CD1 3.96Å; L575-I579 HydrophobicContact CD1-CG1 4.25Å; L575-I579 HydrophobicContact CG-CD1 3.86Å; L575-I579 WeakPolarHBondContact O-CD1 3.48Å; L575-I579 VanDerWaalsContact O-CG1 3.23Å; L575-I579 WeakPolarHBondContact O-CG1 3.42Å; L575-I579 PolarHBondContact O-N 3.32Å; E576-I579 PolarHBondContact O-N 2.65Å; D577-I579 PolarHBondContact O-N 2.83Å; I579-T582 PolarHBondContact O-N 3.15Å; I579-T582 PolarHBondContact O-OG1 3.21Å; I579-H583 WeakPolarHBondContact O-CA 3.29Å; I579-H583 PolarHBondContact O-N 2.92Å; I579-F584 PolarHBondContact O-N 3.23Å; I579-F584 VanDerWaalsContact O-N 3.11Å; I579-T620 HydrophobicContact CB-CG2 4.16Å; I579-T620 HydrophobicContact CG2-CG2 3.96Å; I579-M624 HydrophobicContact CD1-CB 3.6Å; I579-M624 HydrophobicContact CD1-CG 3.93Å; I579-L627 HydrophobicContact CD1-CD1 3.8Å; I579-L627 HydrophobicContact CG1-CD1 4.36Å
580Q95.3Very high89.3Confident73 Ų7356.8 Ų56.834%0.34130%0.296SS..Hα-helixtrans-67.5-42.4-178.4-169.1156.2-74.500112.4E576 D577 T582 H583 G617 T620E576-Q580 WeakPolarHBondContact O-CB 3.23Å; E576-Q580 PolarHBondContact O-N 3.25Å; E576-Q580 VanDerWaalsContact O-N 3.1Å; D577-Q580 PolarHBondContact O-N 2.98Å; Q580-T582 VanDerWaalsContact C-N 3.33Å; Q580-T582 PolarHBondContact O-N 2.72Å; Q580-H583 PolarHBondContact O-N 3.46Å; Q580-G617 VanDerWaalsContact OE1-N 3.16Å; Q580-T620 HydrophobicContact CB-CG2 3.91Å; Q580-T620 PolarHBondContact OE1-OG1 3.23Å
581M94.4Very high87.3Confident41 Ų4165 Ų6520%0.20233%0.329CS..Hα-helixtrans-66.4-32.8178.2-72-175.4-65.500113.4Y573 D577 Y643 F774Y573-M581 HydrophobicContact CD1-CE 3.51Å; Y573-M581 HydrophobicContact CD1-SD 3.85Å; Y573-M581 HydrophobicContact CD2-CE 3.98Å; Y573-M581 HydrophobicContact CE1-CE 3.9Å; Y573-M581 HydrophobicContact CE1-SD 3.59Å; Y573-M581 VanDerWaalsContact CE1-SD 3.59Å; Y573-M581 HydrophobicContact CE2-CE 4.32Å; Y573-M581 HydrophobicContact CE2-SD 4.39Å; Y573-M581 HydrophobicContact CG-CE 3.52Å; Y573-M581 HydrophobicContact CG-SD 4.33Å; D577-M581 HydrophobicContact CB-CE 4.15Å; D577-M581 WeakPolarHBondContact O-CB 3.28Å; D577-M581 WeakPolarHBondContact O-CE 3.46Å; D577-M581 VanDerWaalsContact O-CG 3.3Å; D577-M581 WeakPolarHBondContact O-CG 3.25Å; D577-M581 PolarHBondContact O-N 2.91Å; M581-Y643 HydrophobicContact CB-CD2 4.43Å; M581-Y643 HydrophobicContact CB-CE1 4.27Å; M581-Y643 HydrophobicContact CB-CE2 3.98Å; M581-Y643 HydrophobicContact SD-CE1 3.93Å; M581-F774 HydrophobicContact CE-CD1 4.13Å; M581-F774 HydrophobicContact CE-CE1 3.87Å
582T94.9Very high85.1Confident27 Ų2769.9 Ų69.917%0.16635%0.349CS..Hα-helixtrans-93.8-6.6-178.254.70000113.5C578 I579 Q580 F584 A639 L640 Y643C578-T582 WeakPolarHBondContact O-CB 3.48Å; C578-T582 WeakPolarHBondContact O-CG2 3.48Å; C578-T582 PolarHBondContact O-N 3.2Å; C578-T582 PolarHBondContact O-OG1 3.43Å; I579-T582 PolarHBondContact O-N 3.15Å; I579-T582 PolarHBondContact O-OG1 3.21Å; Q580-T582 VanDerWaalsContact C-N 3.33Å; Q580-T582 PolarHBondContact O-N 2.72Å; T582-F584 PolarHBondContact O-N 3.25Å; T582-F584 WeakPolarHBondContact OG1-CB 3.46Å; T582-A639 HydrophobicContact CG2-CB 4.15Å; T582-L640 HydrophobicContact CG2-CD2 3.83Å; T582-L640 HydrophobicContact CG2-CG 4.16Å; T582-Y643 HydrophobicContact CG2-CG 4.39Å
583H93.5Very high82.9Confident153 Ų15372.5 Ų72.571%0.70836%0.359SS*.THydrogen-bonded Turntrans47.538.4-166-60.4-74.7000112.5I579 Q580 V585I579-H583 WeakPolarHBondContact O-CA 3.29Å; I579-H583 PolarHBondContact O-N 2.92Å; Q580-H583 PolarHBondContact O-N 3.46Å; H583-V585 PolarHBondContact O-N 3.16Å
584F93.5Very high80.2Confident17 Ų1778.9 Ų78.98%0.07539%0.387CS..PPolyproline II helixtrans-72.3119-170.2176.8-96.6000112.2I579 T582 P586 S623 L627 E635 L636 A639I579-F584 PolarHBondContact O-N 3.23Å; I579-F584 VanDerWaalsContact O-N 3.11Å; T582-F584 PolarHBondContact O-N 3.25Å; T582-F584 WeakPolarHBondContact OG1-CB 3.46Å; F584-P586 HydrophobicContact CD1-CG 4.29Å; F584-P586 HydrophobicContact CE1-CB 4.11Å; F584-P586 HydrophobicContact CE1-CG 3.79Å; F584-S623 WeakPolarHBondContact O-CB 3.37Å; F584-S623 PolarHBondContact O-OG 3.49Å; F584-L627 HydrophobicContact CE1-CD1 4.42Å; F584-L627 HydrophobicContact CE1-CD2 4.03Å; F584-E635 HydrophobicContact CE2-CB 3.71Å; F584-E635 HydrophobicContact CZ-CB 3.97Å; F584-L636 HydrophobicContact CB-CD1 3.87Å; F584-L636 HydrophobicContact CD1-CB 4.44Å; F584-L636 HydrophobicContact CD1-CD1 4.05Å; F584-L636 HydrophobicContact CD2-CB 4.37Å; F584-L636 HydrophobicContact CD2-CD1 4.16Å; F584-L636 HydrophobicContact CE1-CB 4.24Å; F584-L636 HydrophobicContact CE2-CB 4.18Å; F584-L636 HydrophobicContact CG-CB 4.5Å; F584-L636 HydrophobicContact CG-CD1 3.76Å; F584-L636 HydrophobicContact CZ-CB 4.1Å; F584-A639 HydrophobicContact CD2-CB 4.02Å
585V90.8Very high77.5Confident105 Ų10583.4 Ų83.464%0.63641%0.413SS*.PPolyproline II helixtrans-104119.6169.7-178.20000108.5H583H583-V585 PolarHBondContact O-N 3.16Å
586P86.6Confident75.1Confident12 Ų1289.2 Ų89.28%0.07844%0.438CS..PPolyproline II helixtrans-58143.2177.2-23.532000112F584 S623 Q626 L627F584-P586 HydrophobicContact CD1-CG 4.29Å; F584-P586 HydrophobicContact CE1-CB 4.11Å; F584-P586 HydrophobicContact CE1-CG 3.79Å; P586-S623 WeakPolarHBondContact CG-O 3.03Å; P586-Q626 HydrophobicContact CB-CB 4.48Å; P586-Q626 HydrophobicContact CG-CB 4.04Å; P586-L627 HydrophobicContact CB-CD2 4.32Å; P586-L627 HydrophobicContact CG-CD2 4.07Å; P586-L627 HydrophobicContact CG-CG 4.06Å
587P81.8Confident72.5Confident69 Ų6994.5 Ų94.545%0.44847%0.466SS..PPolyproline II helixtrans-60146.317623.7-32.6000111.2K589 E635P587-K589 PolarHBondContact O-N 3.49Å; P587-E635 HydrophobicContact CG-CG 4.4Å
588P73.2Confident69.7Low128 Ų128100.4 Ų100.483%0.83150%0.498SS*.PPolyproline II helixtrans-56.4125.4-175.8-25.734.2000112.5D590P588-D590 PolarHBondContact O-N 2.96Å
589K61.3Low67Low148 Ų148108.3 Ų108.364%0.64354%0.54SS*.PPolyproline II helixtrans-61.4124.8178.4-68.6-176.5179.8178.70110.8P587 K591 Q626P587-K589 PolarHBondContact O-N 3.49Å; K589-K591 PolarHBondContact O-N 3.37Å; K589-K591 VanDerWaalsContact O-N 3.13Å; K589-Q626 WeakPolarHBondContact CE-O 3.34Å; K589-Q626 PolarHBondContact NZ-O 3.3Å
590D56.5Low64.2Low134 Ų134111.1 Ų111.172%0.71757%0.57SS**PPolyproline II helixtrans-52.2117.2170.7-101.8-33.8000110.6P588 K592 K593P588-D590 PolarHBondContact O-N 2.96Å; D590-K592 PolarHBondContact O-N 3.31Å; D590-K593 PolarHBondContact O-N 3.39Å
591K47.3Very low61.2Low197 Ų197111.3 Ų111.386%0.85759%0.592SS**G310 helixtrans-54.5-22.5-175.8-75.4-176.6176.1178.20113.8K589 K593 K594K589-K591 PolarHBondContact O-N 3.37Å; K589-K591 VanDerWaalsContact O-N 3.13Å; K591-K593 VanDerWaalsContact C-N 3.34Å; K591-K593 PolarHBondContact O-N 3.46Å; K591-K594 PolarHBondContact O-N 3.23Å
592K49.4Very low58.6Low204 Ų204118.5 Ų118.589%0.88763%0.625SS**G310 helixtrans-69.7-18.4176.7-76.2-179.2176.2173.20115.2D590D590-K592 PolarHBondContact O-N 3.31Å
593K47.7Very low55.8Low121 Ų121123 Ų12353%0.52665%0.648SS.*G310 helixtrans-80.2-18.6176.4-96.7-174.3169.7-172.30113.1D590 K591 D595 E631D590-K593 PolarHBondContact O-N 3.39Å; K591-K593 VanDerWaalsContact C-N 3.34Å; K591-K593 PolarHBondContact O-N 3.46Å; K593-D595 PolarHBondContact O-N 3.16Å; K593-E631 IonicContact NZ-OE1 2.88Å; K593-E631 PolarHBondContact NZ-OE1 2.96Å; K593-E631 IonicContact NZ-OE2 3.62Å
594K41.3Very low53.3Low163 Ų163123.1 Ų123.171%0.70965%0.653SS**G310 helixtrans-66.4-31.1-167.1-160.5-177.7178.4-169.40114.8K591 K596K591-K594 PolarHBondContact O-N 3.23Å; K594-K596 VanDerWaalsContact C-N 3.27Å; K594-K596 PolarHBondContact O-N 3.47Å
595D39.3Very low51.3Low120 Ų120125.6 Ų125.664%0.64267%0.668SS**G310 helixtrans-760.6-172.4-75.212.8000115.5K146 K593K146-D595 IonicContact NZ-OD2 3.69Å; K146-D595 PolarHBondContact NZ-OD2 3.32Å; K593-D595 PolarHBondContact O-N 3.16Å
596K45.6Very low50Low128 Ų128123.6 Ų123.656%0.55766%0.662SS**G310 helixtrans-122.3-14.8-166-119-168.5177.2-167.80116.8E153 K594E153-K596 IonicContact OE1-NZ 3.43Å; E153-K596 PolarHBondContact OE1-NZ 2.99Å; E153-K596 WeakPolarHBondContact OE2-CE 3.48Å; E153-K596 IonicContact OE2-NZ 3.71Å; E153-K596 PolarHBondContact OE2-NZ 3.09Å; K594-K596 VanDerWaalsContact C-N 3.27Å; K594-K596 PolarHBondContact O-N 3.47Å
597D42.3Very low49.7Very low116 Ų116125.7 Ų125.762%0.6267%0.673SS**SBendtrans-1072.7-169.5-63.5-19.4000112.9
598D37.6Very low50Low149 Ų149122.4 Ų122.480%0.79765%0.651SS**SBendtrans-114.511.8-163.5-140.518.9000114.8
599D39.3Very low50.7Low167 Ų167116.5 Ų116.589%0.89361%0.613SS**  trans-129.698.9177.4-163.210.9000109.9
600G36.2Very low51.9Low62 Ų62114.6 Ų114.664%0.63961%0.609SS**  trans-16918.5-158.200000120.3
601G32.8Very low53.4Low77 Ų77112 Ų11279%0.79459%0.594SS**  trans75.6142158.100000119.3D603G601-D603 PolarHBondContact O-N 2.93Å
602E38.8Very low55.3Low192 Ų192103.5 Ų103.590%0.89756%0.559SS**SBendtrans-68.8110.7168.7-63.2172.7141.900110.2
603D37.8Very low57Low121 Ų12195 Ų9565%0.64753%0.53SS*.SBendtrans166.4121.8130.1-90-15.8000114.4K235 G601K235-D603 PolarHBondContact NZ-O 3Å; K235-D603 VanDerWaalsContact NZ-O 3.12Å; G601-D603 PolarHBondContact O-N 2.93Å
604D39.9Very low58.7Low155 Ų15596.1 Ų96.183%0.82954%0.542SS*.SBendtrans81.320.2147-94.21.8000123.2
605D52.2Low61Low70 Ų7094.3 Ų94.337%0.37454%0.536SS..  trans-15088.5151.9-15323.3000112.5N607 R781 R784D605-N607 PolarHBondContact O-N 3.27Å; D605-R781 IonicContact OD1-NH1 3.67Å; D605-R781 PolarHBondContact OD1-NH1 3.28Å; D605-R781 IonicContact OD1-NH2 2.78Å; D605-R781 IonicContact OD2-CZ 2.94Å; D605-R781 IonicContact OD2-NH1 3.73Å; D605-R781 PolarHBondContact OD2-NH1 3.42Å; D605-R781 IonicContact OD2-NH2 2.67Å; D605-R781 PolarHBondContact OD2-NH2 2.92Å; D605-R784 IonicContact OD1-CZ 2.69Å; D605-R784 IonicContact OD1-NH1 3.98Å; D605-R784 PolarHBondContact OD1-NH1 2.95Å
606A64Low63.4Low63 Ų6389.5 Ų89.552%0.52151%0.509SS..  trans-61.8130.9170.500000110.2C608 R784A606-C608 PolarHBondContact O-N 3.26Å; A606-R784 PolarHBondContact O-NH1 2.71Å
607N80.4Confident65.4Low56 Ų5684.7 Ų84.730%0.29950%0.496SS..  trans-50108.7174.7178.520.4000110.1D605 N609 L610 E629D605-N607 PolarHBondContact O-N 3.27Å; N607-N609 PolarHBondContact O-N 3.4Å; N607-N609 WeakPolarHBondContact OD1-CB 3.48Å; N607-N609 PolarHBondContact OD1-N 2.81Å; N607-L610 HydrophobicContact CB-CD1 4.02Å; N607-L610 HydrophobicContact CB-CG 3.98Å; N607-L610 VanDerWaalsContact O-CB 3.3Å; N607-L610 WeakPolarHBondContact O-CB 3.46Å; N607-L610 WeakPolarHBondContact O-CG 3.46Å; N607-L610 PolarHBondContact O-N 3.26Å; N607-E629 PolarHBondContact OD1-OE1 2.71Å
608C86.4Confident67.6Low0 Ų084.4 Ų84.40%050%0.5CS..G310 helixtrans-67.4-22.5-175.4-63.90000111.9A606 L610 I611 E629 S778 A780 R781 R784A606-C608 PolarHBondContact O-N 3.26Å; C608-L610 PolarHBondContact O-N 3.45Å; C608-L610 VanDerWaalsContact O-N 3.12Å; C608-I611 WeakPolarHBondContact O-CA 3.39Å; C608-I611 WeakPolarHBondContact O-CB 3.38Å; C608-I611 PolarHBondContact O-N 3Å; C608-E629 VanDerWaalsContact CA-OE1 3.25Å; C608-E629 WeakPolarHBondContact CA-OE1 2.96Å; C608-E629 WeakPolarHBondContact CB-OE1 3.19Å; C608-E629 PolarHBondContact N-OE1 2.95Å; C608-S778 WeakPolarHBondContact CB-OG 3.47Å; C608-A780 HydrophobicContact CB-CB 3.87Å; C608-R781 HydrophobicContact CB-CB 3.83Å; C608-R784 VanDerWaalsContact SG-CZ 3.51Å; C608-R784 PolarHBondContact SG-NH1 3.46Å
609N88.8Confident70.1Confident4 Ų484.2 Ų84.22%0.02149%0.494CS..G310 helixtrans-63-9.7169.2-73.55.7000114.2L575 N607 M624 S625 L627 E629 S778L575-N609 WeakPolarHBondContact CD2-OD1 2.99Å; N607-N609 PolarHBondContact O-N 3.4Å; N607-N609 WeakPolarHBondContact OD1-CB 3.48Å; N607-N609 PolarHBondContact OD1-N 2.81Å; N609-M624 HydrophobicContact CB-CG 3.97Å; N609-M624 WeakPolarHBondContact O-CE 3.23Å; N609-S625 PolarHBondContact O-N 2.74Å; N609-L627 PolarHBondContact ND2-O 3.21Å; N609-L627 VanDerWaalsContact ND2-O 3.07Å; N609-E629 HydrophobicContact CB-CG 4.35Å; N609-E629 PolarHBondContact N-OE1 3.46Å; N609-E629 WeakPolarHBondContact OD1-CG 3.37Å; N609-S778 PolarHBondContact OD1-OG 2.86Å
610L87.1Confident72.6Confident107 Ų10776.7 Ų76.756%0.5646%0.455SS*.G310 helixtrans-86.3-15.2168.8-54.7179.7000112.8N607 C608N607-L610 HydrophobicContact CB-CD1 4.02Å; N607-L610 HydrophobicContact CB-CG 3.98Å; N607-L610 VanDerWaalsContact O-CB 3.3Å; N607-L610 WeakPolarHBondContact O-CB 3.46Å; N607-L610 WeakPolarHBondContact O-CG 3.46Å; N607-L610 PolarHBondContact O-N 3.26Å; C608-L610 PolarHBondContact O-N 3.45Å; C608-L610 VanDerWaalsContact O-N 3.12Å
611I87.8Confident75.2Confident79 Ų7978 Ų7841%0.40544%0.44SS..  trans-99.3101.4-177-53.4175.1000107.4C608 A780C608-I611 WeakPolarHBondContact O-CA 3.39Å; C608-I611 WeakPolarHBondContact O-CB 3.38Å; C608-I611 PolarHBondContact O-N 3Å; I611-A780 HydrophobicContact CB-CB 3.75Å; I611-A780 HydrophobicContact CD1-CB 4.32Å; I611-A780 HydrophobicContact CG2-CB 3.82Å
612C87.7Confident77.9Confident19 Ų1979 Ų7913%0.12843%0.427CS..  trans-130.8135.3-179.2-165.90000108.7R621 M624C612-R621 HydrophobicContact CB-CB 4.4Å; C612-R621 HydrophobicContact CB-CG 3.97Å; C612-R621 PolarHBondContact O-NH2 3.45Å; C612-M624 HydrophobicContact CB-CE 3.53Å
613G83.4Confident80.4Confident27 Ų2770.3 Ų70.328%0.27839%0.387SS..  trans-63.2159.8178.200000113.2E615 Y616 R621G613-E615 VanDerWaalsContact C-OE2 3.24Å; G613-E615 WeakPolarHBondContact CA-OE2 3.05Å; G613-E615 PolarHBondContact O-N 3.4Å; G613-Y616 PolarHBondContact O-N 3.19Å; G613-R621 VanDerWaalsContact C-NH2 3.33Å; G613-R621 PolarHBondContact O-NH2 2.95Å
614D84.2Confident83Confident143 Ų14364.5 Ų64.577%0.76536%0.356SS*.THydrogen-bonded Turntrans-76.4-6177.8-70.4-40.1000113.4Y616 R621D614-Y616 VanDerWaalsContact C-N 3.28Å; D614-Y616 PolarHBondContact O-N 3.41Å; D614-R621 VanDerWaalsContact CA-NH2 3.33Å; D614-R621 IonicContact OD1-CZ 3.68Å; D614-R621 IonicContact OD1-NH1 3.83Å; D614-R621 PolarHBondContact OD1-NH1 3.18Å; D614-R621 IonicContact OD1-NH2 2.79Å; D614-R621 PolarHBondContact OD1-NH2 3.35Å
615E88.9Confident85.3Confident125 Ų12559.1 Ų59.158%0.58433%0.331SS*.THydrogen-bonded Turntrans-73.9-11.7170.569.6-84.4-163.600114.5G613G613-E615 VanDerWaalsContact C-OE2 3.24Å; G613-E615 WeakPolarHBondContact CA-OE2 3.05Å; G613-E615 PolarHBondContact O-N 3.4Å
616Y90.8Very high87.1Confident19 Ų1958.9 Ų58.98%0.07533%0.327CS..SBendtrans-102.3146.1178.4-60.4-82.5000112.9E576 D577 G613 D614 T620 R779E576-Y616 HydrophobicContact CB-CD1 3.86Å; E576-Y616 HydrophobicContact CB-CD2 4.04Å; E576-Y616 HydrophobicContact CB-CE1 3.51Å; E576-Y616 HydrophobicContact CB-CE2 3.7Å; E576-Y616 HydrophobicContact CB-CG 4.11Å; E576-Y616 VanDerWaalsContact CB-CZ 3.43Å; E576-Y616 HydrophobicContact CG-CD2 4.29Å; E576-Y616 HydrophobicContact CG-CE2 3.97Å; D577-Y616 PolarHBondContact OD1-OH 3.28Å; G613-Y616 PolarHBondContact O-N 3.19Å; D614-Y616 VanDerWaalsContact C-N 3.28Å; D614-Y616 PolarHBondContact O-N 3.41Å; Y616-T620 HydrophobicContact CD1-CG2 4.24Å; Y616-T620 HydrophobicContact CG-CG2 4.48Å; Y616-R779 PolarHBondContact OH-NH1 3.38Å; Y616-R779 PolarHBondContact OH-NH2 3.12Å
617G87.9Confident88.2Confident27 Ų2756.9 Ų56.928%0.27831%0.308SS..  trans-62.8155.2179.700000113.8Q580 E619 T620 R621Q580-G617 VanDerWaalsContact OE1-N 3.16Å; G617-E619 PolarHBondContact O-N 3.04Å; G617-T620 WeakPolarHBondContact O-CB 3.34Å; G617-T620 PolarHBondContact O-N 2.83Å; G617-T620 VanDerWaalsContact O-N 3.1Å; G617-R621 PolarHBondContact O-N 2.81Å
618P88.3Confident88.3Confident110 Ų11056.8 Ų56.871%0.71431%0.307SS*.Hα-helixtrans-61.3-30.6-179.625.3-34.4000112.7L622P618-L622 VanDerWaalsContact O-CB 3.25Å; P618-L622 WeakPolarHBondContact O-CB 3.37Å; P618-L622 PolarHBondContact O-N 3.38Å
619E89.4Confident88.1Confident145 Ų14557.5 Ų57.568%0.67831%0.311SS*.Hα-helixtrans-68.3-40.5175.3-62.5-177.4166.800112.3G617 L622 S623G617-E619 PolarHBondContact O-N 3.04Å; E619-L622 PolarHBondContact O-N 2.79Å; E619-S623 VanDerWaalsContact O-CB 3.25Å; E619-S623 WeakPolarHBondContact O-CB 3.48Å; E619-S623 PolarHBondContact O-N 2.95Å; E619-S623 PolarHBondContact O-OG 3.2Å
620T92.6Very high87.3Confident10 Ų1061.3 Ų61.36%0.06133%0.327CS..Hα-helixtrans-61-49.7173.6-51.10000110.3E576 I579 Q580 Y616 G617 L622 S623 M624E576-T620 WeakPolarHBondContact O-CG2 3.48Å; I579-T620 HydrophobicContact CB-CG2 4.16Å; I579-T620 HydrophobicContact CG2-CG2 3.96Å; Q580-T620 HydrophobicContact CB-CG2 3.91Å; Q580-T620 PolarHBondContact OE1-OG1 3.23Å; Y616-T620 HydrophobicContact CD1-CG2 4.24Å; Y616-T620 HydrophobicContact CG-CG2 4.48Å; G617-T620 WeakPolarHBondContact O-CB 3.34Å; G617-T620 PolarHBondContact O-N 2.83Å; G617-T620 VanDerWaalsContact O-N 3.1Å; T620-L622 PolarHBondContact O-N 3.07Å; T620-S623 PolarHBondContact O-N 2.88Å; T620-M624 WeakPolarHBondContact O-CB 3.31Å; T620-M624 PolarHBondContact O-N 3.16Å
621R90.2Very high87Confident88 Ų8861 Ų6133%0.33232%0.323SS..Hα-helixtrans-60.5-45.2178.5-175.2178-62.4-176.1-3.3112C612 G613 D614 G617 S625C612-R621 HydrophobicContact CB-CB 4.4Å; C612-R621 HydrophobicContact CB-CG 3.97Å; C612-R621 PolarHBondContact O-NH2 3.45Å; G613-R621 VanDerWaalsContact C-NH2 3.33Å; G613-R621 PolarHBondContact O-NH2 2.95Å; D614-R621 VanDerWaalsContact CA-NH2 3.33Å; D614-R621 IonicContact OD1-CZ 3.68Å; D614-R621 IonicContact OD1-NH1 3.83Å; D614-R621 PolarHBondContact OD1-NH1 3.18Å; D614-R621 IonicContact OD1-NH2 2.79Å; D614-R621 PolarHBondContact OD1-NH2 3.35Å; G617-R621 PolarHBondContact O-N 2.81Å; R621-S625 WeakPolarHBondContact O-CB 3.14Å; R621-S625 PolarHBondContact O-N 3.41Å
622L90.1Very high86.8Confident99 Ų9958.2 Ų58.252%0.51831%0.309SS..Hα-helixtrans-61.8-47.7176.5179.962.6000111.2P618 E619 T620 S625 Q626P618-L622 VanDerWaalsContact O-CB 3.25Å; P618-L622 WeakPolarHBondContact O-CB 3.37Å; P618-L622 PolarHBondContact O-N 3.38Å; E619-L622 PolarHBondContact O-N 2.79Å; T620-L622 PolarHBondContact O-N 3.07Å; L622-S625 PolarHBondContact O-N 2.95Å; L622-S625 PolarHBondContact O-OG 2.98Å; L622-Q626 WeakPolarHBondContact O-CG 3.13Å; L622-Q626 PolarHBondContact O-N 3.14Å
623S91.3Very high86.8Confident9 Ų958.4 Ų58.46%0.06331%0.31CS..Hα-helixtrans-65.4-40.2-179.4-62.10000112.2F584 P586 E619 T620 Q626 L627F584-S623 WeakPolarHBondContact O-CB 3.37Å; F584-S623 PolarHBondContact O-OG 3.49Å; P586-S623 WeakPolarHBondContact CG-O 3.03Å; E619-S623 VanDerWaalsContact O-CB 3.25Å; E619-S623 WeakPolarHBondContact O-CB 3.48Å; E619-S623 PolarHBondContact O-N 2.95Å; E619-S623 PolarHBondContact O-OG 3.2Å; T620-S623 PolarHBondContact O-N 2.88Å; S623-Q626 PolarHBondContact O-N 2.89Å; S623-L627 PolarHBondContact O-N 3.08Å
624M91.8Very high87.2Confident0 Ų058.3 Ų58.30%030%0.302CS..Hα-helixtrans-64-44.9174.2-168.717072.200111.8L575 E576 I579 N609 C612 T620 Q626 L627L575-M624 HydrophobicContact CB-SD 4.34Å; L575-M624 HydrophobicContact CD2-CG 3.89Å; L575-M624 HydrophobicContact CD2-SD 4.05Å; L575-M624 HydrophobicContact CG-CG 4.18Å; L575-M624 HydrophobicContact CG-SD 4.08Å; E576-M624 HydrophobicContact CG-CE 3.9Å; E576-M624 HydrophobicContact CG-SD 3.71Å; I579-M624 HydrophobicContact CD1-CB 3.6Å; I579-M624 HydrophobicContact CD1-CG 3.93Å; N609-M624 HydrophobicContact CB-CG 3.97Å; N609-M624 WeakPolarHBondContact O-CE 3.23Å; C612-M624 HydrophobicContact CB-CE 3.53Å; T620-M624 WeakPolarHBondContact O-CB 3.31Å; T620-M624 PolarHBondContact O-N 3.16Å; M624-Q626 PolarHBondContact O-N 2.95Å; M624-Q626 VanDerWaalsContact O-N 3.11Å; M624-L627 WeakPolarHBondContact O-CB 3.32Å; M624-L627 PolarHBondContact O-N 3.12Å
625S88.8Confident87.7Confident41 Ų4155.6 Ų55.629%0.28729%0.285SS..Hα-helixtrans-60.5-24.5178.876.60000113.7N609 R621 L622N609-S625 PolarHBondContact O-N 2.74Å; R621-S625 WeakPolarHBondContact O-CB 3.14Å; R621-S625 PolarHBondContact O-N 3.41Å; L622-S625 PolarHBondContact O-N 2.95Å; L622-S625 PolarHBondContact O-OG 2.98Å
626Q88.9Confident88Confident65 Ų6549.6 Ų49.630%0.30426%0.257SS..Hα-helixtrans-80.5-25.6176.8-70.717633.300113P586 K589 L622 S623 M624P586-Q626 HydrophobicContact CB-CB 4.48Å; P586-Q626 HydrophobicContact CG-CB 4.04Å; K589-Q626 WeakPolarHBondContact CE-O 3.34Å; K589-Q626 PolarHBondContact NZ-O 3.3Å; L622-Q626 WeakPolarHBondContact O-CG 3.13Å; L622-Q626 PolarHBondContact O-N 3.14Å; S623-Q626 PolarHBondContact O-N 2.89Å; M624-Q626 PolarHBondContact O-N 2.95Å; M624-Q626 VanDerWaalsContact O-N 3.11Å
627L86.5Confident88.2Confident21 Ų2148.7 Ų48.711%0.1125%0.253CS..SBendtrans-71.9134178.8-75.7177.6000112.3L575 I579 F584 P586 N609 S623 M624 P633 L636L575-L627 HydrophobicContact CD1-CD1 3.95Å; L575-L627 HydrophobicContact CD2-CD1 4.44Å; I579-L627 HydrophobicContact CD1-CD1 3.8Å; I579-L627 HydrophobicContact CG1-CD1 4.36Å; F584-L627 HydrophobicContact CE1-CD1 4.42Å; F584-L627 HydrophobicContact CE1-CD2 4.03Å; P586-L627 HydrophobicContact CB-CD2 4.32Å; P586-L627 HydrophobicContact CG-CD2 4.07Å; P586-L627 HydrophobicContact CG-CG 4.06Å; N609-L627 PolarHBondContact ND2-O 3.21Å; N609-L627 VanDerWaalsContact ND2-O 3.07Å; S623-L627 PolarHBondContact O-N 3.08Å; M624-L627 WeakPolarHBondContact O-CB 3.32Å; M624-L627 PolarHBondContact O-N 3.12Å; L627-P633 HydrophobicContact CD2-CB 4.08Å; L627-L636 HydrophobicContact CD1-CD2 4.29Å
628N82.9Confident88.6Confident54 Ų5448.7 Ų48.729%0.28925%0.246SC..  trans-86.3112.9175-173.2-13.5000110.4K630 E631N628-K630 PolarHBondContact O-N 3.18Å; N628-K630 WeakPolarHBondContact OD1-CB 3.37Å; N628-K630 PolarHBondContact OD1-N 3.44Å; N628-E631 PolarHBondContact O-N 3.09Å
629E82.3Confident88.9Confident15 Ų1544.4 Ų44.47%0.0722%0.22CC..THydrogen-bonded Turntrans-47.7-25173.1-87.7-169-147.700114.9N607 C608 N609 K733 W752 R781N607-E629 PolarHBondContact OD1-OE1 2.71Å; C608-E629 VanDerWaalsContact CA-OE1 3.25Å; C608-E629 WeakPolarHBondContact CA-OE1 2.96Å; C608-E629 WeakPolarHBondContact CB-OE1 3.19Å; C608-E629 PolarHBondContact N-OE1 2.95Å; N609-E629 HydrophobicContact CB-CG 4.35Å; N609-E629 PolarHBondContact N-OE1 3.46Å; N609-E629 WeakPolarHBondContact OD1-CG 3.37Å; E629-K733 VanDerWaalsContact O-CE 3.25Å; E629-K733 WeakPolarHBondContact O-CE 3.46Å; E629-K733 PolarHBondContact O-NZ 3.32Å; E629-W752 HydrophobicContact CB-CH2 4.5Å; E629-W752 HydrophobicContact CB-CZ2 4.02Å; E629-W752 HydrophobicContact CG-CZ2 4.24Å; E629-R781 IonicContact OE1-NE 2.89Å; E629-R781 IonicContact OE1-NH2 2.96Å; E629-R781 IonicContact OE2-CZ 2.92Å; E629-R781 IonicContact OE2-NE 2.7Å; E629-R781 PolarHBondContact OE2-NE 2.81Å; E629-R781 IonicContact OE2-NH2 3.74Å; E629-R781 PolarHBondContact OE2-NH2 3.44Å
630K72.4Confident89.3Confident85 Ų8537.5 Ų37.537%0.3719%0.188SC..THydrogen-bonded Turntrans-88-30.3-173.4-63.8145.6-171.3171.10112.9P205 D206 N628 K733P205-K630 HydrophobicContact CB-CB 4.12Å; D206-K630 HydrophobicContact CB-CD 4.42Å; D206-K630 VanDerWaalsContact CG-CD 3.44Å; D206-K630 WeakPolarHBondContact OD1-CD 3.35Å; D206-K630 WeakPolarHBondContact OD1-CE 3.3Å; D206-K630 IonicContact OD1-NZ 3.7Å; D206-K630 PolarHBondContact OD1-NZ 3.44Å; D206-K630 WeakPolarHBondContact OD2-CD 3.34Å; D206-K630 WeakPolarHBondContact OD2-CE 3.43Å; D206-K630 IonicContact OD2-NZ 3.13Å; D206-K630 PolarHBondContact OD2-NZ 2.81Å; N628-K630 PolarHBondContact O-N 3.18Å; N628-K630 WeakPolarHBondContact OD1-CB 3.37Å; N628-K630 PolarHBondContact OD1-N 3.44Å; K630-K733 VanDerWaalsContact C-NZ 3.3Å; K630-K733 PolarHBondContact O-NZ 2.89Å
631E80.2Confident89.4Confident101 Ų10137.1 Ų37.147%0.47219%0.185SC..SBendtrans-83.9164.2174.7-67.3177.6159.700110K593 N628 K733K593-E631 IonicContact NZ-OE1 2.88Å; K593-E631 PolarHBondContact NZ-OE1 2.96Å; K593-E631 IonicContact NZ-OE2 3.62Å; N628-E631 PolarHBondContact O-N 3.09Å; E631-K733 PolarHBondContact O-NZ 3.13Å
632T84.7Confident89.7Confident20 Ų2037.1 Ų37.112%0.12319%0.188CC..  trans-104.8118.3172.5-62.40000106.9F634 I637 L657T632-F634 HydrophobicContact CG2-CD1 4.16Å; T632-F634 HydrophobicContact CG2-CE1 4.12Å; T632-F634 VanDerWaalsContact O-CD1 3.32Å; T632-F634 WeakPolarHBondContact O-CD1 3.39Å; T632-F634 PolarHBondContact O-N 3.42Å; T632-I637 HydrophobicContact CG2-CD1 3.88Å; T632-L657 HydrophobicContact CG2-CD2 3.96Å
633P88.2Confident89.9Confident22 Ų2234.9 Ų34.914%0.14317%0.173CC..  trans-77.795.3-172.130.8-34.9000110.7L627 E635 L636 I637L627-P633 HydrophobicContact CD2-CB 4.08Å; P633-E635 VanDerWaalsContact C-N 3.3Å; P633-E635 PolarHBondContact O-N 3.4Å; P633-L636 HydrophobicContact CB-CB 3.8Å; P633-L636 HydrophobicContact CG-CB 3.94Å; P633-L636 HydrophobicContact CG-CD2 3.96Å; P633-L636 PolarHBondContact O-N 3.06Å; P633-I637 PolarHBondContact O-N 2.73Å; P633-I637 VanDerWaalsContact O-N 3.11Å
634F91.4Very high90Very high26 Ų2634.9 Ų34.911%0.11417%0.172CC..Hα-helixtrans-65.1-36.4-177.4-76.49.4000111.8T632 L636 I637 E638 L662 T665 M666 H669T632-F634 HydrophobicContact CG2-CD1 4.16Å; T632-F634 HydrophobicContact CG2-CE1 4.12Å; T632-F634 VanDerWaalsContact O-CD1 3.32Å; T632-F634 WeakPolarHBondContact O-CD1 3.39Å; T632-F634 PolarHBondContact O-N 3.42Å; F634-L636 VanDerWaalsContact C-N 3.29Å; F634-L636 PolarHBondContact O-N 3.15Å; F634-I637 PolarHBondContact O-N 2.86Å; F634-E638 PolarHBondContact O-N 3.2Å; F634-L662 HydrophobicContact CE1-CD2 4.21Å; F634-L662 HydrophobicContact CZ-CB 4.29Å; F634-L662 HydrophobicContact CZ-CD2 3.82Å; F634-T665 HydrophobicContact CE2-CG2 3.79Å; F634-M666 HydrophobicContact CB-SD 3.84Å; F634-M666 HydrophobicContact CD1-SD 3.67Å; F634-M666 HydrophobicContact CD2-SD 3.92Å; F634-M666 HydrophobicContact CE1-CB 4.38Å; F634-M666 HydrophobicContact CE1-SD 4.12Å; F634-M666 HydrophobicContact CE2-CB 4.15Å; F634-M666 HydrophobicContact CE2-SD 4.34Å; F634-M666 HydrophobicContact CG-SD 3.55Å; F634-M666 VanDerWaalsContact CG-SD 3.55Å; F634-M666 HydrophobicContact CZ-CB 4.02Å; F634-M666 HydrophobicContact CZ-SD 4.42Å; F634-H669 HydrophobicContact CD2-CB 4.45Å
635E93.2Very high90Very high85 Ų8537.7 Ų37.740%0.39719%0.185SC..Hα-helixtrans-66.1-31.6176.8-55.683.4172.800111.7F584 P587 P633 A639F584-E635 HydrophobicContact CE2-CB 3.71Å; F584-E635 HydrophobicContact CZ-CB 3.97Å; P587-E635 HydrophobicContact CG-CG 4.4Å; P633-E635 VanDerWaalsContact C-N 3.3Å; P633-E635 PolarHBondContact O-N 3.4Å; E635-A639 WeakPolarHBondContact O-CB 2.95Å; E635-A639 PolarHBondContact O-N 3.46Å
636L95.3Very high90.2Very high0 Ų040.1 Ų40.10%020%0.198CC..Hα-helixtrans-74.6-37.8173.3-179.960.8000111.4L575 F584 L627 P633 F634 E638 A639 L640 L776L575-L636 HydrophobicContact CD1-CD2 3.55Å; F584-L636 HydrophobicContact CB-CD1 3.87Å; F584-L636 HydrophobicContact CD1-CB 4.44Å; F584-L636 HydrophobicContact CD1-CD1 4.05Å; F584-L636 HydrophobicContact CD2-CB 4.37Å; F584-L636 HydrophobicContact CD2-CD1 4.16Å; F584-L636 HydrophobicContact CE1-CB 4.24Å; F584-L636 HydrophobicContact CE2-CB 4.18Å; F584-L636 HydrophobicContact CG-CB 4.5Å; F584-L636 HydrophobicContact CG-CD1 3.76Å; F584-L636 HydrophobicContact CZ-CB 4.1Å; L627-L636 HydrophobicContact CD1-CD2 4.29Å; P633-L636 HydrophobicContact CB-CB 3.8Å; P633-L636 HydrophobicContact CG-CB 3.94Å; P633-L636 HydrophobicContact CG-CD2 3.96Å; P633-L636 PolarHBondContact O-N 3.06Å; F634-L636 VanDerWaalsContact C-N 3.29Å; F634-L636 PolarHBondContact O-N 3.15Å; L636-E638 VanDerWaalsContact C-N 3.3Å; L636-E638 PolarHBondContact O-N 3.09Å; L636-A639 PolarHBondContact O-N 2.97Å; L636-L640 HydrophobicContact CD1-CG 4.44Å; L636-L640 HydrophobicContact CG-CD1 4.28Å; L636-L640 WeakPolarHBondContact O-CB 3.31Å; L636-L640 WeakPolarHBondContact O-CG 3.34Å; L636-L640 PolarHBondContact O-N 3.15Å; L636-L776 HydrophobicContact CD2-CD2 4.02Å; L636-L776 HydrophobicContact CG-CD2 4.42Å
637I96Very high90.2Very high0 Ų039.5 Ų39.50%020%0.197CC..Hα-helixtrans-62.3-41.7172-62168.8000109.9T632 P633 F634 L640 L641 V655 L657 M666 I729 L776T632-I637 HydrophobicContact CG2-CD1 3.88Å; P633-I637 PolarHBondContact O-N 2.73Å; P633-I637 VanDerWaalsContact O-N 3.11Å; F634-I637 PolarHBondContact O-N 2.86Å; I637-L640 PolarHBondContact O-N 3.34Å; I637-L641 HydrophobicContact CG2-CD1 4.25Å; I637-L641 VanDerWaalsContact O-CG 3.32Å; I637-L641 WeakPolarHBondContact O-CG 3.49Å; I637-L641 PolarHBondContact O-N 3.35Å; I637-V655 HydrophobicContact CD1-CG1 4.35Å; I637-V655 HydrophobicContact CG2-CG1 4.3Å; I637-L657 HydrophobicContact CD1-CD2 4.31Å; I637-M666 HydrophobicContact CB-CE 3.74Å; I637-M666 HydrophobicContact CB-SD 4.32Å; I637-M666 HydrophobicContact CD1-SD 4.11Å; I637-M666 HydrophobicContact CG2-CE 3.51Å; I637-M666 HydrophobicContact CG2-SD 4.29Å; I637-I729 HydrophobicContact CG1-CG2 4.22Å; I637-I729 HydrophobicContact CG2-CD1 4.27Å; I637-L776 HydrophobicContact CD1-CD1 4.09Å; I637-L776 HydrophobicContact CG1-CD1 3.69Å
638E95.4Very high90.2Very high27 Ų2745.3 Ų45.313%0.12623%0.228CC..Hα-helixtrans-61.2-45.5173.8-168.7-166130.900112.1F634 L636 L641 K642 H669 N673 F676F634-E638 PolarHBondContact O-N 3.2Å; L636-E638 VanDerWaalsContact C-N 3.3Å; L636-E638 PolarHBondContact O-N 3.09Å; E638-L641 PolarHBondContact O-N 3.41Å; E638-K642 PolarHBondContact O-N 3.4Å; E638-K642 WeakPolarHBondContact OE1-CE 3.23Å; E638-K642 IonicContact OE1-NZ 3.21Å; E638-K642 PolarHBondContact OE1-NZ 3.48Å; E638-H669 IonicContact OE2-CD2 2.73Å; E638-H669 IonicContact OE2-CE1 3.76Å; E638-H669 IonicContact OE2-NE2 2.92Å; E638-H669 PolarHBondContact OE2-NE2 3.24Å; E638-N673 PolarHBondContact OE1-ND2 3.28Å; E638-N673 PolarHBondContact OE2-ND2 2.94Å; E638-N673 VanDerWaalsContact OE2-ND2 3.14Å; E638-F676 HydrophobicContact CG-CD2 4.22Å; E638-F676 HydrophobicContact CG-CE2 3.54Å; E638-F676 HydrophobicContact CG-CZ 4.42Å
639A96Very high90.5Very high20 Ų2045.7 Ų45.717%0.16523%0.232CC..Hα-helixtrans-63.4-39.817700000112.2T582 F584 E635 L636 K642 Y643T582-A639 HydrophobicContact CG2-CB 4.15Å; F584-A639 HydrophobicContact CD2-CB 4.02Å; E635-A639 WeakPolarHBondContact O-CB 2.95Å; E635-A639 PolarHBondContact O-N 3.46Å; L636-A639 PolarHBondContact O-N 2.97Å; A639-K642 PolarHBondContact O-N 2.91Å; A639-Y643 WeakPolarHBondContact O-CB 3.47Å; A639-Y643 PolarHBondContact O-N 3.24Å
640L96.9Very high90.8Very high0 Ų049.6 Ų49.60%026%0.259CS..Hα-helixtrans-65.1-40.2173.9-76.5168.9000112.2C578 T582 L636 I637 K642 Y643 I644 I729 F774 L776C578-L640 HydrophobicContact CB-CD1 4.37Å; C578-L640 HydrophobicContact CB-CD2 4.11Å; T582-L640 HydrophobicContact CG2-CD2 3.83Å; T582-L640 HydrophobicContact CG2-CG 4.16Å; L636-L640 HydrophobicContact CD1-CG 4.44Å; L636-L640 HydrophobicContact CG-CD1 4.28Å; L636-L640 WeakPolarHBondContact O-CB 3.31Å; L636-L640 WeakPolarHBondContact O-CG 3.34Å; L636-L640 PolarHBondContact O-N 3.15Å; I637-L640 PolarHBondContact O-N 3.34Å; L640-K642 VanDerWaalsContact C-N 3.32Å; L640-K642 PolarHBondContact O-N 3.45Å; L640-Y643 PolarHBondContact O-N 2.81Å; L640-I644 WeakPolarHBondContact O-CB 3.47Å; L640-I644 WeakPolarHBondContact O-CD1 3.42Å; L640-I644 VanDerWaalsContact O-CG1 3.23Å; L640-I644 WeakPolarHBondContact O-CG1 3.4Å; L640-I644 PolarHBondContact O-N 3.48Å; L640-I729 HydrophobicContact CB-CD1 4.09Å; L640-I729 HydrophobicContact CD1-CG2 4.33Å; L640-F774 HydrophobicContact CD1-CB 4.21Å; L640-F774 HydrophobicContact CD2-CD1 3.85Å; L640-F774 HydrophobicContact CD2-CE1 4.21Å; L640-F774 HydrophobicContact CD2-CG 4.23Å; L640-L776 HydrophobicContact CD1-CD2 3.68Å
641L96.1Very high91.8Very high2 Ų246.3 Ų46.31%0.0125%0.249CC..Hα-helixtrans-63.4-37.4174.7-73.2168.9000112.2I637 E638 E645 V653 L670 F676 V709 I729I637-L641 HydrophobicContact CG2-CD1 4.25Å; I637-L641 VanDerWaalsContact O-CG 3.32Å; I637-L641 WeakPolarHBondContact O-CG 3.49Å; I637-L641 PolarHBondContact O-N 3.35Å; E638-L641 PolarHBondContact O-N 3.41Å; L641-E645 PolarHBondContact O-N 3Å; L641-V653 HydrophobicContact CD2-CB 4.13Å; L641-V653 HydrophobicContact CD2-CG1 3.84Å; L641-V653 HydrophobicContact CD2-CG2 3.96Å; L641-L670 HydrophobicContact CD1-CD1 3.9Å; L641-L670 HydrophobicContact CD1-CD2 3.71Å; L641-L670 HydrophobicContact CD1-CG 4.49Å; L641-F676 HydrophobicContact CB-CE1 3.63Å; L641-F676 HydrophobicContact CB-CZ 3.53Å; L641-F676 HydrophobicContact CD1-CE1 4.34Å; L641-F676 HydrophobicContact CD1-CZ 4.46Å; L641-V709 HydrophobicContact CD2-CG1 4.29Å; L641-V709 HydrophobicContact CD2-CG2 4.21Å; L641-I729 HydrophobicContact CD2-CD1 4.28Å; L641-I729 HydrophobicContact CG-CD1 4.33Å
642K94.8Very high92.5Very high87 Ų8741.6 Ų41.638%0.37823%0.227SC..Hα-helixtrans-66.6-42.3171.3-72.6170.7172.9164.10111.8E638 A639 L640 E645 T646 F676E638-K642 PolarHBondContact O-N 3.4Å; E638-K642 WeakPolarHBondContact OE1-CE 3.23Å; E638-K642 IonicContact OE1-NZ 3.21Å; E638-K642 PolarHBondContact OE1-NZ 3.48Å; A639-K642 PolarHBondContact O-N 2.91Å; L640-K642 VanDerWaalsContact C-N 3.32Å; L640-K642 PolarHBondContact O-N 3.45Å; K642-E645 WeakPolarHBondContact O-CB 3.45Å; K642-E645 PolarHBondContact O-N 3.49Å; K642-T646 PolarHBondContact O-N 2.98Å; K642-F676 HydrophobicContact CG-CE2 4.16Å; K642-F676 HydrophobicContact CG-CZ 3.82Å
643Y95Very high93.1Very high52 Ų5240.7 Ų40.720%0.20422%0.222CC..Hα-helixtrans-63.6-43.3176.7175.8-100.2000112.2M581 T582 A639 L640 E645 T646 L647M581-Y643 HydrophobicContact CB-CD2 4.43Å; M581-Y643 HydrophobicContact CB-CE1 4.27Å; M581-Y643 HydrophobicContact CB-CE2 3.98Å; M581-Y643 HydrophobicContact SD-CE1 3.93Å; T582-Y643 HydrophobicContact CG2-CG 4.39Å; A639-Y643 WeakPolarHBondContact O-CB 3.47Å; A639-Y643 PolarHBondContact O-N 3.24Å; L640-Y643 PolarHBondContact O-N 2.81Å; Y643-E645 PolarHBondContact O-N 3.39Å; Y643-T646 WeakPolarHBondContact O-CA 3.39Å; Y643-T646 WeakPolarHBondContact O-CB 3.4Å; Y643-T646 PolarHBondContact O-N 3.25Å; Y643-T646 PolarHBondContact O-OG1 3.07Å; Y643-L647 HydrophobicContact CD1-CD1 4.48Å; Y643-L647 HydrophobicContact CE1-CD1 4.11Å; Y643-L647 HydrophobicContact CE1-CD2 3.97Å; Y643-L647 HydrophobicContact CE1-CG 4.23Å; Y643-L647 PolarHBondContact O-N 3.28Å
644I94.3Very high93.5Very high10 Ų1039.7 Ų39.75%0.05122%0.215CC..Hα-helixtrans-55.3-39.5175.4-75.9164.1000111.6L640 T646 L647 V653 Y727 I729 F774L640-I644 WeakPolarHBondContact O-CB 3.47Å; L640-I644 WeakPolarHBondContact O-CD1 3.42Å; L640-I644 VanDerWaalsContact O-CG1 3.23Å; L640-I644 WeakPolarHBondContact O-CG1 3.4Å; L640-I644 PolarHBondContact O-N 3.48Å; I644-T646 VanDerWaalsContact C-N 3.3Å; I644-T646 PolarHBondContact O-N 3.38Å; I644-L647 WeakPolarHBondContact O-CB 3.21Å; I644-L647 PolarHBondContact O-N 3.44Å; I644-V653 HydrophobicContact CD1-CG1 4.3Å; I644-V653 HydrophobicContact CD1-CG2 4.38Å; I644-V653 HydrophobicContact CG2-CG2 4.29Å; I644-Y727 HydrophobicContact CB-CE1 4.47Å; I644-Y727 HydrophobicContact CD1-CD1 4.09Å; I644-Y727 HydrophobicContact CD1-CG 4.11Å; I644-Y727 HydrophobicContact CG1-CD1 3.86Å; I644-Y727 HydrophobicContact CG1-CE1 4.14Å; I644-Y727 HydrophobicContact CG1-CG 4.28Å; I644-Y727 HydrophobicContact CG2-CD1 3.95Å; I644-Y727 HydrophobicContact CG2-CD2 3.76Å; I644-Y727 HydrophobicContact CG2-CE1 3.82Å; I644-Y727 HydrophobicContact CG2-CE2 3.62Å; I644-Y727 HydrophobicContact CG2-CG 3.91Å; I644-I729 HydrophobicContact CD1-CD1 4.06Å; I644-I729 HydrophobicContact CD1-CG1 4.46Å; I644-F774 HydrophobicContact CD1-CD2 4.38Å; I644-F774 HydrophobicContact CD1-CE2 3.83Å; I644-F774 HydrophobicContact CG1-CE2 3.96Å; I644-F774 HydrophobicContact CG1-CZ 4.22Å
645E90.9Very high93.8Very high59 Ų5938.5 Ų38.528%0.27621%0.21SC..Hα-helixtrans-59.7-39.3174.3-170.1-177.5178.500112.1L641 K642 Y643 L647 N648 H675 R680 Y681L641-E645 PolarHBondContact O-N 3Å; K642-E645 WeakPolarHBondContact O-CB 3.45Å; K642-E645 PolarHBondContact O-N 3.49Å; Y643-E645 PolarHBondContact O-N 3.39Å; E645-L647 PolarHBondContact O-N 2.91Å; E645-N648 PolarHBondContact O-N 3.23Å; E645-H675 IonicContact OE1-CE1 3.81Å; E645-H675 IonicContact OE1-NE2 3.91Å; E645-H675 IonicContact OE2-CD2 3.77Å; E645-H675 IonicContact OE2-CE1 3.23Å; E645-H675 PolarHBondContact OE2-CE1 2.73Å; E645-H675 VanDerWaalsContact OE2-CE1 3.23Å; E645-H675 IonicContact OE2-NE2 2.71Å; E645-H675 PolarHBondContact OE2-NE2 3.42Å; E645-R680 IonicContact OE1-CZ 3.16Å; E645-R680 IonicContact OE1-NH1 2.7Å; E645-R680 PolarHBondContact OE1-NH1 2.92Å; E645-R680 IonicContact OE1-NH2 2.71Å; E645-R680 PolarHBondContact OE1-NH2 3.36Å; E645-Y681 PolarHBondContact OE2-OH 3.32Å
646T92.1Very high94Very high92 Ų9234.5 Ų34.556%0.56419%0.191SC*.Hα-helixtrans-67.4-21.8179.173.90000113.8K642 Y643 I644 N648K642-T646 PolarHBondContact O-N 2.98Å; Y643-T646 WeakPolarHBondContact O-CA 3.39Å; Y643-T646 WeakPolarHBondContact O-CB 3.4Å; Y643-T646 PolarHBondContact O-N 3.25Å; Y643-T646 PolarHBondContact O-OG1 3.07Å; I644-T646 VanDerWaalsContact C-N 3.3Å; I644-T646 PolarHBondContact O-N 3.38Å; T646-N648 PolarHBondContact O-N 3.02Å; T646-N648 PolarHBondContact O-ND2 3.24Å
647L89.6Confident94Very high51 Ų5134.6 Ų34.627%0.26719%0.192SC..THydrogen-bonded Turntrans-68.8-17.2177.1-59.6177.3000112.7Y643 I644 E645 V649 Y727Y643-L647 HydrophobicContact CD1-CD1 4.48Å; Y643-L647 HydrophobicContact CE1-CD1 4.11Å; Y643-L647 HydrophobicContact CE1-CD2 3.97Å; Y643-L647 HydrophobicContact CE1-CG 4.23Å; Y643-L647 PolarHBondContact O-N 3.28Å; I644-L647 WeakPolarHBondContact O-CB 3.21Å; I644-L647 PolarHBondContact O-N 3.44Å; E645-L647 PolarHBondContact O-N 2.91Å; L647-V649 PolarHBondContact O-N 3.11Å; L647-Y727 HydrophobicContact CD1-CE1 3.85Å
648N86.4Confident93.5Very high143 Ų14335.1 Ų35.177%0.76520%0.195SC*.  trans53.820.8179-70.4-71.2000115.5E645 T646E645-N648 PolarHBondContact O-N 3.23Å; T646-N648 PolarHBondContact O-N 3.02Å; T646-N648 PolarHBondContact O-ND2 3.24Å
649V89.4Confident92.9Very high62 Ų6234.3 Ų34.338%0.37619%0.194SC..  trans-97.8117.8172172.80000108.3L647 V726 Y727L647-V649 PolarHBondContact O-N 3.11Å; V649-V726 HydrophobicContact CG1-CG1 4.35Å; V649-Y727 WeakPolarHBondContact CB-OH 3.26Å; V649-Y727 PolarHBondContact O-OH 3Å
650P89.4Confident92.2Very high98 Ų9837.3 Ų37.364%0.63620%0.202SC*.  trans-72.2135.8-176.828.1-34.1000110.6R769P650-R769 PolarHBondContact O-NH1 3.45Å; P650-R769 PolarHBondContact O-NH2 2.7Å
651G91.8Very high91.1Very high16 Ų1643.1 Ų43.117%0.16523%0.232CC..  trans173.3159.3175.200000113.1
652A95.4Very high90.5Very high1 Ų145.8 Ų45.81%0.00825%0.246CC..EExtended strand (participates in β ladder)trans-75.3149.5176.600000111.6K708 D724 V725 V726 Y727A652-K708 WeakPolarHBondContact CA-O 3.23Å; A652-K708 HydrophobicContact CB-CB 3.91Å; A652-D724 PolarHBondContact N-O 2.96Å; A652-V725 HydrophobicContact CB-CG2 4.32Å; A652-V726 PolarHBondContact O-N 3.09Å; A652-Y727 PolarHBondContact O-N 3.03Å
653V97.2Very high90.2Very high1 Ų141.6 Ų41.61%0.00623%0.228CC..EExtended strand (participates in β ladder)trans-106.1125.4175.2-169.60000109.5L641 I644 V655 T707 K708 V709 I710 Y727 I729L641-V653 HydrophobicContact CD2-CB 4.13Å; L641-V653 HydrophobicContact CD2-CG1 3.84Å; L641-V653 HydrophobicContact CD2-CG2 3.96Å; I644-V653 HydrophobicContact CD1-CG1 4.3Å; I644-V653 HydrophobicContact CD1-CG2 4.38Å; I644-V653 HydrophobicContact CG2-CG2 4.29Å; V653-V655 HydrophobicContact CG1-CG2 4.16Å; V653-T707 HydrophobicContact CG2-CG2 4.35Å; V653-K708 PolarHBondContact N-O 2.86Å; V653-V709 HydrophobicContact CB-CG2 4.43Å; V653-V709 CarbonylContact O-C 3.55Å; V653-V709 WeakPolarHBondContact O-CA 3.5Å; V653-I710 PolarHBondContact O-N 2.99Å; V653-Y727 CarbonylContact C-O 3.37Å; V653-Y727 WeakPolarHBondContact CA-O 3.38Å; V653-Y727 HydrophobicContact CG2-CD2 4.08Å; V653-Y727 HydrophobicContact CG2-CG 4.35Å; V653-I729 HydrophobicContact CG1-CD1 3.88Å; V653-I729 HydrophobicContact CG1-CG1 4.1Å
654L97.4Very high89.5Confident2 Ų243.6 Ų43.61%0.0124%0.236CC..EExtended strand (participates in β ladder)trans-108.5115.8174.6178.261000109.9F656 I710 A716 V725 Y727 V728 I729 R764L654-F656 HydrophobicContact CD2-CE2 3.62Å; L654-F656 HydrophobicContact CD2-CZ 3.68Å; L654-F656 HydrophobicContact CG-CD2 4.36Å; L654-F656 HydrophobicContact CG-CE2 3.84Å; L654-F656 HydrophobicContact CG-CZ 4.17Å; L654-I710 HydrophobicContact CD1-CB 3.87Å; L654-I710 HydrophobicContact CD1-CG2 3.69Å; L654-A716 HydrophobicContact CD1-CB 4.26Å; L654-A716 HydrophobicContact CD2-CB 4.26Å; L654-V725 HydrophobicContact CB-CG1 3.88Å; L654-V725 HydrophobicContact CB-CG2 4.27Å; L654-Y727 PolarHBondContact N-O 3.49Å; L654-V728 HydrophobicContact CB-CG2 4.37Å; L654-V728 CarbonylContact O-C 3.54Å; L654-V728 VanDerWaalsContact O-CA 3.31Å; L654-V728 WeakPolarHBondContact O-CA 3.34Å; L654-I729 PolarHBondContact O-N 3.3Å; L654-R764 HydrophobicContact CD2-CB 3.84Å; L654-R764 HydrophobicContact CD2-CG 3.97Å
655V97.8Very high88.8Confident1 Ų146.6 Ų46.61%0.00626%0.255CS..EExtended strand (participates in β ladder)trans-106116.4-178-169.40000109.7I637 V653 L657 V709 I710 L711 S712 I729I637-V655 HydrophobicContact CD1-CG1 4.35Å; I637-V655 HydrophobicContact CG2-CG1 4.3Å; V653-V655 HydrophobicContact CG1-CG2 4.16Å; V655-L657 HydrophobicContact CG1-CD1 4.48Å; V655-L657 HydrophobicContact CG1-CD2 4.34Å; V655-L657 HydrophobicContact CG1-CG 4.14Å; V655-V709 HydrophobicContact CG2-CG1 4.35Å; V655-I710 PolarHBondContact N-O 3.33Å; V655-L711 HydrophobicContact CB-CD2 3.74Å; V655-L711 HydrophobicContact CG1-CD2 4.31Å; V655-L711 HydrophobicContact CG2-CD2 3.77Å; V655-S712 PolarHBondContact O-N 2.86Å; V655-I729 CarbonylContact C-O 3.5Å; V655-I729 VanDerWaalsContact CA-O 3.29Å; V655-I729 WeakPolarHBondContact CA-O 3.3Å; V655-I729 HydrophobicContact CG1-CB 4.24Å; V655-I729 HydrophobicContact CG1-CG2 4.35Å; V655-I729 HydrophobicContact CG2-CB 4.31Å; V655-I729 HydrophobicContact CG2-CD1 4.4Å
656F97.3Very high88.8Confident0 Ų043.8 Ų43.80%024%0.242CC..EExtended strand (participates in β ladder)trans-87.6118.5176.8-76.2-82.1000111.4L654 S712 T713 A716 E717 V728 I729 D730 S731 R761 R764L654-F656 HydrophobicContact CD2-CE2 3.62Å; L654-F656 HydrophobicContact CD2-CZ 3.68Å; L654-F656 HydrophobicContact CG-CD2 4.36Å; L654-F656 HydrophobicContact CG-CE2 3.84Å; L654-F656 HydrophobicContact CG-CZ 4.17Å; F656-S712 CarbonylContact C-O 3.06Å; F656-S712 WeakPolarHBondContact CA-O 3.43Å; F656-T713 WeakPolarHBondContact CD1-O 3.16Å; F656-T713 WeakPolarHBondContact CE1-O 3.39Å; F656-A716 HydrophobicContact CE1-CB 4.02Å; F656-A716 HydrophobicContact CZ-CB 4.14Å; F656-E717 HydrophobicContact CE1-CB 4.12Å; F656-V728 HydrophobicContact CD2-CG1 3.96Å; F656-V728 HydrophobicContact CE2-CG1 4.07Å; F656-I729 PolarHBondContact N-O 3.08Å; F656-D730 WeakPolarHBondContact CB-OD1 3.49Å; F656-S731 WeakPolarHBondContact O-CB 3.5Å; F656-S731 PolarHBondContact O-N 3.1Å; F656-S731 VanDerWaalsContact O-N 3.1Å; F656-S731 PolarHBondContact O-OG 3.3Å; F656-R761 HydrophobicContact CD1-CG 4.01Å; F656-R761 HydrophobicContact CD2-CB 3.78Å; F656-R761 HydrophobicContact CD2-CG 3.68Å; F656-R761 HydrophobicContact CE1-CG 3.95Å; F656-R761 HydrophobicContact CE2-CB 3.61Å; F656-R761 HydrophobicContact CE2-CG 3.61Å; F656-R761 HydrophobicContact CG-CB 4.46Å; F656-R761 HydrophobicContact CG-CG 3.88Å; F656-R761 HydrophobicContact CZ-CB 4.17Å; F656-R761 HydrophobicContact CZ-CG 3.76Å; F656-R764 HydrophobicContact CE2-CG 4.36Å; F656-R764 HydrophobicContact CZ-CG 4.15Å
657L94.3Very high88.7Confident2 Ų240.7 Ų40.71%0.0122%0.221CC..  trans-126.2145.4-179.4-65.8173.3000110.4T632 I637 V655 G659 I663 M666 S712 T713T632-L657 HydrophobicContact CG2-CD2 3.96Å; I637-L657 HydrophobicContact CD1-CD2 4.31Å; V655-L657 HydrophobicContact CG1-CD1 4.48Å; V655-L657 HydrophobicContact CG1-CD2 4.34Å; V655-L657 HydrophobicContact CG1-CG 4.14Å; L657-G659 PolarHBondContact O-N 3.45Å; L657-G659 VanDerWaalsContact O-N 3.08Å; L657-I663 HydrophobicContact CB-CG1 3.84Å; L657-I663 HydrophobicContact CD1-CG1 3.92Å; L657-I663 HydrophobicContact CG-CG1 4.49Å; L657-M666 HydrophobicContact CD1-CB 3.93Å; L657-M666 HydrophobicContact CD1-CG 4.28Å; L657-S712 PolarHBondContact N-O 3.05Å; L657-T713 WeakPolarHBondContact O-CA 3.38Å
658P86.4Confident88.5Confident11 Ų1142 Ų427%0.07122%0.224CC..SBendtrans-73.6-3-169.429.6-37.7000115.3L662 K733 K735 T750P658-L662 HydrophobicContact CG-CD1 3.67Å; P658-K733 HydrophobicContact CB-CB 4.1Å; P658-K733 HydrophobicContact CG-CB 4.2Å; P658-K735 WeakPolarHBondContact O-CB 3.46Å; P658-T750 HydrophobicContact CB-CG2 3.88Å; P658-T750 HydrophobicContact CG-CG2 3.98Å
659G82.9Confident88.6Confident11 Ų1138 Ų3811%0.11320%0.201CC..SBendtrans166.6170.1175.700000115.5L657 N661 L662 I663L657-G659 PolarHBondContact O-N 3.45Å; L657-G659 VanDerWaalsContact O-N 3.08Å; G659-N661 VanDerWaalsContact C-N 3.34Å; G659-N661 PolarHBondContact O-N 3.1Å; G659-N661 VanDerWaalsContact O-N 3.12Å; G659-L662 PolarHBondContact O-N 3.27Å; G659-I663 PolarHBondContact O-N 3.37Å
660W79.9Confident88.8Confident83 Ų8335 Ų3531%0.31418%0.183SC..Hα-helixtrans-43.5-48.4-172.4-176.4-115.7000115.6L662 I663 Y664 P685 H687 I690W660-L662 VanDerWaalsContact C-N 3.27Å; W660-L662 PolarHBondContact O-N 3.12Å; W660-I663 HydrophobicContact CE3-CG2 4.31Å; W660-I663 HydrophobicContact CZ3-CG2 4.28Å; W660-I663 PolarHBondContact O-N 2.76Å; W660-I663 VanDerWaalsContact O-N 3.14Å; W660-Y664 HydrophobicContact CZ2-CD2 4.22Å; W660-Y664 WeakPolarHBondContact O-CB 3.46Å; W660-Y664 PolarHBondContact O-N 2.78Å; W660-P685 HydrophobicContact CZ3-CB 4.08Å; W660-H687 HydrophobicContact CE3-CB 3.96Å; W660-H687 HydrophobicContact CZ3-CB 4.38Å; W660-H687 PolarHBondContact N-CD2 2.94Å; W660-H687 VanDerWaalsContact N-CD2 3.3Å; W660-H687 PolarHBondContact N-NE2 3.32Å; W660-I690 HydrophobicContact CE3-CG1 4.48Å; W660-I690 HydrophobicContact CH2-CD1 4.42Å; W660-I690 HydrophobicContact CH2-CG1 4.16Å; W660-I690 HydrophobicContact CZ3-CD1 3.71Å; W660-I690 HydrophobicContact CZ3-CG1 3.68Å
661N75.5Confident88.9Confident121 Ų12133.6 Ų33.665%0.64717%0.168SC*.Hα-helixtrans-57.8-39-177.4-68-2.8000112.7G659 T665G659-N661 VanDerWaalsContact C-N 3.34Å; G659-N661 PolarHBondContact O-N 3.1Å; G659-N661 VanDerWaalsContact O-N 3.12Å; N661-T665 WeakPolarHBondContact O-CB 3.4Å; N661-T665 PolarHBondContact O-N 2.85Å; N661-T665 VanDerWaalsContact O-N 3.11Å; N661-T665 PolarHBondContact O-OG1 3.05Å
662L83.2Confident88.7Confident58 Ų5840.1 Ų40.130%0.30420%0.196SC..Hα-helixtrans-80-34.2178.8-67.6-175.4000111.4F634 P658 G659 W660 T665 M666F634-L662 HydrophobicContact CE1-CD2 4.21Å; F634-L662 HydrophobicContact CZ-CB 4.29Å; F634-L662 HydrophobicContact CZ-CD2 3.82Å; P658-L662 HydrophobicContact CG-CD1 3.67Å; G659-L662 PolarHBondContact O-N 3.27Å; W660-L662 VanDerWaalsContact C-N 3.27Å; W660-L662 PolarHBondContact O-N 3.12Å; L662-T665 PolarHBondContact O-N 2.9Å; L662-M666 WeakPolarHBondContact O-CB 3.32Å; L662-M666 PolarHBondContact O-N 3.29Å
663I87.3Confident88.5Confident0 Ų041.4 Ų41.40%020%0.203CC..Hα-helixtrans-58.1-53.6171.7-71.8169000110.4L657 G659 W660 T665 M666 Q667 P685 H687 L711 T713L657-I663 HydrophobicContact CB-CG1 3.84Å; L657-I663 HydrophobicContact CD1-CG1 3.92Å; L657-I663 HydrophobicContact CG-CG1 4.49Å; G659-I663 PolarHBondContact O-N 3.37Å; W660-I663 HydrophobicContact CE3-CG2 4.31Å; W660-I663 HydrophobicContact CZ3-CG2 4.28Å; W660-I663 PolarHBondContact O-N 2.76Å; W660-I663 VanDerWaalsContact O-N 3.14Å; I663-T665 PolarHBondContact O-N 2.78Å; I663-M666 PolarHBondContact O-N 3.27Å; I663-Q667 VanDerWaalsContact O-CB 3.3Å; I663-Q667 WeakPolarHBondContact O-CB 3.41Å; I663-Q667 PolarHBondContact O-N 2.92Å; I663-P685 HydrophobicContact CG2-CB 3.65Å; I663-H687 HydrophobicContact CD1-CB 4.41Å; I663-L711 HydrophobicContact CG1-CB 4.49Å; I663-L711 HydrophobicContact CG2-CB 3.94Å; I663-L711 WeakPolarHBondContact CG2-O 3.33Å; I663-T713 HydrophobicContact CD1-CG2 3.59Å
664Y80.1Confident88.2Confident94 Ų9447 Ų4737%0.36924%0.239SC..Hα-helixtrans-63.3-41.7179.9-178.3-92.5000112.6W660 Q667 K668W660-Y664 HydrophobicContact CZ2-CD2 4.22Å; W660-Y664 WeakPolarHBondContact O-CB 3.46Å; W660-Y664 PolarHBondContact O-N 2.78Å; Y664-Q667 PolarHBondContact O-N 2.97Å; Y664-K668 HydrophobicContact CD1-CG 4.33Å; Y664-K668 HydrophobicContact CE1-CG 3.89Å; Y664-K668 WeakPolarHBondContact O-CG 3.48Å; Y664-K668 PolarHBondContact O-N 3.3Å; Y664-K668 WeakPolarHBondContact OH-CE 3.36Å
665T80.8Confident87.9Confident73 Ų7349.7 Ų49.745%0.44825%0.251SS..Hα-helixtrans-69.9-38.5179.2-46.30000111.3F634 N661 L662 I663 K668 H669F634-T665 HydrophobicContact CE2-CG2 3.79Å; N661-T665 WeakPolarHBondContact O-CB 3.4Å; N661-T665 PolarHBondContact O-N 2.85Å; N661-T665 VanDerWaalsContact O-N 3.11Å; N661-T665 PolarHBondContact O-OG1 3.05Å; L662-T665 PolarHBondContact O-N 2.9Å; I663-T665 PolarHBondContact O-N 2.78Å; T665-K668 PolarHBondContact O-N 2.89Å; T665-H669 WeakPolarHBondContact O-CB 3.34Å; T665-H669 PolarHBondContact O-N 2.97Å
666M91.2Very high87.7Confident0 Ų049.8 Ų49.80%025%0.252CS..Hα-helixtrans-66.6-40.9174.1-171.674.3-150.700111.3F634 I637 L657 L662 I663 K668 H669 L670 L711F634-M666 HydrophobicContact CB-SD 3.84Å; F634-M666 HydrophobicContact CD1-SD 3.67Å; F634-M666 HydrophobicContact CD2-SD 3.92Å; F634-M666 HydrophobicContact CE1-CB 4.38Å; F634-M666 HydrophobicContact CE1-SD 4.12Å; F634-M666 HydrophobicContact CE2-CB 4.15Å; F634-M666 HydrophobicContact CE2-SD 4.34Å; F634-M666 HydrophobicContact CG-SD 3.55Å; F634-M666 VanDerWaalsContact CG-SD 3.55Å; F634-M666 HydrophobicContact CZ-CB 4.02Å; F634-M666 HydrophobicContact CZ-SD 4.42Å; I637-M666 HydrophobicContact CB-CE 3.74Å; I637-M666 HydrophobicContact CB-SD 4.32Å; I637-M666 HydrophobicContact CD1-SD 4.11Å; I637-M666 HydrophobicContact CG2-CE 3.51Å; I637-M666 HydrophobicContact CG2-SD 4.29Å; L657-M666 HydrophobicContact CD1-CB 3.93Å; L657-M666 HydrophobicContact CD1-CG 4.28Å; L662-M666 WeakPolarHBondContact O-CB 3.32Å; L662-M666 PolarHBondContact O-N 3.29Å; I663-M666 PolarHBondContact O-N 3.27Å; M666-K668 PolarHBondContact O-N 3.22Å; M666-H669 WeakPolarHBondContact O-CB 3.38Å; M666-H669 PolarHBondContact O-N 3.05Å; M666-L670 HydrophobicContact CE-CD1 3.93Å; M666-L670 HydrophobicContact CE-CD2 3.77Å; M666-L670 HydrophobicContact CE-CG 3.75Å; M666-L670 HydrophobicContact CG-CD1 4.35Å; M666-L670 WeakPolarHBondContact O-CG 3.38Å; M666-L670 PolarHBondContact O-N 2.9Å; M666-L711 HydrophobicContact CB-CD1 4.25Å; M666-L711 HydrophobicContact CG-CD1 4.26Å; M666-L711 HydrophobicContact CG-CD2 4.21Å
667Q89.3Confident87.2Confident27 Ų2752 Ų5213%0.12628%0.275CS..Hα-helixtrans-56.3-51173.4-179.8173.9000110.5I663 Y664 H669 L670 E671 I683 L711I663-Q667 VanDerWaalsContact O-CB 3.3Å; I663-Q667 WeakPolarHBondContact O-CB 3.41Å; I663-Q667 PolarHBondContact O-N 2.92Å; Y664-Q667 PolarHBondContact O-N 2.97Å; Q667-H669 PolarHBondContact O-N 3.35Å; Q667-L670 PolarHBondContact O-N 3.19Å; Q667-E671 HydrophobicContact CG-CG 4.23Å; Q667-E671 WeakPolarHBondContact CG-OE1 3.4Å; Q667-E671 PolarHBondContact NE2-OE1 3.45Å; Q667-E671 WeakPolarHBondContact O-CB 3.39Å; Q667-E671 VanDerWaalsContact O-CG 3.29Å; Q667-E671 WeakPolarHBondContact O-CG 3.44Å; Q667-E671 PolarHBondContact O-N 2.9Å; Q667-I683 HydrophobicContact CB-CG2 4.42Å; Q667-I683 HydrophobicContact CG-CG2 3.99Å; Q667-L711 HydrophobicContact CB-CD1 3.74Å
668K84.9Confident87Confident77 Ų7753.5 Ų53.534%0.33529%0.286SS..Hα-helixtrans-64-38.3177.8-70.1-69.6161.1-145.70112.9Y664 T665 M666 L670 E671 M672Y664-K668 HydrophobicContact CD1-CG 4.33Å; Y664-K668 HydrophobicContact CE1-CG 3.89Å; Y664-K668 WeakPolarHBondContact O-CG 3.48Å; Y664-K668 PolarHBondContact O-N 3.3Å; Y664-K668 WeakPolarHBondContact OH-CE 3.36Å; T665-K668 PolarHBondContact O-N 2.89Å; M666-K668 PolarHBondContact O-N 3.22Å; K668-L670 VanDerWaalsContact C-N 3.34Å; K668-L670 PolarHBondContact O-N 2.9Å; K668-E671 WeakPolarHBondContact CE-OE2 3.28Å; K668-E671 IonicContact NZ-OE2 3.13Å; K668-E671 PolarHBondContact NZ-OE2 2.96Å; K668-E671 PolarHBondContact O-N 3.44Å; K668-M672 VanDerWaalsContact O-CB 3.26Å; K668-M672 WeakPolarHBondContact O-CB 3.43Å; K668-M672 WeakPolarHBondContact O-CG 3.32Å; K668-M672 PolarHBondContact O-N 3.48Å
669H89.9Confident87.1Confident59 Ų5961.1 Ų61.127%0.27332%0.32SS..Hα-helixtrans-58.3-44.9174.5-176.686.3000111.9F634 E638 T665 M666 Q667 N673F634-H669 HydrophobicContact CD2-CB 4.45Å; E638-H669 IonicContact OE2-CD2 2.73Å; E638-H669 IonicContact OE2-CE1 3.76Å; E638-H669 IonicContact OE2-NE2 2.92Å; E638-H669 PolarHBondContact OE2-NE2 3.24Å; T665-H669 WeakPolarHBondContact O-CB 3.34Å; T665-H669 PolarHBondContact O-N 2.97Å; M666-H669 WeakPolarHBondContact O-CB 3.38Å; M666-H669 PolarHBondContact O-N 3.05Å; Q667-H669 PolarHBondContact O-N 3.35Å; H669-N673 PolarHBondContact O-N 2.88Å
670L93.4Very high87.4Confident1 Ų165.1 Ų65.11%0.00533%0.332CS..Hα-helixtrans-72.9-44.6177.7-65.2174.4000112.5L641 M666 Q667 K668 M672 N673 F676 G677 I683 V709 L711L641-L670 HydrophobicContact CD1-CD1 3.9Å; L641-L670 HydrophobicContact CD1-CD2 3.71Å; L641-L670 HydrophobicContact CD1-CG 4.49Å; M666-L670 HydrophobicContact CE-CD1 3.93Å; M666-L670 HydrophobicContact CE-CD2 3.77Å; M666-L670 HydrophobicContact CE-CG 3.75Å; M666-L670 HydrophobicContact CG-CD1 4.35Å; M666-L670 WeakPolarHBondContact O-CG 3.38Å; M666-L670 PolarHBondContact O-N 2.9Å; Q667-L670 PolarHBondContact O-N 3.19Å; K668-L670 VanDerWaalsContact C-N 3.34Å; K668-L670 PolarHBondContact O-N 2.9Å; L670-M672 VanDerWaalsContact C-N 3.29Å; L670-M672 PolarHBondContact O-N 3.48Å; L670-N673 WeakPolarHBondContact O-CB 3.49Å; L670-N673 PolarHBondContact O-N 2.99Å; L670-N673 VanDerWaalsContact O-N 3.08Å; L670-F676 HydrophobicContact CB-CB 4.13Å; L670-F676 HydrophobicContact CD2-CB 4.31Å; L670-F676 HydrophobicContact CD2-CD2 3.85Å; L670-F676 HydrophobicContact CD2-CE2 4.31Å; L670-F676 HydrophobicContact CD2-CG 4.01Å; L670-F676 WeakPolarHBondContact O-CB 3.47Å; L670-G677 PolarHBondContact O-N 3.02Å; L670-I683 HydrophobicContact CB-CD1 3.54Å; L670-I683 HydrophobicContact CB-CG1 4.41Å; L670-V709 HydrophobicContact CD1-CG1 4.4Å; L670-L711 HydrophobicContact CD1-CD2 4.5Å
671E90.3Very high88.1Confident68 Ų6862.1 Ų62.132%0.31832%0.321SS..Hα-helixtrans-62.2-33.8178-74173.1175.900112.9Q667 K668 N673 I683Q667-E671 HydrophobicContact CG-CG 4.23Å; Q667-E671 WeakPolarHBondContact CG-OE1 3.4Å; Q667-E671 PolarHBondContact NE2-OE1 3.45Å; Q667-E671 WeakPolarHBondContact O-CB 3.39Å; Q667-E671 VanDerWaalsContact O-CG 3.29Å; Q667-E671 WeakPolarHBondContact O-CG 3.44Å; Q667-E671 PolarHBondContact O-N 2.9Å; K668-E671 WeakPolarHBondContact CE-OE2 3.28Å; K668-E671 IonicContact NZ-OE2 3.13Å; K668-E671 PolarHBondContact NZ-OE2 2.96Å; K668-E671 PolarHBondContact O-N 3.44Å; E671-N673 VanDerWaalsContact C-N 3.31Å; E671-I683 HydrophobicContact CG-CD1 3.93Å
672M88.8Confident89Confident153 Ų15359.8 Ų59.875%0.75431%0.306SS*.THydrogen-bonded Turntrans-77.7-15.2176-71.5177.462.800113.4K668 L670 P674K668-M672 VanDerWaalsContact O-CB 3.26Å; K668-M672 WeakPolarHBondContact O-CB 3.43Å; K668-M672 WeakPolarHBondContact O-CG 3.32Å; K668-M672 PolarHBondContact O-N 3.48Å; L670-M672 VanDerWaalsContact C-N 3.29Å; L670-M672 PolarHBondContact O-N 3.48Å; M672-P674 WeakPolarHBondContact O-CD 3.49Å
673N91.1Very high89.6Confident28 Ų2858.1 Ų58.115%0.1530%0.297CS..SBendtrans-82120.1177.9-170.9-48.2000109.3E638 H669 L670 E671 H675 F676 G677E638-N673 PolarHBondContact OE1-ND2 3.28Å; E638-N673 PolarHBondContact OE2-ND2 2.94Å; E638-N673 VanDerWaalsContact OE2-ND2 3.14Å; H669-N673 PolarHBondContact O-N 2.88Å; L670-N673 WeakPolarHBondContact O-CB 3.49Å; L670-N673 PolarHBondContact O-N 2.99Å; L670-N673 VanDerWaalsContact O-N 3.08Å; E671-N673 VanDerWaalsContact C-N 3.31Å; N673-H675 PolarHBondContact O-N 3.15Å; N673-H675 WeakPolarHBondContact OD1-CB 3.26Å; N673-H675 PolarHBondContact OD1-N 3.04Å; N673-F676 HydrophobicContact CB-CB 4.49Å; N673-F676 HydrophobicContact CB-CD2 4.15Å; N673-F676 PolarHBondContact O-N 3.33Å; N673-G677 PolarHBondContact O-N 3.12Å
674P90.4Very high89.9Confident119 Ų11959 Ų5977%0.77330%0.301SS*.THydrogen-bonded Turntrans-56.6-22.8-174.4-2835.8000115.3M672M672-P674 WeakPolarHBondContact O-CD 3.49Å
675H91.6Very high90.4Very high57 Ų5755.4 Ų55.426%0.26429%0.29SS..THydrogen-bonded Turntrans-74.9-49.2175.6-169.576.7000112.1E645 N673 S678 Y681E645-H675 IonicContact OE1-CE1 3.81Å; E645-H675 IonicContact OE1-NE2 3.91Å; E645-H675 IonicContact OE2-CD2 3.77Å; E645-H675 IonicContact OE2-CE1 3.23Å; E645-H675 PolarHBondContact OE2-CE1 2.73Å; E645-H675 VanDerWaalsContact OE2-CE1 3.23Å; E645-H675 IonicContact OE2-NE2 2.71Å; E645-H675 PolarHBondContact OE2-NE2 3.42Å; N673-H675 PolarHBondContact O-N 3.15Å; N673-H675 WeakPolarHBondContact OD1-CB 3.26Å; N673-H675 PolarHBondContact OD1-N 3.04Å; H675-S678 WeakPolarHBondContact O-CB 3.3Å; H675-S678 PolarHBondContact O-OG 2.77Å; H675-Y681 AromaticContact CD2-CE2 3.88Å; H675-Y681 AromaticContact NE2-CE2 3.88Å
676F92.8Very high90.8Very high3 Ų352 Ų521%0.01327%0.268CS..THydrogen-bonded Turntrans-89-23.9-173.9-63.9-69.4000114E638 L641 K642 L670 N673 S678 Y681E638-F676 HydrophobicContact CG-CD2 4.22Å; E638-F676 HydrophobicContact CG-CE2 3.54Å; E638-F676 HydrophobicContact CG-CZ 4.42Å; L641-F676 HydrophobicContact CB-CE1 3.63Å; L641-F676 HydrophobicContact CB-CZ 3.53Å; L641-F676 HydrophobicContact CD1-CE1 4.34Å; L641-F676 HydrophobicContact CD1-CZ 4.46Å; K642-F676 HydrophobicContact CG-CE2 4.16Å; K642-F676 HydrophobicContact CG-CZ 3.82Å; L670-F676 HydrophobicContact CB-CB 4.13Å; L670-F676 HydrophobicContact CD2-CB 4.31Å; L670-F676 HydrophobicContact CD2-CD2 3.85Å; L670-F676 HydrophobicContact CD2-CE2 4.31Å; L670-F676 HydrophobicContact CD2-CG 4.01Å; L670-F676 WeakPolarHBondContact O-CB 3.47Å; N673-F676 HydrophobicContact CB-CB 4.49Å; N673-F676 HydrophobicContact CB-CD2 4.15Å; N673-F676 PolarHBondContact O-N 3.33Å; F676-S678 PolarHBondContact O-N 3.22Å; F676-Y681 HydrophobicContact CD1-CD1 4.02Å; F676-Y681 AromaticContact CD1-CD2 3.85Å; F676-Y681 HydrophobicContact CD1-CD2 3.85Å; F676-Y681 AromaticContact CD1-CE1 3.89Å; F676-Y681 HydrophobicContact CD1-CE1 3.89Å; F676-Y681 AromaticContact CD1-CE2 3.71Å; F676-Y681 HydrophobicContact CD1-CE2 3.71Å; F676-Y681 AromaticContact CD1-CG 4Å; F676-Y681 HydrophobicContact CD1-CG 4Å; F676-Y681 AromaticContact CD1-CZ 3.73Å; F676-Y681 HydrophobicContact CE1-CD1 4.44Å; F676-Y681 AromaticContact CE1-CE1 3.88Å; F676-Y681 HydrophobicContact CE1-CE1 3.88Å; F676-Y681 HydrophobicContact CE1-CE2 4.03Å; F676-Y681 AromaticContact CE1-CZ 3.65Å
677G88.1Confident90.4Very high48 Ų4852.9 Ų52.950%0.49527%0.273SS..THydrogen-bonded Turntrans-76.83.7167.800000114.1L670 N673L670-G677 PolarHBondContact O-N 3.02Å; N673-G677 PolarHBondContact O-N 3.12Å
678S89.5Confident89.6Confident33 Ų3355.2 Ų55.223%0.23129%0.292CS..SBendtrans-81.4163.4176.276.70000112.2H675 F676 R680 Y681H675-S678 WeakPolarHBondContact O-CB 3.3Å; H675-S678 PolarHBondContact O-OG 2.77Å; F676-S678 PolarHBondContact O-N 3.22Å; S678-R680 PolarHBondContact O-N 2.88Å; S678-R680 PolarHBondContact OG-N 2.81Å; S678-Y681 PolarHBondContact O-N 3.23Å
679H88Confident88.6Confident170 Ų17055.1 Ų55.179%0.78729%0.293SS*.THydrogen-bonded Turntrans-61.7-3175.763.8-93.6000114.7
680R90.1Very high87.7Confident95 Ų9552.7 Ų52.736%0.35828%0.282SS..THydrogen-bonded Turntrans-80.2-15.8175.9-61.7-175.362-146.8-7113.5E645 S678 V706 T707E645-R680 IonicContact OE1-CZ 3.16Å; E645-R680 IonicContact OE1-NH1 2.7Å; E645-R680 PolarHBondContact OE1-NH1 2.92Å; E645-R680 IonicContact OE1-NH2 2.71Å; E645-R680 PolarHBondContact OE1-NH2 3.36Å; S678-R680 PolarHBondContact O-N 2.88Å; S678-R680 PolarHBondContact OG-N 2.81Å; R680-V706 CarbonylContact O-C 3.57Å; R680-V706 WeakPolarHBondContact O-CA 3.47Å; R680-T707 PolarHBondContact O-N 3.44Å
681Y93.8Very high86.3Confident21 Ų2154 Ų548%0.08229%0.29CS..EExtended strand (participates in β ladder)trans-127.1147.3-179.4-67.5-89.3000111E645 H675 F676 S678 T707 V709E645-Y681 PolarHBondContact OE2-OH 3.32Å; H675-Y681 AromaticContact CD2-CE2 3.88Å; H675-Y681 AromaticContact NE2-CE2 3.88Å; F676-Y681 HydrophobicContact CD1-CD1 4.02Å; F676-Y681 AromaticContact CD1-CD2 3.85Å; F676-Y681 HydrophobicContact CD1-CD2 3.85Å; F676-Y681 AromaticContact CD1-CE1 3.89Å; F676-Y681 HydrophobicContact CD1-CE1 3.89Å; F676-Y681 AromaticContact CD1-CE2 3.71Å; F676-Y681 HydrophobicContact CD1-CE2 3.71Å; F676-Y681 AromaticContact CD1-CG 4Å; F676-Y681 HydrophobicContact CD1-CG 4Å; F676-Y681 AromaticContact CD1-CZ 3.73Å; F676-Y681 HydrophobicContact CE1-CD1 4.44Å; F676-Y681 AromaticContact CE1-CE1 3.88Å; F676-Y681 HydrophobicContact CE1-CE1 3.88Å; F676-Y681 HydrophobicContact CE1-CE2 4.03Å; F676-Y681 AromaticContact CE1-CZ 3.65Å; S678-Y681 PolarHBondContact O-N 3.23Å; Y681-T707 WeakPolarHBondContact CA-O 3.48Å; Y681-T707 HydrophobicContact CD1-CG2 4.04Å; Y681-T707 HydrophobicContact CE1-CG2 3.97Å; Y681-V709 HydrophobicContact CD1-CG2 3.97Å
682Q94.9Very high85.2Confident72 Ų7256.3 Ų56.334%0.33630%0.296SS..EExtended strand (participates in β ladder)trans-124104.4171.4-172.6173.3-14.600108.8L684 V702 V706 T707 V709Q682-L684 HydrophobicContact CG-CD1 4.49Å; Q682-L684 HydrophobicContact CG-CD2 4.09Å; Q682-L684 HydrophobicContact CG-CG 4.14Å; Q682-V702 HydrophobicContact CB-CG1 4.39Å; Q682-V702 VanDerWaalsContact OE1-CG1 3.31Å; Q682-V706 HydrophobicContact CB-CG1 4.08Å; Q682-T707 PolarHBondContact N-O 3.18Å; Q682-V709 PolarHBondContact O-N 3.39Å
683I95.3Very high84.3Confident22 Ų2254.9 Ų54.911%0.11329%0.287CS..EExtended strand (participates in β ladder)trans-90.8118.7-176.8-55.3155.1000108.4Q667 L670 E671 V709 L711Q667-I683 HydrophobicContact CB-CG2 4.42Å; Q667-I683 HydrophobicContact CG-CG2 3.99Å; L670-I683 HydrophobicContact CB-CD1 3.54Å; L670-I683 HydrophobicContact CB-CG1 4.41Å; E671-I683 HydrophobicContact CG-CD1 3.93Å; I683-V709 CarbonylContact C-O 3.57Å; I683-V709 WeakPolarHBondContact CA-O 3.34Å; I683-L711 HydrophobicContact CG2-CD1 3.72Å; I683-L711 HydrophobicContact CG2-CG 4.19Å
684L93.8Very high83.5Confident18 Ų1857.9 Ų57.99%0.09430%0.301CS..EExtended strand (participates in β ladder)trans-123.8117.7-174.4-63.8178.6000111Q682 K697 V698 K708 V709 I710 L711Q682-L684 HydrophobicContact CG-CD1 4.49Å; Q682-L684 HydrophobicContact CG-CD2 4.09Å; Q682-L684 HydrophobicContact CG-CG 4.14Å; L684-K697 HydrophobicContact CD1-CB 4.36Å; L684-K697 WeakPolarHBondContact CD1-O 3.4Å; L684-K697 HydrophobicContact CD2-CB 4.49Å; L684-V698 HydrophobicContact CB-CG1 4.35Å; L684-V698 HydrophobicContact CD1-CG1 4.48Å; L684-K708 HydrophobicContact CD1-CD 3.85Å; L684-K708 HydrophobicContact CD1-CG 4Å; L684-V709 PolarHBondContact N-O 3.16Å; L684-I710 CarbonylContact O-C 3.55Å; L684-I710 VanDerWaalsContact O-CA 3.31Å; L684-I710 WeakPolarHBondContact O-CA 3.47Å; L684-L711 PolarHBondContact O-N 3.25Å
685P90.4Very high83.1Confident20 Ų2053.3 Ų53.313%0.1327%0.269CS..EExtended strand (participates in β ladder)trans-75.2144.5171.831.8-34.2000111.2W660 I663 I690W660-P685 HydrophobicContact CZ3-CB 4.08Å; I663-P685 HydrophobicContact CG2-CB 3.65Å; P685-I690 HydrophobicContact CB-CD1 3.72Å; P685-I690 HydrophobicContact CG-CD1 3.99Å; P685-I690 WeakPolarHBondContact O-CD1 3.41Å
686L88.6Confident82.6Confident0 Ų058 Ų580%028%0.284CS..EExtended strand (participates in β ladder)trans-136102.2178.1-176.558.5000111.3Q695 V698 I710 L711 S712 T713 I715 A716 I722L686-Q695 HydrophobicContact CD1-CB 4.11Å; L686-Q695 HydrophobicContact CD1-CG 4.08Å; L686-V698 HydrophobicContact CB-CG1 4.24Å; L686-V698 HydrophobicContact CD1-CG1 4.06Å; L686-V698 HydrophobicContact CD1-CG2 4.3Å; L686-V698 HydrophobicContact CD2-CG1 4.25Å; L686-V698 HydrophobicContact CD2-CG2 4.08Å; L686-V698 HydrophobicContact CG-CG1 4.4Å; L686-I710 HydrophobicContact CB-CG2 3.92Å; L686-I710 HydrophobicContact CD2-CG2 4.02Å; L686-L711 PolarHBondContact N-O 2.76Å; L686-S712 VanDerWaalsContact O-CA 3.28Å; L686-S712 WeakPolarHBondContact O-CA 3.44Å; L686-S712 PolarHBondContact O-OG 3.06Å; L686-T713 PolarHBondContact O-N 2.76Å; L686-I715 HydrophobicContact CG-CG2 3.93Å; L686-A716 HydrophobicContact CD2-CB 4Å; L686-I722 HydrophobicContact CD2-CD1 4.2Å
687H84.4Confident82.2Confident20 Ų2062.4 Ų62.49%0.09330%0.303CS..  trans-150.4149-176.2-169.3-60.5000109.2W660 I663 Q689 I690 T713W660-H687 HydrophobicContact CE3-CB 3.96Å; W660-H687 HydrophobicContact CZ3-CB 4.38Å; W660-H687 PolarHBondContact N-CD2 2.94Å; W660-H687 VanDerWaalsContact N-CD2 3.3Å; W660-H687 PolarHBondContact N-NE2 3.32Å; I663-H687 HydrophobicContact CD1-CB 4.41Å; H687-Q689 PolarHBondContact ND1-N 3.42Å; H687-Q689 PolarHBondContact O-N 3.26Å; H687-I690 HydrophobicContact CB-CD1 3.91Å; H687-I690 HydrophobicContact CB-CG1 4.06Å; H687-I690 WeakPolarHBondContact O-CB 3.35Å; H687-I690 WeakPolarHBondContact O-CG1 3.37Å; H687-I690 PolarHBondContact O-N 2.76Å; H687-T713 WeakPolarHBondContact CD2-CG2 3.32Å
688S71.4Confident82.3Confident76 Ų7660.1 Ų60.153%0.53128%0.28SS..THydrogen-bonded Turntrans-57.9-3.1178.458.10000116.9
689Q64Low82.1Confident75 Ų7561.6 Ų61.635%0.3528%0.282SS..THydrogen-bonded Turntrans-106.8-5.2-179.5-58-171.8-28.800112.5H687 P890 N946H687-Q689 PolarHBondContact ND1-N 3.42Å; H687-Q689 PolarHBondContact O-N 3.26Å; Q689-P890 HydrophobicContact CB-CG 4.16Å; Q689-P890 HydrophobicContact CG-CB 4.22Å; Q689-P890 HydrophobicContact CG-CG 3.54Å; Q689-N946 PolarHBondContact O-ND2 3.34Å
690I70.1Confident82Confident7 Ų757.1 Ų57.14%0.03626%0.264CS..SBendtrans-82.2144.7179.2-61.9177.3000109.1W660 P685 H687 E694 Q695W660-I690 HydrophobicContact CE3-CG1 4.48Å; W660-I690 HydrophobicContact CH2-CD1 4.42Å; W660-I690 HydrophobicContact CH2-CG1 4.16Å; W660-I690 HydrophobicContact CZ3-CD1 3.71Å; W660-I690 HydrophobicContact CZ3-CG1 3.68Å; P685-I690 HydrophobicContact CB-CD1 3.72Å; P685-I690 HydrophobicContact CG-CD1 3.99Å; P685-I690 WeakPolarHBondContact O-CD1 3.41Å; H687-I690 HydrophobicContact CB-CD1 3.91Å; H687-I690 HydrophobicContact CB-CG1 4.06Å; H687-I690 WeakPolarHBondContact O-CB 3.35Å; H687-I690 WeakPolarHBondContact O-CG1 3.37Å; H687-I690 PolarHBondContact O-N 2.76Å; I690-E694 HydrophobicContact CG2-CB 3.4Å; I690-E694 VanDerWaalsContact CG2-CB 3.4Å; I690-E694 HydrophobicContact CG2-CG 4.47Å; I690-E694 WeakPolarHBondContact CG2-OE2 3.42Å; I690-Q695 HydrophobicContact CB-CG 4Å; I690-Q695 HydrophobicContact CG2-CG 4.02Å; I690-Q695 PolarHBondContact O-NE2 3.05Å
691P64.3Low81.8Confident29 Ų2958.2 Ų58.219%0.18828%0.283CS..  trans-49.1143.9170.3-29.736.8000114.2E693 E694 Q695 A948P691-E693 VanDerWaalsContact C-N 3.26Å; P691-E693 PolarHBondContact O-N 3.41Å; P691-E694 HydrophobicContact CB-CB 4.37Å; P691-E694 HydrophobicContact CB-CG 4.45Å; P691-E694 PolarHBondContact O-N 3.29Å; P691-E694 VanDerWaalsContact O-N 3.07Å; P691-Q695 PolarHBondContact O-N 3.41Å; P691-A948 HydrophobicContact CB-CB 3.67Å; P691-A948 HydrophobicContact CG-CB 3.85Å
692R67.5Low81.6Confident117 Ų11758.7 Ų58.744%0.44229%0.289SS..Hα-helixtrans-57.4-39.8179.7-180178.7173.4-174.2-2.3112.2V451 E455 E476 E694 Q695 R696V451-R692 VanDerWaalsContact CG1-NH2 3.35Å; E455-R692 IonicContact OE1-NH2 3.09Å; E455-R692 PolarHBondContact OE1-NH2 2.99Å; E455-R692 VanDerWaalsContact OE1-NH2 3.12Å; E476-R692 IonicContact OE1-CZ 3.83Å; E476-R692 IonicContact OE1-NH1 3.12Å; E476-R692 PolarHBondContact OE1-NH1 3.31Å; E476-R692 IonicContact OE1-NH2 2.64Å; E476-R692 IonicContact OE2-NH1 3.56Å; E476-R692 PolarHBondContact OE2-NH1 3.42Å; R692-E694 VanDerWaalsContact C-N 3.32Å; R692-E694 PolarHBondContact O-N 3.14Å; R692-Q695 CarbonylContact O-C 3.57Å; R692-Q695 PolarHBondContact O-N 3.07Å; R692-R696 PolarHBondContact O-N 3.27Å
693E70.9Confident81.4Confident122 Ų12259.4 Ų59.457%0.5730%0.299SS*.Hα-helixtrans-61.3-38.8177.1-67.4160.4-143.600112.3P691 R696 K697 R951P691-E693 VanDerWaalsContact C-N 3.26Å; P691-E693 PolarHBondContact O-N 3.41Å; E693-R696 PolarHBondContact O-N 2.78Å; E693-K697 PolarHBondContact O-N 2.74Å; E693-R951 IonicContact OE1-NH1 2.78Å
694E74.4Confident80.9Confident91 Ų9165.9 Ų65.943%0.42534%0.34SS..Hα-helixtrans-73.8-37.3174.5-76-178.2-175.500112.2I690 P691 R692 R696 K697I690-E694 HydrophobicContact CG2-CB 3.4Å; I690-E694 VanDerWaalsContact CG2-CB 3.4Å; I690-E694 HydrophobicContact CG2-CG 4.47Å; I690-E694 WeakPolarHBondContact CG2-OE2 3.42Å; P691-E694 HydrophobicContact CB-CB 4.37Å; P691-E694 HydrophobicContact CB-CG 4.45Å; P691-E694 PolarHBondContact O-N 3.29Å; P691-E694 VanDerWaalsContact O-N 3.07Å; R692-E694 VanDerWaalsContact C-N 3.32Å; R692-E694 PolarHBondContact O-N 3.14Å; E694-R696 PolarHBondContact O-N 2.91Å; E694-K697 WeakPolarHBondContact O-CB 3.24Å; E694-K697 PolarHBondContact O-N 2.81Å
695Q80.4Confident80.5Confident23 Ų2368.1 Ų68.111%0.10737%0.367CS..Hα-helixtrans-61.6-34169.9-65.1-17646.800111.4L686 I690 P691 R692 K697 V698L686-Q695 HydrophobicContact CD1-CB 4.11Å; L686-Q695 HydrophobicContact CD1-CG 4.08Å; I690-Q695 HydrophobicContact CB-CG 4Å; I690-Q695 HydrophobicContact CG2-CG 4.02Å; I690-Q695 PolarHBondContact O-NE2 3.05Å; P691-Q695 PolarHBondContact O-N 3.41Å; R692-Q695 CarbonylContact O-C 3.57Å; R692-Q695 PolarHBondContact O-N 3.07Å; Q695-K697 VanDerWaalsContact C-N 3.33Å; Q695-K697 PolarHBondContact O-N 3.01Å; Q695-V698 WeakPolarHBondContact O-CG2 3.49Å; Q695-V698 PolarHBondContact O-N 3.21Å
696R81.3Confident80.6Confident155 Ų15568.7 Ų68.759%0.58537%0.37SS*.Hα-helixtrans-64.6-34.9178.9-168.4175.6-177.5163.55112.5R692 E693 E694 V698 F699R692-R696 PolarHBondContact O-N 3.27Å; E693-R696 PolarHBondContact O-N 2.78Å; E694-R696 PolarHBondContact O-N 2.91Å; R696-V698 PolarHBondContact O-N 3.18Å; R696-F699 WeakPolarHBondContact O-CD2 3.46Å; R696-F699 PolarHBondContact O-N 2.76Å
697K85.5Confident80.8Confident96 Ų9670.6 Ų70.642%0.41738%0.382SS..THydrogen-bonded Turntrans-57-18.2179-66.1173.2-172.7171.60114.6L684 E693 E694 Q695 F699 D700L684-K697 HydrophobicContact CD1-CB 4.36Å; L684-K697 WeakPolarHBondContact CD1-O 3.4Å; L684-K697 HydrophobicContact CD2-CB 4.49Å; E693-K697 PolarHBondContact O-N 2.74Å; E694-K697 WeakPolarHBondContact O-CB 3.24Å; E694-K697 PolarHBondContact O-N 2.81Å; Q695-K697 VanDerWaalsContact C-N 3.33Å; Q695-K697 PolarHBondContact O-N 3.01Å; K697-F699 VanDerWaalsContact C-N 3.32Å; K697-D700 WeakPolarHBondContact CA-OD2 3.34Å
698V88.8Confident81.4Confident0 Ų069.7 Ų69.70%038%0.378CS..THydrogen-bonded Turntrans-73.4-25.3176.6-480000112.7L684 L686 Q695 R696 K708 I710 I722L684-V698 HydrophobicContact CB-CG1 4.35Å; L684-V698 HydrophobicContact CD1-CG1 4.48Å; L686-V698 HydrophobicContact CB-CG1 4.24Å; L686-V698 HydrophobicContact CD1-CG1 4.06Å; L686-V698 HydrophobicContact CD1-CG2 4.3Å; L686-V698 HydrophobicContact CD2-CG1 4.25Å; L686-V698 HydrophobicContact CD2-CG2 4.08Å; L686-V698 HydrophobicContact CG-CG1 4.4Å; Q695-V698 WeakPolarHBondContact O-CG2 3.49Å; Q695-V698 PolarHBondContact O-N 3.21Å; R696-V698 PolarHBondContact O-N 3.18Å; V698-K708 PolarHBondContact O-NZ 3.23Å; V698-I710 HydrophobicContact CB-CD1 4.25Å; V698-I710 HydrophobicContact CG1-CG2 4.23Å; V698-I722 HydrophobicContact CB-CD1 4.17Å; V698-I722 HydrophobicContact CG2-CD1 3.72Å; V698-I722 HydrophobicContact CG2-CG1 4.32Å; V698-I722 WeakPolarHBondContact O-CG2 3.24Å
699F86.2Confident82.6Confident65 Ų6566.1 Ų66.129%0.28535%0.352SS..THydrogen-bonded Turntrans-82.7-28177.8-58.6-77.4000112.4I448 R696 K697 I720 T721 I722I448-F699 HydrophobicContact CD1-CE2 4.44Å; I448-F699 HydrophobicContact CD1-CZ 4.44Å; R696-F699 WeakPolarHBondContact O-CD2 3.46Å; R696-F699 PolarHBondContact O-N 2.76Å; K697-F699 VanDerWaalsContact C-N 3.32Å; F699-I720 HydrophobicContact CE1-CG2 3.48Å; F699-I720 VanDerWaalsContact CE1-CG2 3.48Å; F699-I720 HydrophobicContact CZ-CG2 3.57Å; F699-T721 WeakPolarHBondContact CD1-O 3.38Å; F699-T721 WeakPolarHBondContact CE1-O 3.41Å; F699-I722 HydrophobicContact CD1-CG1 4.3Å; F699-I722 HydrophobicContact CE1-CG1 4.2Å
700D86.9Confident84.2Confident76 Ų7662.5 Ų62.541%0.40634%0.336SS..SBendtrans-63.5141.7-178.6-59.8-29.6000111.2K697 K708K697-D700 WeakPolarHBondContact CA-OD2 3.34Å; D700-K708 PolarHBondContact O-NZ 3.46Å
701P85.7Confident85.4Confident117 Ų11762.2 Ų62.276%0.7633%0.334SS*.PPolyproline II helixtrans-71.4147173.230.7-34.3000110.6
702V88.6Confident86.9Confident32 Ų3260.8 Ų60.819%0.19433%0.325CS..PPolyproline II helixtrans-93.1155.4174.2-650000111.7Q682 V706 K708Q682-V702 HydrophobicContact CB-CG1 4.39Å; Q682-V702 VanDerWaalsContact OE1-CG1 3.31Å; V702-V706 HydrophobicContact CB-CB 4.22Å; V702-V706 HydrophobicContact CB-CG1 4.23Å; V702-V706 HydrophobicContact CG2-CB 4.34Å; V702-V706 WeakPolarHBondContact CG2-O 3.39Å; V702-K708 HydrophobicContact CG1-CB 3.71Å; V702-K708 HydrophobicContact CG1-CD 3.94Å; V702-K708 HydrophobicContact CG1-CG 4.04Å; V702-K708 HydrophobicContact CG2-CB 4.15Å
703P90.1Very high88Confident86 Ų8655.6 Ų55.656%0.55831%0.306SS*.PPolyproline II helixtrans-58.1152.8177-24.434.6000113.2G705 V706P703-G705 PolarHBondContact O-N 2.63Å; P703-V706 HydrophobicContact CB-CG2 4.04Å; P703-V706 HydrophobicContact CG-CG2 4.38Å; P703-V706 WeakPolarHBondContact O-CB 3.45Å; P703-V706 PolarHBondContact O-N 3.19Å
704V85.5Confident88.8Confident158 Ų15852.6 Ų52.696%0.95829%0.294SS*.THydrogen-bonded Turntrans-57.3126.7178.5-178.30000110.4
705G85.2Confident89.3Confident65 Ų6548.9 Ų48.967%0.6728%0.277SS*.THydrogen-bonded Turntrans90.2-1.6-177.200000115.2P703P703-G705 PolarHBondContact O-N 2.63Å
706V92.6Very high89.6Confident32 Ų3247.9 Ų47.919%0.19427%0.273CS..PPolyproline II helixtrans-99.1136.9171.9-176.10000110R680 Q682 V702 P703R680-V706 CarbonylContact O-C 3.57Å; R680-V706 WeakPolarHBondContact O-CA 3.47Å; Q682-V706 HydrophobicContact CB-CG1 4.08Å; V702-V706 HydrophobicContact CB-CB 4.22Å; V702-V706 HydrophobicContact CB-CG1 4.23Å; V702-V706 HydrophobicContact CG2-CB 4.34Å; V702-V706 WeakPolarHBondContact CG2-O 3.39Å; P703-V706 HydrophobicContact CB-CG2 4.04Å; P703-V706 HydrophobicContact CG-CG2 4.38Å; P703-V706 WeakPolarHBondContact O-CB 3.45Å; P703-V706 PolarHBondContact O-N 3.19Å
707T93.9Very high89.8Confident40 Ų4040.8 Ų40.825%0.24525%0.246CC..EExtended strand (participates in β ladder)trans-102.4120173.8-63.30000110.7V653 R680 Y681 Q682 V709V653-T707 HydrophobicContact CG2-CG2 4.35Å; R680-T707 PolarHBondContact O-N 3.44Å; Y681-T707 WeakPolarHBondContact CA-O 3.48Å; Y681-T707 HydrophobicContact CD1-CG2 4.04Å; Y681-T707 HydrophobicContact CE1-CG2 3.97Å; Q682-T707 PolarHBondContact N-O 3.18Å; T707-V709 HydrophobicContact CG2-CG2 4.37Å
708K96.1Very high89.3Confident1 Ų136.2 Ų36.20%0.00423%0.227CC..EExtended strand (participates in β ladder)trans-77.4128.5174-169.1168.546.8-179.30110.3A652 V653 L684 V698 D700 V702 I710 D724A652-K708 WeakPolarHBondContact CA-O 3.23Å; A652-K708 HydrophobicContact CB-CB 3.91Å; V653-K708 PolarHBondContact N-O 2.86Å; L684-K708 HydrophobicContact CD1-CD 3.85Å; L684-K708 HydrophobicContact CD1-CG 4Å; V698-K708 PolarHBondContact O-NZ 3.23Å; D700-K708 PolarHBondContact O-NZ 3.46Å; V702-K708 HydrophobicContact CG1-CB 3.71Å; V702-K708 HydrophobicContact CG1-CD 3.94Å; V702-K708 HydrophobicContact CG1-CG 4.04Å; V702-K708 HydrophobicContact CG2-CB 4.15Å; K708-I710 HydrophobicContact CD-CD1 4.18Å; K708-I710 HydrophobicContact CD-CG1 4.27Å; K708-I710 HydrophobicContact CG-CD1 4.3Å; K708-I710 HydrophobicContact CG-CG1 3.97Å; K708-D724 VanDerWaalsContact CE-CG 3.49Å; K708-D724 VanDerWaalsContact CE-OD1 3.26Å; K708-D724 WeakPolarHBondContact CE-OD1 3.2Å; K708-D724 WeakPolarHBondContact CE-OD2 3.19Å; K708-D724 VanDerWaalsContact NZ-CG 3.26Å; K708-D724 IonicContact NZ-OD1 3.97Å; K708-D724 PolarHBondContact NZ-OD1 3.28Å; K708-D724 IonicContact NZ-OD2 3.45Å; K708-D724 PolarHBondContact NZ-OD2 3.24Å
709V97.2Very high88.3Confident1 Ų136.6 Ų36.61%0.00623%0.229CC..EExtended strand (participates in β ladder)trans-122.5110.9176.6-179.10000108.8L641 V653 V655 L670 Y681 Q682 I683 L684 T707 L711L641-V709 HydrophobicContact CD2-CG1 4.29Å; L641-V709 HydrophobicContact CD2-CG2 4.21Å; V653-V709 HydrophobicContact CB-CG2 4.43Å; V653-V709 CarbonylContact O-C 3.55Å; V653-V709 WeakPolarHBondContact O-CA 3.5Å; V655-V709 HydrophobicContact CG2-CG1 4.35Å; L670-V709 HydrophobicContact CD1-CG1 4.4Å; Y681-V709 HydrophobicContact CD1-CG2 3.97Å; Q682-V709 PolarHBondContact O-N 3.39Å; I683-V709 CarbonylContact C-O 3.57Å; I683-V709 WeakPolarHBondContact CA-O 3.34Å; L684-V709 PolarHBondContact N-O 3.16Å; T707-V709 HydrophobicContact CG2-CG2 4.37Å; V709-L711 HydrophobicContact CG1-CD2 4.14Å
710I96.9Very high87.7Confident0 Ų033.6 Ų33.60%022%0.216CC..EExtended strand (participates in β ladder)trans-103.4121.2-173.5-56.6163.5000108.9V653 L654 V655 L684 L686 V698 K708 I722 V725V653-I710 PolarHBondContact O-N 2.99Å; L654-I710 HydrophobicContact CD1-CB 3.87Å; L654-I710 HydrophobicContact CD1-CG2 3.69Å; V655-I710 PolarHBondContact N-O 3.33Å; L684-I710 CarbonylContact O-C 3.55Å; L684-I710 VanDerWaalsContact O-CA 3.31Å; L684-I710 WeakPolarHBondContact O-CA 3.47Å; L686-I710 HydrophobicContact CB-CG2 3.92Å; L686-I710 HydrophobicContact CD2-CG2 4.02Å; V698-I710 HydrophobicContact CB-CD1 4.25Å; V698-I710 HydrophobicContact CG1-CG2 4.23Å; K708-I710 HydrophobicContact CD-CD1 4.18Å; K708-I710 HydrophobicContact CD-CG1 4.27Å; K708-I710 HydrophobicContact CG-CD1 4.3Å; K708-I710 HydrophobicContact CG-CG1 3.97Å; I710-I722 HydrophobicContact CD1-CD1 3.86Å; I710-I722 HydrophobicContact CD1-CG2 3.93Å; I710-V725 HydrophobicContact CD1-CG2 4.49Å
711L96.2Very high87Confident0 Ų032.7 Ų32.70%021%0.213CC..EExtended strand (participates in β ladder)trans-104.799.9-178.7-56.9-179.9000109.2V655 I663 M666 Q667 L670 I683 L684 L686 V709V655-L711 HydrophobicContact CB-CD2 3.74Å; V655-L711 HydrophobicContact CG1-CD2 4.31Å; V655-L711 HydrophobicContact CG2-CD2 3.77Å; I663-L711 HydrophobicContact CG1-CB 4.49Å; I663-L711 HydrophobicContact CG2-CB 3.94Å; I663-L711 WeakPolarHBondContact CG2-O 3.33Å; M666-L711 HydrophobicContact CB-CD1 4.25Å; M666-L711 HydrophobicContact CG-CD1 4.26Å; M666-L711 HydrophobicContact CG-CD2 4.21Å; Q667-L711 HydrophobicContact CB-CD1 3.74Å; L670-L711 HydrophobicContact CD1-CD2 4.5Å; I683-L711 HydrophobicContact CG2-CD1 3.72Å; I683-L711 HydrophobicContact CG2-CG 4.19Å; L684-L711 PolarHBondContact O-N 3.25Å; L686-L711 PolarHBondContact N-O 2.76Å; V709-L711 HydrophobicContact CG1-CD2 4.14Å
712S94.2Very high86.9Confident0 Ų027.5 Ų27.50%018%0.179CC..EExtended strand (participates in β ladder)trans-120.7155.6-165-171.40000114.5V655 F656 L657 L686 I715 A716V655-S712 PolarHBondContact O-N 2.86Å; F656-S712 CarbonylContact C-O 3.06Å; F656-S712 WeakPolarHBondContact CA-O 3.43Å; L657-S712 PolarHBondContact N-O 3.05Å; L686-S712 VanDerWaalsContact O-CA 3.28Å; L686-S712 WeakPolarHBondContact O-CA 3.44Å; L686-S712 PolarHBondContact O-OG 3.06Å; S712-I715 WeakPolarHBondContact OG-CG2 3.3Å; S712-A716 VanDerWaalsContact OG-CB 3.28Å; S712-A716 WeakPolarHBondContact OG-CB 3.48Å
713T91.6Very high86.5Confident8 Ų830.2 Ų30.25%0.04919%0.193CC..  trans-86.1-170.3158.971.10000111.2F656 L657 I663 L686 H687 I715 A716F656-T713 WeakPolarHBondContact CD1-O 3.16Å; F656-T713 WeakPolarHBondContact CE1-O 3.39Å; L657-T713 WeakPolarHBondContact O-CA 3.38Å; I663-T713 HydrophobicContact CD1-CG2 3.59Å; L686-T713 PolarHBondContact O-N 2.76Å; H687-T713 WeakPolarHBondContact CD2-CG2 3.32Å; T713-I715 PolarHBondContact O-N 2.73Å; T713-I715 WeakPolarHBondContact OG1-CG2 3.46Å; T713-I715 PolarHBondContact OG1-N 2.75Å; T713-A716 PolarHBondContact O-N 3.02Å
714N87.3Confident86.5Confident58 Ų5828 Ų2831%0.3118%0.176SC..G310 helixtrans-58.43.1166.670.3-28000115A716 E717N714-A716 VanDerWaalsContact C-N 3.26Å; N714-A716 PolarHBondContact O-N 3.45Å; N714-E717 HydrophobicContact CB-CB 4.14Å; N714-E717 WeakPolarHBondContact CB-OE2 3.44Å; N714-E717 VanDerWaalsContact O-CB 3.26Å; N714-E717 WeakPolarHBondContact O-CB 3.49Å; N714-E717 PolarHBondContact O-N 3.4Å
715I84.3Confident86.9Confident13 Ų1320.6 Ų20.67%0.06713%0.131CC..G310 helixtrans-62.7-33.4169.5-169.8166.4000112.1I448 L686 S712 T713 E717 I720I448-I715 HydrophobicContact CG2-CD1 4.17Å; I448-I715 HydrophobicContact CG2-CG1 4.08Å; L686-I715 HydrophobicContact CG-CG2 3.93Å; S712-I715 WeakPolarHBondContact OG-CG2 3.3Å; T713-I715 PolarHBondContact O-N 2.73Å; T713-I715 WeakPolarHBondContact OG1-CG2 3.46Å; T713-I715 PolarHBondContact OG1-N 2.75Å; I715-E717 VanDerWaalsContact C-N 3.33Å; I715-I720 HydrophobicContact CG1-CD1 4.13Å; I715-I720 WeakPolarHBondContact O-CD1 3.29Å
716A87.3Confident87.3Confident2 Ų217.5 Ų17.52%0.01710%0.099CC..G310 helixtrans-87.63.717600000113.9L654 F656 L686 S712 T713 N714 R764L654-A716 HydrophobicContact CD1-CB 4.26Å; L654-A716 HydrophobicContact CD2-CB 4.26Å; F656-A716 HydrophobicContact CE1-CB 4.02Å; F656-A716 HydrophobicContact CZ-CB 4.14Å; L686-A716 HydrophobicContact CD2-CB 4Å; S712-A716 VanDerWaalsContact OG-CB 3.28Å; S712-A716 WeakPolarHBondContact OG-CB 3.48Å; T713-A716 PolarHBondContact O-N 3.02Å; N714-A716 VanDerWaalsContact C-N 3.26Å; N714-A716 PolarHBondContact O-N 3.45Å; A716-R764 WeakPolarHBondContact O-CD 3.31Å; A716-R764 PolarHBondContact O-NE 2.71Å; A716-R764 PolarHBondContact O-NH1 2.62Å
717E85.2Confident87.5Confident6 Ų616.1 Ų16.13%0.0289%0.09CC..THydrogen-bonded Turntrans-80.7-34.2-170.6-172173.7127.500113.7F656 N714 I715 N757 Q760 R761 R764F656-E717 HydrophobicContact CE1-CB 4.12Å; N714-E717 HydrophobicContact CB-CB 4.14Å; N714-E717 WeakPolarHBondContact CB-OE2 3.44Å; N714-E717 VanDerWaalsContact O-CB 3.26Å; N714-E717 WeakPolarHBondContact O-CB 3.49Å; N714-E717 PolarHBondContact O-N 3.4Å; I715-E717 VanDerWaalsContact C-N 3.33Å; E717-N757 WeakPolarHBondContact OE1-CA 3.45Å; E717-N757 VanDerWaalsContact OE1-CB 3.23Å; E717-N757 WeakPolarHBondContact OE1-CB 3.27Å; E717-N757 VanDerWaalsContact OE1-CG 3.31Å; E717-N757 PolarHBondContact OE1-ND2 3.49Å; E717-Q760 HydrophobicContact CG-CB 3.99Å; E717-R761 HydrophobicContact CG-CG 3.95Å; E717-R761 IonicContact OE2-CZ 3.79Å; E717-R761 IonicContact OE2-NE 3.82Å; E717-R761 PolarHBondContact OE2-NE 3.43Å; E717-R761 IonicContact OE2-NH2 2.69Å; E717-R761 PolarHBondContact OE2-NH2 3.11Å; E717-R764 VanDerWaalsContact C-CZ 3.49Å; E717-R764 PolarHBondContact O-NE 3.45Å; E717-R764 PolarHBondContact O-NH2 3.31Å
718T75.7Confident87.7Confident1 Ų114.2 Ų14.21%0.0068%0.079CC..SBendtrans-123.7153.8177.252.50000111R446 E512 E515 I720 R764R446-T718 PolarHBondContact NH1-OG1 3.3Å; E512-T718 WeakPolarHBondContact OE1-CB 3.05Å; E515-T718 HydrophobicContact CG-CG2 4.37Å; E515-T718 VanDerWaalsContact OE1-CB 3.22Å; E515-T718 WeakPolarHBondContact OE1-CB 3.37Å; E515-T718 VanDerWaalsContact OE1-CG2 3.24Å; E515-T718 WeakPolarHBondContact OE1-CG2 3.26Å; E515-T718 PolarHBondContact OE1-OG1 3Å; T718-I720 PolarHBondContact O-N 3.14Å; T718-R764 VanDerWaalsContact CA-NH2 3.32Å
719S67.4Low87.8Confident8 Ų814.1 Ų14.16%0.0568%0.079CC..SBendtrans47-10172.4240000122.2Q444 S449 E512Q444-S719 PolarHBondContact OE1-OG 2.98Å; S449-S719 WeakPolarHBondContact CB-OG 3.26Å; S449-S719 WeakPolarHBondContact OG-CB 3.25Å; S449-S719 PolarHBondContact OG-OG 2.97Å; E512-S719 WeakPolarHBondContact OE1-CA 3.19Å; E512-S719 WeakPolarHBondContact OE1-CB 3.11Å; E512-S719 PolarHBondContact OE1-N 3.09Å; E512-S719 PolarHBondContact OE1-OG 3.34Å
720I74.6Confident87.8Confident1 Ų114.1 Ų14.11%0.0058%0.078CC..  trans-87.4122.5175.1-60.2-170.6000111.4I448 F699 I715 T718 I722 R764I448-I720 HydrophobicContact CB-CD1 4.49Å; I448-I720 HydrophobicContact CD1-CD1 3.85Å; I448-I720 HydrophobicContact CG1-CD1 3.98Å; I448-I720 HydrophobicContact CG2-CD1 3.71Å; I448-I720 HydrophobicContact CG2-CG1 4.34Å; F699-I720 HydrophobicContact CE1-CG2 3.48Å; F699-I720 VanDerWaalsContact CE1-CG2 3.48Å; F699-I720 HydrophobicContact CZ-CG2 3.57Å; I715-I720 HydrophobicContact CG1-CD1 4.13Å; I715-I720 WeakPolarHBondContact O-CD1 3.29Å; T718-I720 PolarHBondContact O-N 3.14Å; I720-I722 HydrophobicContact CG2-CD1 4.47Å; I720-I722 HydrophobicContact CG2-CG1 3.98Å; I720-R764 PolarHBondContact O-NH1 3.36Å
721T71.1Confident87.7Confident57 Ų5714.2 Ų14.235%0.358%0.079SC..  trans-101.1107.6176.6-49.60000110.6F699 N723 R767F699-T721 WeakPolarHBondContact CD1-O 3.38Å; F699-T721 WeakPolarHBondContact CE1-O 3.41Å; T721-N723 WeakPolarHBondContact CG2-OD1 3.46Å; T721-R767 PolarHBondContact OG1-NH1 3.44Å
722I84.8Confident87.6Confident8 Ų814.2 Ų14.24%0.0418%0.079CC..  trans-104.4106.9169.3-50.8-177.9000106.9L686 V698 F699 I710 I720 D724 V725L686-I722 HydrophobicContact CD2-CD1 4.2Å; V698-I722 HydrophobicContact CB-CD1 4.17Å; V698-I722 HydrophobicContact CG2-CD1 3.72Å; V698-I722 HydrophobicContact CG2-CG1 4.32Å; V698-I722 WeakPolarHBondContact O-CG2 3.24Å; F699-I722 HydrophobicContact CD1-CG1 4.3Å; F699-I722 HydrophobicContact CE1-CG1 4.2Å; I710-I722 HydrophobicContact CD1-CD1 3.86Å; I710-I722 HydrophobicContact CD1-CG2 3.93Å; I720-I722 HydrophobicContact CG2-CD1 4.47Å; I720-I722 HydrophobicContact CG2-CG1 3.98Å; I722-D724 WeakPolarHBondContact CG2-OD1 3.45Å; I722-D724 PolarHBondContact O-N 2.72Å; I722-V725 HydrophobicContact CB-CG2 3.82Å; I722-V725 HydrophobicContact CG2-CG2 3.75Å
723N80.4Confident87.4Confident90 Ų9015 Ų1548%0.4818%0.082SC..THydrogen-bonded Turntrans-68.4-30.1-162.2-68.6-16.8000113.9T721 V768T721-N723 WeakPolarHBondContact CG2-OD1 3.46Å; N723-V768 HydrophobicContact CB-CG1 4.39Å; N723-V768 VanDerWaalsContact O-CG1 3.3Å; N723-V768 WeakPolarHBondContact O-CG1 3.46Å; N723-V768 WeakPolarHBondContact O-CG2 3.44Å
724D89.3Confident87.1Confident39 Ų3914.9 Ų14.921%0.2098%0.082CC..THydrogen-bonded Turntrans-93.92.6-171.863.8-33.2000114.9A652 K708 I722 V726A652-D724 PolarHBondContact N-O 2.96Å; K708-D724 VanDerWaalsContact CE-CG 3.49Å; K708-D724 VanDerWaalsContact CE-OD1 3.26Å; K708-D724 WeakPolarHBondContact CE-OD1 3.2Å; K708-D724 WeakPolarHBondContact CE-OD2 3.19Å; K708-D724 VanDerWaalsContact NZ-CG 3.26Å; K708-D724 IonicContact NZ-OD1 3.97Å; K708-D724 PolarHBondContact NZ-OD1 3.28Å; K708-D724 IonicContact NZ-OD2 3.45Å; K708-D724 PolarHBondContact NZ-OD2 3.24Å; I722-D724 WeakPolarHBondContact CG2-OD1 3.45Å; I722-D724 PolarHBondContact O-N 2.72Å; D724-V726 PolarHBondContact O-N 2.92Å
725V92.9Very high86.9Confident3 Ų317.4 Ų17.42%0.0189%0.09CC..EExtended strand (participates in β ladder)trans-66.8126.7176.61790000110.9A652 L654 I710 I722 V728A652-V725 HydrophobicContact CB-CG2 4.32Å; L654-V725 HydrophobicContact CB-CG1 3.88Å; L654-V725 HydrophobicContact CB-CG2 4.27Å; I710-V725 HydrophobicContact CD1-CG2 4.49Å; I722-V725 HydrophobicContact CB-CG2 3.82Å; I722-V725 HydrophobicContact CG2-CG2 3.75Å; V725-V728 HydrophobicContact CG1-CG2 4.2Å
726V94.9Very high86.5Confident0 Ų017.6 Ų17.60%09%0.091CC..EExtended strand (participates in β ladder)trans-123.5-28175.1174.40000111.1V649 A652 D724 A765 R769 G771 F772V649-V726 HydrophobicContact CG1-CG1 4.35Å; A652-V726 PolarHBondContact O-N 3.09Å; D724-V726 PolarHBondContact O-N 2.92Å; V726-A765 WeakPolarHBondContact O-CB 3.48Å; V726-R769 HydrophobicContact CG2-CG 4.24Å; V726-G771 CarbonylContact O-C 3.52Å; V726-G771 WeakPolarHBondContact O-CA 3.4Å; V726-F772 HydrophobicContact CG1-CD2 4.25Å; V726-F772 HydrophobicContact CG1-CE2 4.47Å; V726-F772 PolarHBondContact O-N 2.86Å
727Y97.1Very high85.9Confident2 Ų221.8 Ų21.81%0.00811%0.109CC..EExtended strand (participates in β ladder)trans-117.4129.7-176.2-55.5-80.1000109.8I644 L647 V649 A652 V653 L654 F772 F774I644-Y727 HydrophobicContact CB-CE1 4.47Å; I644-Y727 HydrophobicContact CD1-CD1 4.09Å; I644-Y727 HydrophobicContact CD1-CG 4.11Å; I644-Y727 HydrophobicContact CG1-CD1 3.86Å; I644-Y727 HydrophobicContact CG1-CE1 4.14Å; I644-Y727 HydrophobicContact CG1-CG 4.28Å; I644-Y727 HydrophobicContact CG2-CD1 3.95Å; I644-Y727 HydrophobicContact CG2-CD2 3.76Å; I644-Y727 HydrophobicContact CG2-CE1 3.82Å; I644-Y727 HydrophobicContact CG2-CE2 3.62Å; I644-Y727 HydrophobicContact CG2-CG 3.91Å; L647-Y727 HydrophobicContact CD1-CE1 3.85Å; V649-Y727 WeakPolarHBondContact CB-OH 3.26Å; V649-Y727 PolarHBondContact O-OH 3Å; A652-Y727 PolarHBondContact O-N 3.03Å; V653-Y727 CarbonylContact C-O 3.37Å; V653-Y727 WeakPolarHBondContact CA-O 3.38Å; V653-Y727 HydrophobicContact CG2-CD2 4.08Å; V653-Y727 HydrophobicContact CG2-CG 4.35Å; L654-Y727 PolarHBondContact N-O 3.49Å; Y727-F772 WeakPolarHBondContact CA-O 3.49Å; Y727-F772 HydrophobicContact CD1-CB 4.02Å; Y727-F772 AromaticContact CD1-CD2 3.63Å; Y727-F772 HydrophobicContact CD1-CD2 3.63Å; Y727-F772 HydrophobicContact CD1-CG 4.19Å; Y727-F772 HydrophobicContact CE1-CB 4.47Å; Y727-F772 AromaticContact CE1-CD2 3.3Å; Y727-F772 HydrophobicContact CE1-CD2 3.3Å; Y727-F772 AromaticContact CE1-CE2 3.79Å; Y727-F772 HydrophobicContact CE1-CE2 3.79Å; Y727-F772 HydrophobicContact CE1-CG 4.14Å; Y727-F774 HydrophobicContact CD1-CE2 4.18Å
728V97.3Very high85.4Confident0 Ų022.4 Ų22.40%011%0.113CC..EExtended strand (participates in β ladder)trans-116130169.9169.60000108.7L654 F656 V725 R761 R764 A765 F772 C773 F774L654-V728 HydrophobicContact CB-CG2 4.37Å; L654-V728 CarbonylContact O-C 3.54Å; L654-V728 VanDerWaalsContact O-CA 3.31Å; L654-V728 WeakPolarHBondContact O-CA 3.34Å; F656-V728 HydrophobicContact CD2-CG1 3.96Å; F656-V728 HydrophobicContact CE2-CG1 4.07Å; V725-V728 HydrophobicContact CG1-CG2 4.2Å; V728-R761 HydrophobicContact CG1-CB 4.46Å; V728-R761 WeakPolarHBondContact CG2-O 3.4Å; V728-R764 HydrophobicContact CG2-CB 4Å; V728-A765 HydrophobicContact CB-CB 4.48Å; V728-A765 HydrophobicContact CG2-CB 3.88Å; V728-F772 PolarHBondContact N-O 2.74Å; V728-C773 HydrophobicContact CB-CB 4.44Å; V728-C773 CarbonylContact O-C 3.57Å; V728-C773 WeakPolarHBondContact O-CA 3.4Å; V728-F774 WeakPolarHBondContact O-CD2 3.46Å; V728-F774 PolarHBondContact O-N 2.92Å
729I98.2Very high85.1Confident0 Ų024.6 Ų24.60%012%0.122CC..EExtended strand (participates in β ladder)trans-115.2109.6169.7-57.7175.9000106.8I637 L640 L641 I644 V653 L654 V655 F656 F774 L776I637-I729 HydrophobicContact CG1-CG2 4.22Å; I637-I729 HydrophobicContact CG2-CD1 4.27Å; L640-I729 HydrophobicContact CB-CD1 4.09Å; L640-I729 HydrophobicContact CD1-CG2 4.33Å; L641-I729 HydrophobicContact CD2-CD1 4.28Å; L641-I729 HydrophobicContact CG-CD1 4.33Å; I644-I729 HydrophobicContact CD1-CD1 4.06Å; I644-I729 HydrophobicContact CD1-CG1 4.46Å; V653-I729 HydrophobicContact CG1-CD1 3.88Å; V653-I729 HydrophobicContact CG1-CG1 4.1Å; L654-I729 PolarHBondContact O-N 3.3Å; V655-I729 CarbonylContact C-O 3.5Å; V655-I729 VanDerWaalsContact CA-O 3.29Å; V655-I729 WeakPolarHBondContact CA-O 3.3Å; V655-I729 HydrophobicContact CG1-CB 4.24Å; V655-I729 HydrophobicContact CG1-CG2 4.35Å; V655-I729 HydrophobicContact CG2-CB 4.31Å; V655-I729 HydrophobicContact CG2-CD1 4.4Å; F656-I729 PolarHBondContact N-O 3.08Å; I729-F774 HydrophobicContact CG1-CB 4.44Å; I729-F774 HydrophobicContact CG1-CD2 4.07Å; I729-L776 HydrophobicContact CG2-CD1 3.95Å; I729-L776 HydrophobicContact CG2-CD2 4.43Å; I729-L776 HydrophobicContact CG2-CG 4.22Å
730D97.4Very high85.4Confident0 Ų024.5 Ų24.50%012%0.121CC..EExtended strand (participates in β ladder)trans-101.5120.9-178.9-171.814.7000111.4F656 C732 L758 R761 F774 L776F656-D730 WeakPolarHBondContact CB-OD1 3.49Å; D730-C732 PolarHBondContact O-N 3.16Å; D730-C732 PolarHBondContact O-SG 3.29Å; D730-C732 WeakPolarHBondContact OD1-CA 3.2Å; D730-C732 PolarHBondContact OD1-N 2.92Å; D730-L758 WeakPolarHBondContact OD2-CD1 3.37Å; D730-L758 WeakPolarHBondContact OD2-CG 3.43Å; D730-R761 WeakPolarHBondContact OD1-CD 3.41Å; D730-R761 IonicContact OD1-CZ 2.71Å; D730-R761 IonicContact OD1-NE 3.32Å; D730-R761 IonicContact OD1-NH1 3.29Å; D730-R761 PolarHBondContact OD1-NH1 2.88Å; D730-R761 WeakPolarHBondContact OD2-CD 3.46Å; D730-R761 IonicContact OD2-NH1 3.77Å; D730-F774 PolarHBondContact N-O 3.25Å; D730-L776 WeakPolarHBondContact O-CB 3.31Å; D730-L776 WeakPolarHBondContact O-CG 3.38Å; D730-L776 PolarHBondContact O-N 3.3Å
731S95Very high85Confident3 Ų326.2 Ų26.22%0.02114%0.136CC..  trans-68.9-3.6168.165.70000113.8F656 K733F656-S731 WeakPolarHBondContact O-CB 3.5Å; F656-S731 PolarHBondContact O-N 3.1Å; F656-S731 VanDerWaalsContact O-N 3.1Å; F656-S731 PolarHBondContact O-OG 3.3Å; S731-K733 WeakPolarHBondContact O-CG 3.17Å; S731-K733 PolarHBondContact O-N 3.11Å
732C94.2Very high85.1Confident0 Ų024 Ų240%012%0.121CC..  trans55.920.9-178.3-54.80000113.3D730 W752 A753 L758 C777D730-C732 PolarHBondContact O-N 3.16Å; D730-C732 PolarHBondContact O-SG 3.29Å; D730-C732 WeakPolarHBondContact OD1-CA 3.2Å; D730-C732 PolarHBondContact OD1-N 2.92Å; C732-W752 HydrophobicContact CB-CE3 4.07Å; C732-W752 HydrophobicContact CB-CZ3 4Å; C732-A753 WeakPolarHBondContact O-CB 3.46Å; C732-A753 PolarHBondContact O-N 3.03Å; C732-L758 HydrophobicContact CB-CD1 4.1Å; C732-L758 HydrophobicContact CB-CD2 4.37Å; C732-C777 HydrophobicContact CB-CB 4.22Å; C732-C777 VanDerWaalsContact SG-SG 3.7Å
733K89.7Confident84.4Confident15 Ų1523.7 Ų23.77%0.06512%0.12CC..EExtended strand (participates in β ladder)trans-123159.8-175.9-71.3166.3-171175.30111.2E629 K630 E631 P658 S731 T750 V751 W752 R761E629-K733 VanDerWaalsContact O-CE 3.25Å; E629-K733 WeakPolarHBondContact O-CE 3.46Å; E629-K733 PolarHBondContact O-NZ 3.32Å; K630-K733 VanDerWaalsContact C-NZ 3.3Å; K630-K733 PolarHBondContact O-NZ 2.89Å; E631-K733 PolarHBondContact O-NZ 3.13Å; P658-K733 HydrophobicContact CB-CB 4.1Å; P658-K733 HydrophobicContact CG-CB 4.2Å; S731-K733 WeakPolarHBondContact O-CG 3.17Å; S731-K733 PolarHBondContact O-N 3.11Å; K733-T750 HydrophobicContact CB-CG2 4.21Å; K733-T750 HydrophobicContact CD-CG2 4.45Å; K733-V751 CarbonylContact C-O 3.46Å; K733-V751 VanDerWaalsContact CA-O 3.29Å; K733-V751 WeakPolarHBondContact CA-O 3.47Å; K733-W752 HydrophobicContact CG-CE3 4.07Å; K733-W752 HydrophobicContact CG-CZ3 4.28Å; K733-R761 PolarHBondContact O-NH1 3.27Å
734Q85.7Confident84.1Confident7 Ų721.8 Ų21.83%0.03311%0.109CC..EExtended strand (participates in β ladder)trans-150.1169.3172.559.8-178.5-20.400110.7V736 T750 V751 A753 N757 M789Q734-V736 HydrophobicContact CG-CG2 4.37Å; Q734-T750 CarbonylContact O-C 3.47Å; Q734-T750 VanDerWaalsContact O-CA 3.31Å; Q734-T750 WeakPolarHBondContact O-CA 3.44Å; Q734-V751 HydrophobicContact CG-CG2 3.59Å; Q734-V751 PolarHBondContact N-O 3.21Å; Q734-V751 PolarHBondContact O-N 3.39Å; Q734-A753 HydrophobicContact CG-CB 4.36Å; Q734-N757 PolarHBondContact NE2-OD1 3.37Å; Q734-M789 PolarHBondContact NE2-SD 3.32Å
735K82.2Confident83.5Confident110 Ų11020 Ų2048%0.47810%0.1SC..EExtended strand (participates in β ladder)trans-117122.5177.4-175.8-179.5-179.6-172.30110.1P658 A749P658-K735 WeakPolarHBondContact O-CB 3.46Å; K735-A749 WeakPolarHBondContact CA-O 3.27Å
736V75.7Confident82.9Confident17 Ų1720.5 Ų20.510%0.10310%0.103CC..EExtended strand (participates in β ladder)trans-111.1140.1-176.5-179.70000109.8Q734 L738 A749 V751 M789Q734-V736 HydrophobicContact CG-CG2 4.37Å; V736-L738 HydrophobicContact CG1-CD2 3.79Å; V736-L738 HydrophobicContact CG1-CG 4.34Å; V736-A749 PolarHBondContact N-O 2.77Å; V736-A749 PolarHBondContact O-N 2.95Å; V736-A749 VanDerWaalsContact O-N 3.14Å; V736-V751 HydrophobicContact CG2-CG2 3.67Å; V736-M789 HydrophobicContact CG2-CE 3.86Å
737K75.7Confident81.9Confident91 Ų9120.5 Ų20.540%0.39610%0.103SC..EExtended strand (participates in β ladder)trans-87119167.2-166.6-177.4-171-178.80107.8T746 Y748 R795 E1047K737-T746 HydrophobicContact CD-CG2 4.27Å; K737-T746 HydrophobicContact CG-CG2 3.89Å; K737-Y748 HydrophobicContact CB-CD1 4.27Å; K737-Y748 HydrophobicContact CB-CE1 3.85Å; K737-Y748 HydrophobicContact CD-CE1 4.29Å; K737-Y748 HydrophobicContact CG-CD1 4.42Å; K737-Y748 HydrophobicContact CG-CE1 3.83Å; K737-R795 PolarHBondContact O-NH1 3.04Å; K737-R795 VanDerWaalsContact O-NH1 3.16Å; K737-E1047 IonicContact NZ-OE1 2.79Å
738L73.1Confident80.8Confident18 Ų1824 Ų249%0.09412%0.117CC..EExtended strand (participates in β ladder)trans-109.3138.4172.6-57.9176.4000108V736 N747 A749V736-L738 HydrophobicContact CG1-CD2 3.79Å; V736-L738 HydrophobicContact CG1-CG 4.34Å; L738-N747 HydrophobicContact CB-CB 4.35Å; L738-N747 PolarHBondContact N-O 2.93Å; L738-N747 PolarHBondContact O-N 2.96Å; L738-A749 HydrophobicContact CD1-CB 4.32Å
739F71.2Confident79.5Confident48 Ų4824.1 Ų24.121%0.21112%0.117CC..EExtended strand (participates in β ladder)trans-118.1137.8173.6179.4-101.8000109.6A741 N744 P797F739-A741 HydrophobicContact CD1-CB 4.35Å; F739-A741 VanDerWaalsContact CE1-CA 3.45Å; F739-A741 HydrophobicContact CE1-CB 3.78Å; F739-N744 WeakPolarHBondContact CE2-OD1 3.34Å; F739-N744 WeakPolarHBondContact CZ-OD1 3.4Å; F739-P797 HydrophobicContact CD1-CG 3.72Å; F739-P797 HydrophobicContact CE1-CG 3.58Å; F739-P797 HydrophobicContact CE2-CG 4.48Å; F739-P797 HydrophobicContact CG-CG 4.23Å; F739-P797 HydrophobicContact CZ-CG 4Å
740T71.9Confident78.5Confident5 Ų526.4 Ų26.43%0.03113%0.131CC..EExtended strand (participates in β ladder)trans-117.9113.1177.5-59.20000108H742 N743 N744 M745T740-H742 WeakPolarHBondContact CG2-CE1 3.32Å; T740-H742 WeakPolarHBondContact CG2-ND1 3.47Å; T740-N743 WeakPolarHBondContact CB-OD1 3.27Å; T740-N743 WeakPolarHBondContact CG2-OD1 3.41Å; T740-N743 PolarHBondContact O-OD1 3.29Å; T740-N744 PolarHBondContact O-N 3.43Å; T740-M745 PolarHBondContact N-O 3.39Å; T740-M745 PolarHBondContact O-N 3.48Å; T740-M745 VanDerWaalsContact O-N 3.16Å
741A68.2Low77.6Confident38 Ų3827.6 Ų27.631%0.31414%0.139SC..THydrogen-bonded Turntrans-74.2-44.7-163.100000113.7F739 N743 N744 E831F739-A741 HydrophobicContact CD1-CB 4.35Å; F739-A741 VanDerWaalsContact CE1-CA 3.45Å; F739-A741 HydrophobicContact CE1-CB 3.78Å; A741-N743 PolarHBondContact O-N 3.41Å; A741-N744 PolarHBondContact O-N 3.35Å; A741-E831 VanDerWaalsContact CB-OE2 3.3Å; A741-E831 WeakPolarHBondContact CB-OE2 3.36Å
742H71.7Confident77.1Confident10 Ų1030.8 Ų30.85%0.04615%0.15CC..THydrogen-bonded Turntrans-61.9-20.6-175.366-84.1000114.4E164 V166 L168 T740E164-H742 PolarHBondContact O-NE2 3.26Å; V166-H742 PolarHBondContact O-CD2 2.97Å; V166-H742 VanDerWaalsContact O-CD2 3.22Å; L168-H742 PolarHBondContact N-O 3.36Å; T740-H742 WeakPolarHBondContact CG2-CE1 3.32Å; T740-H742 WeakPolarHBondContact CG2-ND1 3.47Å
743N70.8Confident76.9Confident2 Ų230.9 Ų30.91%0.01115%0.151CC..THydrogen-bonded Turntrans-123.212.3179.46325.7000114.5E164 V166 T740 A741 M745 K1048E164-N743 PolarHBondContact O-ND2 3.38Å; V166-N743 WeakPolarHBondContact O-CB 3.34Å; T740-N743 WeakPolarHBondContact CB-OD1 3.27Å; T740-N743 WeakPolarHBondContact CG2-OD1 3.41Å; T740-N743 PolarHBondContact O-OD1 3.29Å; A741-N743 PolarHBondContact O-N 3.41Å; N743-M745 PolarHBondContact O-N 3.07Å; N743-M745 WeakPolarHBondContact OD1-CB 3.39Å; N743-M745 PolarHBondContact OD1-N 2.85Å; N743-K1048 PolarHBondContact O-NZ 3.36Å
744N74.3Confident76.7Confident49 Ų4930.4 Ų30.426%0.26215%0.15SC..THydrogen-bonded Turntrans46.340.3-178.4-163.530.8000114.3L168 F739 T740 A741 N1002L168-N744 HydrophobicContact CD1-CB 4.32Å; F739-N744 WeakPolarHBondContact CE2-OD1 3.34Å; F739-N744 WeakPolarHBondContact CZ-OD1 3.4Å; T740-N744 PolarHBondContact O-N 3.43Å; A741-N744 PolarHBondContact O-N 3.35Å; N744-N1002 PolarHBondContact ND2-OD1 2.91Å; N744-N1002 VanDerWaalsContact ND2-OD1 3.14Å
745M77.3Confident76.7Confident3 Ų332.5 Ų32.52%0.01516%0.159CC..EExtended strand (participates in β ladder)trans-107.1131.6-171.9-168.316954.500112.5E164 T740 N743 K1048 R1050 I1054E164-M745 HydrophobicContact CG-CE 3.62Å; T740-M745 PolarHBondContact N-O 3.39Å; T740-M745 PolarHBondContact O-N 3.48Å; T740-M745 VanDerWaalsContact O-N 3.16Å; N743-M745 PolarHBondContact O-N 3.07Å; N743-M745 WeakPolarHBondContact OD1-CB 3.39Å; N743-M745 PolarHBondContact OD1-N 2.85Å; M745-K1048 HydrophobicContact CB-CD 4.47Å; M745-K1048 HydrophobicContact CG-CG 4.47Å; M745-R1050 HydrophobicContact CE-CB 4.36Å; M745-R1050 HydrophobicContact CE-CG 4.23Å; M745-R1050 HydrophobicContact CG-CB 4.08Å; M745-R1050 HydrophobicContact SD-CB 3.7Å; M745-R1050 HydrophobicContact SD-CG 3.81Å; M745-I1054 HydrophobicContact SD-CD1 4Å; M745-I1054 HydrophobicContact SD-CG1 4.07Å
746T78.8Confident76.8Confident12 Ų1228.2 Ų28.27%0.07414%0.142CC..EExtended strand (participates in β ladder)trans-96.3127.2170.5-690000110.2K737 Y748 K1048 I1049 R1050K737-T746 HydrophobicContact CD-CG2 4.27Å; K737-T746 HydrophobicContact CG-CG2 3.89Å; T746-Y748 HydrophobicContact CG2-CD2 4.11Å; T746-Y748 HydrophobicContact CG2-CE2 3.71Å; T746-K1048 PolarHBondContact N-O 3.11Å; T746-I1049 CarbonylContact O-C 3.6Å; T746-I1049 WeakPolarHBondContact O-CA 3.49Å; T746-R1050 PolarHBondContact O-N 3.37Å
747N74Confident77.4Confident0 Ų028 Ų280%014%0.14CC..EExtended strand (participates in β ladder)trans-116.4131.7174.3176.840.6000110.1H231 L738 R1050H231-N747 PolarHBondContact CE1-ND2 3.39Å; H231-N747 PolarHBondContact NE2-ND2 2.92Å; L738-N747 HydrophobicContact CB-CB 4.35Å; L738-N747 PolarHBondContact N-O 2.93Å; L738-N747 PolarHBondContact O-N 2.96Å; N747-R1050 HydrophobicContact CB-CB 4.15Å; N747-R1050 PolarHBondContact ND2-NH2 3.33Å; N747-R1050 PolarHBondContact OD1-NE 3.27Å; N747-R1050 PolarHBondContact OD1-NH2 3.3Å
748Y74.1Confident78.1Confident77 Ų7723.8 Ų23.830%0.30212%0.122SC..EExtended strand (participates in β ladder)trans-106104.6172.2-77.2-78.8000109.9K737 T746 I1049K737-Y748 HydrophobicContact CB-CD1 4.27Å; K737-Y748 HydrophobicContact CB-CE1 3.85Å; K737-Y748 HydrophobicContact CD-CE1 4.29Å; K737-Y748 HydrophobicContact CG-CD1 4.42Å; K737-Y748 HydrophobicContact CG-CE1 3.83Å; T746-Y748 HydrophobicContact CG2-CD2 4.11Å; T746-Y748 HydrophobicContact CG2-CE2 3.71Å; Y748-I1049 HydrophobicContact CD2-CG2 4.23Å
749A70.6Confident78.7Confident1 Ų127.9 Ų27.91%0.00814%0.14CC..EExtended strand (participates in β ladder)trans-101.7135.2179.100000111.3V203 K735 V736 L738 V751V203-A749 HydrophobicContact CG1-CB 3.72Å; K735-A749 WeakPolarHBondContact CA-O 3.27Å; V736-A749 PolarHBondContact N-O 2.77Å; V736-A749 PolarHBondContact O-N 2.95Å; V736-A749 VanDerWaalsContact O-N 3.14Å; L738-A749 HydrophobicContact CD1-CB 4.32Å; A749-V751 HydrophobicContact CB-CG1 3.85Å
750T77.2Confident79.5Confident48 Ų4826 Ų2629%0.29413%0.132SC..EExtended strand (participates in β ladder)trans-84.7122.5161.1-60.20000107.7G204 P658 K733 Q734G204-T750 VanDerWaalsContact CA-O 3.26Å; G204-T750 WeakPolarHBondContact CA-O 3.34Å; G204-T750 PolarHBondContact N-O 3.29Å; P658-T750 HydrophobicContact CB-CG2 3.88Å; P658-T750 HydrophobicContact CG-CG2 3.98Å; K733-T750 HydrophobicContact CB-CG2 4.21Å; K733-T750 HydrophobicContact CD-CG2 4.45Å; Q734-T750 CarbonylContact O-C 3.47Å; Q734-T750 VanDerWaalsContact O-CA 3.31Å; Q734-T750 WeakPolarHBondContact O-CA 3.44Å
751V78.6Confident80.4Confident26 Ų2625.8 Ų25.816%0.15813%0.131CC..EExtended strand (participates in β ladder)trans-125.3158.3-172.3-50.90000109.5V203 K733 Q734 V736 A749V203-V751 HydrophobicContact CG1-CG1 3.44Å; V203-V751 VanDerWaalsContact CG1-CG1 3.44Å; K733-V751 CarbonylContact C-O 3.46Å; K733-V751 VanDerWaalsContact CA-O 3.29Å; K733-V751 WeakPolarHBondContact CA-O 3.47Å; Q734-V751 HydrophobicContact CG-CG2 3.59Å; Q734-V751 PolarHBondContact N-O 3.21Å; Q734-V751 PolarHBondContact O-N 3.39Å; V736-V751 HydrophobicContact CG2-CG2 3.67Å; A749-V751 HydrophobicContact CB-CG1 3.85Å
752W85.1Confident81.5Confident69 Ų6925.5 Ų25.526%0.26112%0.123SC..EExtended strand (participates in β ladder)trans-62.4141.2164.4-68.9112.5000109.6E629 C732 K733 C777 R781 L785E629-W752 HydrophobicContact CB-CH2 4.5Å; E629-W752 HydrophobicContact CB-CZ2 4.02Å; E629-W752 HydrophobicContact CG-CZ2 4.24Å; C732-W752 HydrophobicContact CB-CE3 4.07Å; C732-W752 HydrophobicContact CB-CZ3 4Å; K733-W752 HydrophobicContact CG-CE3 4.07Å; K733-W752 HydrophobicContact CG-CZ3 4.28Å; W752-C777 HydrophobicContact CH2-CB 4.18Å; W752-C777 HydrophobicContact CZ3-CB 3.84Å; W752-R781 HydrophobicContact CD2-CG 4.31Å; W752-R781 HydrophobicContact CE3-CG 4.47Å; W752-R781 HydrophobicContact CH2-CG 4.06Å; W752-R781 HydrophobicContact CZ2-CG 3.84Å; W752-R781 HydrophobicContact CZ3-CG 4.37Å; W752-L785 HydrophobicContact CB-CD2 3.62Å; W752-L785 HydrophobicContact CD2-CD2 4.33Å; W752-L785 HydrophobicContact CG-CD2 3.97Å
753A88.6Confident82.2Confident2 Ų225.5 Ų25.52%0.01713%0.126CC..PPolyproline II helixtrans-75.5152.9171.600000109.8C732 Q734 N757 L758C732-A753 WeakPolarHBondContact O-CB 3.46Å; C732-A753 PolarHBondContact O-N 3.03Å; Q734-A753 HydrophobicContact CG-CB 4.36Å; A753-N757 HydrophobicContact CB-CB 3.82Å; A753-L758 HydrophobicContact CB-CD1 3.73Å
754S85.8Confident83Confident5 Ų525.8 Ų25.84%0.03513%0.127CC..PPolyproline II helixtrans-73.6162.417968.40000111.7T756 N757 L758 E786S754-T756 PolarHBondContact O-N 3.29Å; S754-N757 WeakPolarHBondContact CB-OD1 3.49Å; S754-N757 PolarHBondContact N-OD1 3.18Å; S754-N757 WeakPolarHBondContact O-CB 3.38Å; S754-N757 PolarHBondContact O-N 3.37Å; S754-N757 PolarHBondContact OG-N 3.49Å; S754-N757 PolarHBondContact OG-OD1 3.45Å; S754-L758 PolarHBondContact O-N 3.03Å; S754-L758 VanDerWaalsContact O-N 3.15Å; S754-E786 CarbonylContact C-O 3.28Å; S754-E786 WeakPolarHBondContact CA-O 3.47Å; S754-E786 WeakPolarHBondContact CB-O 3.36Å
755K86.6Confident83.7Confident51 Ų5123.5 Ų23.522%0.22211%0.114CC..Hα-helixtrans-54.3-36.3172.4-62.6-171.7178.4-1790111.2L758 E759 F782 E783 L785 E786K755-L758 PolarHBondContact O-N 2.77Å; K755-E759 PolarHBondContact O-N 3.1Å; K755-F782 HydrophobicContact CD-CZ 4.48Å; K755-F782 WeakPolarHBondContact CE-O 3.37Å; K755-F782 HydrophobicContact CG-CE2 4.45Å; K755-F782 HydrophobicContact CG-CZ 4.42Å; K755-E783 WeakPolarHBondContact CE-O 3.25Å; K755-E783 PolarHBondContact NZ-O 2.69Å; K755-E783 IonicContact NZ-OE2 3.73Å; K755-E783 PolarHBondContact NZ-OE2 2.76Å; K755-L785 WeakPolarHBondContact CE-O 3.36Å; K755-L785 HydrophobicContact CG-CB 3.86Å; K755-E786 PolarHBondContact N-O 3.02Å
756T83.1Confident84Confident21 Ų2123.4 Ų23.413%0.12911%0.114CC..Hα-helixtrans-59.3-46.2172.8-66.10000112.9T545 S754 L758 E759 Q760 T787 H788T545-T756 HydrophobicContact CG2-CG2 3.56Å; S754-T756 PolarHBondContact O-N 3.29Å; T756-L758 PolarHBondContact O-N 3.25Å; T756-E759 PolarHBondContact O-N 3.17Å; T756-Q760 WeakPolarHBondContact O-CG 3.49Å; T756-Q760 PolarHBondContact O-N 2.84Å; T756-T787 WeakPolarHBondContact CB-O 3.08Å; T756-T787 PolarHBondContact N-O 3.05Å; T756-T787 VanDerWaalsContact N-O 3.15Å; T756-T787 PolarHBondContact OG1-O 2.95Å; T756-H788 PolarHBondContact OG1-CE1 3.33Å; T756-H788 PolarHBondContact OG1-ND1 3.23Å
757N87.9Confident83.9Confident13 Ų1324.7 Ų24.77%0.0712%0.118CC..Hα-helixtrans-63.6-42.6-179.7-57.7123.8000110.9E717 Q734 A753 S754 Q760 R761E717-N757 WeakPolarHBondContact OE1-CA 3.45Å; E717-N757 VanDerWaalsContact OE1-CB 3.23Å; E717-N757 WeakPolarHBondContact OE1-CB 3.27Å; E717-N757 VanDerWaalsContact OE1-CG 3.31Å; E717-N757 PolarHBondContact OE1-ND2 3.49Å; Q734-N757 PolarHBondContact NE2-OD1 3.37Å; A753-N757 HydrophobicContact CB-CB 3.82Å; S754-N757 WeakPolarHBondContact CB-OD1 3.49Å; S754-N757 PolarHBondContact N-OD1 3.18Å; S754-N757 WeakPolarHBondContact O-CB 3.38Å; S754-N757 PolarHBondContact O-N 3.37Å; S754-N757 PolarHBondContact OG-N 3.49Å; S754-N757 PolarHBondContact OG-OD1 3.45Å; N757-Q760 PolarHBondContact O-N 3.4Å; N757-R761 VanDerWaalsContact O-CG 3.25Å; N757-R761 WeakPolarHBondContact O-CG 3.38Å; N757-R761 PolarHBondContact O-N 3.41Å
758L91.1Very high83.9Confident2 Ų227.7 Ų27.71%0.0114%0.136CC..Hα-helixtrans-61.6-44.1178.9-92.861.4000112.3D730 C732 A753 S754 K755 T756 Q760 R761 K762 F782 L785D730-L758 WeakPolarHBondContact OD2-CD1 3.37Å; D730-L758 WeakPolarHBondContact OD2-CG 3.43Å; C732-L758 HydrophobicContact CB-CD1 4.1Å; C732-L758 HydrophobicContact CB-CD2 4.37Å; A753-L758 HydrophobicContact CB-CD1 3.73Å; S754-L758 PolarHBondContact O-N 3.03Å; S754-L758 VanDerWaalsContact O-N 3.15Å; K755-L758 PolarHBondContact O-N 2.77Å; T756-L758 PolarHBondContact O-N 3.25Å; L758-Q760 VanDerWaalsContact C-N 3.3Å; L758-Q760 PolarHBondContact O-N 3.13Å; L758-R761 PolarHBondContact O-N 3.04Å; L758-K762 WeakPolarHBondContact O-CB 3.46Å; L758-K762 PolarHBondContact O-N 3.43Å; L758-F782 HydrophobicContact CD2-CD2 3.6Å; L758-F782 HydrophobicContact CD2-CE2 3.73Å; L758-L785 HydrophobicContact CD2-CD1 3.77Å
759E86.9Confident84.4Confident103 Ų10327.8 Ų27.848%0.48114%0.136SC..Hα-helixtrans-62.9-36.9177.8-171.461.4-149.200111.8K755 T756 K762 G763K755-E759 PolarHBondContact O-N 3.1Å; T756-E759 PolarHBondContact O-N 3.17Å; E759-K762 VanDerWaalsContact CD-NZ 3.26Å; E759-K762 WeakPolarHBondContact OE1-CD 3.38Å; E759-K762 WeakPolarHBondContact OE1-CE 3.09Å; E759-K762 IonicContact OE1-NZ 3.4Å; E759-K762 PolarHBondContact OE1-NZ 3.21Å; E759-K762 WeakPolarHBondContact OE2-CD 3.28Å; E759-K762 IonicContact OE2-NZ 2.69Å; E759-K762 PolarHBondContact OE2-NZ 2.91Å; E759-G763 PolarHBondContact O-N 3.08Å
760Q86.3Confident85.3Confident8 Ų831.1 Ų31.14%0.03716%0.157CC..Hα-helixtrans-70-35.2175.9-68.2179.88.800113.6T413 H514 E717 T756 N757 L758 G763 R764T413-Q760 HydrophobicContact CG2-CB 4.44Å; T413-Q760 HydrophobicContact CG2-CG 4.18Å; H514-Q760 PolarHBondContact CD2-NE2 2.95Å; H514-Q760 PolarHBondContact NE2-NE2 3.22Å; E717-Q760 HydrophobicContact CG-CB 3.99Å; T756-Q760 WeakPolarHBondContact O-CG 3.49Å; T756-Q760 PolarHBondContact O-N 2.84Å; N757-Q760 PolarHBondContact O-N 3.4Å; L758-Q760 VanDerWaalsContact C-N 3.3Å; L758-Q760 PolarHBondContact O-N 3.13Å; Q760-G763 PolarHBondContact O-N 3.31Å; Q760-R764 PolarHBondContact O-NE 3.26Å
761R91.6Very high86.1Confident2 Ų229 Ų291%0.00815%0.145CC..Hα-helixtrans-67.6-50.6174.8-69.1172.1-173.4-166.23.6110.8F656 E717 V728 D730 K733 N757 L758 G763 R764F656-R761 HydrophobicContact CD1-CG 4.01Å; F656-R761 HydrophobicContact CD2-CB 3.78Å; F656-R761 HydrophobicContact CD2-CG 3.68Å; F656-R761 HydrophobicContact CE1-CG 3.95Å; F656-R761 HydrophobicContact CE2-CB 3.61Å; F656-R761 HydrophobicContact CE2-CG 3.61Å; F656-R761 HydrophobicContact CG-CB 4.46Å; F656-R761 HydrophobicContact CG-CG 3.88Å; F656-R761 HydrophobicContact CZ-CB 4.17Å; F656-R761 HydrophobicContact CZ-CG 3.76Å; E717-R761 HydrophobicContact CG-CG 3.95Å; E717-R761 IonicContact OE2-CZ 3.79Å; E717-R761 IonicContact OE2-NE 3.82Å; E717-R761 PolarHBondContact OE2-NE 3.43Å; E717-R761 IonicContact OE2-NH2 2.69Å; E717-R761 PolarHBondContact OE2-NH2 3.11Å; V728-R761 HydrophobicContact CG1-CB 4.46Å; V728-R761 WeakPolarHBondContact CG2-O 3.4Å; D730-R761 WeakPolarHBondContact OD1-CD 3.41Å; D730-R761 IonicContact OD1-CZ 2.71Å; D730-R761 IonicContact OD1-NE 3.32Å; D730-R761 IonicContact OD1-NH1 3.29Å; D730-R761 PolarHBondContact OD1-NH1 2.88Å; D730-R761 WeakPolarHBondContact OD2-CD 3.46Å; D730-R761 IonicContact OD2-NH1 3.77Å; K733-R761 PolarHBondContact O-NH1 3.27Å; N757-R761 VanDerWaalsContact O-CG 3.25Å; N757-R761 WeakPolarHBondContact O-CG 3.38Å; N757-R761 PolarHBondContact O-N 3.41Å; L758-R761 PolarHBondContact O-N 3.04Å; R761-G763 VanDerWaalsContact C-N 3.27Å; R761-G763 PolarHBondContact O-N 3.24Å; R761-R764 VanDerWaalsContact O-CB 3.26Å; R761-R764 WeakPolarHBondContact O-CB 3.4Å; R761-R764 WeakPolarHBondContact O-CG 3.21Å; R761-R764 PolarHBondContact O-N 3.21Å
762K90.9Very high86.9Confident31 Ų3129.5 Ų29.514%0.13515%0.145CC..Hα-helixtrans-50.1-46.5170.2167.6-159.9173.4176.10111.7V570 E572 L758 E759 R764 A765 C773V570-K762 HydrophobicContact CB-CG 4.06Å; V570-K762 HydrophobicContact CG1-CG 3.79Å; E572-K762 VanDerWaalsContact CD-NZ 3.35Å; E572-K762 HydrophobicContact CG-CD 4.06Å; E572-K762 HydrophobicContact CG-CG 4.3Å; E572-K762 WeakPolarHBondContact OE1-CE 3.28Å; E572-K762 IonicContact OE1-NZ 3.24Å; E572-K762 PolarHBondContact OE1-NZ 3.17Å; E572-K762 WeakPolarHBondContact OE2-CD 3.42Å; E572-K762 IonicContact OE2-NZ 2.63Å; L758-K762 WeakPolarHBondContact O-CB 3.46Å; L758-K762 PolarHBondContact O-N 3.43Å; E759-K762 VanDerWaalsContact CD-NZ 3.26Å; E759-K762 WeakPolarHBondContact OE1-CD 3.38Å; E759-K762 WeakPolarHBondContact OE1-CE 3.09Å; E759-K762 IonicContact OE1-NZ 3.4Å; E759-K762 PolarHBondContact OE1-NZ 3.21Å; E759-K762 WeakPolarHBondContact OE2-CD 3.28Å; E759-K762 IonicContact OE2-NZ 2.69Å; E759-K762 PolarHBondContact OE2-NZ 2.91Å; K762-R764 PolarHBondContact O-N 2.95Å; K762-A765 PolarHBondContact O-N 3.05Å; K762-C773 HydrophobicContact CB-CB 4.12Å; K762-C773 HydrophobicContact CG-CB 4.12Å
763G86.2Confident87.5Confident11 Ų1126.2 Ų26.211%0.11313%0.132CC..THydrogen-bonded Turntrans-60.8-6.6177.500000115.9T413 E759 Q760 R761 R767T413-G763 WeakPolarHBondContact OG1-CA 3.49Å; E759-G763 PolarHBondContact O-N 3.08Å; Q760-G763 PolarHBondContact O-N 3.31Å; R761-G763 VanDerWaalsContact C-N 3.27Å; R761-G763 PolarHBondContact O-N 3.24Å; G763-R767 WeakPolarHBondContact O-CG 3.25Å
764R88.5Confident87.9Confident8 Ų826.1 Ų26.13%0.0313%0.132CC..THydrogen-bonded Turntrans-77.1-27.5170.2-56.2-66.4138.1168.3-8.4113L654 F656 A716 E717 T718 I720 V728 Q760 R761 K762 R767L654-R764 HydrophobicContact CD2-CB 3.84Å; L654-R764 HydrophobicContact CD2-CG 3.97Å; F656-R764 HydrophobicContact CE2-CG 4.36Å; F656-R764 HydrophobicContact CZ-CG 4.15Å; A716-R764 WeakPolarHBondContact O-CD 3.31Å; A716-R764 PolarHBondContact O-NE 2.71Å; A716-R764 PolarHBondContact O-NH1 2.62Å; E717-R764 VanDerWaalsContact C-CZ 3.49Å; E717-R764 PolarHBondContact O-NE 3.45Å; E717-R764 PolarHBondContact O-NH2 3.31Å; T718-R764 VanDerWaalsContact CA-NH2 3.32Å; I720-R764 PolarHBondContact O-NH1 3.36Å; V728-R764 HydrophobicContact CG2-CB 4Å; Q760-R764 PolarHBondContact O-NE 3.26Å; R761-R764 VanDerWaalsContact O-CB 3.26Å; R761-R764 WeakPolarHBondContact O-CB 3.4Å; R761-R764 WeakPolarHBondContact O-CG 3.21Å; R761-R764 PolarHBondContact O-N 3.21Å; K762-R764 PolarHBondContact O-N 2.95Å; R764-R767 VanDerWaalsContact NH1-NH2 3.12Å
765A89.5Confident88.5Confident0 Ų025.9 Ų25.90%013%0.13CC..THydrogen-bonded Turntrans-79.2-29.1179.200000114V570 V726 V728 K762 R767V570-A765 HydrophobicContact CG1-CB 3.98Å; V570-A765 HydrophobicContact CG2-CB 4.09Å; V726-A765 WeakPolarHBondContact O-CB 3.48Å; V728-A765 HydrophobicContact CB-CB 4.48Å; V728-A765 HydrophobicContact CG2-CB 3.88Å; K762-A765 PolarHBondContact O-N 3.05Å; A765-R767 PolarHBondContact O-N 3.33Å
766G81.9Confident88.9Confident1 Ų124.1 Ų24.11%0.0112%0.123CC..SBendtrans-94.721.8-171.400000115.6Y568 V570Y568-G766 PolarHBondContact N-O 3.13Å; Y568-G766 WeakPolarHBondContact O-CA 3.47Å; V570-G766 VanDerWaalsContact CG2-N 3.34Å
767R76.9Confident89.5Confident40 Ų4023.1 Ų23.115%0.15112%0.117CC..SBendtrans-79.4-57.7-169.7-69.8-172163.6-134.9-5.6113.4T721 G763 R764 A765T721-R767 PolarHBondContact OG1-NH1 3.44Å; G763-R767 WeakPolarHBondContact O-CG 3.25Å; R764-R767 VanDerWaalsContact NH1-NH2 3.12Å; A765-R767 PolarHBondContact O-N 3.33Å
768V74.8Confident89.8Confident63 Ų6322.5 Ų22.538%0.38211%0.114SC..SBendtrans-102.8-18.9-174.8-52.70000113.9Y568 N723Y568-V768 VanDerWaalsContact CD2-C 3.45Å; Y568-V768 WeakPolarHBondContact CE2-O 3.35Å; N723-V768 HydrophobicContact CB-CG1 4.39Å; N723-V768 VanDerWaalsContact O-CG1 3.3Å; N723-V768 WeakPolarHBondContact O-CG1 3.46Å; N723-V768 WeakPolarHBondContact O-CG2 3.44Å
769R84.6Confident89.9Confident79 Ų7927.1 Ų27.130%0.29813%0.131SC..SBendtrans-165.4172-179.264.1-168.9156.7137.3-1.9110.5Y568 P650 V726Y568-R769 VanDerWaalsContact CB-O 3.23Å; Y568-R769 WeakPolarHBondContact CB-O 3.43Å; Y568-R769 VanDerWaalsContact CD2-N 3.31Å; P650-R769 PolarHBondContact O-NH1 3.45Å; P650-R769 PolarHBondContact O-NH2 2.7Å; V726-R769 HydrophobicContact CG2-CG 4.24Å
770P89.8Confident90Very high71 Ų7123.3 Ų23.346%0.46112%0.117SC..  trans-58.3147177.4-24.536000111.9Y568 P569Y568-P770 HydrophobicContact CD1-CG 4.06Å; P569-P770 HydrophobicContact CG-CB 4.25Å; P569-P770 HydrophobicContact CG-CG 4.33Å; P569-P770 WeakPolarHBondContact O-CA 3.35Å
771G93.1Very high90.1Very high3 Ų323.9 Ų23.93%0.03112%0.119CC..EExtended strand (participates in β ladder)trans-147.8-174.4-173.600000113.5P569 V570 Q571 V726P569-G771 PolarHBondContact O-N 3Å; P569-G771 VanDerWaalsContact O-N 3.14Å; V570-G771 CarbonylContact C-O 3.06Å; V570-G771 VanDerWaalsContact CA-O 3.31Å; V570-G771 WeakPolarHBondContact CA-O 3.34Å; Q571-G771 PolarHBondContact N-O 3.27Å; V726-G771 CarbonylContact O-C 3.52Å; V726-G771 WeakPolarHBondContact O-CA 3.4Å
772F95.8Very high90Very high37 Ų3725.7 Ų25.716%0.16213%0.127CC..EExtended strand (participates in β ladder)trans-135.2140-174.3-52.6-89.2000110.5Q571 Y573 V726 Y727 V728 F774Q571-F772 HydrophobicContact CB-CD1 3.98Å; Q571-F772 HydrophobicContact CB-CE1 4.42Å; Q571-F772 CarbonylContact O-C 3.58Å; Q571-F772 WeakPolarHBondContact O-CA 3.39Å; Y573-F772 AromaticContact CE2-CD1 3.95Å; Y573-F772 HydrophobicContact CE2-CD1 3.95Å; V726-F772 HydrophobicContact CG1-CD2 4.25Å; V726-F772 HydrophobicContact CG1-CE2 4.47Å; V726-F772 PolarHBondContact O-N 2.86Å; Y727-F772 WeakPolarHBondContact CA-O 3.49Å; Y727-F772 HydrophobicContact CD1-CB 4.02Å; Y727-F772 AromaticContact CD1-CD2 3.63Å; Y727-F772 HydrophobicContact CD1-CD2 3.63Å; Y727-F772 HydrophobicContact CD1-CG 4.19Å; Y727-F772 HydrophobicContact CE1-CB 4.47Å; Y727-F772 AromaticContact CE1-CD2 3.3Å; Y727-F772 HydrophobicContact CE1-CD2 3.3Å; Y727-F772 AromaticContact CE1-CE2 3.79Å; Y727-F772 HydrophobicContact CE1-CE2 3.79Å; Y727-F772 HydrophobicContact CE1-CG 4.14Å; V728-F772 PolarHBondContact N-O 2.74Å; F772-F774 HydrophobicContact CB-CE2 3.91Å; F772-F774 HydrophobicContact CB-CZ 4.02Å
773C96.8Very high89.8Confident0 Ų030.2 Ų30.20%015%0.148CC..EExtended strand (participates in β ladder)trans-126.5122.5175.2-169.80000110.4V570 Q571 E572 Y573 V728 K762 H775V570-C773 HydrophobicContact CG1-CB 3.68Å; Q571-C773 PolarHBondContact O-N 2.78Å; E572-C773 WeakPolarHBondContact CA-O 3.15Å; Y573-C773 PolarHBondContact N-O 2.83Å; V728-C773 HydrophobicContact CB-CB 4.44Å; V728-C773 CarbonylContact O-C 3.57Å; V728-C773 WeakPolarHBondContact O-CA 3.4Å; K762-C773 HydrophobicContact CB-CB 4.12Å; K762-C773 HydrophobicContact CG-CB 4.12Å; C773-H775 PolarHBondContact SG-CE1 2.73Å
774F97.9Very high89.7Confident0 Ų035.1 Ų35.10%016%0.164CC..EExtended strand (participates in β ladder)trans-108.2101.8179.8-55.2-83.1000109Y573 M581 L640 I644 Y727 V728 I729 D730 F772Y573-F774 AromaticContact CD2-CD1 3.6Å; Y573-F774 HydrophobicContact CD2-CD1 3.6Å; Y573-F774 AromaticContact CD2-CE1 3.36Å; Y573-F774 HydrophobicContact CD2-CE1 3.36Å; Y573-F774 HydrophobicContact CD2-CZ 4.13Å; Y573-F774 HydrophobicContact CE2-CD1 4.43Å; Y573-F774 AromaticContact CE2-CE1 3.74Å; Y573-F774 HydrophobicContact CE2-CE1 3.74Å; Y573-F774 HydrophobicContact CE2-CZ 4.22Å; Y573-F774 HydrophobicContact CG-CD1 4.11Å; Y573-F774 HydrophobicContact CG-CE1 4.14Å; M581-F774 HydrophobicContact CE-CD1 4.13Å; M581-F774 HydrophobicContact CE-CE1 3.87Å; L640-F774 HydrophobicContact CD1-CB 4.21Å; L640-F774 HydrophobicContact CD2-CD1 3.85Å; L640-F774 HydrophobicContact CD2-CE1 4.21Å; L640-F774 HydrophobicContact CD2-CG 4.23Å; I644-F774 HydrophobicContact CD1-CD2 4.38Å; I644-F774 HydrophobicContact CD1-CE2 3.83Å; I644-F774 HydrophobicContact CG1-CE2 3.96Å; I644-F774 HydrophobicContact CG1-CZ 4.22Å; Y727-F774 HydrophobicContact CD1-CE2 4.18Å; V728-F774 WeakPolarHBondContact O-CD2 3.46Å; V728-F774 PolarHBondContact O-N 2.92Å; I729-F774 HydrophobicContact CG1-CB 4.44Å; I729-F774 HydrophobicContact CG1-CD2 4.07Å; D730-F774 PolarHBondContact N-O 3.25Å; F772-F774 HydrophobicContact CB-CE2 3.91Å; F772-F774 HydrophobicContact CB-CZ 4.02Å
775H97.5Very high89.4Confident0 Ų035.4 Ų35.40%017%0.165CC..EExtended strand (participates in β ladder)trans-85.2118.6177.6-60.1-62.1000109.7E572 Y573 F574 L575 C773 C777E572-H775 IonicContact OE2-CD2 2.68Å; E572-H775 IonicContact OE2-CE1 3Å; E572-H775 IonicContact OE2-NE2 3.51Å; E572-H775 PolarHBondContact OE2-NE2 2.97Å; Y573-H775 PolarHBondContact O-N 2.86Å; F574-H775 CarbonylContact C-O 3.56Å; F574-H775 HydrophobicContact CD1-CB 4.06Å; F574-H775 HydrophobicContact CE1-CB 4.32Å; F574-H775 AromaticContact CE1-CD2 3.88Å; L575-H775 PolarHBondContact N-O 3.41Å; C773-H775 PolarHBondContact SG-CE1 2.73Å; H775-C777 PolarHBondContact O-N 2.86Å
776L96.4Very high88.7Confident13 Ų1338.4 Ų38.47%0.06818%0.18CC..SBendtrans-84.337.5-178.8-55.1-177.7000112.9L636 I637 L640 I729 D730L636-L776 HydrophobicContact CD2-CD2 4.02Å; L636-L776 HydrophobicContact CG-CD2 4.42Å; I637-L776 HydrophobicContact CD1-CD1 4.09Å; I637-L776 HydrophobicContact CG1-CD1 3.69Å; L640-L776 HydrophobicContact CD1-CD2 3.68Å; I729-L776 HydrophobicContact CG2-CD1 3.95Å; I729-L776 HydrophobicContact CG2-CD2 4.43Å; I729-L776 HydrophobicContact CG2-CG 4.22Å; D730-L776 WeakPolarHBondContact O-CB 3.31Å; D730-L776 WeakPolarHBondContact O-CG 3.38Å; D730-L776 PolarHBondContact O-N 3.3Å
777C94.2Very high88.4Confident1 Ų142.3 Ų42.31%0.00720%0.203CC..SBendtrans-128.7150.3169.669.70000109.8L575 C732 W752 H775 R781L575-C777 VanDerWaalsContact CB-C 3.42Å; L575-C777 WeakPolarHBondContact CB-O 3.44Å; L575-C777 PolarHBondContact N-O 2.84Å; C732-C777 HydrophobicContact CB-CB 4.22Å; C732-C777 VanDerWaalsContact SG-SG 3.7Å; W752-C777 HydrophobicContact CH2-CB 4.18Å; W752-C777 HydrophobicContact CZ3-CB 3.84Å; H775-C777 PolarHBondContact O-N 2.86Å; C777-R781 HydrophobicContact CB-CB 4.25Å; C777-R781 HydrophobicContact CB-CG 4.12Å
778S94.3Very high88.3Confident0 Ų043.8 Ų43.80%021%0.212CC..  trans-67.6154.5172.949.30000110.8E576 C608 N609 A780 R781 F782E576-S778 VanDerWaalsContact OE1-CA 3.28Å; E576-S778 WeakPolarHBondContact OE1-CA 3.41Å; E576-S778 VanDerWaalsContact OE1-CB 3.23Å; E576-S778 WeakPolarHBondContact OE1-CB 3.4Å; C608-S778 WeakPolarHBondContact CB-OG 3.47Å; N609-S778 PolarHBondContact OD1-OG 2.86Å; S778-A780 PolarHBondContact O-N 2.73Å; S778-R781 WeakPolarHBondContact O-CA 3.44Å; S778-R781 PolarHBondContact O-N 3.48Å; S778-R781 WeakPolarHBondContact OG-CB 3.21Å; S778-R781 PolarHBondContact OG-N 2.92Å; S778-F782 PolarHBondContact O-N 3.21Å
779R93.1Very high88.2Confident98 Ų9843.9 Ų43.937%0.3721%0.209SC..Hα-helixtrans-56.1-37.5173.2-66.4-179.4-174178.32.1111.2F574 E576 D577 Y616 R781 F782 E783F574-R779 HydrophobicContact CB-CG 3.67Å; F574-R779 HydrophobicContact CD1-CG 4.06Å; F574-R779 HydrophobicContact CD2-CG 3.58Å; F574-R779 HydrophobicContact CE2-CG 4.22Å; F574-R779 HydrophobicContact CG-CG 3.47Å; F574-R779 VanDerWaalsContact CG-CG 3.47Å; E576-R779 PolarHBondContact OE1-N 2.86Å; E576-R779 PolarHBondContact OE2-N 3.09Å; D577-R779 VanDerWaalsContact CG-NH2 3.29Å; D577-R779 IonicContact OD1-NH2 2.95Å; D577-R779 PolarHBondContact OD1-NH2 3.48Å; D577-R779 IonicContact OD2-CZ 2.73Å; D577-R779 IonicContact OD2-NE 3.48Å; D577-R779 IonicContact OD2-NH2 3.29Å; D577-R779 PolarHBondContact OD2-NH2 2.66Å; Y616-R779 PolarHBondContact OH-NH1 3.38Å; Y616-R779 PolarHBondContact OH-NH2 3.12Å; R779-R781 VanDerWaalsContact C-N 3.34Å; R779-R781 PolarHBondContact O-N 3.45Å; R779-F782 WeakPolarHBondContact O-CB 3.37Å; R779-F782 PolarHBondContact O-N 3.34Å; R779-E783 PolarHBondContact O-N 3.32Å
780A89.6Confident87.8Confident23 Ų2341.5 Ų41.519%0.1920%0.203CC..Hα-helixtrans-64-32.7174.300000113.6C608 I611 S778C608-A780 HydrophobicContact CB-CB 3.87Å; I611-A780 HydrophobicContact CB-CB 3.75Å; I611-A780 HydrophobicContact CD1-CB 4.32Å; I611-A780 HydrophobicContact CG2-CB 3.82Å; S778-A780 PolarHBondContact O-N 2.73Å
781R88.8Confident87.4Confident20 Ų2038.6 Ų38.68%0.07518%0.184CC..Hα-helixtrans-75.8-43170.817754.267.6-166.43.9111.1D605 C608 E629 W752 C777 S778 R779 E783 R784 L785D605-R781 IonicContact OD1-NH1 3.67Å; D605-R781 PolarHBondContact OD1-NH1 3.28Å; D605-R781 IonicContact OD1-NH2 2.78Å; D605-R781 IonicContact OD2-CZ 2.94Å; D605-R781 IonicContact OD2-NH1 3.73Å; D605-R781 PolarHBondContact OD2-NH1 3.42Å; D605-R781 IonicContact OD2-NH2 2.67Å; D605-R781 PolarHBondContact OD2-NH2 2.92Å; C608-R781 HydrophobicContact CB-CB 3.83Å; E629-R781 IonicContact OE1-NE 2.89Å; E629-R781 IonicContact OE1-NH2 2.96Å; E629-R781 IonicContact OE2-CZ 2.92Å; E629-R781 IonicContact OE2-NE 2.7Å; E629-R781 PolarHBondContact OE2-NE 2.81Å; E629-R781 IonicContact OE2-NH2 3.74Å; E629-R781 PolarHBondContact OE2-NH2 3.44Å; W752-R781 HydrophobicContact CD2-CG 4.31Å; W752-R781 HydrophobicContact CE3-CG 4.47Å; W752-R781 HydrophobicContact CH2-CG 4.06Å; W752-R781 HydrophobicContact CZ2-CG 3.84Å; W752-R781 HydrophobicContact CZ3-CG 4.37Å; C777-R781 HydrophobicContact CB-CB 4.25Å; C777-R781 HydrophobicContact CB-CG 4.12Å; S778-R781 WeakPolarHBondContact O-CA 3.44Å; S778-R781 PolarHBondContact O-N 3.48Å; S778-R781 WeakPolarHBondContact OG-CB 3.21Å; S778-R781 PolarHBondContact OG-N 2.92Å; R779-R781 VanDerWaalsContact C-N 3.34Å; R779-R781 PolarHBondContact O-N 3.45Å; R781-E783 VanDerWaalsContact C-N 3.27Å; R781-E783 PolarHBondContact O-N 3.22Å; R781-R784 PolarHBondContact O-N 3.31Å; R781-L785 HydrophobicContact CG-CD2 4.43Å; R781-L785 PolarHBondContact O-N 2.9Å
782F90Very high87Confident40 Ų4040.6 Ų40.618%0.17519%0.193CC..Hα-helixtrans-51.7-46.6178.1178.5-99.5000111.4F574 K755 L758 S778 R779 R784 L785F574-F782 HydrophobicContact CD1-CB 4.24Å; F574-F782 HydrophobicContact CE1-CB 3.67Å; F574-F782 HydrophobicContact CE1-CD1 4.14Å; F574-F782 AromaticContact CE1-CD2 3.71Å; F574-F782 HydrophobicContact CE1-CD2 3.71Å; F574-F782 HydrophobicContact CE1-CE2 4.36Å; F574-F782 AromaticContact CE1-CG 3.56Å; F574-F782 HydrophobicContact CE1-CG 3.56Å; F574-F782 HydrophobicContact CZ-CD1 4.18Å; F574-F782 HydrophobicContact CZ-CD2 4.26Å; F574-F782 HydrophobicContact CZ-CE1 4.47Å; F574-F782 HydrophobicContact CZ-CG 4.06Å; K755-F782 HydrophobicContact CD-CZ 4.48Å; K755-F782 WeakPolarHBondContact CE-O 3.37Å; K755-F782 HydrophobicContact CG-CE2 4.45Å; K755-F782 HydrophobicContact CG-CZ 4.42Å; L758-F782 HydrophobicContact CD2-CD2 3.6Å; L758-F782 HydrophobicContact CD2-CE2 3.73Å; S778-F782 PolarHBondContact O-N 3.21Å; R779-F782 WeakPolarHBondContact O-CB 3.37Å; R779-F782 PolarHBondContact O-N 3.34Å; F782-R784 VanDerWaalsContact C-N 3.27Å; F782-R784 PolarHBondContact O-N 3.44Å; F782-L785 HydrophobicContact CD2-CD1 4.01Å; F782-L785 WeakPolarHBondContact O-CB 3.17Å; F782-L785 WeakPolarHBondContact O-CG 3.47Å; F782-L785 PolarHBondContact O-N 2.68Å; F782-L785 VanDerWaalsContact O-N 3.08Å
783E86.9Confident86.5Confident127 Ų12739 Ų3959%0.59319%0.186SC*.Hα-helixtrans-64.5-29.3-179-72-55.1161.800114.5K755 R779 R781 L785K755-E783 WeakPolarHBondContact CE-O 3.25Å; K755-E783 PolarHBondContact NZ-O 2.69Å; K755-E783 IonicContact NZ-OE2 3.73Å; K755-E783 PolarHBondContact NZ-OE2 2.76Å; R779-E783 PolarHBondContact O-N 3.32Å; R781-E783 VanDerWaalsContact C-N 3.27Å; R781-E783 PolarHBondContact O-N 3.22Å; E783-L785 VanDerWaalsContact C-N 3.33Å
784R83.1Confident85.7Confident114 Ų11440.6 Ų40.643%0.4319%0.193SC..THydrogen-bonded Turntrans-81.6-2.1175.8-63.6-171.9-172.1161.212.2114.4D605 A606 C608 R781 F782D605-R784 IonicContact OD1-CZ 2.69Å; D605-R784 IonicContact OD1-NH1 3.98Å; D605-R784 PolarHBondContact OD1-NH1 2.95Å; A606-R784 PolarHBondContact O-NH1 2.71Å; C608-R784 VanDerWaalsContact SG-CZ 3.51Å; C608-R784 PolarHBondContact SG-NH1 3.46Å; R781-R784 PolarHBondContact O-N 3.31Å; F782-R784 VanDerWaalsContact C-N 3.27Å; F782-R784 PolarHBondContact O-N 3.44Å
785L81.5Confident84.6Confident13 Ų1342.8 Ų42.87%0.06820%0.201CC..SBendtrans-69.7141.2178.7-63.2180000111.8W752 K755 L758 R781 F782 E783W752-L785 HydrophobicContact CB-CD2 3.62Å; W752-L785 HydrophobicContact CD2-CD2 4.33Å; W752-L785 HydrophobicContact CG-CD2 3.97Å; K755-L785 WeakPolarHBondContact CE-O 3.36Å; K755-L785 HydrophobicContact CG-CB 3.86Å; L758-L785 HydrophobicContact CD2-CD1 3.77Å; R781-L785 HydrophobicContact CG-CD2 4.43Å; R781-L785 PolarHBondContact O-N 2.9Å; F782-L785 HydrophobicContact CD2-CD1 4.01Å; F782-L785 WeakPolarHBondContact O-CB 3.17Å; F782-L785 WeakPolarHBondContact O-CG 3.47Å; F782-L785 PolarHBondContact O-N 2.68Å; F782-L785 VanDerWaalsContact O-N 3.08Å; E783-L785 VanDerWaalsContact C-N 3.33Å
786E75.3Confident83.8Confident64 Ų6444.9 Ų44.930%0.29921%0.214SC..  trans-58.9140169.9-63-170.2160.200109.6T201 R229 S754 K755T201-E786 WeakPolarHBondContact CG2-OE1 3.3Å; T201-E786 PolarHBondContact OG1-OE1 2.99Å; R229-E786 IonicContact NH2-OE1 2.68Å; R229-E786 PolarHBondContact NH2-OE1 2.81Å; R229-E786 IonicContact NH2-OE2 2.68Å; R229-E786 PolarHBondContact NH2-OE2 3.07Å; S754-E786 CarbonylContact C-O 3.28Å; S754-E786 WeakPolarHBondContact CA-O 3.47Å; S754-E786 WeakPolarHBondContact CB-O 3.36Å; K755-E786 PolarHBondContact N-O 3.02Å
787T76.5Confident83.2Confident82 Ų8246.7 Ų46.750%0.50323%0.226SC..SBendtrans-68.9-41.4-178.7-47.60000112.1T756T756-T787 WeakPolarHBondContact CB-O 3.08Å; T756-T787 PolarHBondContact N-O 3.05Å; T756-T787 VanDerWaalsContact N-O 3.15Å; T756-T787 PolarHBondContact OG1-O 2.95Å
788H74.5Confident83Confident71 Ų7146.7 Ų46.733%0.32923%0.226SC..SBendtrans-133.5159-178.5-59.1-63.1000110.2T756T756-H788 PolarHBondContact OG1-CE1 3.33Å; T756-H788 PolarHBondContact OG1-ND1 3.23Å
789M72.9Confident82.7Confident65 Ų6548.1 Ų48.132%0.3223%0.233SC..PPolyproline II helixtrans-81.1160.9174.1-66.7-177.267.300111.9Q734 V736Q734-M789 PolarHBondContact NE2-SD 3.32Å; V736-M789 HydrophobicContact CG2-CE 3.86Å
790T75.8Confident82.4Confident30 Ų3048.2 Ų48.218%0.18424%0.238CC..PPolyproline II helixtrans-63.5132.8168.3-35.80000110.1R229 F794R229-T790 PolarHBondContact NE-OG1 3.26Å; R229-T790 PolarHBondContact NH1-OG1 3.32Å; R229-T790 PolarHBondContact NH2-OG1 2.6Å; T790-F794 HydrophobicContact CG2-CB 4.11Å
791P82.4Confident82.4Confident9 Ų947.7 Ų47.76%0.05823%0.231CC..PPolyproline II helixtrans-56144170.7-22.431.9000111.8R516 M793 F794 E822R516-P791 HydrophobicContact CB-CB 3.97Å; R516-P791 HydrophobicContact CB-CG 4.28Å; P791-M793 PolarHBondContact O-N 3.15Å; P791-F794 HydrophobicContact CB-CD2 4.12Å; P791-F794 HydrophobicContact CG-CD2 4.31Å; P791-F794 HydrophobicContact CG-CE2 4.43Å; P791-F794 PolarHBondContact O-N 3.41Å; P791-E822 VanDerWaalsContact CG-OE2 3.31Å; P791-E822 WeakPolarHBondContact CG-OE2 3.06Å
792E83.6Confident82.6Confident46 Ų4646.7 Ų46.722%0.21523%0.228CC..G310 helixtrans-66.9-24.3-173.9-174.9151.8-11100113.8R516 I518 F794 R795 T796R516-E792 PolarHBondContact O-N 2.71Å; I518-E792 HydrophobicContact CB-CB 4.15Å; I518-E792 HydrophobicContact CB-CG 4.21Å; E792-F794 PolarHBondContact O-N 3.49Å; E792-R795 VanDerWaalsContact CD-NH2 3.28Å; E792-R795 WeakPolarHBondContact O-CG 3.39Å; E792-R795 PolarHBondContact O-N 2.85Å; E792-R795 IonicContact OE1-CZ 3.61Å; E792-R795 IonicContact OE1-NH1 3.72Å; E792-R795 PolarHBondContact OE1-NH1 2.82Å; E792-R795 IonicContact OE1-NH2 2.69Å; E792-R795 PolarHBondContact OE1-NH2 2.86Å; E792-T796 WeakPolarHBondContact CG-OG1 3.36Å; E792-T796 WeakPolarHBondContact O-CB 3.41Å; E792-T796 PolarHBondContact O-N 2.98Å; E792-T796 PolarHBondContact O-OG1 2.76Å
793M86.3Confident82.7Confident4 Ų445 Ų452%0.0222%0.22CC..G310 helixtrans-62.8-19.8179.1-161.116946.100114.2I518 P791 L798 L817 A820 E822 P824I518-M793 HydrophobicContact CD1-CB 4.34Å; I518-M793 HydrophobicContact CD1-CG 4.26Å; I518-M793 HydrophobicContact CG1-CB 3.82Å; I518-M793 HydrophobicContact CG1-CG 3.95Å; P791-M793 PolarHBondContact O-N 3.15Å; M793-L798 HydrophobicContact CG-CD2 4.06Å; M793-L817 HydrophobicContact SD-CD2 4.37Å; M793-A820 HydrophobicContact CE-CB 3.69Å; M793-A820 HydrophobicContact SD-CB 4.29Å; M793-E822 WeakPolarHBondContact CE-O 3.44Å; M793-P824 HydrophobicContact CG-CB 4.09Å; M793-P824 HydrophobicContact CG-CG 4.21Å; M793-P824 HydrophobicContact SD-CG 4.21Å
794F79.7Confident82.9Confident32 Ų3240.7 Ų40.714%0.1420%0.204CC..G310 helixtrans-85.7-9.8175.3-75.1-88.2000114.2F227 T790 P791 E792 E822 P823 P825F227-F794 HydrophobicContact CD1-CD1 4.25Å; F227-F794 AromaticContact CD1-CE1 3.77Å; F227-F794 HydrophobicContact CD1-CE1 3.77Å; F227-F794 HydrophobicContact CD1-CZ 4.42Å; F227-F794 HydrophobicContact CE1-CD1 4.28Å; F227-F794 HydrophobicContact CE1-CE1 4.16Å; T790-F794 HydrophobicContact CG2-CB 4.11Å; P791-F794 HydrophobicContact CB-CD2 4.12Å; P791-F794 HydrophobicContact CG-CD2 4.31Å; P791-F794 HydrophobicContact CG-CE2 4.43Å; P791-F794 PolarHBondContact O-N 3.41Å; E792-F794 PolarHBondContact O-N 3.49Å; F794-E822 HydrophobicContact CE2-CB 3.75Å; F794-E822 WeakPolarHBondContact CE2-O 3.26Å; F794-E822 HydrophobicContact CZ-CB 4.01Å; F794-P823 WeakPolarHBondContact CE1-O 3.38Å; F794-P823 WeakPolarHBondContact CZ-O 3.43Å; F794-P825 HydrophobicContact CD1-CG 4.05Å; F794-P825 HydrophobicContact CE1-CG 4.37Å
795R75.3Confident83.3Confident46 Ų4635.3 Ų35.317%0.17418%0.184CC..SBendtrans-133.519-167.861.2172177.774.88.7114.4K737 E792K737-R795 PolarHBondContact O-NH1 3.04Å; K737-R795 VanDerWaalsContact O-NH1 3.16Å; E792-R795 VanDerWaalsContact CD-NH2 3.28Å; E792-R795 WeakPolarHBondContact O-CG 3.39Å; E792-R795 PolarHBondContact O-N 2.85Å; E792-R795 IonicContact OE1-CZ 3.61Å; E792-R795 IonicContact OE1-NH1 3.72Å; E792-R795 PolarHBondContact OE1-NH1 2.82Å; E792-R795 IonicContact OE1-NH2 2.69Å; E792-R795 PolarHBondContact OE1-NH2 2.86Å
796T79.7Confident83.8Confident45 Ų4535.4 Ų35.428%0.27618%0.184SC..SBendtrans-143.3142.1-172-47.80000110.4I518 E792I518-T796 HydrophobicContact CD1-CG2 4.48Å; E792-T796 WeakPolarHBondContact CG-OG1 3.36Å; E792-T796 WeakPolarHBondContact O-CB 3.41Å; E792-T796 PolarHBondContact O-N 2.98Å; E792-T796 PolarHBondContact O-OG1 2.76Å
797P83.7Confident84.4Confident50 Ų5033.6 Ų33.633%0.32518%0.176SC..  trans-57.3140.6172.5-24.934.4000113.1F739F739-P797 HydrophobicContact CD1-CG 3.72Å; F739-P797 HydrophobicContact CE1-CG 3.58Å; F739-P797 HydrophobicContact CE2-CG 4.48Å; F739-P797 HydrophobicContact CG-CG 4.23Å; F739-P797 HydrophobicContact CZ-CG 4Å
798L89.4Confident84.9Confident2 Ų230.6 Ų30.61%0.0116%0.157CC..  trans-97.42.5-172.3-56.3178.3000114.5I518 M793 E800 I801 A802 L817 P824 A828 V829 A832I518-L798 HydrophobicContact CD1-CD2 3.92Å; M793-L798 HydrophobicContact CG-CD2 4.06Å; L798-E800 PolarHBondContact O-N 3.28Å; L798-I801 PolarHBondContact O-N 2.82Å; L798-A802 WeakPolarHBondContact O-CB 3.23Å; L798-A802 PolarHBondContact O-N 3.01Å; L798-L817 HydrophobicContact CD1-CD1 4.24Å; L798-P824 HydrophobicContact CD1-CB 3.75Å; L798-P824 HydrophobicContact CD1-CG 3.87Å; L798-A828 HydrophobicContact CD1-CB 4.07Å; L798-V829 HydrophobicContact CD1-CG2 3.89Å; L798-A832 HydrophobicContact CB-CB 3.99Å
799H88.4Confident85.6Confident29 Ų2930.8 Ų30.813%0.13416%0.155CC..Hα-helixtrans-67.2-32-170.554.1-112.5000114.5L803 A832 L836H799-L803 PolarHBondContact O-N 3.16Å; H799-L803 VanDerWaalsContact O-N 3.11Å; H799-A832 HydrophobicContact CB-CB 4.24Å; H799-L836 HydrophobicContact CB-CD2 4.18Å; H799-L836 HydrophobicContact CB-CG 4.23Å
800E87.7Confident86.4Confident101 Ų10127.8 Ų27.847%0.47214%0.14SC..Hα-helixtrans-68.8-36.2174.6-61.7-170.5170.300111.5L798 S804L798-E800 PolarHBondContact O-N 3.28Å; E800-S804 PolarHBondContact O-N 3.22Å; E800-S804 PolarHBondContact O-OG 3.22Å
801I89.8Confident86.9Confident11 Ų1127 Ų276%0.05614%0.138CC..Hα-helixtrans-74.5-38.8176.4-68.1-175.2000110.8I518 F522 L798 L803 S804 I805 L817I518-I801 HydrophobicContact CB-CD1 4.26Å; I518-I801 HydrophobicContact CD1-CD1 3.48Å; I518-I801 VanDerWaalsContact CD1-CD1 3.48Å; I518-I801 HydrophobicContact CG1-CD1 3.4Å; I518-I801 VanDerWaalsContact CG1-CD1 3.4Å; I518-I801 HydrophobicContact CG2-CD1 4.18Å; F522-I801 HydrophobicContact CB-CD1 4.43Å; F522-I801 HydrophobicContact CD2-CG2 3.51Å; F522-I801 HydrophobicContact CE2-CG2 3.8Å; F522-I801 HydrophobicContact CG-CG2 4.26Å; L798-I801 PolarHBondContact O-N 2.82Å; I801-L803 VanDerWaalsContact C-N 3.32Å; I801-L803 PolarHBondContact O-N 3.29Å; I801-S804 CarbonylContact O-C 3.24Å; I801-S804 WeakPolarHBondContact O-CA 3.38Å; I801-S804 WeakPolarHBondContact O-CB 3.31Å; I801-S804 PolarHBondContact O-N 3.35Å; I801-I805 HydrophobicContact CG2-CD1 3.96Å; I801-I805 HydrophobicContact CG2-CG1 4.32Å; I801-I805 WeakPolarHBondContact O-CG1 3.44Å; I801-I805 PolarHBondContact O-N 3.4Å; I801-L817 HydrophobicContact CG2-CD2 4.03Å
802A92.6Very high87.3Confident0 Ų027.8 Ų27.80%015%0.147CC..Hα-helixtrans-58.4-41.7174.100000112.4L798 K806 I813 L836L798-A802 WeakPolarHBondContact O-CB 3.23Å; L798-A802 PolarHBondContact O-N 3.01Å; A802-K806 PolarHBondContact O-N 3.03Å; A802-I813 HydrophobicContact CB-CD1 3.89Å; A802-I813 HydrophobicContact CB-CG1 4.13Å; A802-I813 HydrophobicContact CB-CG2 3.76Å; A802-L836 HydrophobicContact CB-CD1 3.6Å
803L91.9Very high87.7Confident4 Ų425.7 Ų25.72%0.02114%0.138CC..Hα-helixtrans-64.2-41.5170-75.4179.7000112.4H799 I801 K806 L807 L836 A841 L848 L855 A856 P862H799-L803 PolarHBondContact O-N 3.16Å; H799-L803 VanDerWaalsContact O-N 3.11Å; I801-L803 VanDerWaalsContact C-N 3.32Å; I801-L803 PolarHBondContact O-N 3.29Å; L803-K806 PolarHBondContact O-N 3.32Å; L803-L807 WeakPolarHBondContact O-CB 3.46Å; L803-L807 PolarHBondContact O-N 2.86Å; L803-L836 HydrophobicContact CD1-CD2 3.98Å; L803-L836 HydrophobicContact CD2-CD1 4Å; L803-L836 HydrophobicContact CD2-CD2 3.93Å; L803-L836 HydrophobicContact CG-CD1 3.89Å; L803-L836 HydrophobicContact CG-CD2 3.74Å; L803-L836 HydrophobicContact CG-CG 4.49Å; L803-A841 HydrophobicContact CD2-CB 4.01Å; L803-L848 HydrophobicContact CD2-CD1 3.67Å; L803-L855 HydrophobicContact CD1-CB 4.16Å; L803-A856 HydrophobicContact CB-CB 3.94Å; L803-P862 HydrophobicContact CD1-CB 4.05Å; L803-P862 HydrophobicContact CD1-CG 3.5Å
804S90.4Very high87.8Confident37 Ų3726.7 Ų26.726%0.25915%0.149SC..Hα-helixtrans-62.6-42.5178.8-56.40000112.1E800 I801 K806 L807 L808E800-S804 PolarHBondContact O-N 3.22Å; E800-S804 PolarHBondContact O-OG 3.22Å; I801-S804 CarbonylContact O-C 3.24Å; I801-S804 WeakPolarHBondContact O-CA 3.38Å; I801-S804 WeakPolarHBondContact O-CB 3.31Å; I801-S804 PolarHBondContact O-N 3.35Å; S804-K806 VanDerWaalsContact C-N 3.31Å; S804-K806 PolarHBondContact O-N 2.91Å; S804-L807 PolarHBondContact O-N 2.83Å; S804-L808 WeakPolarHBondContact O-CB 2.97Å; S804-L808 VanDerWaalsContact O-CG 3.25Å; S804-L808 WeakPolarHBondContact O-CG 3.49Å; S804-L808 PolarHBondContact O-N 3.16Å
805I91.9Very high88.3Confident0 Ų032 Ų320%017%0.174CC..Hα-helixtrans-54.9-48.1173.6-71162.9000110.8F522 I801 R809 L810 I813 F816 L817F522-I805 HydrophobicContact CE2-CD1 4.25Å; F522-I805 HydrophobicContact CE2-CG1 3.53Å; F522-I805 HydrophobicContact CZ-CG1 4.14Å; I801-I805 HydrophobicContact CG2-CD1 3.96Å; I801-I805 HydrophobicContact CG2-CG1 4.32Å; I801-I805 WeakPolarHBondContact O-CG1 3.44Å; I801-I805 PolarHBondContact O-N 3.4Å; I805-R809 PolarHBondContact O-N 2.79Å; I805-L810 HydrophobicContact CG2-CB 4.16Å; I805-L810 PolarHBondContact O-N 3.01Å; I805-I813 HydrophobicContact CB-CG1 4.41Å; I805-I813 HydrophobicContact CD1-CB 4.46Å; I805-I813 HydrophobicContact CD1-CG2 4.04Å; I805-I813 HydrophobicContact CG2-CG1 4.17Å; I805-F816 HydrophobicContact CD1-CB 4.17Å; I805-F816 HydrophobicContact CD1-CD1 3.72Å; I805-F816 HydrophobicContact CD1-CG 4.22Å; I805-F816 HydrophobicContact CG1-CB 4.41Å; I805-F816 HydrophobicContact CG1-CD1 3.73Å; I805-F816 HydrophobicContact CG1-CE1 4.29Å; I805-F816 HydrophobicContact CG1-CG 4.11Å; I805-F816 HydrophobicContact CG2-CB 4.11Å; I805-F816 HydrophobicContact CG2-CG 4.36Å; I805-L817 HydrophobicContact CD1-CD1 4.3Å; I805-L817 HydrophobicContact CD1-CD2 4.05Å; I805-L817 HydrophobicContact CD1-CG 3.85Å
806K91.1Very high89.1Confident16 Ų1629.9 Ų29.97%0.0717%0.166CC..Hα-helixtrans-74.4-35.5-176.7-77.4-80.9164.71670112.9A802 L803 S804 R809 G811 I813 L842 D846 E847 L848A802-K806 PolarHBondContact O-N 3.03Å; L803-K806 PolarHBondContact O-N 3.32Å; S804-K806 VanDerWaalsContact C-N 3.31Å; S804-K806 PolarHBondContact O-N 2.91Å; K806-R809 PolarHBondContact O-N 2.9Å; K806-G811 WeakPolarHBondContact CE-O 3.34Å; K806-I813 HydrophobicContact CG-CD1 4.03Å; K806-I813 HydrophobicContact CG-CG1 4.06Å; K806-L842 HydrophobicContact CB-CD2 4.44Å; K806-L842 HydrophobicContact CD-CD2 4.43Å; K806-L842 HydrophobicContact CG-CD2 4.08Å; K806-D846 WeakPolarHBondContact CD-O 3.31Å; K806-D846 WeakPolarHBondContact CE-O 3.48Å; K806-D846 PolarHBondContact NZ-O 2.81Å; K806-E847 IonicContact NZ-OE1 3.09Å; K806-E847 PolarHBondContact NZ-OE1 3.21Å; K806-E847 IonicContact NZ-OE2 2.77Å; K806-E847 PolarHBondContact NZ-OE2 3.43Å; K806-L848 HydrophobicContact CB-CB 4.29Å; K806-L848 HydrophobicContact CB-CD1 4.18Å
807L88.6Confident89.7Confident26 Ų2628 Ų2814%0.13615%0.154CC..Hα-helixtrans-63.5-43.1173.2-178.465.5000111.4E499 L803 S804 R809 L848 A856 K857E499-L807 HydrophobicContact CG-CD1 4.43Å; E499-L807 HydrophobicContact CG-CD2 4.47Å; E499-L807 HydrophobicContact CG-CG 4.27Å; L803-L807 WeakPolarHBondContact O-CB 3.46Å; L803-L807 PolarHBondContact O-N 2.86Å; S804-L807 PolarHBondContact O-N 2.83Å; L807-R809 PolarHBondContact O-N 2.86Å; L807-L848 HydrophobicContact CB-CD2 4.22Å; L807-L848 HydrophobicContact CD1-CD2 4.27Å; L807-A856 HydrophobicContact CB-CB 3.98Å; L807-A856 HydrophobicContact CD1-CB 4.35Å; L807-A856 HydrophobicContact CD2-CB 3.94Å; L807-A856 HydrophobicContact CG-CB 4.31Å; L807-K857 HydrophobicContact CD2-CG 4.41Å
808L87.6Confident90Very high19 Ų1928.7 Ų28.710%0.09916%0.164CC..THydrogen-bonded Turntrans-79.31.7177.9-61.9179.5000113.9L498 E499 F522 S804 L810L498-L808 VanDerWaalsContact C-CD2 3.43Å; L498-L808 HydrophobicContact CB-CD1 3.96Å; L498-L808 HydrophobicContact CB-CD2 3.62Å; L498-L808 HydrophobicContact CB-CG 4.46Å; L498-L808 HydrophobicContact CD1-CD1 3.82Å; E499-L808 HydrophobicContact CB-CD2 4.27Å; E499-L808 VanDerWaalsContact N-CD2 3.33Å; F522-L808 HydrophobicContact CE1-CD1 4.19Å; F522-L808 HydrophobicContact CZ-CD1 4.25Å; S804-L808 WeakPolarHBondContact O-CB 2.97Å; S804-L808 VanDerWaalsContact O-CG 3.25Å; S804-L808 WeakPolarHBondContact O-CG 3.49Å; S804-L808 PolarHBondContact O-N 3.16Å; L808-L810 VanDerWaalsContact C-N 3.27Å; L808-L810 HydrophobicContact CB-CD1 3.65Å; L808-L810 HydrophobicContact CB-CD2 4.42Å; L808-L810 HydrophobicContact CB-CG 3.66Å; L808-L810 HydrophobicContact CD1-CD1 3.9Å; L808-L810 HydrophobicContact CG-CD1 4.43Å; L808-L810 PolarHBondContact O-N 2.84Å
809R88.4Confident90.1Very high74 Ų7431 Ų3128%0.27917%0.174SC..THydrogen-bonded Turntrans56.732.7-179.8-50.1-176.2-171-175.21.7114.2E22 R24 G328 I805 K806 L807 G811E22-R809 IonicContact OE2-NH2 3.47Å; R24-R809 VanDerWaalsContact NH2-NH2 3.18Å; G328-R809 WeakPolarHBondContact CA-O 3.02Å; G328-R809 PolarHBondContact N-O 3.22Å; I805-R809 PolarHBondContact O-N 2.79Å; K806-R809 PolarHBondContact O-N 2.9Å; L807-R809 PolarHBondContact O-N 2.86Å; R809-G811 PolarHBondContact O-N 3.34Å; R809-G811 VanDerWaalsContact O-N 3.1Å
810L89.1Confident90.2Very high3 Ų329.9 Ų29.92%0.01617%0.17CC..  trans-81.219.6-174-59.9169.4000114.2V330 F522 V526 I805 L808 F816V330-L810 HydrophobicContact CG2-CD2 4.24Å; F522-L810 HydrophobicContact CZ-CD1 3.99Å; V526-L810 HydrophobicContact CG2-CD1 3.81Å; I805-L810 HydrophobicContact CG2-CB 4.16Å; I805-L810 PolarHBondContact O-N 3.01Å; L808-L810 VanDerWaalsContact C-N 3.27Å; L808-L810 HydrophobicContact CB-CD1 3.65Å; L808-L810 HydrophobicContact CB-CD2 4.42Å; L808-L810 HydrophobicContact CB-CG 3.66Å; L808-L810 HydrophobicContact CD1-CD1 3.9Å; L808-L810 HydrophobicContact CG-CD1 4.43Å; L808-L810 PolarHBondContact O-N 2.84Å; L810-F816 HydrophobicContact CB-CD2 3.67Å; L810-F816 HydrophobicContact CB-CE2 3.83Å; L810-F816 HydrophobicContact CB-CG 4.44Å; L810-F816 HydrophobicContact CD1-CD2 4.3Å; L810-F816 HydrophobicContact CD1-CE2 3.7Å; L810-F816 HydrophobicContact CD1-CZ 3.89Å; L810-F816 HydrophobicContact CD2-CE2 4.35Å; L810-F816 HydrophobicContact CG-CD2 4.49Å; L810-F816 HydrophobicContact CG-CE2 4.17Å
811G88.3Confident90.3Very high14 Ų1426.2 Ų26.214%0.14415%0.153CC..SBendtrans86.5-151.2179.700000114.8K806 R809K806-G811 WeakPolarHBondContact CE-O 3.34Å; R809-G811 PolarHBondContact O-N 3.34Å; R809-G811 VanDerWaalsContact O-N 3.1Å
812G89Confident90.1Very high24 Ų2428.7 Ų28.725%0.24717%0.165CC..  trans-74139.4179.900000112.8Q815 F816G812-Q815 PolarHBondContact O-N 2.99Å; G812-F816 WeakPolarHBondContact O-CB 3.42Å; G812-F816 PolarHBondContact O-N 2.84Å
813I92.4Very high89.8Confident3 Ų331.5 Ų31.52%0.01518%0.183CC..Hα-helixtrans-60.2-55.2-172.6-65.5152.1000111.5A802 I805 K806 Q815 F816 L817 V829 E833 L842A802-I813 HydrophobicContact CB-CD1 3.89Å; A802-I813 HydrophobicContact CB-CG1 4.13Å; A802-I813 HydrophobicContact CB-CG2 3.76Å; I805-I813 HydrophobicContact CB-CG1 4.41Å; I805-I813 HydrophobicContact CD1-CB 4.46Å; I805-I813 HydrophobicContact CD1-CG2 4.04Å; I805-I813 HydrophobicContact CG2-CG1 4.17Å; K806-I813 HydrophobicContact CG-CD1 4.03Å; K806-I813 HydrophobicContact CG-CG1 4.06Å; I813-Q815 VanDerWaalsContact C-N 3.31Å; I813-Q815 PolarHBondContact O-N 3.4Å; I813-F816 PolarHBondContact O-N 2.66Å; I813-L817 HydrophobicContact CG2-CD1 3.9Å; I813-L817 WeakPolarHBondContact O-CG 3.48Å; I813-L817 PolarHBondContact O-N 3.38Å; I813-V829 HydrophobicContact CG2-CG1 4.13Å; I813-E833 HydrophobicContact CB-CG 4.29Å; I813-E833 WeakPolarHBondContact CB-OE1 3.47Å; I813-E833 HydrophobicContact CD1-CG 3.9Å; I813-E833 HydrophobicContact CG2-CG 4.34Å; I813-L842 HydrophobicContact CD1-CD1 3.86Å
814G89.6Confident89.6Confident24 Ų2432 Ų3225%0.24719%0.187CC..Hα-helixtrans-62.2-32.6175.500000114.6A818G814-A818 VanDerWaalsContact O-CB 3.26Å; G814-A818 WeakPolarHBondContact O-CB 3.27Å; G814-A818 PolarHBondContact O-N 2.86Å
815Q89.2Confident89.3Confident143 Ų14330.9 Ų30.967%0.66818%0.178SC*.Hα-helixtrans-68.7-39.4176.3-66.9177.7-11.900111.8G812 I813G812-Q815 PolarHBondContact O-N 2.99Å; I813-Q815 VanDerWaalsContact C-N 3.31Å; I813-Q815 PolarHBondContact O-N 3.4Å
816F92.2Very high88.9Confident3 Ų332.9 Ų32.91%0.01319%0.189CC..Hα-helixtrans-68.8-49176.7-175.1-86.7000111.4F522 V525 V526 I805 L810 G812 I813 A818 K819F522-F816 HydrophobicContact CD2-CD1 4.36Å; F522-F816 AromaticContact CD2-CE1 3.56Å; F522-F816 HydrophobicContact CD2-CE1 3.56Å; F522-F816 HydrophobicContact CD2-CZ 4.33Å; F522-F816 AromaticContact CE2-CD1 3.94Å; F522-F816 HydrophobicContact CE2-CD1 3.94Å; F522-F816 AromaticContact CE2-CE1 3.26Å; F522-F816 HydrophobicContact CE2-CE1 3.26Å; F522-F816 AromaticContact CE2-CZ 3.87Å; F522-F816 HydrophobicContact CE2-CZ 3.87Å; F522-F816 HydrophobicContact CZ-CE1 4.2Å; F522-F816 HydrophobicContact CZ-CZ 4.4Å; V525-F816 HydrophobicContact CB-CE1 3.73Å; V525-F816 HydrophobicContact CB-CE2 4.29Å; V525-F816 HydrophobicContact CB-CZ 3.49Å; V525-F816 VanDerWaalsContact CB-CZ 3.49Å; V525-F816 HydrophobicContact CG1-CD1 4.28Å; V525-F816 HydrophobicContact CG1-CD2 4.25Å; V525-F816 HydrophobicContact CG1-CE1 3.65Å; V525-F816 HydrophobicContact CG1-CE2 3.62Å; V525-F816 HydrophobicContact CG1-CZ 3.3Å; V525-F816 HydrophobicContact CG2-CE1 4.23Å; V525-F816 HydrophobicContact CG2-CZ 4.46Å; V526-F816 HydrophobicContact CG2-CE2 4.42Å; V526-F816 HydrophobicContact CG2-CZ 3.77Å; I805-F816 HydrophobicContact CD1-CB 4.17Å; I805-F816 HydrophobicContact CD1-CD1 3.72Å; I805-F816 HydrophobicContact CD1-CG 4.22Å; I805-F816 HydrophobicContact CG1-CB 4.41Å; I805-F816 HydrophobicContact CG1-CD1 3.73Å; I805-F816 HydrophobicContact CG1-CE1 4.29Å; I805-F816 HydrophobicContact CG1-CG 4.11Å; I805-F816 HydrophobicContact CG2-CB 4.11Å; I805-F816 HydrophobicContact CG2-CG 4.36Å; L810-F816 HydrophobicContact CB-CD2 3.67Å; L810-F816 HydrophobicContact CB-CE2 3.83Å; L810-F816 HydrophobicContact CB-CG 4.44Å; L810-F816 HydrophobicContact CD1-CD2 4.3Å; L810-F816 HydrophobicContact CD1-CE2 3.7Å; L810-F816 HydrophobicContact CD1-CZ 3.89Å; L810-F816 HydrophobicContact CD2-CE2 4.35Å; L810-F816 HydrophobicContact CG-CD2 4.49Å; L810-F816 HydrophobicContact CG-CE2 4.17Å; G812-F816 WeakPolarHBondContact O-CB 3.42Å; G812-F816 PolarHBondContact O-N 2.84Å; I813-F816 PolarHBondContact O-N 2.66Å; F816-A818 VanDerWaalsContact C-N 3.26Å; F816-A818 PolarHBondContact O-N 2.85Å; F816-K819 VanDerWaalsContact O-CB 3.28Å; F816-K819 WeakPolarHBondContact O-CB 3.46Å; F816-K819 PolarHBondContact O-N 3.26Å
817L92Very high88.5Confident4 Ų432.6 Ų32.62%0.02119%0.188CC..Hα-helixtrans-65.4-28.6-179.3-67.9172.6000112.9M793 L798 I801 I805 I813 K819 A820 P824 V829M793-L817 HydrophobicContact SD-CD2 4.37Å; L798-L817 HydrophobicContact CD1-CD1 4.24Å; I801-L817 HydrophobicContact CG2-CD2 4.03Å; I805-L817 HydrophobicContact CD1-CD1 4.3Å; I805-L817 HydrophobicContact CD1-CD2 4.05Å; I805-L817 HydrophobicContact CD1-CG 3.85Å; I813-L817 HydrophobicContact CG2-CD1 3.9Å; I813-L817 WeakPolarHBondContact O-CG 3.48Å; I813-L817 PolarHBondContact O-N 3.38Å; L817-K819 PolarHBondContact O-N 3.16Å; L817-A820 WeakPolarHBondContact O-CB 3.37Å; L817-A820 PolarHBondContact O-N 3.14Å; L817-A820 VanDerWaalsContact O-N 3.1Å; L817-P824 HydrophobicContact CB-CG 3.94Å; L817-P824 HydrophobicContact CD1-CG 4.24Å; L817-P824 HydrophobicContact CG-CG 4.47Å; L817-V829 HydrophobicContact CD1-CG1 4.35Å; L817-V829 HydrophobicContact CD1-CG2 3.85Å
818A89.7Confident88.3Confident65 Ų6532.8 Ų32.854%0.53719%0.193SC..THydrogen-bonded Turntrans-62.8-15.7170.600000114G814 F816 P823G814-A818 VanDerWaalsContact O-CB 3.26Å; G814-A818 WeakPolarHBondContact O-CB 3.27Å; G814-A818 PolarHBondContact O-N 2.86Å; F816-A818 VanDerWaalsContact C-N 3.26Å; F816-A818 PolarHBondContact O-N 2.85Å; A818-P823 WeakPolarHBondContact O-CG 3.33Å
819K91.8Very high88.4Confident50 Ų5032.1 Ų32.122%0.21719%0.19CC..THydrogen-bonded Turntrans-88.7-5.7174.7-60.1-173.1-56.9176.70113.7V525 R528 D529 Y554 F816 L817V525-K819 HydrophobicContact CG1-CB 3.75Å; R528-K819 PolarHBondContact NH1-O 3.39Å; D529-K819 IonicContact OD1-NZ 2.71Å; D529-K819 PolarHBondContact OD1-NZ 3.03Å; D529-K819 IonicContact OD2-NZ 3.22Å; D529-K819 PolarHBondContact OD2-NZ 2.98Å; Y554-K819 WeakPolarHBondContact CE2-O 3.17Å; Y554-K819 VanDerWaalsContact CZ-O 3.32Å; Y554-K819 PolarHBondContact OH-O 3Å; F816-K819 VanDerWaalsContact O-CB 3.28Å; F816-K819 WeakPolarHBondContact O-CB 3.46Å; F816-K819 PolarHBondContact O-N 3.26Å; L817-K819 PolarHBondContact O-N 3.16Å
820A91.9Very high88.5Confident7 Ų729.9 Ų29.96%0.05818%0.184CC..SBendtrans-64.1161.3178.400000112.6V525 M793 L817 E822 P823V525-A820 HydrophobicContact CG2-CB 3.93Å; M793-A820 HydrophobicContact CE-CB 3.69Å; M793-A820 HydrophobicContact SD-CB 4.29Å; L817-A820 WeakPolarHBondContact O-CB 3.37Å; L817-A820 PolarHBondContact O-N 3.14Å; L817-A820 VanDerWaalsContact O-N 3.1Å; A820-E822 VanDerWaalsContact C-N 3.29Å; A820-E822 PolarHBondContact O-N 3.47Å; A820-P823 WeakPolarHBondContact O-CD 3.17Å
821I88.1Confident88.3Confident23 Ų2331.1 Ų31.112%0.11819%0.189CC..SBendtrans-55.6-47.8-178.1-60.9173.2000110.3L524 M550 F551 Y554L524-I821 HydrophobicContact CB-CD1 4.46Å; L524-I821 HydrophobicContact CD1-CD1 3.67Å; M550-I821 HydrophobicContact CG-CG2 3.46Å; M550-I821 VanDerWaalsContact CG-CG2 3.46Å; M550-I821 HydrophobicContact SD-CG2 3.4Å; M550-I821 WeakPolarHBondContact SD-CG2 3.45Å; F551-I821 HydrophobicContact CD1-CD1 3.76Å; F551-I821 HydrophobicContact CE1-CD1 3.6Å; Y554-I821 HydrophobicContact CD1-CD1 4.46Å; Y554-I821 HydrophobicContact CD1-CG1 3.9Å; Y554-I821 HydrophobicContact CD2-CB 4.23Å; Y554-I821 HydrophobicContact CD2-CG1 3.71Å; Y554-I821 HydrophobicContact CE1-CG1 3.95Å; Y554-I821 HydrophobicContact CE2-CB 4.31Å; Y554-I821 HydrophobicContact CE2-CG1 3.75Å; Y554-I821 HydrophobicContact CG-CG1 3.78Å
822E85.4Confident88.4Confident64 Ų6430.7 Ų30.730%0.29918%0.184SC..SBendtrans-128.999.8169.7-70.9168.910600108R516 M550 P791 M793 F794 A820R516-E822 IonicContact CZ-OE2 2.58Å; R516-E822 IonicContact NH1-OE2 2.75Å; R516-E822 PolarHBondContact NH1-OE2 2.82Å; R516-E822 IonicContact NH2-OE2 3.75Å; R516-E822 PolarHBondContact NH2-OE2 3.06Å; M550-E822 HydrophobicContact CE-CG 4.48Å; P791-E822 VanDerWaalsContact CG-OE2 3.31Å; P791-E822 WeakPolarHBondContact CG-OE2 3.06Å; M793-E822 WeakPolarHBondContact CE-O 3.44Å; F794-E822 HydrophobicContact CE2-CB 3.75Å; F794-E822 WeakPolarHBondContact CE2-O 3.26Å; F794-E822 HydrophobicContact CZ-CB 4.01Å; A820-E822 VanDerWaalsContact C-N 3.29Å; A820-E822 PolarHBondContact O-N 3.47Å
823P87.1Confident88.6Confident59 Ų5931 Ų3138%0.38318%0.18SC..PPolyproline II helixtrans-61.6143.3-173.6-28.737.4000114.3F794 A818 A820F794-P823 WeakPolarHBondContact CE1-O 3.38Å; F794-P823 WeakPolarHBondContact CZ-O 3.43Å; A818-P823 WeakPolarHBondContact O-CG 3.33Å; A820-P823 WeakPolarHBondContact O-CD 3.17Å
824P88Confident88.4Confident14 Ų1433.3 Ų33.39%0.09119%0.19CC..PPolyproline II helixtrans-67.1161.1177.625.8-31.6000112.9M793 L798 L817 L826 V829M793-P824 HydrophobicContact CG-CB 4.09Å; M793-P824 HydrophobicContact CG-CG 4.21Å; M793-P824 HydrophobicContact SD-CG 4.21Å; L798-P824 HydrophobicContact CD1-CB 3.75Å; L798-P824 HydrophobicContact CD1-CG 3.87Å; L817-P824 HydrophobicContact CB-CG 3.94Å; L817-P824 HydrophobicContact CD1-CG 4.24Å; L817-P824 HydrophobicContact CG-CG 4.47Å; P824-L826 PolarHBondContact O-N 3.32Å; P824-V829 HydrophobicContact CG-CG2 4.06Å
825P82.9Confident88.4Confident13 Ų1334.1 Ų34.18%0.08419%0.19CC..PPolyproline II helixtrans-55.9134.6170.9-24.836.3000112.4F794 D827 A828 V829F794-P825 HydrophobicContact CD1-CG 4.05Å; F794-P825 HydrophobicContact CE1-CG 4.37Å; P825-D827 VanDerWaalsContact C-N 3.29Å; P825-D827 WeakPolarHBondContact CB-OD1 3.4Å; P825-D827 PolarHBondContact O-N 2.8Å; P825-A828 PolarHBondContact O-N 3.2Å; P825-V829 PolarHBondContact O-N 3.23Å
826L85.1Confident88.6Confident43 Ų4327.3 Ų27.323%0.22516%0.158CC..Hα-helixtrans-65.4-31.1-174.518061.1000113.1Q249 H252 L253 P824 V829 I830Q249-L826 HydrophobicContact CG-CB 4.29Å; H252-L826 HydrophobicContact CB-CD2 3.71Å; H252-L826 HydrophobicContact CB-CG 4.17Å; L253-L826 HydrophobicContact CD2-CD2 3.8Å; L253-L826 HydrophobicContact CG-CD2 3.92Å; P824-L826 PolarHBondContact O-N 3.32Å; L826-V829 PolarHBondContact O-N 2.91Å; L826-I830 HydrophobicContact CD1-CD1 4.17Å; L826-I830 HydrophobicContact CD1-CG1 4.48Å; L826-I830 HydrophobicContact CG-CD1 3.94Å; L826-I830 WeakPolarHBondContact O-CG1 3.49Å; L826-I830 PolarHBondContact O-N 3.08Å; L826-I830 VanDerWaalsContact O-N 3.08Å
827D81.8Confident88.6Confident9 Ų931.5 Ų31.55%0.04817%0.174CC..Hα-helixtrans-60.5-45.3172.145.9-22.3000112.1S245 R248 Q249 P825 V829 I830 E831S245-D827 VanDerWaalsContact CA-OD2 3.26Å; S245-D827 WeakPolarHBondContact CA-OD2 3.19Å; S245-D827 VanDerWaalsContact CB-OD2 3.31Å; S245-D827 WeakPolarHBondContact CB-OD2 3.26Å; S245-D827 PolarHBondContact OG-OD1 2.78Å; S245-D827 PolarHBondContact OG-OD2 2.89Å; R248-D827 HydrophobicContact CB-CB 3.92Å; Q249-D827 WeakPolarHBondContact CG-OD1 3.34Å; P825-D827 VanDerWaalsContact C-N 3.29Å; P825-D827 WeakPolarHBondContact CB-OD1 3.4Å; P825-D827 PolarHBondContact O-N 2.8Å; D827-V829 VanDerWaalsContact C-N 3.28Å; D827-V829 PolarHBondContact O-N 2.89Å; D827-I830 PolarHBondContact O-N 2.88Å; D827-E831 WeakPolarHBondContact O-CG 3.38Å; D827-E831 PolarHBondContact O-N 3.38Å
828A84.6Confident88.5Confident30 Ų3035 Ų3525%0.24819%0.19CC..Hα-helixtrans-63.9-31.9176.200000113.1L798 P825 A832L798-A828 HydrophobicContact CD1-CB 4.07Å; P825-A828 PolarHBondContact O-N 3.2Å; A828-A832 PolarHBondContact O-N 3.04Å
829V90Very high88.5Confident5 Ų532.4 Ų32.43%0.0317%0.167CC..Hα-helixtrans-66.6-47.4173.5178.20000110.9L798 I813 L817 P824 P825 L826 D827 E831 A832 E833L798-V829 HydrophobicContact CD1-CG2 3.89Å; I813-V829 HydrophobicContact CG2-CG1 4.13Å; L817-V829 HydrophobicContact CD1-CG1 4.35Å; L817-V829 HydrophobicContact CD1-CG2 3.85Å; P824-V829 HydrophobicContact CG-CG2 4.06Å; P825-V829 PolarHBondContact O-N 3.23Å; L826-V829 PolarHBondContact O-N 2.91Å; D827-V829 VanDerWaalsContact C-N 3.28Å; D827-V829 PolarHBondContact O-N 2.89Å; V829-E831 VanDerWaalsContact C-N 3.34Å; V829-E831 PolarHBondContact O-N 2.66Å; V829-A832 WeakPolarHBondContact O-CB 3.46Å; V829-A832 PolarHBondContact O-N 3.35Å; V829-A832 VanDerWaalsContact O-N 3.16Å; V829-E833 PolarHBondContact O-N 3.32Å
830I89.4Confident88.6Confident28 Ų2830.9 Ų30.914%0.14416%0.161CC..Hα-helixtrans-68-34.7-178-70.8167.4000111.4L172 H252 L826 D827 H834L172-I830 HydrophobicContact CD1-CG2 4.09Å; L172-I830 HydrophobicContact CD2-CG2 4.16Å; L172-I830 HydrophobicContact CG-CG2 4.05Å; H252-I830 HydrophobicContact CB-CD1 3.68Å; H252-I830 VanDerWaalsContact CD2-CD1 3.46Å; H252-I830 WeakPolarHBondContact CD2-CD1 3.42Å; L826-I830 HydrophobicContact CD1-CD1 4.17Å; L826-I830 HydrophobicContact CD1-CG1 4.48Å; L826-I830 HydrophobicContact CG-CD1 3.94Å; L826-I830 WeakPolarHBondContact O-CG1 3.49Å; L826-I830 PolarHBondContact O-N 3.08Å; L826-I830 VanDerWaalsContact O-N 3.08Å; D827-I830 PolarHBondContact O-N 2.88Å; I830-H834 VanDerWaalsContact O-CB 3.22Å; I830-H834 WeakPolarHBondContact O-CB 3.35Å; I830-H834 PolarHBondContact O-N 3.19Å
831E86.4Confident88.7Confident28 Ų2830.5 Ų30.513%0.13116%0.159CC..Hα-helixtrans-61.6-41170.8-73.4175.1-162.100112.3N169 L172 H173 R248 A741 D827 V829 T835N169-E831 PolarHBondContact ND2-OE1 2.99Å; N169-E831 PolarHBondContact ND2-OE2 3.01Å; L172-E831 HydrophobicContact CD2-CG 4.02Å; H173-E831 IonicContact CE1-OE1 3.84Å; H173-E831 PolarHBondContact CE1-OE1 3.35Å; H173-E831 WeakPolarHBondContact NE2-CG 3.41Å; H173-E831 IonicContact NE2-OE1 3.25Å; H173-E831 PolarHBondContact NE2-OE1 2.97Å; R248-E831 IonicContact NH1-OE1 3.32Å; R248-E831 PolarHBondContact NH1-OE1 3.1Å; A741-E831 VanDerWaalsContact CB-OE2 3.3Å; A741-E831 WeakPolarHBondContact CB-OE2 3.36Å; D827-E831 WeakPolarHBondContact O-CG 3.38Å; D827-E831 PolarHBondContact O-N 3.38Å; V829-E831 VanDerWaalsContact C-N 3.34Å; V829-E831 PolarHBondContact O-N 2.66Å; E831-T835 WeakPolarHBondContact O-CB 3.32Å; E831-T835 PolarHBondContact O-N 3.23Å; E831-T835 PolarHBondContact O-OG1 3.47Å
832A90.2Very high89Confident5 Ų529.6 Ų29.64%0.04115%0.154CC..Hα-helixtrans-66.9-48176.500000111.8L798 H799 A828 V829 H834 T835 L836L798-A832 HydrophobicContact CB-CB 3.99Å; H799-A832 HydrophobicContact CB-CB 4.24Å; A828-A832 PolarHBondContact O-N 3.04Å; V829-A832 WeakPolarHBondContact O-CB 3.46Å; V829-A832 PolarHBondContact O-N 3.35Å; V829-A832 VanDerWaalsContact O-N 3.16Å; A832-H834 PolarHBondContact O-N 3.32Å; A832-T835 PolarHBondContact O-N 3.1Å; A832-L836 WeakPolarHBondContact O-CG 3.28Å; A832-L836 PolarHBondContact O-N 3.39Å
833E92Very high89.3Confident32 Ų3227.1 Ų27.115%0.1514%0.143CC..Hα-helixtrans-58.9-44.5175.7-72.2173.7167.500111.7I813 V829 L836 R837I813-E833 HydrophobicContact CB-CG 4.29Å; I813-E833 WeakPolarHBondContact CB-OE1 3.47Å; I813-E833 HydrophobicContact CD1-CG 3.9Å; I813-E833 HydrophobicContact CG2-CG 4.34Å; V829-E833 PolarHBondContact O-N 3.32Å; E833-L836 PolarHBondContact O-N 2.86Å; E833-R837 PolarHBondContact O-N 3.1Å
834H90.1Very high89.3Confident51 Ų5128.3 Ų28.324%0.23616%0.158CC..Hα-helixtrans-61.6-49.7176.1178.556.6000111.6L172 I830 A832 L836 R837 E838L172-H834 HydrophobicContact CD1-CB 3.97Å; L172-H834 HydrophobicContact CD2-CB 3.74Å; I830-H834 VanDerWaalsContact O-CB 3.22Å; I830-H834 WeakPolarHBondContact O-CB 3.35Å; I830-H834 PolarHBondContact O-N 3.19Å; A832-H834 PolarHBondContact O-N 3.32Å; H834-L836 VanDerWaalsContact C-N 3.29Å; H834-L836 PolarHBondContact O-N 3.2Å; H834-R837 PolarHBondContact O-N 2.63Å; H834-R837 VanDerWaalsContact O-N 3.14Å; H834-E838 IonicContact CE1-OE1 3.24Å; H834-E838 PolarHBondContact CE1-OE1 2.79Å; H834-E838 VanDerWaalsContact CE1-OE1 3.25Å; H834-E838 IonicContact NE2-OE1 3.67Å; H834-E838 PolarHBondContact NE2-OE1 3.06Å; H834-E838 WeakPolarHBondContact O-CG 3.45Å; H834-E838 PolarHBondContact O-N 3.34Å
835T89.3Confident89.3Confident40 Ų4030.5 Ų30.525%0.24517%0.168CC..Hα-helixtrans-58.3-41.1179.8-59.30000112E831 A832 E838 L839E831-T835 WeakPolarHBondContact O-CB 3.32Å; E831-T835 PolarHBondContact O-N 3.23Å; E831-T835 PolarHBondContact O-OG1 3.47Å; A832-T835 PolarHBondContact O-N 3.1Å; T835-E838 PolarHBondContact O-N 3.4Å; T835-L839 HydrophobicContact CG2-CD1 4.31Å; T835-L839 WeakPolarHBondContact O-CG 3.46Å; T835-L839 PolarHBondContact O-N 3.36Å; T835-L839 VanDerWaalsContact O-N 3.1Å
836L93.3Very high89.7Confident0 Ų031.9 Ų31.90%018%0.175CC..Hα-helixtrans-70.4-33.9178.2-68.3178.8000113H799 A802 L803 A832 E833 H834 D840 A841 L842 P862H799-L836 HydrophobicContact CB-CD2 4.18Å; H799-L836 HydrophobicContact CB-CG 4.23Å; A802-L836 HydrophobicContact CB-CD1 3.6Å; L803-L836 HydrophobicContact CD1-CD2 3.98Å; L803-L836 HydrophobicContact CD2-CD1 4Å; L803-L836 HydrophobicContact CD2-CD2 3.93Å; L803-L836 HydrophobicContact CG-CD1 3.89Å; L803-L836 HydrophobicContact CG-CD2 3.74Å; L803-L836 HydrophobicContact CG-CG 4.49Å; A832-L836 WeakPolarHBondContact O-CG 3.28Å; A832-L836 PolarHBondContact O-N 3.39Å; E833-L836 PolarHBondContact O-N 2.86Å; H834-L836 VanDerWaalsContact C-N 3.29Å; H834-L836 PolarHBondContact O-N 3.2Å; L836-D840 PolarHBondContact O-N 3.01Å; L836-A841 HydrophobicContact CB-CB 4.28Å; L836-A841 HydrophobicContact CD2-CB 4.09Å; L836-A841 WeakPolarHBondContact O-CB 3.5Å; L836-A841 PolarHBondContact O-N 2.99Å; L836-L842 HydrophobicContact CB-CD1 3.79Å; L836-L842 HydrophobicContact CB-CG 3.87Å; L836-L842 HydrophobicContact CD1-CD1 4.06Å; L836-L842 HydrophobicContact CD1-CG 4.42Å; L836-L842 PolarHBondContact O-N 2.96Å; L836-P862 HydrophobicContact CD2-CB 4.25Å; L836-P862 HydrophobicContact CD2-CG 4.07Å
837R92.1Very high89.9Confident91 Ų9130.8 Ų30.834%0.34317%0.169SC..Hα-helixtrans-67.2-40.3169.9-78.4-174.6-86.7128.31.4112.2E833 H834 L839 D840 L842 D846E833-R837 PolarHBondContact O-N 3.1Å; H834-R837 PolarHBondContact O-N 2.63Å; H834-R837 VanDerWaalsContact O-N 3.14Å; R837-L839 VanDerWaalsContact C-N 3.27Å; R837-L839 PolarHBondContact O-N 3.13Å; R837-D840 PolarHBondContact O-N 2.87Å; R837-D840 VanDerWaalsContact O-N 3.1Å; R837-L842 HydrophobicContact CG-CB 3.92Å; R837-D846 VanDerWaalsContact CD-OD1 3.23Å; R837-D846 WeakPolarHBondContact CD-OD1 3.37Å; R837-D846 IonicContact CZ-OD1 3.14Å; R837-D846 IonicContact NE-OD1 3.85Å; R837-D846 PolarHBondContact NE-OD1 3.06Å
838E88.8Confident90.5Very high79 Ų7930.7 Ų30.737%0.36917%0.168SC..Hα-helixtrans-62-36.8175.6-62.1-146.1135.100112.2H834 T835 D840 K1073H834-E838 IonicContact CE1-OE1 3.24Å; H834-E838 PolarHBondContact CE1-OE1 2.79Å; H834-E838 VanDerWaalsContact CE1-OE1 3.25Å; H834-E838 IonicContact NE2-OE1 3.67Å; H834-E838 PolarHBondContact NE2-OE1 3.06Å; H834-E838 WeakPolarHBondContact O-CG 3.45Å; H834-E838 PolarHBondContact O-N 3.34Å; T835-E838 PolarHBondContact O-N 3.4Å; E838-D840 VanDerWaalsContact C-N 3.26Å; E838-D840 PolarHBondContact O-N 3.23Å; E838-K1073 VanDerWaalsContact OE1-CE 3.28Å; E838-K1073 WeakPolarHBondContact OE1-CE 3.25Å; E838-K1073 IonicContact OE1-NZ 2.76Å; E838-K1073 PolarHBondContact OE1-NZ 2.98Å; E838-K1073 IonicContact OE2-NZ 2.92Å; E838-K1073 PolarHBondContact OE2-NZ 3.01Å
839L91.2Very high90.9Very high10 Ų1029.3 Ų29.35%0.05216%0.157CC..THydrogen-bonded Turntrans-76.6-3.1176.2-70.6174.6000114.5T835 R837 A841 L851 P862 R863 K866 F997T835-L839 HydrophobicContact CG2-CD1 4.31Å; T835-L839 WeakPolarHBondContact O-CG 3.46Å; T835-L839 PolarHBondContact O-N 3.36Å; T835-L839 VanDerWaalsContact O-N 3.1Å; R837-L839 VanDerWaalsContact C-N 3.27Å; R837-L839 PolarHBondContact O-N 3.13Å; L839-A841 PolarHBondContact O-N 3.5Å; L839-L851 VanDerWaalsContact O-CD2 3.3Å; L839-L851 WeakPolarHBondContact O-CD2 3.46Å; L839-P862 HydrophobicContact CD1-CB 3.91Å; L839-R863 HydrophobicContact CD2-CG 4.42Å; L839-K866 HydrophobicContact CD2-CD 4.5Å; L839-K866 WeakPolarHBondContact O-CD 3.39Å; L839-K866 PolarHBondContact O-NZ 3.27Å; L839-F997 HydrophobicContact CD2-CZ 4.22Å
840D92.9Very high91.1Very high17 Ų1731.2 Ų31.29%0.09117%0.169CC..THydrogen-bonded Turntrans5825.4-169.4-52.2-77.2000114.1K314 F318 L836 R837 E838 T849 L851 K866K314-D840 IonicContact NZ-OD1 3.42Å; K314-D840 PolarHBondContact NZ-OD1 2.92Å; K314-D840 IonicContact NZ-OD2 2.6Å; K314-D840 PolarHBondContact NZ-OD2 3.37Å; F318-D840 HydrophobicContact CD2-CB 4.12Å; F318-D840 HydrophobicContact CE2-CB 3.79Å; L836-D840 PolarHBondContact O-N 3.01Å; R837-D840 PolarHBondContact O-N 2.87Å; R837-D840 VanDerWaalsContact O-N 3.1Å; E838-D840 VanDerWaalsContact C-N 3.26Å; E838-D840 PolarHBondContact O-N 3.23Å; D840-T849 WeakPolarHBondContact O-CB 3.34Å; D840-T849 WeakPolarHBondContact O-CG2 3.34Å; D840-T849 PolarHBondContact O-OG1 3.08Å; D840-L851 HydrophobicContact CB-CD2 4.03Å; D840-K866 IonicContact OD2-NZ 2.78Å; D840-K866 PolarHBondContact OD2-NZ 2.99Å
841A94.6Very high91.4Very high0 Ų029.9 Ų29.90%016%0.162CC..SBendtrans-78.5-29.917200000111.4L803 L836 L839 T849 G852 L855L803-A841 HydrophobicContact CD2-CB 4.01Å; L836-A841 HydrophobicContact CB-CB 4.28Å; L836-A841 HydrophobicContact CD2-CB 4.09Å; L836-A841 WeakPolarHBondContact O-CB 3.5Å; L836-A841 PolarHBondContact O-N 2.99Å; L839-A841 PolarHBondContact O-N 3.5Å; A841-T849 PolarHBondContact O-N 3.28Å; A841-T849 VanDerWaalsContact O-N 3.14Å; A841-T849 PolarHBondContact O-OG1 3.14Å; A841-G852 WeakPolarHBondContact O-CA 3.48Å; A841-L855 HydrophobicContact CB-CD1 3.9Å
842L94.1Very high91.7Very high4 Ų428.6 Ų28.62%0.02116%0.156CC..BIsolated β-bridgetrans-116144.9170.2-60.3177.4000110.4K806 I813 L836 R837 E847 L848K806-L842 HydrophobicContact CB-CD2 4.44Å; K806-L842 HydrophobicContact CD-CD2 4.43Å; K806-L842 HydrophobicContact CG-CD2 4.08Å; I813-L842 HydrophobicContact CD1-CD1 3.86Å; L836-L842 HydrophobicContact CB-CD1 3.79Å; L836-L842 HydrophobicContact CB-CG 3.87Å; L836-L842 HydrophobicContact CD1-CD1 4.06Å; L836-L842 HydrophobicContact CD1-CG 4.42Å; L836-L842 PolarHBondContact O-N 2.96Å; R837-L842 HydrophobicContact CG-CB 3.92Å; L842-E847 CarbonylContact C-O 3.54Å; L842-E847 VanDerWaalsContact CA-O 3.29Å; L842-E847 WeakPolarHBondContact CA-O 3.36Å; L842-L848 HydrophobicContact CD2-CD1 4.09Å
843D91Very high91.8Very high12 Ų1233.6 Ų33.66%0.06417%0.174CC..  trans-85.6-173.5173.466.631.7000112.8S321 N845 D846 E847 T849S321-D843 VanDerWaalsContact CB-OD2 3.23Å; S321-D843 WeakPolarHBondContact CB-OD2 3.46Å; S321-D843 PolarHBondContact N-OD2 3.11Å; S321-D843 PolarHBondContact OG-OD2 3.41Å; D843-N845 PolarHBondContact O-N 3.33Å; D843-N845 WeakPolarHBondContact OD1-CA 3.28Å; D843-N845 WeakPolarHBondContact OD1-CB 3.27Å; D843-N845 PolarHBondContact OD1-N 3.01Å; D843-D846 PolarHBondContact O-N 3.04Å; D843-D846 PolarHBondContact OD1-N 3.03Å; D843-E847 PolarHBondContact N-O 3.19Å; D843-E847 PolarHBondContact OD1-N 3.1Å; D843-T849 HydrophobicContact CB-CG2 4.01Å
844A87.9Confident91.9Very high84 Ų8432.6 Ų32.669%0.69417%0.17SC*.THydrogen-bonded Turntrans-67-13.6-179.400000114.6
845N88.6Confident92.1Very high59 Ų5930.3 Ų30.332%0.31616%0.159SC..THydrogen-bonded Turntrans-99.210.9174.3-66.3-31.9000112S321 D843 E847S321-N845 PolarHBondContact O-ND2 2.92Å; D843-N845 PolarHBondContact O-N 3.33Å; D843-N845 WeakPolarHBondContact OD1-CA 3.28Å; D843-N845 WeakPolarHBondContact OD1-CB 3.27Å; D843-N845 PolarHBondContact OD1-N 3.01Å; N845-E847 HydrophobicContact CB-CG 4.32Å; N845-E847 PolarHBondContact O-N 2.97Å
846D89.8Confident92.1Very high43 Ų4329.4 Ų29.423%0.2316%0.156CC..SBendtrans57.527.8-169-59.5-62.1000113.1K806 R837 D843K806-D846 WeakPolarHBondContact CD-O 3.31Å; K806-D846 WeakPolarHBondContact CE-O 3.48Å; K806-D846 PolarHBondContact NZ-O 2.81Å; R837-D846 VanDerWaalsContact CD-OD1 3.23Å; R837-D846 WeakPolarHBondContact CD-OD1 3.37Å; R837-D846 IonicContact CZ-OD1 3.14Å; R837-D846 IonicContact NE-OD1 3.85Å; R837-D846 PolarHBondContact NE-OD1 3.06Å; D843-D846 PolarHBondContact O-N 3.04Å; D843-D846 PolarHBondContact OD1-N 3.03Å
847E90.9Very high91.8Very high20 Ų2033.1 Ų33.19%0.09317%0.172CC..  trans-97.4154.8177.5-65.8-54.6157.900113.4Q324 K806 L842 D843 N845 T849Q324-E847 PolarHBondContact N-OE1 2.87Å; K806-E847 IonicContact NZ-OE1 3.09Å; K806-E847 PolarHBondContact NZ-OE1 3.21Å; K806-E847 IonicContact NZ-OE2 2.77Å; K806-E847 PolarHBondContact NZ-OE2 3.43Å; L842-E847 CarbonylContact C-O 3.54Å; L842-E847 VanDerWaalsContact CA-O 3.29Å; L842-E847 WeakPolarHBondContact CA-O 3.36Å; D843-E847 PolarHBondContact N-O 3.19Å; D843-E847 PolarHBondContact OD1-N 3.1Å; N845-E847 HydrophobicContact CB-CG 4.32Å; N845-E847 PolarHBondContact O-N 2.97Å; E847-T849 PolarHBondContact O-N 3.38Å
848L92.3Very high91.6Very high6 Ų629.2 Ų29.23%0.03116%0.158CC..BIsolated β-bridgetrans-75.5112.9-169.1-162.268.7000112.3L803 K806 L807 L842 R853L803-L848 HydrophobicContact CD2-CD1 3.67Å; K806-L848 HydrophobicContact CB-CB 4.29Å; K806-L848 HydrophobicContact CB-CD1 4.18Å; L807-L848 HydrophobicContact CB-CD2 4.22Å; L807-L848 HydrophobicContact CD1-CD2 4.27Å; L842-L848 HydrophobicContact CD2-CD1 4.09Å; L848-R853 HydrophobicContact CD2-CB 4.41Å; L848-R853 HydrophobicContact CD2-CG 3.66Å; L848-R853 HydrophobicContact CG-CG 3.98Å
849T94.7Very high91.3Very high1 Ų126.2 Ų26.21%0.00615%0.145CC..  trans-69.1166178.970.60000111.6F318 D840 A841 D843 E847 L851 G852 R853F318-T849 HydrophobicContact CB-CG2 4.03Å; F318-T849 HydrophobicContact CD2-CG2 3.59Å; F318-T849 HydrophobicContact CE2-CG2 4.25Å; F318-T849 HydrophobicContact CG-CG2 3.89Å; D840-T849 WeakPolarHBondContact O-CB 3.34Å; D840-T849 WeakPolarHBondContact O-CG2 3.34Å; D840-T849 PolarHBondContact O-OG1 3.08Å; A841-T849 PolarHBondContact O-N 3.28Å; A841-T849 VanDerWaalsContact O-N 3.14Å; A841-T849 PolarHBondContact O-OG1 3.14Å; D843-T849 HydrophobicContact CB-CG2 4.01Å; E847-T849 PolarHBondContact O-N 3.38Å; T849-L851 VanDerWaalsContact C-N 3.26Å; T849-L851 PolarHBondContact O-N 3.16Å; T849-L851 PolarHBondContact OG1-N 2.93Å; T849-G852 CarbonylContact O-C 3.46Å; T849-G852 WeakPolarHBondContact O-CA 3.37Å; T849-G852 PolarHBondContact O-N 2.85Å; T849-G852 PolarHBondContact OG1-N 2.82Å; T849-R853 PolarHBondContact O-N 3.4Å
850P93.8Very high91.1Very high45 Ų4526.3 Ų26.329%0.29215%0.146SC..Hα-helixtrans-51.4-43.5168.1-28.135.3000113.2F318 R853 I854 T1115 K1116F318-P850 HydrophobicContact CD1-CG 3.97Å; F318-P850 HydrophobicContact CE1-CB 4.09Å; F318-P850 HydrophobicContact CE1-CG 3.96Å; P850-R853 PolarHBondContact O-N 3.34Å; P850-I854 WeakPolarHBondContact O-CG1 3.2Å; P850-I854 PolarHBondContact O-N 3.26Å; P850-T1115 WeakPolarHBondContact CB-O 3.47Å; P850-K1116 HydrophobicContact CG-CG 4.25Å
851L94.8Very high90.8Very high1 Ų129 Ų291%0.00516%0.158CC..Hα-helixtrans-59.3-51.4170.8169.360.1000111F318 L839 D840 T849 R853 I854 L855 K866 I869 V1111 T1115F318-L851 HydrophobicContact CE2-CB 3.97Å; F318-L851 HydrophobicContact CE2-CD2 4.42Å; F318-L851 HydrophobicContact CZ-CB 3.69Å; L839-L851 VanDerWaalsContact O-CD2 3.3Å; L839-L851 WeakPolarHBondContact O-CD2 3.46Å; D840-L851 HydrophobicContact CB-CD2 4.03Å; T849-L851 VanDerWaalsContact C-N 3.26Å; T849-L851 PolarHBondContact O-N 3.16Å; T849-L851 PolarHBondContact OG1-N 2.93Å; L851-R853 VanDerWaalsContact C-N 3.28Å; L851-R853 PolarHBondContact O-N 3.37Å; L851-I854 WeakPolarHBondContact O-CB 3.2Å; L851-I854 PolarHBondContact O-N 3.27Å; L851-L855 HydrophobicContact CD1-CD1 3.86Å; L851-L855 HydrophobicContact CD1-CD2 3.99Å; L851-L855 HydrophobicContact CD1-CG 3.77Å; L851-L855 HydrophobicContact CG-CD1 3.91Å; L851-L855 HydrophobicContact CG-CG 4.19Å; L851-L855 WeakPolarHBondContact O-CG 3.28Å; L851-L855 PolarHBondContact O-N 3.19Å; L851-K866 HydrophobicContact CD1-CG 4.38Å; L851-K866 HydrophobicContact CD2-CD 3.9Å; L851-K866 HydrophobicContact CD2-CG 4.36Å; L851-I869 HydrophobicContact CD1-CD1 3.35Å; L851-V1111 HydrophobicContact CD2-CG1 4.46Å; L851-T1115 HydrophobicContact CB-CG2 4.02Å; L851-T1115 HydrophobicContact CD1-CG2 3.98Å
852G94.3Very high90.6Very high0 Ų029.1 Ų29.10%016%0.159CC..Hα-helixtrans-54.9-38.2178.700000113.9A841 T849 L855 A856A841-G852 WeakPolarHBondContact O-CA 3.48Å; T849-G852 CarbonylContact O-C 3.46Å; T849-G852 WeakPolarHBondContact O-CA 3.37Å; T849-G852 PolarHBondContact O-N 2.85Å; T849-G852 PolarHBondContact OG1-N 2.82Å; G852-L855 PolarHBondContact O-N 3Å; G852-A856 VanDerWaalsContact O-CB 3.28Å; G852-A856 WeakPolarHBondContact O-CB 3.32Å; G852-A856 PolarHBondContact O-N 2.6Å
853R91.9Very high90.5Very high110 Ų11030.6 Ų30.642%0.41516%0.164SC..Hα-helixtrans-63.5-38.6174.5-72.5178.2-156.9-85.3-9.4112.9L848 T849 P850 L851 K857L848-R853 HydrophobicContact CD2-CB 4.41Å; L848-R853 HydrophobicContact CD2-CG 3.66Å; L848-R853 HydrophobicContact CG-CG 3.98Å; T849-R853 PolarHBondContact O-N 3.4Å; P850-R853 PolarHBondContact O-N 3.34Å; L851-R853 VanDerWaalsContact C-N 3.28Å; L851-R853 PolarHBondContact O-N 3.37Å; R853-K857 WeakPolarHBondContact O-CG 3.44Å
854I92.9Very high90.6Very high12 Ų1231.1 Ų31.16%0.06217%0.166CC..Hα-helixtrans-70-46.5176.2-60.2159.2000109.1P850 L851 A856 K857 L858 I869 L964 F969 T1115P850-I854 WeakPolarHBondContact O-CG1 3.2Å; P850-I854 PolarHBondContact O-N 3.26Å; L851-I854 WeakPolarHBondContact O-CB 3.2Å; L851-I854 PolarHBondContact O-N 3.27Å; I854-A856 PolarHBondContact O-N 3.41Å; I854-K857 PolarHBondContact O-N 2.98Å; I854-L858 HydrophobicContact CG2-CD1 4.25Å; I854-L858 WeakPolarHBondContact O-CG 3.08Å; I854-L858 PolarHBondContact O-N 3.16Å; I854-I869 HydrophobicContact CB-CD1 4.36Å; I854-I869 HydrophobicContact CG2-CD1 3.95Å; I854-I869 HydrophobicContact CG2-CG1 4.47Å; I854-L964 HydrophobicContact CG2-CD2 4.35Å; I854-F969 HydrophobicContact CD1-CE2 4.1Å; I854-F969 HydrophobicContact CD1-CZ 4.48Å; I854-T1115 HydrophobicContact CD1-CG2 4.01Å
855L93.9Very high90.9Very high3 Ų327.2 Ų27.22%0.01613%0.133CC..Hα-helixtrans-60-43.5178.7-61.3-177000112.4L803 A841 L851 G852 K857 L858 P862 K866 I869L803-L855 HydrophobicContact CD1-CB 4.16Å; A841-L855 HydrophobicContact CB-CD1 3.9Å; L851-L855 HydrophobicContact CD1-CD1 3.86Å; L851-L855 HydrophobicContact CD1-CD2 3.99Å; L851-L855 HydrophobicContact CD1-CG 3.77Å; L851-L855 HydrophobicContact CG-CD1 3.91Å; L851-L855 HydrophobicContact CG-CG 4.19Å; L851-L855 WeakPolarHBondContact O-CG 3.28Å; L851-L855 PolarHBondContact O-N 3.19Å; G852-L855 PolarHBondContact O-N 3Å; L855-K857 PolarHBondContact O-N 2.74Å; L855-L858 HydrophobicContact CD2-CD1 4.49Å; L855-L858 PolarHBondContact O-N 3Å; L855-L858 VanDerWaalsContact O-N 3.11Å; L855-P862 HydrophobicContact CD1-CB 4.21Å; L855-P862 WeakPolarHBondContact CD2-O 3.21Å; L855-K866 HydrophobicContact CD2-CB 4.41Å; L855-K866 VanDerWaalsContact CD2-N 3.3Å; L855-I869 HydrophobicContact CD2-CD1 4.21Å
856A90.3Very high91.2Very high21 Ų2124.7 Ų24.717%0.17412%0.12CC..Hα-helixtrans-65.2-19.4179.500000114L803 L807 G852 I854L803-A856 HydrophobicContact CB-CB 3.94Å; L807-A856 HydrophobicContact CB-CB 3.98Å; L807-A856 HydrophobicContact CD1-CB 4.35Å; L807-A856 HydrophobicContact CD2-CB 3.94Å; L807-A856 HydrophobicContact CG-CB 4.31Å; G852-A856 VanDerWaalsContact O-CB 3.28Å; G852-A856 WeakPolarHBondContact O-CB 3.32Å; G852-A856 PolarHBondContact O-N 2.6Å; I854-A856 PolarHBondContact O-N 3.41Å
857K87.3Confident91.5Very high78 Ų7822.7 Ų22.734%0.33911%0.109SC..Hα-helixtrans-89.7-22.1175.1-69.3178.2-177.6-127.20113E499 L807 R853 I854 L855 I963E499-K857 VanDerWaalsContact CD-NZ 3.26Å; E499-K857 WeakPolarHBondContact OE1-CE 3.33Å; E499-K857 IonicContact OE1-NZ 2.76Å; E499-K857 PolarHBondContact OE1-NZ 2.88Å; E499-K857 WeakPolarHBondContact OE2-CE 3.48Å; E499-K857 IonicContact OE2-NZ 3.63Å; E499-K857 PolarHBondContact OE2-NZ 3.43Å; E499-K857 VanDerWaalsContact OE2-NZ 3.09Å; L807-K857 HydrophobicContact CD2-CG 4.41Å; R853-K857 WeakPolarHBondContact O-CG 3.44Å; I854-K857 PolarHBondContact O-N 2.98Å; L855-K857 PolarHBondContact O-N 2.74Å; K857-I963 HydrophobicContact CB-CG2 4.12Å
858L87.8Confident91.8Very high8 Ų821.8 Ų21.84%0.04211%0.105CC..SBendtrans-79127.9178.4-70170.6000109.7I854 L855 I860 M868 L960 I963I854-L858 HydrophobicContact CG2-CD1 4.25Å; I854-L858 WeakPolarHBondContact O-CG 3.08Å; I854-L858 PolarHBondContact O-N 3.16Å; L855-L858 HydrophobicContact CD2-CD1 4.49Å; L855-L858 PolarHBondContact O-N 3Å; L855-L858 VanDerWaalsContact O-N 3.11Å; L858-I860 HydrophobicContact CB-CD1 4.47Å; L858-I860 HydrophobicContact CB-CG1 3.97Å; L858-I860 PolarHBondContact O-N 3.37Å; L858-M868 HydrophobicContact CD1-CE 4.41Å; L858-M868 HydrophobicContact CD2-CE 3.84Å; L858-L960 HydrophobicContact CD2-CD2 3.86Å; L858-I963 HydrophobicContact CD2-CB 4.06Å; L858-I963 HydrophobicContact CD2-CG2 3.65Å; L858-I963 HydrophobicContact CG-CG2 4.2Å
859P83.1Confident92Very high17 Ų1721.5 Ų21.511%0.1110%0.103CC..SBendtrans-85.346.6-172.837.3-40.8000113.1R474 L960 I963R474-P859 PolarHBondContact NH1-O 2.67Å; R474-P859 PolarHBondContact NH2-O 2.88Å; P859-L960 HydrophobicContact CG-CD2 4.22Å; P859-I963 HydrophobicContact CG-CD1 4.48Å
860I86.5Confident92.1Very high12 Ų1221.7 Ų21.76%0.06210%0.104CC..SBendtrans-148.4166.7-171.657.9174.3000110.3L858 F864 M868 A884 C888 L960L858-I860 HydrophobicContact CB-CD1 4.47Å; L858-I860 HydrophobicContact CB-CG1 3.97Å; L858-I860 PolarHBondContact O-N 3.37Å; I860-F864 HydrophobicContact CD1-CB 3.9Å; I860-M868 HydrophobicContact CD1-SD 3.34Å; I860-M868 WeakPolarHBondContact CD1-SD 3.03Å; I860-A884 HydrophobicContact CD1-CB 4.21Å; I860-C888 VanDerWaalsContact CG2-SG 3.58Å; I860-L960 HydrophobicContact CD1-CD2 4.2Å; I860-L960 HydrophobicContact CG2-CD2 4.27Å
861E85.6Confident92.2Very high72 Ų7219.5 Ų19.534%0.3369%0.09SC..  trans-52.9134.9175.5-168-173.715000111.4R863 F864 G865E861-R863 PolarHBondContact O-N 3.05Å; E861-F864 HydrophobicContact CB-CD2 3.84Å; E861-F864 HydrophobicContact CB-CE2 4.47Å; E861-F864 PolarHBondContact O-N 3.43Å; E861-G865 PolarHBondContact O-N 3.35Å; E861-G865 VanDerWaalsContact O-N 3.14Å
862P91.1Very high92.3Very high4 Ų419.5 Ų19.53%0.0269%0.09CC..Hα-helixtrans-56.4-29.4-174.9-29.237.4000114.6L803 L836 L839 L855 G865 K866L803-P862 HydrophobicContact CD1-CB 4.05Å; L803-P862 HydrophobicContact CD1-CG 3.5Å; L836-P862 HydrophobicContact CD2-CB 4.25Å; L836-P862 HydrophobicContact CD2-CG 4.07Å; L839-P862 HydrophobicContact CD1-CB 3.91Å; L855-P862 HydrophobicContact CD1-CB 4.21Å; L855-P862 WeakPolarHBondContact CD2-O 3.21Å; P862-G865 PolarHBondContact O-N 3.43Å; P862-K866 PolarHBondContact O-N 2.88Å
863R91.6Very high92.5Very high35 Ų3519.5 Ų19.513%0.1329%0.09CC..Hα-helixtrans-66.4-42.4176.1-166.8178.3-63.9-84.80.4112.1L839 E861 G865 K866 M867 F997 G998 Y1000L839-R863 HydrophobicContact CD2-CG 4.42Å; E861-R863 PolarHBondContact O-N 3.05Å; R863-G865 VanDerWaalsContact C-N 3.32Å; R863-G865 PolarHBondContact O-N 2.89Å; R863-K866 PolarHBondContact O-N 3.25Å; R863-M867 PolarHBondContact O-N 3.1Å; R863-F997 WeakPolarHBondContact CD-O 3.16Å; R863-F997 HydrophobicContact CG-CE1 4.19Å; R863-F997 HydrophobicContact CG-CZ 4.4Å; R863-G998 WeakPolarHBondContact CD-O 3.36Å; R863-G998 WeakPolarHBondContact CG-O 3.08Å; R863-Y1000 VanDerWaalsContact CD-O 3.22Å; R863-Y1000 WeakPolarHBondContact CD-O 3.42Å; R863-Y1000 PolarHBondContact NE-O 3.39Å; R863-Y1000 PolarHBondContact NH1-O 3.1Å
864F92.9Very high92.7Very high23 Ų2314.3 Ų14.310%0.1017%0.07CC..Hα-helixtrans-67.3-32.1172.2-68.4-50.6000112.1I860 E861 M867 M868 G998 V999I860-F864 HydrophobicContact CD1-CB 3.9Å; E861-F864 HydrophobicContact CB-CD2 3.84Å; E861-F864 HydrophobicContact CB-CE2 4.47Å; E861-F864 PolarHBondContact O-N 3.43Å; F864-M867 HydrophobicContact CB-CE 4.43Å; F864-M867 HydrophobicContact CD1-CE 3.49Å; F864-M867 VanDerWaalsContact CD1-CE 3.49Å; F864-M867 HydrophobicContact CD1-SD 4.09Å; F864-M867 HydrophobicContact CE1-CE 4.19Å; F864-M867 HydrophobicContact CG-CE 4.37Å; F864-M867 WeakPolarHBondContact O-CB 3.45Å; F864-M867 PolarHBondContact O-N 3.21Å; F864-M868 WeakPolarHBondContact O-CG 3.31Å; F864-M868 PolarHBondContact O-N 3.18Å; F864-G998 WeakPolarHBondContact CE1-O 3.37Å; F864-V999 HydrophobicContact CE1-CG1 3.84Å; F864-V999 HydrophobicContact CZ-CG1 4.01Å
865G94.1Very high92.9Very high1 Ų117.2 Ų17.21%0.018%0.081CC..Hα-helixtrans-63.6-42.8171.600000113.2E861 P862 R863 M867 M868 I869E861-G865 PolarHBondContact O-N 3.35Å; E861-G865 VanDerWaalsContact O-N 3.14Å; P862-G865 PolarHBondContact O-N 3.43Å; R863-G865 VanDerWaalsContact C-N 3.32Å; R863-G865 PolarHBondContact O-N 2.89Å; G865-M867 VanDerWaalsContact C-N 3.34Å; G865-M868 WeakPolarHBondContact O-CB 2.97Å; G865-M868 PolarHBondContact O-N 3.29Å; G865-I869 WeakPolarHBondContact O-CG1 3.46Å; G865-I869 PolarHBondContact O-N 3.01Å; G865-I869 VanDerWaalsContact O-N 3.16Å
866K95.6Very high93.1Very high7 Ų717.2 Ų17.23%0.038%0.081CC..Hα-helixtrans-67.8-35.3175.2-167170.4-172.3173.60111.2L839 D840 L851 L855 P862 R863 I869 M870 F997L839-K866 HydrophobicContact CD2-CD 4.5Å; L839-K866 WeakPolarHBondContact O-CD 3.39Å; L839-K866 PolarHBondContact O-NZ 3.27Å; D840-K866 IonicContact OD2-NZ 2.78Å; D840-K866 PolarHBondContact OD2-NZ 2.99Å; L851-K866 HydrophobicContact CD1-CG 4.38Å; L851-K866 HydrophobicContact CD2-CD 3.9Å; L851-K866 HydrophobicContact CD2-CG 4.36Å; L855-K866 HydrophobicContact CD2-CB 4.41Å; L855-K866 VanDerWaalsContact CD2-N 3.3Å; P862-K866 PolarHBondContact O-N 2.88Å; R863-K866 PolarHBondContact O-N 3.25Å; K866-I869 PolarHBondContact O-N 3.44Å; K866-M870 WeakPolarHBondContact O-CG 3.21Å; K866-M870 PolarHBondContact O-N 3.27Å; K866-M870 VanDerWaalsContact O-N 3.08Å; K866-F997 HydrophobicContact CB-CE1 3.94Å; K866-F997 HydrophobicContact CB-CZ 4.13Å; K866-F997 HydrophobicContact CD-CE1 4.49Å; K866-F997 HydrophobicContact CD-CZ 3.89Å; K866-F997 HydrophobicContact CG-CE1 4.14Å; K866-F997 HydrophobicContact CG-CZ 4.03Å
867M96.3Very high93.3Very high1 Ų116.2 Ų16.21%0.0057%0.073CC..Hα-helixtrans-59.2-42.7170-178.3-176.576.200112.3R863 F864 G865 M870 G871 I880 A884 L994 L995 F997R863-M867 PolarHBondContact O-N 3.1Å; F864-M867 HydrophobicContact CB-CE 4.43Å; F864-M867 HydrophobicContact CD1-CE 3.49Å; F864-M867 VanDerWaalsContact CD1-CE 3.49Å; F864-M867 HydrophobicContact CD1-SD 4.09Å; F864-M867 HydrophobicContact CE1-CE 4.19Å; F864-M867 HydrophobicContact CG-CE 4.37Å; F864-M867 WeakPolarHBondContact O-CB 3.45Å; F864-M867 PolarHBondContact O-N 3.21Å; G865-M867 VanDerWaalsContact C-N 3.34Å; M867-M870 PolarHBondContact O-N 3.2Å; M867-G871 PolarHBondContact O-N 3.45Å; M867-I880 HydrophobicContact CE-CG2 3.67Å; M867-I880 HydrophobicContact CG-CD1 4.49Å; M867-I880 HydrophobicContact CG-CG2 3.8Å; M867-I880 HydrophobicContact SD-CG2 4.34Å; M867-A884 HydrophobicContact CE-CB 4.47Å; M867-L994 HydrophobicContact CG-CB 4.12Å; M867-L994 WeakPolarHBondContact CG-O 3.4Å; M867-L995 HydrophobicContact SD-CD1 4.38Å; M867-F997 HydrophobicContact CB-CD1 4.17Å; M867-F997 HydrophobicContact CB-CE1 4.49Å
868M96.3Very high93.7Very high1 Ų112.7 Ų12.71%0.0056%0.058CC..Hα-helixtrans-62.4-42.3176.2-77.2171.952.800112.7L858 I860 F864 G865 G871 C872 I880 A884 L960 L964L858-M868 HydrophobicContact CD1-CE 4.41Å; L858-M868 HydrophobicContact CD2-CE 3.84Å; I860-M868 HydrophobicContact CD1-SD 3.34Å; I860-M868 WeakPolarHBondContact CD1-SD 3.03Å; F864-M868 WeakPolarHBondContact O-CG 3.31Å; F864-M868 PolarHBondContact O-N 3.18Å; G865-M868 WeakPolarHBondContact O-CB 2.97Å; G865-M868 PolarHBondContact O-N 3.29Å; M868-G871 CarbonylContact O-C 3.56Å; M868-G871 WeakPolarHBondContact O-CA 3.2Å; M868-G871 PolarHBondContact O-N 3.09Å; M868-C872 PolarHBondContact O-N 2.96Å; M868-C872 PolarHBondContact O-SG 3.45Å; M868-I880 HydrophobicContact CB-CG2 4.28Å; M868-I880 HydrophobicContact CG-CG2 3.73Å; M868-A884 HydrophobicContact CG-CB 4.43Å; M868-A884 HydrophobicContact SD-CB 4.01Å; M868-L960 HydrophobicContact CE-CB 3.83Å; M868-L960 HydrophobicContact CE-CD1 4.47Å; M868-L960 HydrophobicContact CE-CD2 3.92Å; M868-L960 HydrophobicContact CE-CG 4.28Å; M868-L960 HydrophobicContact SD-CD1 4.28Å; M868-L960 HydrophobicContact SD-CD2 4.14Å; M868-L964 HydrophobicContact CB-CD1 4.43Å; M868-L964 HydrophobicContact CE-CD1 3.52Å; M868-L964 HydrophobicContact CE-CG 4.03Å
869I96.7Very high94.1Very high0 Ų012.4 Ų12.40%06%0.057CC..Hα-helixtrans-62.6-43.7176.8-67.6164.7000110.8L851 I854 L855 G865 K866 G871 C872 I873 L964 F969 V1111 T1115L851-I869 HydrophobicContact CD1-CD1 3.35Å; I854-I869 HydrophobicContact CB-CD1 4.36Å; I854-I869 HydrophobicContact CG2-CD1 3.95Å; I854-I869 HydrophobicContact CG2-CG1 4.47Å; L855-I869 HydrophobicContact CD2-CD1 4.21Å; G865-I869 WeakPolarHBondContact O-CG1 3.46Å; G865-I869 PolarHBondContact O-N 3.01Å; G865-I869 VanDerWaalsContact O-N 3.16Å; K866-I869 PolarHBondContact O-N 3.44Å; I869-G871 VanDerWaalsContact C-N 3.28Å; I869-G871 PolarHBondContact O-N 2.96Å; I869-C872 WeakPolarHBondContact O-CB 3.39Å; I869-C872 PolarHBondContact O-N 3.39Å; I869-I873 WeakPolarHBondContact O-CG1 3.28Å; I869-I873 PolarHBondContact O-N 3.36Å; I869-I873 VanDerWaalsContact O-N 3.16Å; I869-L964 HydrophobicContact CG1-CD2 4.49Å; I869-F969 HydrophobicContact CB-CZ 4.35Å; I869-F969 HydrophobicContact CG1-CZ 3.89Å; I869-F969 HydrophobicContact CG2-CE1 4.14Å; I869-F969 HydrophobicContact CG2-CZ 3.93Å; I869-V1111 HydrophobicContact CG2-CG1 4.3Å; I869-T1115 HydrophobicContact CD1-CG2 4.05Å; I869-T1115 HydrophobicContact CG2-CG2 3.88Å
870M97.2Very high94.7Very high4 Ų411.6 Ų11.62%0.025%0.051CC..Hα-helixtrans-61.6-37.7171-66.4179.616600111.8K866 M867 C872 I873 F874 L994 F997 F1070 M1107 V1111K866-M870 WeakPolarHBondContact O-CG 3.21Å; K866-M870 PolarHBondContact O-N 3.27Å; K866-M870 VanDerWaalsContact O-N 3.08Å; M867-M870 PolarHBondContact O-N 3.2Å; M870-C872 VanDerWaalsContact C-N 3.32Å; M870-C872 PolarHBondContact O-N 3.19Å; M870-I873 PolarHBondContact O-N 3.07Å; M870-F874 WeakPolarHBondContact O-CD2 3.15Å; M870-F874 PolarHBondContact O-N 3.22Å; M870-L994 HydrophobicContact CB-CD1 4.21Å; M870-L994 HydrophobicContact CB-CD2 3.63Å; M870-L994 HydrophobicContact CG-CD2 4.42Å; M870-L994 HydrophobicContact SD-CD2 4.02Å; M870-F997 HydrophobicContact SD-CD1 4.23Å; M870-F997 HydrophobicContact SD-CG 4.4Å; M870-F1070 HydrophobicContact CE-CE1 4.5Å; M870-F1070 HydrophobicContact SD-CE1 4.14Å; M870-M1107 HydrophobicContact CB-CE 4Å; M870-M1107 HydrophobicContact CE-CG 4.46Å; M870-M1107 HydrophobicContact CG-CE 3.79Å; M870-V1111 HydrophobicContact CE-CG2 3.99Å; M870-V1111 HydrophobicContact CG-CG2 3.83Å
871G97.1Very high95.1Very high0 Ų011 Ų110%05%0.049CC..Hα-helixtrans-57.3-41.5173.400000113.2M867 M868 I869 F874 Y875 V876 G877M867-G871 PolarHBondContact O-N 3.45Å; M868-G871 CarbonylContact O-C 3.56Å; M868-G871 WeakPolarHBondContact O-CA 3.2Å; M868-G871 PolarHBondContact O-N 3.09Å; I869-G871 VanDerWaalsContact C-N 3.28Å; I869-G871 PolarHBondContact O-N 2.96Å; G871-F874 CarbonylContact O-C 3.17Å; G871-F874 PolarHBondContact O-N 3.3Å; G871-Y875 PolarHBondContact O-N 3.12Å; G871-Y875 VanDerWaalsContact O-N 3.13Å; G871-V876 CarbonylContact O-C 3.57Å; G871-V876 PolarHBondContact O-N 3.18Å; G871-G877 PolarHBondContact O-N 3.24Å; G871-G877 VanDerWaalsContact O-N 3.1Å
872C97.2Very high95.5Very high0 Ų07.7 Ų7.70%03%0.033CC..Hα-helixtrans-61.8-48.4172.5-64.10000111.9M868 I869 M870 F874 Y875 F969 C973 I1121M868-C872 PolarHBondContact O-N 2.96Å; M868-C872 PolarHBondContact O-SG 3.45Å; I869-C872 WeakPolarHBondContact O-CB 3.39Å; I869-C872 PolarHBondContact O-N 3.39Å; M870-C872 VanDerWaalsContact C-N 3.32Å; M870-C872 PolarHBondContact O-N 3.19Å; C872-F874 PolarHBondContact O-N 3.23Å; C872-Y875 PolarHBondContact O-N 3.13Å; C872-F969 HydrophobicContact CB-CD1 3.55Å; C872-F969 HydrophobicContact CB-CE1 3.85Å; C872-C973 HydrophobicContact CB-CB 4.36Å; C872-C973 VanDerWaalsContact CB-SG 3.52Å; C872-C973 VanDerWaalsContact O-CB 3.27Å; C872-C973 WeakPolarHBondContact O-CB 3.47Å; C872-I1121 HydrophobicContact CB-CD1 3.97Å
873I97.4Very high95.7Very high1 Ų17.8 Ų7.81%0.0053%0.033CC..Hα-helixtrans-57.4-39.4178-62.9168.5000111I869 M870 Y875 M1107 L1110 V1111 V1114 I1121 L1132I869-I873 WeakPolarHBondContact O-CG1 3.28Å; I869-I873 PolarHBondContact O-N 3.36Å; I869-I873 VanDerWaalsContact O-N 3.16Å; M870-I873 PolarHBondContact O-N 3.07Å; I873-Y875 VanDerWaalsContact C-N 3.32Å; I873-Y875 PolarHBondContact O-N 2.91Å; I873-M1107 HydrophobicContact CB-CE 4.14Å; I873-M1107 HydrophobicContact CD1-CE 3.83Å; I873-M1107 HydrophobicContact CG2-CE 3.95Å; I873-L1110 HydrophobicContact CD1-CG 4.44Å; I873-L1110 HydrophobicContact CG2-CD2 3.73Å; I873-L1110 HydrophobicContact CG2-CG 4.38Å; I873-V1111 HydrophobicContact CD1-CG2 3.75Å; I873-V1114 HydrophobicContact CD1-CB 4.07Å; I873-V1114 HydrophobicContact CD1-CG1 4.08Å; I873-V1114 HydrophobicContact CD1-CG2 3.93Å; I873-V1114 HydrophobicContact CG1-CB 4.32Å; I873-V1114 HydrophobicContact CG1-CG1 3.95Å; I873-V1114 HydrophobicContact CG1-CG2 3.96Å; I873-I1121 HydrophobicContact CG1-CD1 4.22Å; I873-I1121 HydrophobicContact CG1-CG1 4.34Å; I873-L1132 HydrophobicContact CG2-CD1 3.77Å; I873-L1132 HydrophobicContact CG2-CD2 3.73Å; I873-L1132 HydrophobicContact CG2-CG 4.41Å
874F96.9Very high95.7Very high0 Ų06.1 Ų6.10%03%0.027CC..THydrogen-bonded Turntrans-845.7176.8-78.2-72.3000115M870 G871 C872 V876 V990 L994 F1070 M1107 L1132 I1135 R1136M870-F874 WeakPolarHBondContact O-CD2 3.15Å; M870-F874 PolarHBondContact O-N 3.22Å; G871-F874 CarbonylContact O-C 3.17Å; G871-F874 PolarHBondContact O-N 3.3Å; C872-F874 PolarHBondContact O-N 3.23Å; F874-V876 HydrophobicContact CB-CG2 3.93Å; F874-V876 PolarHBondContact O-N 2.94Å; F874-V990 HydrophobicContact CB-CG1 3.86Å; F874-V990 HydrophobicContact CD1-CG1 3.88Å; F874-V990 HydrophobicContact CD2-CG1 4.1Å; F874-V990 HydrophobicContact CE1-CG1 4.48Å; F874-V990 HydrophobicContact CG-CG1 3.68Å; F874-L994 HydrophobicContact CD2-CD1 4.07Å; F874-L994 HydrophobicContact CD2-CD2 4.09Å; F874-L994 HydrophobicContact CD2-CG 4.47Å; F874-L994 HydrophobicContact CE2-CD2 4.16Å; F874-F1070 HydrophobicContact CE2-CZ 4.45Å; F874-M1107 HydrophobicContact CD2-CE 4.09Å; F874-M1107 HydrophobicContact CE2-CE 3.54Å; F874-M1107 HydrophobicContact CE2-SD 3.71Å; F874-M1107 HydrophobicContact CZ-CE 4.36Å; F874-M1107 HydrophobicContact CZ-SD 3.96Å; F874-L1132 HydrophobicContact CD1-CD2 4.11Å; F874-L1132 HydrophobicContact CE1-CB 4.02Å; F874-L1132 HydrophobicContact CE1-CD2 3.5Å; F874-L1132 VanDerWaalsContact CE1-CD2 3.5Å; F874-L1132 HydrophobicContact CE1-CG 4.34Å; F874-L1132 HydrophobicContact CE2-CD2 4.04Å; F874-L1132 HydrophobicContact CZ-CD2 3.43Å; F874-L1132 VanDerWaalsContact CZ-CD2 3.43Å; F874-I1135 HydrophobicContact CE1-CB 4.06Å; F874-I1135 HydrophobicContact CE1-CG2 3.82Å; F874-I1135 HydrophobicContact CE2-CG2 4.36Å; F874-I1135 HydrophobicContact CZ-CB 3.88Å; F874-I1135 HydrophobicContact CZ-CD1 4.04Å; F874-I1135 HydrophobicContact CZ-CG2 3.42Å; F874-I1135 VanDerWaalsContact CZ-CG2 3.42Å; F874-R1136 HydrophobicContact CD1-CG 4.45Å; F874-R1136 HydrophobicContact CE1-CG 4.46Å; F874-R1136 PolarHBondContact O-NH1 3.49Å; F874-R1136 PolarHBondContact O-NH2 3.43Å
875Y96.4Very high95.6Very high73 Ų735 Ų529%0.2862%0.022SC..THydrogen-bonded Turntrans51.238.1-175.1-73.8-104.8000113G871 C872 I873 D972 C973 Q977 I1121G871-Y875 PolarHBondContact O-N 3.12Å; G871-Y875 VanDerWaalsContact O-N 3.13Å; C872-Y875 PolarHBondContact O-N 3.13Å; I873-Y875 VanDerWaalsContact C-N 3.32Å; I873-Y875 PolarHBondContact O-N 2.91Å; Y875-D972 HydrophobicContact CE1-CB 4.1Å; Y875-C973 HydrophobicContact CD1-CB 3.86Å; Y875-C973 HydrophobicContact CE1-CB 4.03Å; Y875-C973 HydrophobicContact CG-CB 4.15Å; Y875-Q977 PolarHBondContact O-NE2 3.4Å; Y875-I1121 HydrophobicContact CD2-CG2 4.22Å; Y875-I1121 HydrophobicContact CE2-CG2 3.46Å; Y875-I1121 VanDerWaalsContact CE2-CG2 3.46Å; Y875-I1121 PolarHBondContact OH-O 2.88Å; Y875-I1121 VanDerWaalsContact OH-O 3.13Å
876V96.9Very high95.3Very high3 Ų35.7 Ų5.72%0.0183%0.028CC..  trans-124.518.8173-63.70000111.4G871 F874 D878 A879 I880 N987 V990 V991 L994G871-V876 CarbonylContact O-C 3.57Å; G871-V876 PolarHBondContact O-N 3.18Å; F874-V876 HydrophobicContact CB-CG2 3.93Å; F874-V876 PolarHBondContact O-N 2.94Å; V876-D878 VanDerWaalsContact C-N 3.28Å; V876-D878 PolarHBondContact O-N 2.75Å; V876-A879 WeakPolarHBondContact O-CB 3.48Å; V876-A879 PolarHBondContact O-N 3.12Å; V876-A879 VanDerWaalsContact O-N 3.09Å; V876-I880 HydrophobicContact CG2-CG1 4.17Å; V876-I880 PolarHBondContact O-N 2.75Å; V876-N987 HydrophobicContact CG1-CB 3.85Å; V876-V990 HydrophobicContact CG2-CG1 4.38Å; V876-V991 HydrophobicContact CB-CG2 3.82Å; V876-V991 HydrophobicContact CG1-CG2 4.27Å; V876-V991 HydrophobicContact CG2-CG2 3.91Å; V876-L994 HydrophobicContact CG2-CD1 4.08Å
877G95.8Very high94.7Very high0 Ų08 Ų80%04%0.043CC..Hα-helixtrans-58.2-35.9-170.500000113.4G871 A879 I880 C881 C973G871-G877 PolarHBondContact O-N 3.24Å; G871-G877 VanDerWaalsContact O-N 3.1Å; G877-A879 PolarHBondContact O-N 2.88Å; G877-I880 PolarHBondContact O-N 2.83Å; G877-C881 WeakPolarHBondContact O-CB 3.25Å; G877-C881 PolarHBondContact O-N 2.8Å; G877-C881 PolarHBondContact O-SG 2.93Å; G877-C973 PolarHBondContact N-O 2.57Å
878D95Very high93.8Very high5 Ų510.4 Ų10.43%0.0276%0.059CC..Hα-helixtrans-61.8-39.9177.2-173.377000113.4V876 T882 K957 K961 L975V876-D878 VanDerWaalsContact C-N 3.28Å; V876-D878 PolarHBondContact O-N 2.75Å; D878-T882 PolarHBondContact O-N 3.05Å; D878-T882 PolarHBondContact O-OG1 3.12Å; D878-K957 VanDerWaalsContact CG-NZ 3.3Å; D878-K957 WeakPolarHBondContact OD1-CE 3.42Å; D878-K957 IonicContact OD1-NZ 3.63Å; D878-K957 PolarHBondContact OD1-NZ 3.02Å; D878-K957 VanDerWaalsContact OD2-CE 3.29Å; D878-K957 WeakPolarHBondContact OD2-CE 3.28Å; D878-K957 IonicContact OD2-NZ 3.04Å; D878-K957 PolarHBondContact OD2-NZ 2.69Å; D878-K961 WeakPolarHBondContact OD1-CD 3.4Å; D878-K961 WeakPolarHBondContact OD1-CE 3.41Å; D878-K961 IonicContact OD1-NZ 3.64Å; D878-K961 PolarHBondContact OD1-NZ 3.06Å; D878-L975 WeakPolarHBondContact CB-O 3.48Å
879A95.8Very high92.9Very high2 Ų212.2 Ų12.22%0.0177%0.067CC..Hα-helixtrans-65.8-44.817700000110.9V876 G877 T882 I883 L919 F979 V991V876-A879 WeakPolarHBondContact O-CB 3.48Å; V876-A879 PolarHBondContact O-N 3.12Å; V876-A879 VanDerWaalsContact O-N 3.09Å; G877-A879 PolarHBondContact O-N 2.88Å; A879-T882 WeakPolarHBondContact O-CB 3.3Å; A879-T882 PolarHBondContact O-N 2.75Å; A879-I883 WeakPolarHBondContact O-CG1 3.2Å; A879-I883 PolarHBondContact O-N 2.89Å; A879-L919 HydrophobicContact CB-CD1 4.43Å; A879-L919 HydrophobicContact CB-CD2 4.28Å; A879-F979 HydrophobicContact CB-CD2 4.39Å; A879-F979 HydrophobicContact CB-CE2 3.4Å; A879-F979 VanDerWaalsContact CB-CE2 3.4Å; A879-F979 HydrophobicContact CB-CZ 3.66Å; A879-V991 HydrophobicContact CB-CG2 3.79Å
880I96.5Very high92Very high0 Ų014 Ų140%08%0.078CC..Hα-helixtrans-67.5-39.9179.4-58.6-64.7000110.8M867 M868 V876 G877 T882 I883 A884 V991 L994M867-I880 HydrophobicContact CE-CG2 3.67Å; M867-I880 HydrophobicContact CG-CD1 4.49Å; M867-I880 HydrophobicContact CG-CG2 3.8Å; M867-I880 HydrophobicContact SD-CG2 4.34Å; M868-I880 HydrophobicContact CB-CG2 4.28Å; M868-I880 HydrophobicContact CG-CG2 3.73Å; V876-I880 HydrophobicContact CG2-CG1 4.17Å; V876-I880 PolarHBondContact O-N 2.75Å; G877-I880 PolarHBondContact O-N 2.83Å; I880-T882 VanDerWaalsContact C-N 3.32Å; I880-T882 PolarHBondContact O-N 2.75Å; I880-I883 PolarHBondContact O-N 2.92Å; I880-A884 WeakPolarHBondContact O-CB 3.48Å; I880-A884 PolarHBondContact O-N 2.85Å; I880-V991 HydrophobicContact CD1-CB 4.26Å; I880-V991 HydrophobicContact CD1-CG1 3.96Å; I880-V991 HydrophobicContact CD1-CG2 4.09Å; I880-L994 HydrophobicContact CD1-CB 4.08Å; I880-L994 HydrophobicContact CD1-CD1 4.2Å; I880-L994 HydrophobicContact CG1-CD1 4.35Å
881C95.4Very high91.3Very high0 Ų016.6 Ų16.60%09%0.09CC..Hα-helixtrans-60-40.8170.3-67.70000111.6G877 A885 K957 K961G877-C881 WeakPolarHBondContact O-CB 3.25Å; G877-C881 PolarHBondContact O-N 2.8Å; G877-C881 PolarHBondContact O-SG 2.93Å; C881-A885 WeakPolarHBondContact O-CB 3.46Å; C881-A885 PolarHBondContact O-N 3.29Å; C881-K957 HydrophobicContact CB-CG 4.17Å; C881-K961 HydrophobicContact CB-CG 4.23Å
882T94.5Very high90.7Very high2 Ų217 Ų171%0.0129%0.093CC..Hα-helixtrans-64.2-44.7177.7-520000111.3D878 A879 I880 A886 L919 F922 K957D878-T882 PolarHBondContact O-N 3.05Å; D878-T882 PolarHBondContact O-OG1 3.12Å; A879-T882 WeakPolarHBondContact O-CB 3.3Å; A879-T882 PolarHBondContact O-N 2.75Å; I880-T882 VanDerWaalsContact C-N 3.32Å; I880-T882 PolarHBondContact O-N 2.75Å; T882-A886 WeakPolarHBondContact O-CB 3.22Å; T882-A886 PolarHBondContact O-N 2.93Å; T882-L919 HydrophobicContact CG2-CD1 3.93Å; T882-F922 HydrophobicContact CG2-CB 3.88Å; T882-F922 HydrophobicContact CG2-CD1 3.53Å; T882-F922 HydrophobicContact CG2-CD2 4.12Å; T882-F922 HydrophobicContact CG2-CE1 4.07Å; T882-F922 HydrophobicContact CG2-CG 3.55Å; T882-K957 HydrophobicContact CG2-CD 4.49Å; T882-K957 VanDerWaalsContact OG1-CD 3.28Å; T882-K957 WeakPolarHBondContact OG1-CD 3.34Å; T882-K957 WeakPolarHBondContact OG1-CE 3.33Å; T882-K957 PolarHBondContact OG1-NZ 3.48Å
883I94.2Very high90.3Very high5 Ų518.1 Ų18.13%0.02610%0.098CC..Hα-helixtrans-66.7-46.7178.4-67.7168.2000110.9A879 I880 A885 A886 T887 H915 L919 V991 L995A879-I883 WeakPolarHBondContact O-CG1 3.2Å; A879-I883 PolarHBondContact O-N 2.89Å; I880-I883 PolarHBondContact O-N 2.92Å; I883-A885 VanDerWaalsContact C-N 3.33Å; I883-A885 PolarHBondContact O-N 2.83Å; I883-A886 PolarHBondContact O-N 2.72Å; I883-T887 PolarHBondContact O-N 2.99Å; I883-T887 PolarHBondContact O-OG1 2.91Å; I883-H915 HydrophobicContact CG2-CB 4.43Å; I883-L919 HydrophobicContact CD1-CD2 4.42Å; I883-V991 HydrophobicContact CD1-CG1 3.52Å; I883-L995 HydrophobicContact CG2-CD1 4.19Å
884A92.2Very high89.5Confident0 Ų022.2 Ų22.20%012%0.119CC..Hα-helixtrans-66.2-32.5178.400000113I860 M867 M868 I880 T887 C888 L960I860-A884 HydrophobicContact CD1-CB 4.21Å; M867-A884 HydrophobicContact CE-CB 4.47Å; M868-A884 HydrophobicContact CG-CB 4.43Å; M868-A884 HydrophobicContact SD-CB 4.01Å; I880-A884 WeakPolarHBondContact O-CB 3.48Å; I880-A884 PolarHBondContact O-N 2.85Å; A884-T887 PolarHBondContact O-OG1 2.69Å; A884-T887 VanDerWaalsContact O-OG1 3.08Å; A884-C888 PolarHBondContact O-SG 2.94Å; A884-L960 HydrophobicContact CB-CD1 4.41Å
885A89.8Confident88.3Confident0 Ų025.3 Ų25.30%014%0.135CC..Hα-helixtrans-66.6-46.1169.600000111.3C881 I883 T887 C888 F889 T953 A956 K957 L960C881-A885 WeakPolarHBondContact O-CB 3.46Å; C881-A885 PolarHBondContact O-N 3.29Å; I883-A885 VanDerWaalsContact C-N 3.33Å; I883-A885 PolarHBondContact O-N 2.83Å; A885-T887 VanDerWaalsContact C-N 3.33Å; A885-T887 PolarHBondContact O-N 2.81Å; A885-C888 VanDerWaalsContact O-CB 3.3Å; A885-C888 WeakPolarHBondContact O-CB 3.43Å; A885-C888 PolarHBondContact O-N 2.91Å; A885-C888 VanDerWaalsContact O-N 3.12Å; A885-F889 WeakPolarHBondContact O-CD2 3.47Å; A885-T953 HydrophobicContact CB-CG2 3.96Å; A885-T953 WeakPolarHBondContact CB-O 3.32Å; A885-A956 HydrophobicContact CB-CB 3.86Å; A885-K957 HydrophobicContact CB-CB 4.14Å; A885-L960 HydrophobicContact CB-CD1 4.18Å
886A87.8Confident86.6Confident16 Ų1628.6 Ų28.613%0.13215%0.153CC..Hα-helixtrans-64.3-33.6-17800000113.1T882 I883 C888 F889 L918 T953T882-A886 WeakPolarHBondContact O-CB 3.22Å; T882-A886 PolarHBondContact O-N 2.93Å; I883-A886 PolarHBondContact O-N 2.72Å; A886-C888 VanDerWaalsContact C-N 3.25Å; A886-C888 PolarHBondContact O-N 3.18Å; A886-F889 PolarHBondContact O-N 3.16Å; A886-L918 HydrophobicContact CB-CD1 4.35Å; A886-T953 HydrophobicContact CB-CG2 4.02Å
887T83.3Confident85.1Confident56 Ų5630.6 Ų30.634%0.34417%0.174SC..Hα-helixtrans-71.2-16.6175.953.80000113.7I883 A884 A885 F889I883-T887 PolarHBondContact O-N 2.99Å; I883-T887 PolarHBondContact O-OG1 2.91Å; A884-T887 PolarHBondContact O-OG1 2.69Å; A884-T887 VanDerWaalsContact O-OG1 3.08Å; A885-T887 VanDerWaalsContact C-N 3.33Å; A885-T887 PolarHBondContact O-N 2.81Å; T887-F889 PolarHBondContact O-N 2.95Å
888C78.2Confident83.8Confident51 Ų5139.6 Ų39.635%0.34521%0.214SC..THydrogen-bonded Turntrans-74.1-12.3173.2-64.50000113.6I860 A884 A885 A886I860-C888 VanDerWaalsContact CG2-SG 3.58Å; A884-C888 PolarHBondContact O-SG 2.94Å; A885-C888 VanDerWaalsContact O-CB 3.3Å; A885-C888 WeakPolarHBondContact O-CB 3.43Å; A885-C888 PolarHBondContact O-N 2.91Å; A885-C888 VanDerWaalsContact O-N 3.12Å; A886-C888 VanDerWaalsContact C-N 3.25Å; A886-C888 PolarHBondContact O-N 3.18Å
889F77.9Confident83.2Confident38 Ų3843.3 Ų43.317%0.16723%0.227CC..SBendtrans-126.6167.3-169.8-62.9-62.7000112.1F475 A885 A886 T887 T949 M952 A956F475-F889 HydrophobicContact CD2-CZ 4.09Å; F475-F889 HydrophobicContact CE2-CE1 4.23Å; F475-F889 HydrophobicContact CE2-CE2 4.41Å; F475-F889 AromaticContact CE2-CZ 3.51Å; F475-F889 HydrophobicContact CE2-CZ 3.51Å; F475-F889 HydrophobicContact CZ-CZ 4.3Å; A885-F889 WeakPolarHBondContact O-CD2 3.47Å; A886-F889 PolarHBondContact O-N 3.16Å; T887-F889 PolarHBondContact O-N 2.95Å; F889-T949 HydrophobicContact CB-CG2 4.46Å; F889-M952 HydrophobicContact CE1-CB 4.02Å; F889-M952 HydrophobicContact CE1-SD 4.34Å; F889-M952 HydrophobicContact CE2-CB 4.19Å; F889-M952 VanDerWaalsContact CE2-O 3.3Å; F889-M952 WeakPolarHBondContact CE2-O 3.05Å; F889-M952 HydrophobicContact CZ-CB 3.82Å; F889-M952 WeakPolarHBondContact CZ-O 3.41Å; F889-A956 HydrophobicContact CE2-CB 3.61Å; F889-A956 HydrophobicContact CZ-CB 4.01Å
890P76Confident82.7Confident38 Ų3843.4 Ų43.425%0.24723%0.227CC..  trans-58.9152.3167.3-17.830.4000111.4Q689 T949Q689-P890 HydrophobicContact CB-CG 4.16Å; Q689-P890 HydrophobicContact CG-CB 4.22Å; Q689-P890 HydrophobicContact CG-CG 3.54Å; P890-T949 WeakPolarHBondContact O-CG2 3.44Å
891E82.3Confident82.1Confident59 Ų5944.7 Ų44.728%0.27624%0.241SC..  trans-60134.9170.5-65165.3-152.500109.8F893 S1025 K1057E891-F893 HydrophobicContact CB-CD2 4.12Å; E891-F893 PolarHBondContact O-N 3.36Å; E891-F893 VanDerWaalsContact O-N 3.13Å; E891-S1025 PolarHBondContact OE1-OG 3.12Å; E891-S1025 WeakPolarHBondContact OE2-CB 3.29Å; E891-S1025 PolarHBondContact OE2-OG 3.25Å; E891-K1057 WeakPolarHBondContact OE1-CE 3.17Å
892P86.1Confident81.6Confident8 Ų849.7 Ų49.75%0.05226%0.26CS..  trans-73.80-176.830.8-36.1000113.7I894 L918 V921 L945 N946 T949 L950P892-I894 PolarHBondContact O-N 2.67Å; P892-L918 VanDerWaalsContact CD-CD2 3.43Å; P892-L918 HydrophobicContact CG-CD2 3.97Å; P892-V921 HydrophobicContact CG-CG1 4.39Å; P892-L945 CarbonylContact O-C 3.45Å; P892-L945 VanDerWaalsContact O-CA 3.26Å; P892-L945 WeakPolarHBondContact O-CA 3.43Å; P892-N946 PolarHBondContact O-N 3.44Å; P892-T949 HydrophobicContact CB-CG2 3.84Å; P892-L950 HydrophobicContact CB-CD2 3.91Å; P892-L950 HydrophobicContact CB-CG 4.06Å; P892-L950 HydrophobicContact CG-CD2 4.02Å
893F87.6Confident81.2Confident24 Ų2453.4 Ų53.411%0.10528%0.279CS..BIsolated β-bridgetrans-78.5114.1-173.5-58.7-59.2000112.7E891 N895 L900 H904 A917 L918 V921 L945E891-F893 HydrophobicContact CB-CD2 4.12Å; E891-F893 PolarHBondContact O-N 3.36Å; E891-F893 VanDerWaalsContact O-N 3.13Å; F893-N895 PolarHBondContact O-N 3.14Å; F893-L900 HydrophobicContact CB-CD2 3.73Å; F893-L900 HydrophobicContact CD2-CD1 4.01Å; F893-L900 HydrophobicContact CD2-CD2 4.19Å; F893-L900 HydrophobicContact CE2-CD1 4.22Å; F893-L900 HydrophobicContact CG-CD1 4.47Å; F893-L900 HydrophobicContact CG-CD2 4.06Å; F893-H904 HydrophobicContact CD1-CB 3.74Å; F893-H904 AromaticContact CD1-CD2 3.31Å; F893-H904 WeakPolarHBondContact CD1-CD2 3.46Å; F893-H904 AromaticContact CD1-CG 3.55Å; F893-H904 AromaticContact CD1-NE2 4Å; F893-H904 HydrophobicContact CE1-CB 3.85Å; F893-H904 AromaticContact CE1-CD2 3.97Å; F893-H904 HydrophobicContact CG-CB 4.32Å; F893-A917 HydrophobicContact CZ-CB 4.34Å; F893-L918 HydrophobicContact CE2-CD2 3.86Å; F893-L918 HydrophobicContact CZ-CD2 4.2Å; F893-V921 HydrophobicContact CE1-CG2 3.69Å; F893-V921 HydrophobicContact CZ-CG2 4.09Å; F893-L945 HydrophobicContact CD1-CD2 3.71Å; F893-L945 HydrophobicContact CE1-CD2 4.12Å
894I80.3Confident81.1Confident87 Ų8753.6 Ų53.645%0.44628%0.28SS..  trans-84.7112.8172.7-56.2175.3000108.4P892 H904 R944 L945 N946P892-I894 PolarHBondContact O-N 2.67Å; I894-H904 PolarHBondContact O-CE1 2.93Å; I894-H904 VanDerWaalsContact O-CE1 3.26Å; I894-R944 HydrophobicContact CB-CB 4.39Å; I894-R944 PolarHBondContact N-O 3.43Å; I894-L945 WeakPolarHBondContact CD1-O 3.42Å; I894-N946 HydrophobicContact CD1-CB 4.44Å; I894-N946 HydrophobicContact CG1-CB 4.35Å
895N71.9Confident80.9Confident64 Ų6454 Ų5434%0.34228%0.282SS..  trans-126.7119.8-172.5-178.621.6000112.3F893 G897 R899 L900F893-N895 PolarHBondContact O-N 3.14Å; N895-G897 VanDerWaalsContact C-N 3.33Å; N895-G897 PolarHBondContact ND2-O 2.95Å; N895-G897 PolarHBondContact OD1-N 3.26Å; N895-G897 PolarHBondContact OD1-O 2.99Å; N895-R899 PolarHBondContact ND2-O 3.2Å; N895-R899 VanDerWaalsContact ND2-O 3.09Å; N895-R899 PolarHBondContact OD1-O 3.49Å; N895-L900 HydrophobicContact CB-CD2 4.37Å
896E61.9Low80.9Confident143 Ų14359 Ų5967%0.66831%0.308SS*.SBendtrans-80.4-13.7177.5-63165.7-168.400112.5R944E896-R944 IonicContact OE1-CZ 3.77Å; E896-R944 IonicContact OE1-NE 3.97Å; E896-R944 IonicContact OE1-NH2 2.74Å; E896-R944 PolarHBondContact OE1-NH2 2.85Å
897G64Low81.1Confident44 Ų4459 Ų5945%0.45431%0.305SS..SBendtrans-113172.4-173.600000115.4N895 R899N895-G897 VanDerWaalsContact C-N 3.33Å; N895-G897 PolarHBondContact ND2-O 2.95Å; N895-G897 PolarHBondContact OD1-N 3.26Å; N895-G897 PolarHBondContact OD1-O 2.99Å; G897-R899 PolarHBondContact O-N 3.14Å; G897-R899 VanDerWaalsContact O-N 3.14Å
898K69.8Low81.5Confident190 Ų19056.5 Ų56.583%0.82629%0.291SS*.SBendtrans-68.4-8.3179.4-71.5178.8-179.1169.70115.1K1024K898-K1024 WeakPolarHBondContact O-CB 3.09Å
899R82.9Confident82Confident83 Ų8355.7 Ų55.731%0.31329%0.29SS..SBendtrans-151.2153.9-178.6-67.6178.4177.6146.3-10.3109.6N895 G897 G901 K1024 P1030 F1031N895-R899 PolarHBondContact ND2-O 3.2Å; N895-R899 VanDerWaalsContact ND2-O 3.09Å; N895-R899 PolarHBondContact OD1-O 3.49Å; G897-R899 PolarHBondContact O-N 3.14Å; G897-R899 VanDerWaalsContact O-N 3.14Å; R899-G901 PolarHBondContact O-N 3.26Å; R899-K1024 WeakPolarHBondContact CA-O 3.41Å; R899-K1024 HydrophobicContact CG-CB 4.43Å; R899-P1030 PolarHBondContact NE-O 3.32Å; R899-P1030 PolarHBondContact NH1-O 3.02Å; R899-P1030 PolarHBondContact NH2-O 3.13Å; R899-F1031 PolarHBondContact NH1-O 3.4Å
900L84.4Confident82.6Confident3 Ų354.8 Ų54.82%0.01629%0.287CS..  trans-56.6135.7175.4-69.5-173.1000112.3F893 N895 H904 R905 S1025 V1027 F1031F893-L900 HydrophobicContact CB-CD2 3.73Å; F893-L900 HydrophobicContact CD2-CD1 4.01Å; F893-L900 HydrophobicContact CD2-CD2 4.19Å; F893-L900 HydrophobicContact CE2-CD1 4.22Å; F893-L900 HydrophobicContact CG-CD1 4.47Å; F893-L900 HydrophobicContact CG-CD2 4.06Å; N895-L900 HydrophobicContact CB-CD2 4.37Å; L900-H904 HydrophobicContact CB-CB 4.26Å; L900-H904 HydrophobicContact CD1-CB 4.13Å; L900-H904 HydrophobicContact CD2-CB 4.28Å; L900-H904 HydrophobicContact CG-CB 4.47Å; L900-R905 HydrophobicContact CB-CG 4.46Å; L900-R905 PolarHBondContact O-NE 3.27Å; L900-R905 PolarHBondContact O-NH2 3.43Å; L900-S1025 WeakPolarHBondContact CD1-O 3.2Å; L900-S1025 WeakPolarHBondContact CG-O 3.41Å; L900-V1027 HydrophobicContact CD1-CG1 3.94Å; L900-F1031 WeakPolarHBondContact O-CE1 3.23Å; L900-F1031 WeakPolarHBondContact O-CZ 3.48Å
901G83.6Confident83.3Confident28 Ų2853.2 Ų53.229%0.28928%0.277SS..  trans-77179.7176.400000113.9R899 I903 H904 R905R899-G901 PolarHBondContact O-N 3.26Å; G901-I903 PolarHBondContact O-N 3.47Å; G901-H904 PolarHBondContact O-N 3.21Å; G901-R905 WeakPolarHBondContact O-CG 3.4Å; G901-R905 PolarHBondContact O-N 3.05Å
902Y84.6Confident83.8Confident104 Ų10451.8 Ų51.841%0.40827%0.27SS..Hα-helixtrans-61.7-39.9-178.4-61-55.7000113.3H904 R905 N906 F1031 Y1155Y902-H904 VanDerWaalsContact C-N 3.32Å; Y902-H904 PolarHBondContact O-N 3.34Å; Y902-R905 PolarHBondContact O-N 2.91Å; Y902-N906 PolarHBondContact O-N 3.35Å; Y902-N906 PolarHBondContact O-OD1 3.22Å; Y902-F1031 AromaticContact CD1-CE2 3.57Å; Y902-F1031 HydrophobicContact CD1-CE2 3.57Å; Y902-F1031 AromaticContact CD1-CZ 3.61Å; Y902-F1031 HydrophobicContact CD1-CZ 3.61Å; Y902-F1031 AromaticContact CE1-CD2 3.75Å; Y902-F1031 HydrophobicContact CE1-CD2 3.75Å; Y902-F1031 HydrophobicContact CE1-CE1 4.18Å; Y902-F1031 AromaticContact CE1-CE2 3.14Å; Y902-F1031 HydrophobicContact CE1-CE2 3.14Å; Y902-F1031 HydrophobicContact CE1-CG 4.44Å; Y902-F1031 AromaticContact CE1-CZ 3.38Å; Y902-F1031 HydrophobicContact CE1-CZ 3.38Å; Y902-F1031 HydrophobicContact CG-CZ 4.41Å; Y902-Y1155 HydrophobicContact CD1-CD1 4.17Å; Y902-Y1155 AromaticContact CD1-CD2 3.83Å; Y902-Y1155 HydrophobicContact CD1-CD2 3.83Å; Y902-Y1155 HydrophobicContact CD1-CE1 4.2Å; Y902-Y1155 AromaticContact CD1-CE2 3.85Å; Y902-Y1155 HydrophobicContact CD1-CE2 3.85Å; Y902-Y1155 HydrophobicContact CD1-CG 4.02Å; Y902-Y1155 AromaticContact CE1-CD1 3.67Å; Y902-Y1155 HydrophobicContact CE1-CD1 3.67Å; Y902-Y1155 AromaticContact CE1-CD2 3.83Å; Y902-Y1155 HydrophobicContact CE1-CD2 3.83Å; Y902-Y1155 AromaticContact CE1-CE1 3.3Å; Y902-Y1155 HydrophobicContact CE1-CE1 3.3Å; Y902-Y1155 AromaticContact CE1-CE2 3.47Å; Y902-Y1155 HydrophobicContact CE1-CE2 3.47Å; Y902-Y1155 VanDerWaalsContact CE1-CE2 3.47Å; Y902-Y1155 AromaticContact CE1-CG 3.95Å; Y902-Y1155 HydrophobicContact CE1-CG 3.95Å; Y902-Y1155 AromaticContact CE1-CZ 3.22Å; Y902-Y1155 AromaticContact CZ-CD1 3.95Å; Y902-Y1155 AromaticContact CZ-CE1 3.55Å; Y902-Y1155 AromaticContact CZ-CZ 3.89Å; Y902-Y1155 WeakPolarHBondContact OH-CE1 3.34Å
903I87.9Confident84.2Confident80 Ų8051.4 Ų51.441%0.4127%0.267SS..Hα-helixtrans-54.9-47.9-179.1-61.9174.9000111G901 F907 K943G901-I903 PolarHBondContact O-N 3.47Å; I903-F907 VanDerWaalsContact O-CD2 3.29Å; I903-F907 WeakPolarHBondContact O-CD2 3.25Å; I903-K943 HydrophobicContact CG2-CD 4.05Å
904H90Very high84.6Confident9 Ų950.9 Ų50.94%0.04227%0.265CS..Hα-helixtrans-71.3-40.1-179.9-54.1134.5000112.4F893 I894 L900 G901 Y902 N906 F907 K943 R944F893-H904 HydrophobicContact CD1-CB 3.74Å; F893-H904 AromaticContact CD1-CD2 3.31Å; F893-H904 WeakPolarHBondContact CD1-CD2 3.46Å; F893-H904 AromaticContact CD1-CG 3.55Å; F893-H904 AromaticContact CD1-NE2 4Å; F893-H904 HydrophobicContact CE1-CB 3.85Å; F893-H904 AromaticContact CE1-CD2 3.97Å; F893-H904 HydrophobicContact CG-CB 4.32Å; I894-H904 PolarHBondContact O-CE1 2.93Å; I894-H904 VanDerWaalsContact O-CE1 3.26Å; L900-H904 HydrophobicContact CB-CB 4.26Å; L900-H904 HydrophobicContact CD1-CB 4.13Å; L900-H904 HydrophobicContact CD2-CB 4.28Å; L900-H904 HydrophobicContact CG-CB 4.47Å; G901-H904 PolarHBondContact O-N 3.21Å; Y902-H904 VanDerWaalsContact C-N 3.32Å; Y902-H904 PolarHBondContact O-N 3.34Å; H904-N906 VanDerWaalsContact C-N 3.31Å; H904-N906 PolarHBondContact O-N 3.04Å; H904-F907 PolarHBondContact O-N 3.21Å; H904-K943 PolarHBondContact NE2-O 3.16Å; H904-R944 PolarHBondContact NE2-O 3.42Å
905R88.4Confident85.3Confident9 Ų947.1 Ų47.13%0.03425%0.246CC..Hα-helixtrans-66.2-30.9179.7-70.4174.4-174.3-123.5-9.7113.8L900 G901 Y902 F907 A908 V1027 C1029 F1031L900-R905 HydrophobicContact CB-CG 4.46Å; L900-R905 PolarHBondContact O-NE 3.27Å; L900-R905 PolarHBondContact O-NH2 3.43Å; G901-R905 WeakPolarHBondContact O-CG 3.4Å; G901-R905 PolarHBondContact O-N 3.05Å; Y902-R905 PolarHBondContact O-N 2.91Å; R905-F907 PolarHBondContact O-N 3.15Å; R905-A908 VanDerWaalsContact O-CB 3.3Å; R905-A908 WeakPolarHBondContact O-CB 3.34Å; R905-A908 PolarHBondContact O-N 3.33Å; R905-V1027 HydrophobicContact CG-CB 4.08Å; R905-V1027 HydrophobicContact CG-CG1 4.25Å; R905-V1027 PolarHBondContact NH1-O 3.32Å; R905-C1029 PolarHBondContact NH1-O 3.45Å; R905-C1029 PolarHBondContact NH2-O 2.85Å; R905-F1031 VanDerWaalsContact CZ-CZ 3.42Å; R905-F1031 VanDerWaalsContact NE-CE2 3.3Å; R905-F1031 VanDerWaalsContact NH1-CE2 3.28Å
906N89.8Confident86.3Confident104 Ų10444.2 Ų44.256%0.55623%0.23SC*.G310 helixtrans-63.2-24.2179.5-70.9-4.6000112.3Y902 H904 A908 G909Y902-N906 PolarHBondContact O-N 3.35Å; Y902-N906 PolarHBondContact O-OD1 3.22Å; H904-N906 VanDerWaalsContact C-N 3.31Å; H904-N906 PolarHBondContact O-N 3.04Å; N906-A908 PolarHBondContact O-N 3.18Å; N906-G909 PolarHBondContact O-N 2.99Å; N906-G909 VanDerWaalsContact O-N 3.16Å
907F93.1Very high87.9Confident17 Ų1737.4 Ų37.48%0.07520%0.198CC..G310 helixtrans-68.7-18.5172.3-68.1-81.6000113.6I903 H904 R905 G909 A917 S920 V921 A924 F939 K943 N981I903-F907 VanDerWaalsContact O-CD2 3.29Å; I903-F907 WeakPolarHBondContact O-CD2 3.25Å; H904-F907 PolarHBondContact O-N 3.21Å; R905-F907 PolarHBondContact O-N 3.15Å; F907-G909 VanDerWaalsContact C-N 3.26Å; F907-G909 PolarHBondContact O-N 2.96Å; F907-A917 HydrophobicContact CB-CB 4.14Å; F907-S920 WeakPolarHBondContact O-CB 3.49Å; F907-S920 PolarHBondContact O-OG 3.27Å; F907-V921 HydrophobicContact CB-CG2 3.93Å; F907-V921 HydrophobicContact CD1-CB 4.4Å; F907-V921 HydrophobicContact CD1-CG2 3.68Å; F907-V921 HydrophobicContact CD2-CG2 3.57Å; F907-V921 HydrophobicContact CE1-CG2 3.96Å; F907-V921 HydrophobicContact CE2-CG2 3.85Å; F907-V921 HydrophobicContact CG-CG2 3.46Å; F907-V921 VanDerWaalsContact CG-CG2 3.46Å; F907-V921 HydrophobicContact CZ-CG2 4.03Å; F907-A924 HydrophobicContact CE1-CB 4.13Å; F907-F939 HydrophobicContact CZ-CZ 4.32Å; F907-K943 HydrophobicContact CE2-CD 4.18Å; F907-K943 HydrophobicContact CZ-CD 3.86Å; F907-K943 HydrophobicContact CZ-CG 4.15Å; F907-N981 PolarHBondContact O-ND2 3.49Å
908A91.3Very high89.3Confident4 Ų436.5 Ų36.53%0.03318%0.183CC..G310 helixtrans-77.7-11.2172.400000113.4R905 N906 N910 R911 A917 V1027R905-A908 VanDerWaalsContact O-CB 3.3Å; R905-A908 WeakPolarHBondContact O-CB 3.34Å; R905-A908 PolarHBondContact O-N 3.33Å; N906-A908 PolarHBondContact O-N 3.18Å; A908-N910 PolarHBondContact O-N 3.49Å; A908-R911 PolarHBondContact O-N 2.77Å; A908-A917 HydrophobicContact CB-CB 4.06Å; A908-V1027 HydrophobicContact CB-CB 4.17Å; A908-V1027 HydrophobicContact CB-CG1 4.31Å; A908-V1027 HydrophobicContact CB-CG2 3.76Å
909G89.4Confident90.5Very high33 Ų3327.7 Ų27.734%0.3415%0.145SC..THydrogen-bonded Turntrans49-126.8-175.300000112.7N906 F907 N981N906-G909 PolarHBondContact O-N 2.99Å; N906-G909 VanDerWaalsContact O-N 3.16Å; F907-G909 VanDerWaalsContact C-N 3.26Å; F907-G909 PolarHBondContact O-N 2.96Å; G909-N981 WeakPolarHBondContact CA-O 3.47Å
910N89.1Confident91Very high19 Ų1924.2 Ų24.210%0.10213%0.134CC..THydrogen-bonded Turntrans-103.316.9172.174.3-24.4000113.6A908 F912 N981 T982 G983 L1148 M1149A908-N910 PolarHBondContact O-N 3.49Å; N910-F912 VanDerWaalsContact O-CD2 3.26Å; N910-F912 WeakPolarHBondContact O-CD2 3.25Å; N910-F912 WeakPolarHBondContact O-CE2 3.35Å; N910-N981 PolarHBondContact N-O 2.95Å; N910-N981 PolarHBondContact OD1-O 3.11Å; N910-N981 VanDerWaalsContact OD1-O 3.09Å; N910-T982 VanDerWaalsContact OD1-CA 3.31Å; N910-T982 WeakPolarHBondContact OD1-CA 3.26Å; N910-G983 PolarHBondContact OD1-N 2.89Å; N910-L1148 VanDerWaalsContact ND2-C 3.33Å; N910-L1148 WeakPolarHBondContact ND2-CB 3.25Å; N910-L1148 PolarHBondContact ND2-O 2.94Å; N910-M1149 PolarHBondContact ND2-SD 2.97Å
911R90.9Very high91.5Very high6 Ų624.1 Ų24.12%0.02313%0.133CC..SBendtrans-90.7-8.9-178.1-53.3-37.5-156.6112.36.9114.7A908 S913 V916 N981 G983 L988 D989A908-R911 PolarHBondContact O-N 2.77Å; R911-S913 VanDerWaalsContact C-N 3.29Å; R911-S913 PolarHBondContact O-N 3.25Å; R911-V916 HydrophobicContact CB-CB 4.36Å; R911-V916 HydrophobicContact CB-CG1 4.15Å; R911-V916 HydrophobicContact CB-CG2 4.21Å; R911-V916 HydrophobicContact CG-CG1 4.08Å; R911-N981 WeakPolarHBondContact CG-O 3.48Å; R911-G983 VanDerWaalsContact CZ-O 3.25Å; R911-G983 PolarHBondContact NE-O 3.04Å; R911-G983 PolarHBondContact NH2-O 2.73Å; R911-L988 HydrophobicContact CG-CD2 4.05Å; R911-D989 IonicContact CZ-OD1 3.95Å; R911-D989 IonicContact NH1-OD1 2.78Å; R911-D989 PolarHBondContact NH1-OD1 3.37Å; R911-D989 IonicContact NH2-OD1 3.21Å; R911-D989 PolarHBondContact NH2-OD1 2.73Å
912F92.6Very high92Very high29 Ų2923 Ų2313%0.12712%0.12CC..  trans50.446.6177.7-58.3-85.6000113N910 N1028 Y1038 P1039 L1061N910-F912 VanDerWaalsContact O-CD2 3.26Å; N910-F912 WeakPolarHBondContact O-CD2 3.25Å; N910-F912 WeakPolarHBondContact O-CE2 3.35Å; F912-N1028 WeakPolarHBondContact CA-OD1 3.35Å; F912-N1028 WeakPolarHBondContact CB-OD1 3.47Å; F912-N1028 PolarHBondContact O-ND2 3.36Å; F912-N1028 PolarHBondContact O-OD1 2.92Å; F912-Y1038 HydrophobicContact CB-CD1 4.41Å; F912-Y1038 AromaticContact CD1-CD1 3.67Å; F912-Y1038 HydrophobicContact CD1-CD1 3.67Å; F912-Y1038 AromaticContact CD1-CE1 3.75Å; F912-Y1038 HydrophobicContact CD1-CE1 3.75Å; F912-Y1038 HydrophobicContact CE1-CD1 4.09Å; F912-Y1038 HydrophobicContact CE1-CE1 4.35Å; F912-Y1038 HydrophobicContact CG-CD1 4.07Å; F912-Y1038 HydrophobicContact CG-CE1 4.38Å; F912-P1039 HydrophobicContact CD2-CG 4.35Å; F912-P1039 HydrophobicContact CE2-CG 3.8Å; F912-P1039 HydrophobicContact CZ-CG 4.49Å; F912-L1061 HydrophobicContact CB-CB 3.8Å; F912-L1061 HydrophobicContact CB-CD1 4.05Å; F912-L1061 HydrophobicContact CD2-CD1 4.25Å; F912-L1061 HydrophobicContact CG-CD1 4.3Å; F912-L1061 PolarHBondContact O-N 2.98Å; F912-L1061 VanDerWaalsContact O-N 3.16Å
913S94.9Very high92.3Very high0 Ų019.5 Ų19.50%011%0.107CC..BIsolated β-bridgetrans-139.5125.1-170.5174.70000112.3R911 H915 V916 A917 M1059 T1060R911-S913 VanDerWaalsContact C-N 3.29Å; R911-S913 PolarHBondContact O-N 3.25Å; S913-H915 PolarHBondContact OG-N 3.46Å; S913-V916 WeakPolarHBondContact OG-CG2 3.32Å; S913-V916 PolarHBondContact OG-N 3.27Å; S913-V916 VanDerWaalsContact OG-N 3.14Å; S913-A917 PolarHBondContact O-N 2.95Å; S913-M1059 WeakPolarHBondContact CA-O 3.17Å; S913-T1060 WeakPolarHBondContact OG-CB 3.46Å; S913-T1060 WeakPolarHBondContact OG-CG2 3.46Å; S913-T1060 PolarHBondContact OG-OG1 2.88Å
914D94.9Very high92.6Very high12 Ų1217.2 Ų17.26%0.06410%0.101CC..Hα-helixtrans-63.9-41.5172.6-69.7-38.8000110.7A917 L918 S1026 V1027 M1059D914-A917 WeakPolarHBondContact O-CB 3.22Å; D914-A917 PolarHBondContact O-N 2.96Å; D914-L918 WeakPolarHBondContact O-CG 3.49Å; D914-L918 PolarHBondContact O-N 3.39Å; D914-S1026 VanDerWaalsContact CG-OG 3.28Å; D914-S1026 VanDerWaalsContact OD1-CA 3.26Å; D914-S1026 WeakPolarHBondContact OD1-CA 3.33Å; D914-S1026 PolarHBondContact OD1-OG 2.98Å; D914-S1026 WeakPolarHBondContact OD2-CA 3.22Å; D914-S1026 WeakPolarHBondContact OD2-CB 3.4Å; D914-S1026 PolarHBondContact OD2-OG 2.96Å; D914-V1027 WeakPolarHBondContact OD1-CG2 3.38Å; D914-V1027 PolarHBondContact OD1-N 2.95Å; D914-M1059 PolarHBondContact N-O 2.97Å; D914-M1059 PolarHBondContact OD2-N 3.11Å
915H95Very high92.9Very high8 Ų816.8 Ų16.84%0.03710%0.099CC..Hα-helixtrans-67.5-36.7178.9-59.7101000113I883 S913 A917 L918 L919 L995 G1058 T1060I883-H915 HydrophobicContact CG2-CB 4.43Å; S913-H915 PolarHBondContact OG-N 3.46Å; H915-A917 VanDerWaalsContact C-N 3.35Å; H915-L918 PolarHBondContact O-N 2.96Å; H915-L919 PolarHBondContact O-N 2.79Å; H915-L995 HydrophobicContact CB-CD2 3.55Å; H915-L995 WeakPolarHBondContact ND1-CD2 3.36Å; H915-G1058 PolarHBondContact CE1-O 3.34Å; H915-T1060 PolarHBondContact ND1-OG1 3.31Å
916V94.8Very high93Very high3 Ų317.4 Ų17.42%0.01810%0.103CC..Hα-helixtrans-67.7-38.51721760000110.3R911 S913 L918 L919 S920 N981 L988 I992R911-V916 HydrophobicContact CB-CB 4.36Å; R911-V916 HydrophobicContact CB-CG1 4.15Å; R911-V916 HydrophobicContact CB-CG2 4.21Å; R911-V916 HydrophobicContact CG-CG1 4.08Å; S913-V916 WeakPolarHBondContact OG-CG2 3.32Å; S913-V916 PolarHBondContact OG-N 3.27Å; S913-V916 VanDerWaalsContact OG-N 3.14Å; V916-L918 VanDerWaalsContact C-N 3.33Å; V916-L918 PolarHBondContact O-N 2.95Å; V916-L919 PolarHBondContact O-N 3.17Å; V916-S920 WeakPolarHBondContact O-CB 3.32Å; V916-S920 PolarHBondContact O-N 3.35Å; V916-S920 PolarHBondContact O-OG 3.14Å; V916-N981 HydrophobicContact CG1-CB 3.94Å; V916-L988 HydrophobicContact CG1-CD1 4.46Å; V916-L988 HydrophobicContact CG1-CD2 4.16Å; V916-L988 HydrophobicContact CG2-CD1 4.13Å; V916-I992 HydrophobicContact CG2-CD1 4.1Å; V916-I992 HydrophobicContact CG2-CG1 4.18Å
917A94.3Very high93.1Very high0 Ų017.4 Ų17.40%010%0.103CC..Hα-helixtrans-60.6-42.4174.500000112F893 F907 A908 S913 D914 H915 V921 V1027F893-A917 HydrophobicContact CZ-CB 4.34Å; F907-A917 HydrophobicContact CB-CB 4.14Å; A908-A917 HydrophobicContact CB-CB 4.06Å; S913-A917 PolarHBondContact O-N 2.95Å; D914-A917 WeakPolarHBondContact O-CB 3.22Å; D914-A917 PolarHBondContact O-N 2.96Å; H915-A917 VanDerWaalsContact C-N 3.35Å; A917-V921 WeakPolarHBondContact O-CB 3.35Å; A917-V921 WeakPolarHBondContact O-CG2 3.41Å; A917-V921 PolarHBondContact O-N 3.27Å; A917-V1027 HydrophobicContact CB-CG1 4.14Å
918L93.4Very high93.1Very high26 Ų2617.4 Ų17.414%0.13611%0.106CC..Hα-helixtrans-62.2-45.3173.9-67.6172.9000112.1A886 P892 F893 D914 H915 V916 V921 F922A886-L918 HydrophobicContact CB-CD1 4.35Å; P892-L918 VanDerWaalsContact CD-CD2 3.43Å; P892-L918 HydrophobicContact CG-CD2 3.97Å; F893-L918 HydrophobicContact CE2-CD2 3.86Å; F893-L918 HydrophobicContact CZ-CD2 4.2Å; D914-L918 WeakPolarHBondContact O-CG 3.49Å; D914-L918 PolarHBondContact O-N 3.39Å; H915-L918 PolarHBondContact O-N 2.96Å; V916-L918 VanDerWaalsContact C-N 3.33Å; V916-L918 PolarHBondContact O-N 2.95Å; L918-V921 PolarHBondContact O-N 2.86Å; L918-F922 WeakPolarHBondContact O-CB 3.41Å; L918-F922 PolarHBondContact O-N 3.35Å
919L94.7Very high93.1Very high4 Ų420.7 Ų20.72%0.02112%0.117CC..Hα-helixtrans-61.3-46.8177.3-179.261.3000112A879 T882 I883 H915 V916 F922 Q923 F979 L988A879-L919 HydrophobicContact CB-CD1 4.43Å; A879-L919 HydrophobicContact CB-CD2 4.28Å; T882-L919 HydrophobicContact CG2-CD1 3.93Å; I883-L919 HydrophobicContact CD1-CD2 4.42Å; H915-L919 PolarHBondContact O-N 2.79Å; V916-L919 PolarHBondContact O-N 3.17Å; L919-F922 PolarHBondContact O-N 3.44Å; L919-Q923 WeakPolarHBondContact O-CG 3.35Å; L919-Q923 PolarHBondContact O-N 3.01Å; L919-F979 HydrophobicContact CD2-CD2 3.73Å; L919-F979 HydrophobicContact CD2-CE2 4.23Å; L919-F979 HydrophobicContact CD2-CG 4.42Å; L919-F979 HydrophobicContact CG-CD2 4.32Å; L919-L988 HydrophobicContact CD2-CD1 4.04Å
920S94.8Very high93.1Very high11 Ų1125.7 Ų25.78%0.07713%0.134CC..Hα-helixtrans-69.5-31.7178.3-64.50000113.4F907 V916 A924 N981F907-S920 WeakPolarHBondContact O-CB 3.49Å; F907-S920 PolarHBondContact O-OG 3.27Å; V916-S920 WeakPolarHBondContact O-CB 3.32Å; V916-S920 PolarHBondContact O-N 3.35Å; V916-S920 PolarHBondContact O-OG 3.14Å; S920-A924 WeakPolarHBondContact O-CB 3.47Å; S920-A924 PolarHBondContact O-N 2.88Å; S920-A924 VanDerWaalsContact O-N 3.17Å; S920-N981 PolarHBondContact OG-ND2 3.33Å
921V94.4Very high93.1Very high0 Ų027.6 Ų27.60%016%0.157CC..Hα-helixtrans-62.4-47.9168.5164.30000110.2P892 F893 F907 A917 L918 A924 W925 L945 L950P892-V921 HydrophobicContact CG-CG1 4.39Å; F893-V921 HydrophobicContact CE1-CG2 3.69Å; F893-V921 HydrophobicContact CZ-CG2 4.09Å; F907-V921 HydrophobicContact CB-CG2 3.93Å; F907-V921 HydrophobicContact CD1-CB 4.4Å; F907-V921 HydrophobicContact CD1-CG2 3.68Å; F907-V921 HydrophobicContact CD2-CG2 3.57Å; F907-V921 HydrophobicContact CE1-CG2 3.96Å; F907-V921 HydrophobicContact CE2-CG2 3.85Å; F907-V921 HydrophobicContact CG-CG2 3.46Å; F907-V921 VanDerWaalsContact CG-CG2 3.46Å; F907-V921 HydrophobicContact CZ-CG2 4.03Å; A917-V921 WeakPolarHBondContact O-CB 3.35Å; A917-V921 WeakPolarHBondContact O-CG2 3.41Å; A917-V921 PolarHBondContact O-N 3.27Å; L918-V921 PolarHBondContact O-N 2.86Å; V921-A924 PolarHBondContact O-N 3.14Å; V921-W925 WeakPolarHBondContact O-CB 3.47Å; V921-W925 PolarHBondContact O-N 3.36Å; V921-L945 HydrophobicContact CG1-CD1 3.7Å; V921-L945 HydrophobicContact CG1-CD2 4.05Å; V921-L945 HydrophobicContact CG2-CD2 4.47Å; V921-L950 HydrophobicContact CG1-CD1 4.49Å; V921-L950 HydrophobicContact CG1-CD2 3.89Å
922F93.6Very high93.1Very high4 Ų429 Ų292%0.01817%0.174CC..Hα-helixtrans-63.5-44.8-177.3-170.7-85.9000111.8T882 L918 L919 W925 D926 T953 W954 K957T882-F922 HydrophobicContact CG2-CB 3.88Å; T882-F922 HydrophobicContact CG2-CD1 3.53Å; T882-F922 HydrophobicContact CG2-CD2 4.12Å; T882-F922 HydrophobicContact CG2-CE1 4.07Å; T882-F922 HydrophobicContact CG2-CG 3.55Å; L918-F922 WeakPolarHBondContact O-CB 3.41Å; L918-F922 PolarHBondContact O-N 3.35Å; L919-F922 PolarHBondContact O-N 3.44Å; F922-W925 HydrophobicContact CD2-CE3 4.15Å; F922-W925 HydrophobicContact CD2-CZ3 4.22Å; F922-W925 HydrophobicContact CE2-CE3 4.06Å; F922-W925 AromaticContact CE2-CZ3 3.66Å; F922-W925 HydrophobicContact CE2-CZ3 3.66Å; F922-W925 HydrophobicContact CZ-CE3 4.41Å; F922-W925 AromaticContact CZ-CZ3 3.86Å; F922-W925 HydrophobicContact CZ-CZ3 3.86Å; F922-W925 PolarHBondContact O-N 3.35Å; F922-D926 WeakPolarHBondContact O-CB 3.31Å; F922-D926 PolarHBondContact O-N 3.32Å; F922-T953 HydrophobicContact CD2-CG2 3.89Å; F922-T953 HydrophobicContact CE2-CG2 3.8Å; F922-W954 HydrophobicContact CE2-CB 3.92Å; F922-W954 HydrophobicContact CZ-CB 3.69Å; F922-W954 AromaticContact CZ-CD1 3.81Å; F922-W954 HydrophobicContact CZ-CG 4.16Å; F922-K957 HydrophobicContact CE1-CD 3.78Å; F922-K957 HydrophobicContact CZ-CD 3.89Å
923Q91.9Very high92.8Very high31 Ų3133 Ų3315%0.14519%0.193CC..Hα-helixtrans-58.3-50.4174.9-72.5172.5-52.400111.8L919 W925 D926 D927 Q977L919-Q923 WeakPolarHBondContact O-CG 3.35Å; L919-Q923 PolarHBondContact O-N 3.01Å; Q923-W925 VanDerWaalsContact C-N 3.29Å; Q923-W925 PolarHBondContact O-N 3.38Å; Q923-D926 PolarHBondContact O-N 2.9Å; Q923-D927 PolarHBondContact O-N 3.2Å; Q923-Q977 PolarHBondContact NE2-O 3.01Å
924A93.9Very high92.6Very high32 Ų3240 Ų4026%0.26423%0.225SC..Hα-helixtrans-67.5-27.4-179.400000113.6F907 S920 V921 A928 F939F907-A924 HydrophobicContact CE1-CB 4.13Å; S920-A924 WeakPolarHBondContact O-CB 3.47Å; S920-A924 PolarHBondContact O-N 2.88Å; S920-A924 VanDerWaalsContact O-N 3.17Å; V921-A924 PolarHBondContact O-N 3.14Å; A924-A928 PolarHBondContact O-N 3.04Å; A924-F939 HydrophobicContact CB-CE2 3.95Å; A924-F939 HydrophobicContact CB-CZ 3.66Å
925W95.1Very high92.5Very high0 Ų041 Ų410%024%0.235CC..Hα-helixtrans-76.9-40.7172.8166.180.3000112.2V921 F922 Q923 D927 A928 R929 E936 F939 L950 R951 W954V921-W925 WeakPolarHBondContact O-CB 3.47Å; V921-W925 PolarHBondContact O-N 3.36Å; F922-W925 HydrophobicContact CD2-CE3 4.15Å; F922-W925 HydrophobicContact CD2-CZ3 4.22Å; F922-W925 HydrophobicContact CE2-CE3 4.06Å; F922-W925 AromaticContact CE2-CZ3 3.66Å; F922-W925 HydrophobicContact CE2-CZ3 3.66Å; F922-W925 HydrophobicContact CZ-CE3 4.41Å; F922-W925 AromaticContact CZ-CZ3 3.86Å; F922-W925 HydrophobicContact CZ-CZ3 3.86Å; F922-W925 PolarHBondContact O-N 3.35Å; Q923-W925 VanDerWaalsContact C-N 3.29Å; Q923-W925 PolarHBondContact O-N 3.38Å; W925-D927 VanDerWaalsContact C-N 3.32Å; W925-D927 PolarHBondContact O-N 2.71Å; W925-A928 CarbonylContact O-C 3.54Å; W925-A928 PolarHBondContact O-N 3.03Å; W925-A928 VanDerWaalsContact O-N 3.11Å; W925-R929 WeakPolarHBondContact O-CB 3.44Å; W925-R929 PolarHBondContact O-N 2.99Å; W925-E936 WeakPolarHBondContact CZ2-OE1 3.33Å; W925-E936 PolarHBondContact NE1-OE1 3.23Å; W925-F939 HydrophobicContact CB-CD1 4.17Å; W925-F939 HydrophobicContact CB-CE1 3.73Å; W925-F939 HydrophobicContact CB-CZ 4.47Å; W925-L950 HydrophobicContact CB-CD1 4.05Å; W925-L950 HydrophobicContact CD2-CB 3.63Å; W925-L950 HydrophobicContact CD2-CD1 4.14Å; W925-L950 HydrophobicContact CD2-CG 4.35Å; W925-L950 HydrophobicContact CE3-CB 4.02Å; W925-L950 HydrophobicContact CG-CB 4.09Å; W925-L950 HydrophobicContact CG-CD1 3.65Å; W925-L950 HydrophobicContact CG-CG 4.34Å; W925-L950 HydrophobicContact CH2-CB 4.19Å; W925-L950 WeakPolarHBondContact CH2-O 3.44Å; W925-L950 HydrophobicContact CZ2-CB 3.8Å; W925-L950 HydrophobicContact CZ3-CB 4.3Å; W925-R951 HydrophobicContact CH2-CG 4.36Å; W925-R951 HydrophobicContact CZ2-CB 4.43Å; W925-R951 HydrophobicContact CZ2-CG 3.73Å; W925-W954 HydrophobicContact CH2-CB 3.77Å; W925-W954 HydrophobicContact CH2-CG 4.31Å; W925-W954 HydrophobicContact CZ3-CB 3.85Å; W925-W954 HydrophobicContact CZ3-CG 4.34Å
926D91.9Very high92.3Very high23 Ų2340.9 Ų40.912%0.12324%0.235CC..Hα-helixtrans-65-39.5179.1-155.420000110.5F922 Q923 A928 R929 M930F922-D926 WeakPolarHBondContact O-CB 3.31Å; F922-D926 PolarHBondContact O-N 3.32Å; Q923-D926 PolarHBondContact O-N 2.9Å; D926-A928 PolarHBondContact O-N 3.5Å; D926-R929 PolarHBondContact O-N 2.62Å; D926-R929 IonicContact OD1-CZ 2.78Å; D926-R929 VanDerWaalsContact OD1-CZ 3.24Å; D926-R929 IonicContact OD1-NE 3.42Å; D926-R929 PolarHBondContact OD1-NE 3.29Å; D926-R929 IonicContact OD1-NH2 3.71Å; D926-R929 PolarHBondContact OD1-NH2 2.88Å; D926-M930 WeakPolarHBondContact O-CG 3.22Å; D926-M930 PolarHBondContact O-N 2.89Å
927D91.2Very high91.9Very high103 Ų10343.9 Ų43.955%0.55125%0.25SS*.Hα-helixtrans-58.7-43.3169.2-75.2-13.8000112.5Q923 W925 M930Q923-D927 PolarHBondContact O-N 3.2Å; W925-D927 VanDerWaalsContact C-N 3.32Å; W925-D927 PolarHBondContact O-N 2.71Å; D927-M930 WeakPolarHBondContact OD1-CE 3.42Å
928A93.4Very high91.7Very high18 Ų1851.5 Ų51.515%0.14928%0.279CS..Hα-helixtrans-68.9-38.2177.400000112.3A924 W925 D926 M930 G931 A935 F939A924-A928 PolarHBondContact O-N 3.04Å; W925-A928 CarbonylContact O-C 3.54Å; W925-A928 PolarHBondContact O-N 3.03Å; W925-A928 VanDerWaalsContact O-N 3.11Å; D926-A928 PolarHBondContact O-N 3.5Å; A928-M930 VanDerWaalsContact C-N 3.35Å; A928-G931 WeakPolarHBondContact O-CA 3.47Å; A928-G931 PolarHBondContact O-N 2.92Å; A928-A935 WeakPolarHBondContact O-CB 3.32Å; A928-F939 HydrophobicContact CB-CB 3.68Å; A928-F939 HydrophobicContact CB-CD1 4.39Å; A928-F939 HydrophobicContact CB-CD2 3.94Å; A928-F939 HydrophobicContact CB-CG 3.75Å
929R91.6Very high91.8Very high72 Ų7251.9 Ų51.927%0.27228%0.28SS..Hα-helixtrans-64.6-36.3177.5-174.7-176.872.4107.44.8112.2W925 D926 G931 G932 E936W925-R929 WeakPolarHBondContact O-CB 3.44Å; W925-R929 PolarHBondContact O-N 2.99Å; D926-R929 PolarHBondContact O-N 2.62Å; D926-R929 IonicContact OD1-CZ 2.78Å; D926-R929 VanDerWaalsContact OD1-CZ 3.24Å; D926-R929 IonicContact OD1-NE 3.42Å; D926-R929 PolarHBondContact OD1-NE 3.29Å; D926-R929 IonicContact OD1-NH2 3.71Å; D926-R929 PolarHBondContact OD1-NH2 2.88Å; R929-G931 PolarHBondContact O-N 3.46Å; R929-G932 PolarHBondContact O-N 3.45Å; R929-E936 HydrophobicContact CB-CG 4.22Å; R929-E936 HydrophobicContact CG-CG 4.37Å
930M89.2Confident91.5Very high139 Ų13952 Ų5269%0.68528%0.281SS*.THydrogen-bonded Turntrans-62.1-19.2170.5-72.6-171.8-72.100113.1D926 D927 A928 G932D926-M930 WeakPolarHBondContact O-CG 3.22Å; D926-M930 PolarHBondContact O-N 2.89Å; D927-M930 WeakPolarHBondContact OD1-CE 3.42Å; A928-M930 VanDerWaalsContact C-N 3.35Å; M930-G932 VanDerWaalsContact C-N 3.29Å
931G89.6Confident91.1Very high58 Ų5857.7 Ų57.760%0.59831%0.306SS*.THydrogen-bonded Turntrans-80.40.7171.300000115.3A928 R929A928-G931 WeakPolarHBondContact O-CA 3.47Å; A928-G931 PolarHBondContact O-N 2.92Å; R929-G931 PolarHBondContact O-N 3.46Å
932G90.3Very high90.9Very high35 Ų3564.2 Ų64.236%0.36134%0.336SS..  trans93.1171.3-178.200000114.2R929 M930 E934 A935 E936R929-G932 PolarHBondContact O-N 3.45Å; M930-G932 VanDerWaalsContact C-N 3.29Å; G932-E934 PolarHBondContact O-N 3.2Å; G932-A935 WeakPolarHBondContact O-CB 3.38Å; G932-A935 PolarHBondContact O-N 3.12Å; G932-E936 PolarHBondContact O-N 3.02Å
933E86.7Confident90.8Very high115 Ų11566.9 Ų66.954%0.53735%0.348SS..Hα-helixtrans-61.7-40.7-168.8-178155.3-12200113.9A935 E936 I937 R951E933-A935 VanDerWaalsContact C-N 3.26Å; E933-A935 PolarHBondContact O-N 3.42Å; E933-E936 WeakPolarHBondContact O-CB 3.26Å; E933-E936 PolarHBondContact O-N 2.89Å; E933-I937 HydrophobicContact CG-CD1 3.75Å; E933-I937 HydrophobicContact CG-CG1 4.33Å; E933-I937 VanDerWaalsContact O-CG1 3.32Å; E933-I937 WeakPolarHBondContact O-CG1 3.45Å; E933-I937 PolarHBondContact O-N 2.93Å; E933-R951 IonicContact OE1-CZ 2.86Å; E933-R951 IonicContact OE1-NH1 2.83Å; E933-R951 IonicContact OE1-NH2 2.71Å; E933-R951 PolarHBondContact OE1-NH2 2.87Å; E933-R951 VanDerWaalsContact OE1-NH2 3.09Å
934E89.9Confident90.6Very high145 Ų14571.5 Ų71.568%0.67836%0.364SS*.Hα-helixtrans-60.8-35.4174.7-71.4-164.317700113G932 R938G932-E934 PolarHBondContact O-N 3.2Å; E934-R938 WeakPolarHBondContact O-CB 3.44Å; E934-R938 PolarHBondContact O-N 2.7Å; E934-R938 IonicContact OE2-NH2 2.98Å
935A92.3Very high90.3Very high33 Ų3370.3 Ų70.327%0.27335%0.353SS..Hα-helixtrans-73.2-39178.600000111A928 G932 E933 F939A928-A935 WeakPolarHBondContact O-CB 3.32Å; G932-A935 WeakPolarHBondContact O-CB 3.38Å; G932-A935 PolarHBondContact O-N 3.12Å; E933-A935 VanDerWaalsContact C-N 3.26Å; E933-A935 PolarHBondContact O-N 3.42Å; A935-F939 VanDerWaalsContact O-CB 3.27Å; A935-F939 WeakPolarHBondContact O-CB 3.14Å; A935-F939 PolarHBondContact O-N 2.86Å
936E91.8Very high89.7Confident7 Ų771.6 Ų71.63%0.03336%0.36CS..Hα-helixtrans-60.8-50.6173.6-165.4-171.3172.900111.9W925 R929 G932 E933 F939 C940 M947 R951W925-E936 WeakPolarHBondContact CZ2-OE1 3.33Å; W925-E936 PolarHBondContact NE1-OE1 3.23Å; R929-E936 HydrophobicContact CB-CG 4.22Å; R929-E936 HydrophobicContact CG-CG 4.37Å; G932-E936 PolarHBondContact O-N 3.02Å; E933-E936 WeakPolarHBondContact O-CB 3.26Å; E933-E936 PolarHBondContact O-N 2.89Å; E936-F939 PolarHBondContact O-N 3.34Å; E936-C940 PolarHBondContact O-N 3.1Å; E936-C940 PolarHBondContact O-SG 3.37Å; E936-M947 HydrophobicContact CB-SD 4.5Å; E936-M947 HydrophobicContact CG-CG 4.15Å; E936-M947 HydrophobicContact CG-SD 3.88Å; E936-M947 VanDerWaalsContact OE1-CG 3.23Å; E936-M947 WeakPolarHBondContact OE1-CG 3.35Å; E936-R951 IonicContact OE1-CZ 3.92Å; E936-R951 IonicContact OE1-NE 3.84Å; E936-R951 PolarHBondContact OE1-NE 3.15Å; E936-R951 IonicContact OE1-NH2 3.06Å; E936-R951 IonicContact OE2-CZ 2.76Å; E936-R951 IonicContact OE2-NE 3.76Å; E936-R951 PolarHBondContact OE2-NE 3.32Å; E936-R951 IonicContact OE2-NH2 2.8Å; E936-R951 PolarHBondContact OE2-NH2 3.29Å
937I85.6Confident89.2Confident65 Ų6572.2 Ų72.233%0.33336%0.363SS..Hα-helixtrans-59.8-53.4178.4-68.7167.3000109.7E933 F939 C940 E941 M947E933-I937 HydrophobicContact CG-CD1 3.75Å; E933-I937 HydrophobicContact CG-CG1 4.33Å; E933-I937 VanDerWaalsContact O-CG1 3.32Å; E933-I937 WeakPolarHBondContact O-CG1 3.45Å; E933-I937 PolarHBondContact O-N 2.93Å; I937-F939 VanDerWaalsContact C-N 3.27Å; I937-F939 PolarHBondContact O-N 3.04Å; I937-C940 PolarHBondContact O-N 2.94Å; I937-C940 VanDerWaalsContact O-N 3.09Å; I937-E941 HydrophobicContact CG2-CG 4.28Å; I937-E941 WeakPolarHBondContact O-CG 3.47Å; I937-E941 PolarHBondContact O-N 2.76Å; I937-M947 HydrophobicContact CG1-CE 4.31Å; I937-M947 HydrophobicContact CG1-SD 3.95Å
938R91.6Very high88.4Confident160 Ų16068.1 Ų68.160%0.60434%0.343SS*.Hα-helixtrans-59.5-37-179.2-171.3-176.1-57.5160.98.6112.3E934 H942E934-R938 WeakPolarHBondContact O-CB 3.44Å; E934-R938 PolarHBondContact O-N 2.7Å; E934-R938 IonicContact OE2-NH2 2.98Å; R938-H942 WeakPolarHBondContact O-CB 3.49Å; R938-H942 PolarHBondContact O-N 3.33Å; R938-H942 VanDerWaalsContact O-N 3.08Å
939F94.3Very high87.8Confident35 Ų3567.3 Ų67.315%0.15434%0.336CS..Hα-helixtrans-65.1-49.5174178.1-89000111.4F907 A924 W925 A928 A935 E936 I937 E941 H942 K943 L945F907-F939 HydrophobicContact CZ-CZ 4.32Å; A924-F939 HydrophobicContact CB-CE2 3.95Å; A924-F939 HydrophobicContact CB-CZ 3.66Å; W925-F939 HydrophobicContact CB-CD1 4.17Å; W925-F939 HydrophobicContact CB-CE1 3.73Å; W925-F939 HydrophobicContact CB-CZ 4.47Å; A928-F939 HydrophobicContact CB-CB 3.68Å; A928-F939 HydrophobicContact CB-CD1 4.39Å; A928-F939 HydrophobicContact CB-CD2 3.94Å; A928-F939 HydrophobicContact CB-CG 3.75Å; A935-F939 VanDerWaalsContact O-CB 3.27Å; A935-F939 WeakPolarHBondContact O-CB 3.14Å; A935-F939 PolarHBondContact O-N 2.86Å; E936-F939 PolarHBondContact O-N 3.34Å; I937-F939 VanDerWaalsContact C-N 3.27Å; I937-F939 PolarHBondContact O-N 3.04Å; F939-E941 PolarHBondContact O-N 3.13Å; F939-H942 PolarHBondContact O-N 3.03Å; F939-K943 HydrophobicContact CD1-CG 4.36Å; F939-K943 HydrophobicContact CD2-CG 4.17Å; F939-K943 HydrophobicContact CE1-CB 4.48Å; F939-K943 HydrophobicContact CE1-CG 4.08Å; F939-K943 HydrophobicContact CE2-CG 3.9Å; F939-K943 HydrophobicContact CG-CG 4.4Å; F939-K943 HydrophobicContact CZ-CG 3.85Å; F939-K943 VanDerWaalsContact O-CB 3.29Å; F939-K943 WeakPolarHBondContact O-CB 3.4Å; F939-K943 VanDerWaalsContact O-CG 3.32Å; F939-K943 WeakPolarHBondContact O-CG 3.35Å; F939-K943 PolarHBondContact O-N 2.93Å; F939-L945 HydrophobicContact CD1-CD1 4.28Å; F939-L945 HydrophobicContact CE1-CD1 3.59Å; F939-L945 HydrophobicContact CZ-CD1 4.37Å
940C88.9Confident87.6Confident7 Ų764.1 Ų64.15%0.04732%0.324CS..Hα-helixtrans-62.2-44.1-179.1-66.90000112.2E936 I937 R944 L945 M947E936-C940 PolarHBondContact O-N 3.1Å; E936-C940 PolarHBondContact O-SG 3.37Å; I937-C940 PolarHBondContact O-N 2.94Å; I937-C940 VanDerWaalsContact O-N 3.09Å; C940-R944 WeakPolarHBondContact O-CA 3.47Å; C940-R944 PolarHBondContact O-N 2.93Å; C940-L945 PolarHBondContact O-N 3.43Å; C940-M947 HydrophobicContact CB-CB 4.22Å
941E86.7Confident87.4Confident130 Ų13060.5 Ų60.561%0.60730%0.303SS*.Hα-helixtrans-60-53.5174.9-71.6-177.9153.400111.8I937 F939 K943 R944I937-E941 HydrophobicContact CG2-CG 4.28Å; I937-E941 WeakPolarHBondContact O-CG 3.47Å; I937-E941 PolarHBondContact O-N 2.76Å; F939-E941 PolarHBondContact O-N 3.13Å; E941-K943 VanDerWaalsContact C-N 3.3Å; E941-K943 PolarHBondContact O-N 2.82Å; E941-R944 PolarHBondContact O-N 2.94Å; E941-R944 VanDerWaalsContact O-N 3.16Å
942H90.1Very high86.7Confident137 Ų13759.6 Ų59.663%0.63428%0.284SS*.Hα-helixtrans-65.4-31.8-177177.8-122.7000113R938 F939R938-H942 WeakPolarHBondContact O-CB 3.49Å; R938-H942 PolarHBondContact O-N 3.33Å; R938-H942 VanDerWaalsContact O-N 3.08Å; F939-H942 PolarHBondContact O-N 3.03Å
943K90.8Very high86.5Confident60 Ų6058.2 Ų58.226%0.26127%0.269SS..Hα-helixtrans-90.9-4.1177-62.7-60.8-170.2171.70114I903 H904 F907 F939 E941 L945I903-K943 HydrophobicContact CG2-CD 4.05Å; H904-K943 PolarHBondContact NE2-O 3.16Å; F907-K943 HydrophobicContact CE2-CD 4.18Å; F907-K943 HydrophobicContact CZ-CD 3.86Å; F907-K943 HydrophobicContact CZ-CG 4.15Å; F939-K943 HydrophobicContact CD1-CG 4.36Å; F939-K943 HydrophobicContact CD2-CG 4.17Å; F939-K943 HydrophobicContact CE1-CB 4.48Å; F939-K943 HydrophobicContact CE1-CG 4.08Å; F939-K943 HydrophobicContact CE2-CG 3.9Å; F939-K943 HydrophobicContact CG-CG 4.4Å; F939-K943 HydrophobicContact CZ-CG 3.85Å; F939-K943 VanDerWaalsContact O-CB 3.29Å; F939-K943 WeakPolarHBondContact O-CB 3.4Å; F939-K943 VanDerWaalsContact O-CG 3.32Å; F939-K943 WeakPolarHBondContact O-CG 3.35Å; F939-K943 PolarHBondContact O-N 2.93Å; E941-K943 VanDerWaalsContact C-N 3.3Å; E941-K943 PolarHBondContact O-N 2.82Å; K943-L945 HydrophobicContact CB-CD1 3.58Å; K943-L945 HydrophobicContact CB-CG 3.76Å; K943-L945 HydrophobicContact CG-CD1 4.41Å
944R87.8Confident86.6Confident128 Ų12856.9 Ų56.948%0.48326%0.259SS..THydrogen-bonded Turntrans52.862.3-173.2-57-63.9-150.3177.516111.2I894 E896 H904 C940 E941I894-R944 HydrophobicContact CB-CB 4.39Å; I894-R944 PolarHBondContact N-O 3.43Å; E896-R944 IonicContact OE1-CZ 3.77Å; E896-R944 IonicContact OE1-NE 3.97Å; E896-R944 IonicContact OE1-NH2 2.74Å; E896-R944 PolarHBondContact OE1-NH2 2.85Å; H904-R944 PolarHBondContact NE2-O 3.42Å; C940-R944 WeakPolarHBondContact O-CA 3.47Å; C940-R944 PolarHBondContact O-N 2.93Å; E941-R944 PolarHBondContact O-N 2.94Å; E941-R944 VanDerWaalsContact O-N 3.16Å
945L88.6Confident86.3Confident6 Ų653.1 Ų53.13%0.03124%0.241CC..BIsolated β-bridgetrans-123.3146.9-178.1-61.7172000111.9P892 F893 I894 V921 F939 C940 K943 M947 L950P892-L945 CarbonylContact O-C 3.45Å; P892-L945 VanDerWaalsContact O-CA 3.26Å; P892-L945 WeakPolarHBondContact O-CA 3.43Å; F893-L945 HydrophobicContact CD1-CD2 3.71Å; F893-L945 HydrophobicContact CE1-CD2 4.12Å; I894-L945 WeakPolarHBondContact CD1-O 3.42Å; V921-L945 HydrophobicContact CG1-CD1 3.7Å; V921-L945 HydrophobicContact CG1-CD2 4.05Å; V921-L945 HydrophobicContact CG2-CD2 4.47Å; F939-L945 HydrophobicContact CD1-CD1 4.28Å; F939-L945 HydrophobicContact CE1-CD1 3.59Å; F939-L945 HydrophobicContact CZ-CD1 4.37Å; C940-L945 PolarHBondContact O-N 3.43Å; K943-L945 HydrophobicContact CB-CD1 3.58Å; K943-L945 HydrophobicContact CB-CG 3.76Å; K943-L945 HydrophobicContact CG-CD1 4.41Å; L945-M947 PolarHBondContact O-N 3.41Å; L945-L950 HydrophobicContact CB-CD1 4.14Å; L945-L950 HydrophobicContact CD1-CD1 4.26Å
946N81.8Confident85.9Confident28 Ų2851.6 Ų51.615%0.1523%0.229CC..  trans-82.4105172.9-175.4-31.8000110Q689 P892 I894 A948 T949 L950Q689-N946 PolarHBondContact O-ND2 3.34Å; P892-N946 PolarHBondContact O-N 3.44Å; I894-N946 HydrophobicContact CD1-CB 4.44Å; I894-N946 HydrophobicContact CG1-CB 4.35Å; N946-A948 VanDerWaalsContact C-N 3.32Å; N946-A948 PolarHBondContact O-N 2.85Å; N946-A948 PolarHBondContact OD1-N 3.04Å; N946-A948 VanDerWaalsContact OD1-N 3.08Å; N946-T949 VanDerWaalsContact CG-OG1 3.27Å; N946-T949 PolarHBondContact ND2-OG1 3.24Å; N946-T949 WeakPolarHBondContact O-CB 3.47Å; N946-T949 PolarHBondContact O-N 2.7Å; N946-T949 PolarHBondContact OD1-N 3Å; N946-T949 VanDerWaalsContact OD1-N 3.13Å; N946-T949 PolarHBondContact OD1-OG1 3.18Å; N946-L950 PolarHBondContact O-N 3.21Å
947M82Confident85.9Confident36 Ų3651.8 Ų51.818%0.17723%0.229CC..Hα-helixtrans-58.3-39.8-179.4-171.6172.773.200112.8E936 I937 C940 L945 L950 R951E936-M947 HydrophobicContact CB-SD 4.5Å; E936-M947 HydrophobicContact CG-CG 4.15Å; E936-M947 HydrophobicContact CG-SD 3.88Å; E936-M947 VanDerWaalsContact OE1-CG 3.23Å; E936-M947 WeakPolarHBondContact OE1-CG 3.35Å; I937-M947 HydrophobicContact CG1-CE 4.31Å; I937-M947 HydrophobicContact CG1-SD 3.95Å; C940-M947 HydrophobicContact CB-CB 4.22Å; L945-M947 PolarHBondContact O-N 3.41Å; M947-L950 PolarHBondContact O-N 3.02Å; M947-L950 VanDerWaalsContact O-N 3.16Å; M947-R951 PolarHBondContact O-N 2.94Å
948A73.3Confident86.1Confident17 Ų1750.9 Ų50.914%0.1423%0.227CC..Hα-helixtrans-69.1-36.2-178.800000112.6P691 N946 L950 R951 M952P691-A948 HydrophobicContact CB-CB 3.67Å; P691-A948 HydrophobicContact CG-CB 3.85Å; N946-A948 VanDerWaalsContact C-N 3.32Å; N946-A948 PolarHBondContact O-N 2.85Å; N946-A948 PolarHBondContact OD1-N 3.04Å; N946-A948 VanDerWaalsContact OD1-N 3.08Å; A948-L950 VanDerWaalsContact C-N 3.26Å; A948-L950 PolarHBondContact O-N 3.3Å; A948-R951 PolarHBondContact O-N 2.72Å; A948-M952 WeakPolarHBondContact O-CB 3.45Å; A948-M952 WeakPolarHBondContact O-CG 3.3Å; A948-M952 PolarHBondContact O-N 3.27Å
949T80.3Confident85.8Confident1 Ų145.5 Ų45.51%0.00621%0.208CC..Hα-helixtrans-58.6-40.5170.8-61.10000111.4F889 P890 P892 N946 T953F889-T949 HydrophobicContact CB-CG2 4.46Å; P890-T949 WeakPolarHBondContact O-CG2 3.44Å; P892-T949 HydrophobicContact CB-CG2 3.84Å; N946-T949 VanDerWaalsContact CG-OG1 3.27Å; N946-T949 PolarHBondContact ND2-OG1 3.24Å; N946-T949 WeakPolarHBondContact O-CB 3.47Å; N946-T949 PolarHBondContact O-N 2.7Å; N946-T949 PolarHBondContact OD1-N 3Å; N946-T949 VanDerWaalsContact OD1-N 3.13Å; N946-T949 PolarHBondContact OD1-OG1 3.18Å; T949-T953 WeakPolarHBondContact O-CB 3.39Å; T949-T953 PolarHBondContact O-N 2.57Å; T949-T953 PolarHBondContact O-OG1 3.45Å
950L88.1Confident85.7Confident4 Ų443.9 Ų43.92%0.02120%0.201CC..Hα-helixtrans-71-46179.5-62.8167.4000111.6P892 V921 W925 L945 N946 M947 A948 M952 T953 W954P892-L950 HydrophobicContact CB-CD2 3.91Å; P892-L950 HydrophobicContact CB-CG 4.06Å; P892-L950 HydrophobicContact CG-CD2 4.02Å; V921-L950 HydrophobicContact CG1-CD1 4.49Å; V921-L950 HydrophobicContact CG1-CD2 3.89Å; W925-L950 HydrophobicContact CB-CD1 4.05Å; W925-L950 HydrophobicContact CD2-CB 3.63Å; W925-L950 HydrophobicContact CD2-CD1 4.14Å; W925-L950 HydrophobicContact CD2-CG 4.35Å; W925-L950 HydrophobicContact CE3-CB 4.02Å; W925-L950 HydrophobicContact CG-CB 4.09Å; W925-L950 HydrophobicContact CG-CD1 3.65Å; W925-L950 HydrophobicContact CG-CG 4.34Å; W925-L950 HydrophobicContact CH2-CB 4.19Å; W925-L950 WeakPolarHBondContact CH2-O 3.44Å; W925-L950 HydrophobicContact CZ2-CB 3.8Å; W925-L950 HydrophobicContact CZ3-CB 4.3Å; L945-L950 HydrophobicContact CB-CD1 4.14Å; L945-L950 HydrophobicContact CD1-CD1 4.26Å; N946-L950 PolarHBondContact O-N 3.21Å; M947-L950 PolarHBondContact O-N 3.02Å; M947-L950 VanDerWaalsContact O-N 3.16Å; A948-L950 VanDerWaalsContact C-N 3.26Å; A948-L950 PolarHBondContact O-N 3.3Å; L950-M952 PolarHBondContact O-N 3.07Å; L950-T953 WeakPolarHBondContact O-CB 3.35Å; L950-T953 PolarHBondContact O-N 3.48Å; L950-T953 VanDerWaalsContact O-N 3.15Å; L950-W954 PolarHBondContact O-N 2.85Å
951R84.2Confident86Confident63 Ų6345.4 Ų45.424%0.23821%0.207CC..Hα-helixtrans-55.7-49.2172.8-70.4-178.1177.6-175.4-6111.8E693 W925 E933 E936 M947 A948 T953 W954 E955E693-R951 IonicContact OE1-NH1 2.78Å; W925-R951 HydrophobicContact CH2-CG 4.36Å; W925-R951 HydrophobicContact CZ2-CB 4.43Å; W925-R951 HydrophobicContact CZ2-CG 3.73Å; E933-R951 IonicContact OE1-CZ 2.86Å; E933-R951 IonicContact OE1-NH1 2.83Å; E933-R951 IonicContact OE1-NH2 2.71Å; E933-R951 PolarHBondContact OE1-NH2 2.87Å; E933-R951 VanDerWaalsContact OE1-NH2 3.09Å; E936-R951 IonicContact OE1-CZ 3.92Å; E936-R951 IonicContact OE1-NE 3.84Å; E936-R951 PolarHBondContact OE1-NE 3.15Å; E936-R951 IonicContact OE1-NH2 3.06Å; E936-R951 IonicContact OE2-CZ 2.76Å; E936-R951 IonicContact OE2-NE 3.76Å; E936-R951 PolarHBondContact OE2-NE 3.32Å; E936-R951 IonicContact OE2-NH2 2.8Å; E936-R951 PolarHBondContact OE2-NH2 3.29Å; M947-R951 PolarHBondContact O-N 2.94Å; A948-R951 PolarHBondContact O-N 2.72Å; R951-T953 VanDerWaalsContact C-N 3.34Å; R951-T953 PolarHBondContact O-N 3.27Å; R951-W954 WeakPolarHBondContact O-CB 3.37Å; R951-W954 PolarHBondContact O-N 2.94Å; R951-W954 VanDerWaalsContact O-N 3.13Å; R951-E955 WeakPolarHBondContact O-CG 3.33Å; R951-E955 PolarHBondContact O-N 2.99Å
952M76.2Confident86.1Confident39 Ų3943.8 Ų43.819%0.19220%0.2CC..Hα-helixtrans-63-36.4175.6-72.3-172.6-67.600113.3F889 A948 L950 W954 A956F889-M952 HydrophobicContact CE1-CB 4.02Å; F889-M952 HydrophobicContact CE1-SD 4.34Å; F889-M952 HydrophobicContact CE2-CB 4.19Å; F889-M952 VanDerWaalsContact CE2-O 3.3Å; F889-M952 WeakPolarHBondContact CE2-O 3.05Å; F889-M952 HydrophobicContact CZ-CB 3.82Å; F889-M952 WeakPolarHBondContact CZ-O 3.41Å; A948-M952 WeakPolarHBondContact O-CB 3.45Å; A948-M952 WeakPolarHBondContact O-CG 3.3Å; A948-M952 PolarHBondContact O-N 3.27Å; L950-M952 PolarHBondContact O-N 3.07Å; M952-W954 VanDerWaalsContact C-N 3.3Å; M952-A956 WeakPolarHBondContact O-CB 3.49Å; M952-A956 PolarHBondContact O-N 3.4Å
953T85.8Confident86.1Confident7 Ų738.6 Ų38.64%0.04318%0.176CC..Hα-helixtrans-64.7-37.2175-59.10000111A885 A886 F922 T949 L950 R951 K957A885-T953 HydrophobicContact CB-CG2 3.96Å; A885-T953 WeakPolarHBondContact CB-O 3.32Å; A886-T953 HydrophobicContact CB-CG2 4.02Å; F922-T953 HydrophobicContact CD2-CG2 3.89Å; F922-T953 HydrophobicContact CE2-CG2 3.8Å; T949-T953 WeakPolarHBondContact O-CB 3.39Å; T949-T953 PolarHBondContact O-N 2.57Å; T949-T953 PolarHBondContact O-OG1 3.45Å; L950-T953 WeakPolarHBondContact O-CB 3.35Å; L950-T953 PolarHBondContact O-N 3.48Å; L950-T953 VanDerWaalsContact O-N 3.15Å; R951-T953 VanDerWaalsContact C-N 3.34Å; R951-T953 PolarHBondContact O-N 3.27Å; T953-K957 VanDerWaalsContact O-CB 3.29Å; T953-K957 WeakPolarHBondContact O-CB 3.41Å; T953-K957 PolarHBondContact O-N 2.9Å
954W89.8Confident86.3Confident86 Ų8635.8 Ų35.833%0.32616%0.164SC..Hα-helixtrans-67.4-47.6175.8179.490000112.3F922 W925 L950 R951 M952 A956 K957 V958F922-W954 HydrophobicContact CE2-CB 3.92Å; F922-W954 HydrophobicContact CZ-CB 3.69Å; F922-W954 AromaticContact CZ-CD1 3.81Å; F922-W954 HydrophobicContact CZ-CG 4.16Å; W925-W954 HydrophobicContact CH2-CB 3.77Å; W925-W954 HydrophobicContact CH2-CG 4.31Å; W925-W954 HydrophobicContact CZ3-CB 3.85Å; W925-W954 HydrophobicContact CZ3-CG 4.34Å; L950-W954 PolarHBondContact O-N 2.85Å; R951-W954 WeakPolarHBondContact O-CB 3.37Å; R951-W954 PolarHBondContact O-N 2.94Å; R951-W954 VanDerWaalsContact O-N 3.13Å; M952-W954 VanDerWaalsContact C-N 3.3Å; W954-A956 VanDerWaalsContact C-N 3.27Å; W954-A956 PolarHBondContact O-N 2.82Å; W954-K957 WeakPolarHBondContact O-CB 3.41Å; W954-K957 PolarHBondContact O-N 2.81Å; W954-V958 HydrophobicContact CD2-CG2 4.15Å; W954-V958 HydrophobicContact CH2-CG2 4.33Å; W954-V958 HydrophobicContact CZ2-CG2 3.93Å; W954-V958 WeakPolarHBondContact O-CG2 3.32Å; W954-V958 PolarHBondContact O-N 2.76Å
955E83.2Confident86.5Confident67 Ų6731.9 Ų31.931%0.31315%0.152SC..Hα-helixtrans-56.2-43.9174.8-66163.4-173.700111.3F475 R951 V958 Q959F475-E955 HydrophobicContact CB-CB 4.05Å; F475-E955 HydrophobicContact CG-CB 4.43Å; R951-E955 WeakPolarHBondContact O-CG 3.33Å; R951-E955 PolarHBondContact O-N 2.99Å; E955-V958 PolarHBondContact O-N 3.16Å; E955-Q959 PolarHBondContact O-N 2.98Å
956A83.1Confident86.6Confident1 Ų135.9 Ų35.91%0.00817%0.173CC..Hα-helixtrans-65.6-43.1177.700000113.1F475 A885 F889 M952 W954 V958 Q959 L960F475-A956 HydrophobicContact CD1-CB 4.26Å; F475-A956 HydrophobicContact CD2-CB 4.47Å; F475-A956 HydrophobicContact CE1-CB 3.58Å; F475-A956 HydrophobicContact CE2-CB 3.8Å; F475-A956 HydrophobicContact CZ-CB 3.25Å; A885-A956 HydrophobicContact CB-CB 3.86Å; F889-A956 HydrophobicContact CE2-CB 3.61Å; F889-A956 HydrophobicContact CZ-CB 4.01Å; M952-A956 WeakPolarHBondContact O-CB 3.49Å; M952-A956 PolarHBondContact O-N 3.4Å; W954-A956 VanDerWaalsContact C-N 3.27Å; W954-A956 PolarHBondContact O-N 2.82Å; A956-V958 VanDerWaalsContact C-N 3.34Å; A956-V958 PolarHBondContact O-N 3.3Å; A956-Q959 PolarHBondContact O-N 3.4Å; A956-L960 WeakPolarHBondContact O-CB 3.34Å; A956-L960 VanDerWaalsContact O-CG 3.26Å; A956-L960 WeakPolarHBondContact O-CG 3.47Å; A956-L960 PolarHBondContact O-N 2.82Å
957K91.6Very high87Confident11 Ų1136.2 Ų36.25%0.04818%0.178CC..Hα-helixtrans-57.9-45.9173.5174.1-171.5177.8165.80111D878 C881 T882 A885 F922 T953 W954 L960 K961D878-K957 VanDerWaalsContact CG-NZ 3.3Å; D878-K957 WeakPolarHBondContact OD1-CE 3.42Å; D878-K957 IonicContact OD1-NZ 3.63Å; D878-K957 PolarHBondContact OD1-NZ 3.02Å; D878-K957 VanDerWaalsContact OD2-CE 3.29Å; D878-K957 WeakPolarHBondContact OD2-CE 3.28Å; D878-K957 IonicContact OD2-NZ 3.04Å; D878-K957 PolarHBondContact OD2-NZ 2.69Å; C881-K957 HydrophobicContact CB-CG 4.17Å; T882-K957 HydrophobicContact CG2-CD 4.49Å; T882-K957 VanDerWaalsContact OG1-CD 3.28Å; T882-K957 WeakPolarHBondContact OG1-CD 3.34Å; T882-K957 WeakPolarHBondContact OG1-CE 3.33Å; T882-K957 PolarHBondContact OG1-NZ 3.48Å; A885-K957 HydrophobicContact CB-CB 4.14Å; F922-K957 HydrophobicContact CE1-CD 3.78Å; F922-K957 HydrophobicContact CZ-CD 3.89Å; T953-K957 VanDerWaalsContact O-CB 3.29Å; T953-K957 WeakPolarHBondContact O-CB 3.41Å; T953-K957 PolarHBondContact O-N 2.9Å; W954-K957 WeakPolarHBondContact O-CB 3.41Å; W954-K957 PolarHBondContact O-N 2.81Å; K957-L960 PolarHBondContact O-N 3.41Å; K957-K961 HydrophobicContact CG-CD 4.25Å; K957-K961 VanDerWaalsContact O-CG 3.31Å; K957-K961 WeakPolarHBondContact O-CG 3.38Å; K957-K961 PolarHBondContact O-N 2.79Å
958V90.7Very high87.4Confident45 Ų4536.3 Ų36.327%0.27319%0.189SC..Hα-helixtrans-62.4-50.1178.6172.90000110.8W954 E955 A956 L960 K961 E962W954-V958 HydrophobicContact CD2-CG2 4.15Å; W954-V958 HydrophobicContact CH2-CG2 4.33Å; W954-V958 HydrophobicContact CZ2-CG2 3.93Å; W954-V958 WeakPolarHBondContact O-CG2 3.32Å; W954-V958 PolarHBondContact O-N 2.76Å; E955-V958 PolarHBondContact O-N 3.16Å; A956-V958 VanDerWaalsContact C-N 3.34Å; A956-V958 PolarHBondContact O-N 3.3Å; V958-L960 VanDerWaalsContact C-N 3.3Å; V958-L960 PolarHBondContact O-N 2.95Å; V958-K961 WeakPolarHBondContact O-CB 3.37Å; V958-K961 PolarHBondContact O-N 3.31Å; V958-K961 VanDerWaalsContact O-N 3.12Å; V958-E962 HydrophobicContact CG1-CG 4.45Å; V958-E962 WeakPolarHBondContact O-CG 3.28Å; V958-E962 PolarHBondContact O-N 3.27Å
959Q85.4Confident88.5Confident47 Ų4735.7 Ų35.722%0.2218%0.183CC..Hα-helixtrans-58.7-39.7176.7174.1164.4100.900112.5F475 E955 A956 E962 I963F475-Q959 HydrophobicContact CD1-CB 4.08Å; F475-Q959 HydrophobicContact CD1-CG 4.47Å; F475-Q959 HydrophobicContact CE1-CB 4.13Å; F475-Q959 HydrophobicContact CE1-CG 4.37Å; F475-Q959 VanDerWaalsContact CE1-OE1 3.29Å; E955-Q959 PolarHBondContact O-N 2.98Å; A956-Q959 PolarHBondContact O-N 3.4Å; Q959-E962 PolarHBondContact O-N 3.04Å; Q959-I963 HydrophobicContact CG-CD1 3.85Å; Q959-I963 HydrophobicContact CG-CG1 4.45Å; Q959-I963 WeakPolarHBondContact O-CD1 3.38Å; Q959-I963 VanDerWaalsContact O-CG1 3.28Å; Q959-I963 WeakPolarHBondContact O-CG1 3.31Å; Q959-I963 PolarHBondContact O-N 3.23Å
960L91.9Very high89.1Confident1 Ų136.6 Ų36.61%0.00519%0.188CC..Hα-helixtrans-63-42.2176.2-76.1173.4000112.1L858 P859 I860 M868 A884 A885 A956 K957 V958 I963 L964L858-L960 HydrophobicContact CD2-CD2 3.86Å; P859-L960 HydrophobicContact CG-CD2 4.22Å; I860-L960 HydrophobicContact CD1-CD2 4.2Å; I860-L960 HydrophobicContact CG2-CD2 4.27Å; M868-L960 HydrophobicContact CE-CB 3.83Å; M868-L960 HydrophobicContact CE-CD1 4.47Å; M868-L960 HydrophobicContact CE-CD2 3.92Å; M868-L960 HydrophobicContact CE-CG 4.28Å; M868-L960 HydrophobicContact SD-CD1 4.28Å; M868-L960 HydrophobicContact SD-CD2 4.14Å; A884-L960 HydrophobicContact CB-CD1 4.41Å; A885-L960 HydrophobicContact CB-CD1 4.18Å; A956-L960 WeakPolarHBondContact O-CB 3.34Å; A956-L960 VanDerWaalsContact O-CG 3.26Å; A956-L960 WeakPolarHBondContact O-CG 3.47Å; A956-L960 PolarHBondContact O-N 2.82Å; K957-L960 PolarHBondContact O-N 3.41Å; V958-L960 VanDerWaalsContact C-N 3.3Å; V958-L960 PolarHBondContact O-N 2.95Å; L960-I963 PolarHBondContact O-N 3.03Å; L960-L964 PolarHBondContact O-N 3.08Å
961K94Very high89.4Confident40 Ų4041.2 Ų41.217%0.17421%0.21CC..Hα-helixtrans-63.1-45174.1-67.5172.169.1160.40111.3D878 C881 K957 V958 I963 L964 I965 L974D878-K961 WeakPolarHBondContact OD1-CD 3.4Å; D878-K961 WeakPolarHBondContact OD1-CE 3.41Å; D878-K961 IonicContact OD1-NZ 3.64Å; D878-K961 PolarHBondContact OD1-NZ 3.06Å; C881-K961 HydrophobicContact CB-CG 4.23Å; K957-K961 HydrophobicContact CG-CD 4.25Å; K957-K961 VanDerWaalsContact O-CG 3.31Å; K957-K961 WeakPolarHBondContact O-CG 3.38Å; K957-K961 PolarHBondContact O-N 2.79Å; V958-K961 WeakPolarHBondContact O-CB 3.37Å; V958-K961 PolarHBondContact O-N 3.31Å; V958-K961 VanDerWaalsContact O-N 3.12Å; K961-I963 PolarHBondContact O-N 3.18Å; K961-L964 PolarHBondContact O-N 3.05Å; K961-I965 VanDerWaalsContact O-CG1 3.3Å; K961-I965 WeakPolarHBondContact O-CG1 3.31Å; K961-I965 PolarHBondContact O-N 3.49Å; K961-L974 WeakPolarHBondContact CE-O 3.39Å; K961-L974 HydrophobicContact CG-CD2 4.32Å; K961-L974 PolarHBondContact NZ-O 3.31Å
962E90.4Very high89.8Confident96 Ų9642.7 Ų42.745%0.44922%0.222SC..Hα-helixtrans-60.8-41.4177.5-72.5178.3165.200112.5V958 Q959 L964 I965 N966V958-E962 HydrophobicContact CG1-CG 4.45Å; V958-E962 WeakPolarHBondContact O-CG 3.28Å; V958-E962 PolarHBondContact O-N 3.27Å; Q959-E962 PolarHBondContact O-N 3.04Å; E962-L964 VanDerWaalsContact C-N 3.32Å; E962-L964 PolarHBondContact O-N 3.3Å; E962-I965 PolarHBondContact O-N 3.18Å; E962-N966 VanDerWaalsContact O-CB 3.27Å; E962-N966 WeakPolarHBondContact O-CB 3.48Å; E962-N966 PolarHBondContact O-N 3.06Å; E962-N966 PolarHBondContact O-ND2 3.32Å
963I89.8Confident90.7Very high28 Ų2840.8 Ų40.814%0.14421%0.213CC..Hα-helixtrans-62.9-40.4177.3-67.8161.3000110.8K857 L858 P859 Q959 L960 K961 S967K857-I963 HydrophobicContact CB-CG2 4.12Å; L858-I963 HydrophobicContact CD2-CB 4.06Å; L858-I963 HydrophobicContact CD2-CG2 3.65Å; L858-I963 HydrophobicContact CG-CG2 4.2Å; P859-I963 HydrophobicContact CG-CD1 4.48Å; Q959-I963 HydrophobicContact CG-CD1 3.85Å; Q959-I963 HydrophobicContact CG-CG1 4.45Å; Q959-I963 WeakPolarHBondContact O-CD1 3.38Å; Q959-I963 VanDerWaalsContact O-CG1 3.28Å; Q959-I963 WeakPolarHBondContact O-CG1 3.31Å; Q959-I963 PolarHBondContact O-N 3.23Å; L960-I963 PolarHBondContact O-N 3.03Å; K961-I963 PolarHBondContact O-N 3.18Å; I963-S967 WeakPolarHBondContact O-CB 3.19Å; I963-S967 PolarHBondContact O-N 2.82Å; I963-S967 PolarHBondContact O-OG 3.26Å
964L93.7Very high91.1Very high0 Ų040.6 Ų40.60%021%0.212CC..Hα-helixtrans-67.2-46.2175.7-69.3172.9000112I854 M868 I869 L960 K961 E962 N966 S967 G968 F969 L974I854-L964 HydrophobicContact CG2-CD2 4.35Å; M868-L964 HydrophobicContact CB-CD1 4.43Å; M868-L964 HydrophobicContact CE-CD1 3.52Å; M868-L964 HydrophobicContact CE-CG 4.03Å; I869-L964 HydrophobicContact CG1-CD2 4.49Å; L960-L964 PolarHBondContact O-N 3.08Å; K961-L964 PolarHBondContact O-N 3.05Å; E962-L964 VanDerWaalsContact C-N 3.32Å; E962-L964 PolarHBondContact O-N 3.3Å; L964-N966 VanDerWaalsContact C-N 3.34Å; L964-N966 PolarHBondContact O-N 2.85Å; L964-S967 CarbonylContact O-C 3.45Å; L964-S967 WeakPolarHBondContact O-CA 3.4Å; L964-S967 WeakPolarHBondContact O-CB 3.25Å; L964-S967 PolarHBondContact O-N 2.92Å; L964-G968 PolarHBondContact O-N 2.88Å; L964-F969 HydrophobicContact CB-CB 4.32Å; L964-F969 HydrophobicContact CB-CD2 4.22Å; L964-F969 HydrophobicContact CB-CG 4.41Å; L964-F969 HydrophobicContact CD2-CD2 4.05Å; L964-F969 HydrophobicContact CD2-CE2 4.06Å; L964-F969 WeakPolarHBondContact O-CB 3.35Å; L964-F969 WeakPolarHBondContact O-CD2 3.41Å; L964-F969 PolarHBondContact O-N 2.84Å; L964-F969 VanDerWaalsContact O-N 3.11Å; L964-L974 HydrophobicContact CB-CD1 3.95Å; L964-L974 HydrophobicContact CD1-CD1 4.39Å; L964-L974 HydrophobicContact CD1-CD2 3.89Å
965I93.6Very high91.3Very high47 Ų4741.2 Ų41.224%0.24122%0.221CC..Hα-helixtrans-60.4-45.1177.4-66.5161.1000110.6K961 E962 S967 G968 E971 L974K961-I965 VanDerWaalsContact O-CG1 3.3Å; K961-I965 WeakPolarHBondContact O-CG1 3.31Å; K961-I965 PolarHBondContact O-N 3.49Å; E962-I965 PolarHBondContact O-N 3.18Å; I965-S967 PolarHBondContact O-N 2.97Å; I965-G968 WeakPolarHBondContact O-CA 3.42Å; I965-G968 PolarHBondContact O-N 3.32Å; I965-E971 HydrophobicContact CD1-CG 4.06Å; I965-E971 HydrophobicContact CG1-CG 4.18Å; I965-E971 HydrophobicContact CG2-CG 4.21Å; I965-L974 HydrophobicContact CD1-CD1 4.21Å; I965-L974 HydrophobicContact CG1-CD1 3.7Å
966N88.8Confident91.6Very high89 Ų8942.4 Ų42.448%0.47623%0.233SC..Hα-helixtrans-66.7-22.5175-75.4-60.3000113.3N28 E962 L964N28-N966 PolarHBondContact OD1-OD1 3.26Å; E962-N966 VanDerWaalsContact O-CB 3.27Å; E962-N966 WeakPolarHBondContact O-CB 3.48Å; E962-N966 PolarHBondContact O-N 3.06Å; E962-N966 PolarHBondContact O-ND2 3.32Å; L964-N966 VanDerWaalsContact C-N 3.34Å; L964-N966 PolarHBondContact O-N 2.85Å
967S90.4Very high91.9Very high35 Ų3544.7 Ų44.725%0.24524%0.243CC..THydrogen-bonded Turntrans-80.9-1.8170.4-56.90000113I963 L964 I965I963-S967 WeakPolarHBondContact O-CB 3.19Å; I963-S967 PolarHBondContact O-N 2.82Å; I963-S967 PolarHBondContact O-OG 3.26Å; L964-S967 CarbonylContact O-C 3.45Å; L964-S967 WeakPolarHBondContact O-CA 3.4Å; L964-S967 WeakPolarHBondContact O-CB 3.25Å; L964-S967 PolarHBondContact O-N 2.92Å; I965-S967 PolarHBondContact O-N 2.97Å
968G91.7Very high91.8Very high39 Ų3950.1 Ų50.140%0.40228%0.277SS..THydrogen-bonded Turntrans102.53174.600000115.6L964 I965L964-G968 PolarHBondContact O-N 2.88Å; I965-G968 WeakPolarHBondContact O-CA 3.42Å; I965-G968 PolarHBondContact O-N 3.32Å
969F95.4Very high91.9Very high4 Ų448.6 Ų48.62%0.01827%0.267CS..  trans-69.5137.7177.9-73.5-96.7000111I854 I869 C872 L964 V1114 P1118 I1121I854-F969 HydrophobicContact CD1-CE2 4.1Å; I854-F969 HydrophobicContact CD1-CZ 4.48Å; I869-F969 HydrophobicContact CB-CZ 4.35Å; I869-F969 HydrophobicContact CG1-CZ 3.89Å; I869-F969 HydrophobicContact CG2-CE1 4.14Å; I869-F969 HydrophobicContact CG2-CZ 3.93Å; C872-F969 HydrophobicContact CB-CD1 3.55Å; C872-F969 HydrophobicContact CB-CE1 3.85Å; L964-F969 HydrophobicContact CB-CB 4.32Å; L964-F969 HydrophobicContact CB-CD2 4.22Å; L964-F969 HydrophobicContact CB-CG 4.41Å; L964-F969 HydrophobicContact CD2-CD2 4.05Å; L964-F969 HydrophobicContact CD2-CE2 4.06Å; L964-F969 WeakPolarHBondContact O-CB 3.35Å; L964-F969 WeakPolarHBondContact O-CD2 3.41Å; L964-F969 PolarHBondContact O-N 2.84Å; L964-F969 VanDerWaalsContact O-N 3.11Å; F969-V1114 HydrophobicContact CE1-CG1 3.88Å; F969-V1114 HydrophobicContact CZ-CG1 4.36Å; F969-P1118 HydrophobicContact CD1-CB 4.02Å; F969-P1118 HydrophobicContact CD2-CB 3.81Å; F969-P1118 HydrophobicContact CD2-CG 4.17Å; F969-P1118 HydrophobicContact CE1-CB 4.11Å; F969-P1118 HydrophobicContact CE2-CB 3.91Å; F969-P1118 HydrophobicContact CE2-CG 3.9Å; F969-P1118 HydrophobicContact CG-CB 3.87Å; F969-P1118 HydrophobicContact CZ-CB 4.05Å; F969-P1118 HydrophobicContact CZ-CG 4.19Å; F969-I1121 HydrophobicContact CD1-CD1 3.57Å; F969-I1121 HydrophobicContact CE1-CD1 3.79Å
970P94.3Very high92Very high19 Ų1949.7 Ų49.712%0.12328%0.277CS..  trans-60.2142176.9-23.933.7000112.8D972 C973 P1118 S1122P970-D972 PolarHBondContact O-N 3.22Å; P970-C973 PolarHBondContact O-N 3.17Å; P970-C973 PolarHBondContact O-SG 3.44Å; P970-P1118 WeakPolarHBondContact CD-O 3.42Å; P970-S1122 WeakPolarHBondContact CG-OG 3.3Å
971E93.7Very high91.7Very high102 Ų10251.1 Ų51.148%0.47729%0.285SS..G310 helixtrans-61.4-32.7177.1-69163.7-124.700111.9K29 I965 C973 L974 L975K29-E971 IonicContact NZ-OE1 2.57Å; K29-E971 PolarHBondContact NZ-OE1 2.79Å; I965-E971 HydrophobicContact CD1-CG 4.06Å; I965-E971 HydrophobicContact CG1-CG 4.18Å; I965-E971 HydrophobicContact CG2-CG 4.21Å; E971-C973 VanDerWaalsContact C-N 3.29Å; E971-C973 PolarHBondContact O-N 3.35Å; E971-L974 CarbonylContact O-C 3.59Å; E971-L974 WeakPolarHBondContact O-CA 3.42Å; E971-L974 PolarHBondContact O-N 3.35Å; E971-L975 PolarHBondContact O-N 3.39Å
972D93Very high91.3Very high93 Ų9353.2 Ų53.250%0.49730%0.301SS..G310 helixtrans-59.5-33.8-178.3-59.2-37.2000113.7Y875 P970 L974 L975Y875-D972 HydrophobicContact CE1-CB 4.1Å; P970-D972 PolarHBondContact O-N 3.22Å; D972-L974 PolarHBondContact O-N 3.05Å; D972-L975 HydrophobicContact CB-CD1 4.42Å; D972-L975 WeakPolarHBondContact O-CG 3.18Å; D972-L975 PolarHBondContact O-N 3.04Å
973C94.6Very high91Very high0 Ų048.9 Ų48.90%028%0.282CS..G310 helixtrans-77.1-7.6178.976.80000113.8C872 Y875 G877 P970 E971 I1121C872-C973 HydrophobicContact CB-CB 4.36Å; C872-C973 VanDerWaalsContact CB-SG 3.52Å; C872-C973 VanDerWaalsContact O-CB 3.27Å; C872-C973 WeakPolarHBondContact O-CB 3.47Å; Y875-C973 HydrophobicContact CD1-CB 3.86Å; Y875-C973 HydrophobicContact CE1-CB 4.03Å; Y875-C973 HydrophobicContact CG-CB 4.15Å; G877-C973 PolarHBondContact N-O 2.57Å; P970-C973 PolarHBondContact O-N 3.17Å; P970-C973 PolarHBondContact O-SG 3.44Å; E971-C973 VanDerWaalsContact C-N 3.29Å; E971-C973 PolarHBondContact O-N 3.35Å; C973-I1121 HydrophobicContact CB-CG2 4.48Å
974L94.9Very high90.8Very high3 Ų353 Ų532%0.01631%0.311CS..G310 helixtrans-116.315.8-179.6-66166.5000111.9K961 L964 I965 E971 D972K961-L974 WeakPolarHBondContact CE-O 3.39Å; K961-L974 HydrophobicContact CG-CD2 4.32Å; K961-L974 PolarHBondContact NZ-O 3.31Å; L964-L974 HydrophobicContact CB-CD1 3.95Å; L964-L974 HydrophobicContact CD1-CD1 4.39Å; L964-L974 HydrophobicContact CD1-CD2 3.89Å; I965-L974 HydrophobicContact CD1-CD1 4.21Å; I965-L974 HydrophobicContact CG1-CD1 3.7Å; E971-L974 CarbonylContact O-C 3.59Å; E971-L974 WeakPolarHBondContact O-CA 3.42Å; E971-L974 PolarHBondContact O-N 3.35Å; D972-L974 PolarHBondContact O-N 3.05Å
975L92.4Very high90.8Very high99 Ų9954.1 Ų54.152%0.51832%0.316SS..  trans-67.9140.7172.9-69.3172000111.6D878 E971 D972 Q977D878-L975 WeakPolarHBondContact CB-O 3.48Å; E971-L975 PolarHBondContact O-N 3.39Å; D972-L975 HydrophobicContact CB-CD1 4.42Å; D972-L975 WeakPolarHBondContact O-CG 3.18Å; D972-L975 PolarHBondContact O-N 3.04Å; L975-Q977 PolarHBondContact O-N 3.25Å
976T90Very high90.7Very high91 Ų9154.8 Ų54.856%0.55832%0.321SS*.  trans-64.7130.3176.7-51.20000110.3
977Q89.8Confident91Very high49 Ų4952.9 Ų52.923%0.22931%0.311CS..  trans-121.2147.8176.6-70.9174.728.500110.6Y875 Q923 L975 F979 N987Y875-Q977 PolarHBondContact O-NE2 3.4Å; Q923-Q977 PolarHBondContact NE2-O 3.01Å; L975-Q977 PolarHBondContact O-N 3.25Å; Q977-F979 HydrophobicContact CB-CE1 4.31Å; Q977-F979 HydrophobicContact CB-CE2 4.07Å; Q977-F979 HydrophobicContact CB-CZ 3.75Å; Q977-N987 PolarHBondContact OE1-ND2 3.3Å
978V89.2Confident91.3Very high125 Ų12551.3 Ų51.376%0.75830%0.299SS*.  trans-91.5132.1171.7-177.20000108.3
979F92.3Very high91.5Very high13 Ų1349.6 Ų49.66%0.05728%0.281CS..  trans-116.4143.9-178.3-65.2-69.5000110.7A879 L919 Q977 D985 N987 L988A879-F979 HydrophobicContact CB-CD2 4.39Å; A879-F979 HydrophobicContact CB-CE2 3.4Å; A879-F979 VanDerWaalsContact CB-CE2 3.4Å; A879-F979 HydrophobicContact CB-CZ 3.66Å; L919-F979 HydrophobicContact CD2-CD2 3.73Å; L919-F979 HydrophobicContact CD2-CE2 4.23Å; L919-F979 HydrophobicContact CD2-CG 4.42Å; L919-F979 HydrophobicContact CG-CD2 4.32Å; Q977-F979 HydrophobicContact CB-CE1 4.31Å; Q977-F979 HydrophobicContact CB-CE2 4.07Å; Q977-F979 HydrophobicContact CB-CZ 3.75Å; F979-D985 WeakPolarHBondContact CA-OD2 3.36Å; F979-N987 HydrophobicContact CD1-CB 4.4Å; F979-N987 HydrophobicContact CE1-CB 3.72Å; F979-L988 HydrophobicContact CB-CB 4.46Å; F979-L988 HydrophobicContact CB-CD1 4.2Å; F979-L988 HydrophobicContact CB-CD2 4.39Å; F979-L988 HydrophobicContact CD1-CB 3.99Å; F979-L988 HydrophobicContact CD1-CD1 4.45Å; F979-L988 HydrophobicContact CG-CB 4.48Å; F979-L988 HydrophobicContact CG-CD1 4.25Å
980T88.2Confident91.6Very high71 Ų7149.4 Ų49.444%0.43628%0.28SS..  trans-100.6106.2178.2-46.10000110.3T982 D985 L988T980-T982 WeakPolarHBondContact CG2-O 3.42Å; T980-T982 PolarHBondContact O-N 3.43Å; T980-D985 PolarHBondContact N-OD2 3.23Å; T980-L988 WeakPolarHBondContact O-CD2 3.12Å
981N86.3Confident91.7Very high31 Ų3148.6 Ų48.617%0.16628%0.275CS..SBendtrans-73.1-5.217766.11.5000113.7F907 G909 N910 R911 V916 S920F907-N981 PolarHBondContact O-ND2 3.49Å; G909-N981 WeakPolarHBondContact CA-O 3.47Å; N910-N981 PolarHBondContact N-O 2.95Å; N910-N981 PolarHBondContact OD1-O 3.11Å; N910-N981 VanDerWaalsContact OD1-O 3.09Å; R911-N981 WeakPolarHBondContact CG-O 3.48Å; V916-N981 HydrophobicContact CG1-CB 3.94Å; S920-N981 PolarHBondContact OG-ND2 3.33Å
982T85.9Confident91.8Very high83 Ų8344 Ų4451%0.50925%0.254SS..SBendtrans-119.8116.1175.154.40000111.7N910 T980N910-T982 VanDerWaalsContact OD1-CA 3.31Å; N910-T982 WeakPolarHBondContact OD1-CA 3.26Å; T980-T982 WeakPolarHBondContact CG2-O 3.42Å; T980-T982 PolarHBondContact O-N 3.43Å
983G82.6Confident92Very high5 Ų539.6 Ų39.65%0.05223%0.23CC..SBendtrans90.2-169-179.700000113.9N910 R911N910-G983 PolarHBondContact OD1-N 2.89Å; R911-G983 VanDerWaalsContact CZ-O 3.25Å; R911-G983 PolarHBondContact NE-O 3.04Å; R911-G983 PolarHBondContact NH2-O 2.73Å
984P86.4Confident92.1Very high115 Ų11539.6 Ų39.675%0.74723%0.23SC*.  trans-75.1133.2-174.530.6-34.1000111.9
985D92.9Very high92.2Very high23 Ų2339.6 Ų39.612%0.12323%0.23CC..  trans-152.7106.3174.4179.5-29.9000107.5F979 T980 N987 L988 D989F979-D985 WeakPolarHBondContact CA-OD2 3.36Å; T980-D985 PolarHBondContact N-OD2 3.23Å; D985-N987 VanDerWaalsContact C-N 3.3Å; D985-N987 PolarHBondContact O-N 2.89Å; D985-N987 PolarHBondContact OD1-N 3.21Å; D985-L988 HydrophobicContact CB-CB 3.9Å; D985-L988 PolarHBondContact O-N 2.94Å; D985-L988 PolarHBondContact OD1-N 3.23Å; D985-D989 WeakPolarHBondContact O-CB 3.49Å; D985-D989 PolarHBondContact O-N 3.16Å
986N92.6Very high92.3Very high62 Ų6234.9 Ų34.933%0.33221%0.205SC..Hα-helixtrans-65.6-32-172.8-59.3-32000112.7V990 R1140N986-V990 WeakPolarHBondContact O-CG2 3.42Å; N986-V990 PolarHBondContact O-N 3.47Å; N986-V990 VanDerWaalsContact O-N 3.13Å; N986-R1140 PolarHBondContact ND2-NH2 3.44Å; N986-R1140 VanDerWaalsContact ND2-NH2 3.1Å; N986-R1140 PolarHBondContact OD1-NE 3.49Å; N986-R1140 PolarHBondContact OD1-NH2 2.94Å
987N95.1Very high92.6Very high49 Ų4931.3 Ų31.326%0.26218%0.182SC..Hα-helixtrans-79.2-37.2-178-73.20.4000109.7V876 Q977 F979 D985 D989 V990 V991 R1136V876-N987 HydrophobicContact CG1-CB 3.85Å; Q977-N987 PolarHBondContact OE1-ND2 3.3Å; F979-N987 HydrophobicContact CD1-CB 4.4Å; F979-N987 HydrophobicContact CE1-CB 3.72Å; D985-N987 VanDerWaalsContact C-N 3.3Å; D985-N987 PolarHBondContact O-N 2.89Å; D985-N987 PolarHBondContact OD1-N 3.21Å; N987-D989 VanDerWaalsContact C-N 3.32Å; N987-V990 PolarHBondContact O-N 3.08Å; N987-V991 WeakPolarHBondContact O-CG2 3.49Å; N987-V991 PolarHBondContact O-N 2.97Å; N987-R1136 PolarHBondContact OD1-NH1 3.35Å
988L95.6Very high92.7Very high1 Ų129 Ų291%0.00517%0.171CC..Hα-helixtrans-64.2-37.2170.1-170.860.3000112.2R911 V916 L919 F979 T980 D985 V990 V991 I992R911-L988 HydrophobicContact CG-CD2 4.05Å; V916-L988 HydrophobicContact CG1-CD1 4.46Å; V916-L988 HydrophobicContact CG1-CD2 4.16Å; V916-L988 HydrophobicContact CG2-CD1 4.13Å; L919-L988 HydrophobicContact CD2-CD1 4.04Å; F979-L988 HydrophobicContact CB-CB 4.46Å; F979-L988 HydrophobicContact CB-CD1 4.2Å; F979-L988 HydrophobicContact CB-CD2 4.39Å; F979-L988 HydrophobicContact CD1-CB 3.99Å; F979-L988 HydrophobicContact CD1-CD1 4.45Å; F979-L988 HydrophobicContact CG-CB 4.48Å; F979-L988 HydrophobicContact CG-CD1 4.25Å; T980-L988 WeakPolarHBondContact O-CD2 3.12Å; D985-L988 HydrophobicContact CB-CB 3.9Å; D985-L988 PolarHBondContact O-N 2.94Å; D985-L988 PolarHBondContact OD1-N 3.23Å; L988-V990 VanDerWaalsContact C-N 3.35Å; L988-V991 WeakPolarHBondContact O-CB 3.46Å; L988-V991 PolarHBondContact O-N 3.34Å; L988-I992 WeakPolarHBondContact O-CG1 3.43Å; L988-I992 PolarHBondContact O-N 2.83Å
989D96.2Very high92.9Very high4 Ų423.4 Ų23.42%0.02114%0.137CC..Hα-helixtrans-61.3-42.7174.7-69-20.3000111.3R911 D985 N987 I992 S993 Q1066 P1141R911-D989 IonicContact CZ-OD1 3.95Å; R911-D989 IonicContact NH1-OD1 2.78Å; R911-D989 PolarHBondContact NH1-OD1 3.37Å; R911-D989 IonicContact NH2-OD1 3.21Å; R911-D989 PolarHBondContact NH2-OD1 2.73Å; D985-D989 WeakPolarHBondContact O-CB 3.49Å; D985-D989 PolarHBondContact O-N 3.16Å; N987-D989 VanDerWaalsContact C-N 3.32Å; D989-I992 PolarHBondContact O-N 3.37Å; D989-S993 PolarHBondContact O-N 3.06Å; D989-S993 PolarHBondContact O-OG 3.1Å; D989-Q1066 PolarHBondContact O-NE2 2.92Å; D989-Q1066 VanDerWaalsContact O-NE2 3.13Å; D989-P1141 VanDerWaalsContact CG-CD 3.48Å; D989-P1141 WeakPolarHBondContact OD1-CD 3.4Å; D989-P1141 WeakPolarHBondContact OD2-CD 3.15Å
990V97.1Very high92.8Very high0 Ų024.2 Ų24.20%014%0.14CC..Hα-helixtrans-65.5-39.9172.7171.80000111.9F874 V876 N986 N987 L988 I992 S993 L994 R1136F874-V990 HydrophobicContact CB-CG1 3.86Å; F874-V990 HydrophobicContact CD1-CG1 3.88Å; F874-V990 HydrophobicContact CD2-CG1 4.1Å; F874-V990 HydrophobicContact CE1-CG1 4.48Å; F874-V990 HydrophobicContact CG-CG1 3.68Å; V876-V990 HydrophobicContact CG2-CG1 4.38Å; N986-V990 WeakPolarHBondContact O-CG2 3.42Å; N986-V990 PolarHBondContact O-N 3.47Å; N986-V990 VanDerWaalsContact O-N 3.13Å; N987-V990 PolarHBondContact O-N 3.08Å; L988-V990 VanDerWaalsContact C-N 3.35Å; V990-I992 VanDerWaalsContact C-N 3.26Å; V990-I992 PolarHBondContact O-N 2.89Å; V990-S993 WeakPolarHBondContact O-CB 3.49Å; V990-S993 PolarHBondContact O-N 3.32Å; V990-S993 VanDerWaalsContact O-N 3.1Å; V990-L994 HydrophobicContact CG1-CD1 4.19Å; V990-L994 HydrophobicContact CG1-CG 4.24Å; V990-L994 WeakPolarHBondContact O-CG 3.3Å; V990-L994 PolarHBondContact O-N 3.46Å; V990-R1136 HydrophobicContact CG2-CB 4.13Å; V990-R1136 HydrophobicContact CG2-CG 3.9Å
991V97.1Very high92.9Very high1 Ų122.9 Ų22.91%0.00613%0.133CC..Hα-helixtrans-58.6-39.7174.6164.90000111.2V876 A879 I880 I883 N987 L988 L995V876-V991 HydrophobicContact CB-CG2 3.82Å; V876-V991 HydrophobicContact CG1-CG2 4.27Å; V876-V991 HydrophobicContact CG2-CG2 3.91Å; A879-V991 HydrophobicContact CB-CG2 3.79Å; I880-V991 HydrophobicContact CD1-CB 4.26Å; I880-V991 HydrophobicContact CD1-CG1 3.96Å; I880-V991 HydrophobicContact CD1-CG2 4.09Å; I883-V991 HydrophobicContact CD1-CG1 3.52Å; N987-V991 WeakPolarHBondContact O-CG2 3.49Å; N987-V991 PolarHBondContact O-N 2.97Å; L988-V991 WeakPolarHBondContact O-CB 3.46Å; L988-V991 PolarHBondContact O-N 3.34Å; V991-L995 VanDerWaalsContact O-CB 3.27Å; V991-L995 WeakPolarHBondContact O-CB 3.4Å; V991-L995 PolarHBondContact O-N 3.02Å
992I96.6Very high93.2Very high7 Ų722.2 Ų22.24%0.03613%0.129CC..Hα-helixtrans-67.1-40.8173.9-67.7167.3000111.4V916 L988 D989 V990 L995 A996 T1060 V1062V916-I992 HydrophobicContact CG2-CD1 4.1Å; V916-I992 HydrophobicContact CG2-CG1 4.18Å; L988-I992 WeakPolarHBondContact O-CG1 3.43Å; L988-I992 PolarHBondContact O-N 2.83Å; D989-I992 PolarHBondContact O-N 3.37Å; V990-I992 VanDerWaalsContact C-N 3.26Å; V990-I992 PolarHBondContact O-N 2.89Å; I992-L995 PolarHBondContact O-N 3.33Å; I992-A996 PolarHBondContact O-N 3.14Å; I992-T1060 HydrophobicContact CG1-CG2 4.33Å; I992-T1060 HydrophobicContact CG2-CG2 3.79Å; I992-V1062 HydrophobicContact CG2-CG1 3.92Å
993S96.6Very high93.6Very high0 Ų018.4 Ų18.40%011%0.106CC..Hα-helixtrans-60.1-45.8175-56.60000112.6D989 V990 A996 F997 Q1066 F1070 S1139D989-S993 PolarHBondContact O-N 3.06Å; D989-S993 PolarHBondContact O-OG 3.1Å; V990-S993 WeakPolarHBondContact O-CB 3.49Å; V990-S993 PolarHBondContact O-N 3.32Å; V990-S993 VanDerWaalsContact O-N 3.1Å; S993-A996 WeakPolarHBondContact O-CB 3.19Å; S993-A996 PolarHBondContact O-N 3.29Å; S993-F997 PolarHBondContact O-N 2.84Å; S993-Q1066 WeakPolarHBondContact OG-CG 3.31Å; S993-Q1066 PolarHBondContact OG-NE2 2.92Å; S993-F1070 WeakPolarHBondContact O-CB 3.4Å; S993-S1139 WeakPolarHBondContact OG-CB 3.48Å; S993-S1139 PolarHBondContact OG-OG 3Å
994L97.2Very high94.1Very high0 Ų018.1 Ų18.10%010%0.103CC..Hα-helixtrans-69-35.4177.7-65.4-177.5000112.2M867 M870 F874 V876 I880 V990 A996 F997 G998 F1070M867-L994 HydrophobicContact CG-CB 4.12Å; M867-L994 WeakPolarHBondContact CG-O 3.4Å; M870-L994 HydrophobicContact CB-CD1 4.21Å; M870-L994 HydrophobicContact CB-CD2 3.63Å; M870-L994 HydrophobicContact CG-CD2 4.42Å; M870-L994 HydrophobicContact SD-CD2 4.02Å; F874-L994 HydrophobicContact CD2-CD1 4.07Å; F874-L994 HydrophobicContact CD2-CD2 4.09Å; F874-L994 HydrophobicContact CD2-CG 4.47Å; F874-L994 HydrophobicContact CE2-CD2 4.16Å; V876-L994 HydrophobicContact CG2-CD1 4.08Å; I880-L994 HydrophobicContact CD1-CB 4.08Å; I880-L994 HydrophobicContact CD1-CD1 4.2Å; I880-L994 HydrophobicContact CG1-CD1 4.35Å; V990-L994 HydrophobicContact CG1-CD1 4.19Å; V990-L994 HydrophobicContact CG1-CG 4.24Å; V990-L994 WeakPolarHBondContact O-CG 3.3Å; V990-L994 PolarHBondContact O-N 3.46Å; L994-A996 VanDerWaalsContact C-N 3.28Å; L994-A996 PolarHBondContact O-N 3.3Å; L994-F997 WeakPolarHBondContact O-CB 3.49Å; L994-F997 PolarHBondContact O-N 3.36Å; L994-G998 PolarHBondContact O-N 2.86Å; L994-F1070 HydrophobicContact CD2-CE1 4.15Å; L994-F1070 HydrophobicContact CD2-CE2 4.35Å; L994-F1070 HydrophobicContact CD2-CZ 3.92Å
995L95.3Very high94.5Very high2 Ų215 Ų151%0.018%0.077CC..Hα-helixtrans-62.8-34.6172.8177.664.6000112.3M867 I883 H915 V991 I992 F997 G998 V999 T1060M867-L995 HydrophobicContact SD-CD1 4.38Å; I883-L995 HydrophobicContact CG2-CD1 4.19Å; H915-L995 HydrophobicContact CB-CD2 3.55Å; H915-L995 WeakPolarHBondContact ND1-CD2 3.36Å; V991-L995 VanDerWaalsContact O-CB 3.27Å; V991-L995 WeakPolarHBondContact O-CB 3.4Å; V991-L995 PolarHBondContact O-N 3.02Å; I992-L995 PolarHBondContact O-N 3.33Å; L995-F997 VanDerWaalsContact C-N 3.32Å; L995-F997 PolarHBondContact O-N 3.46Å; L995-G998 PolarHBondContact O-N 3.19Å; L995-G998 VanDerWaalsContact O-N 3.1Å; L995-V999 HydrophobicContact CD1-CG1 3.97Å; L995-V999 PolarHBondContact O-N 3.43Å; L995-T1060 HydrophobicContact CD2-CG2 4.04Å; L995-T1060 WeakPolarHBondContact CD2-OG1 3.34Å
996A95.8Very high94.5Very high0 Ų014.8 Ų14.80%08%0.075CC..Hα-helixtrans-60.6-41.417400000111.8I992 S993 L994 Y1000 V1044 V1062 A1071I992-A996 PolarHBondContact O-N 3.14Å; S993-A996 WeakPolarHBondContact O-CB 3.19Å; S993-A996 PolarHBondContact O-N 3.29Å; L994-A996 VanDerWaalsContact C-N 3.28Å; L994-A996 PolarHBondContact O-N 3.3Å; A996-Y1000 WeakPolarHBondContact O-CB 3.16Å; A996-Y1000 PolarHBondContact O-N 2.94Å; A996-V1044 HydrophobicContact CB-CG1 3.94Å; A996-V1044 HydrophobicContact CB-CG2 4.48Å; A996-V1062 HydrophobicContact CB-CG1 4.33Å; A996-A1071 HydrophobicContact CB-CB 3.99Å
997F95.2Very high94.3Very high16 Ų1616 Ų167%0.078%0.077CC..Hα-helixtrans-63.1-45.2168.8168.7-91.2000111.9L839 R863 K866 M867 M870 S993 L994 L995 V999 Y1000 F1070L839-F997 HydrophobicContact CD2-CZ 4.22Å; R863-F997 WeakPolarHBondContact CD-O 3.16Å; R863-F997 HydrophobicContact CG-CE1 4.19Å; R863-F997 HydrophobicContact CG-CZ 4.4Å; K866-F997 HydrophobicContact CB-CE1 3.94Å; K866-F997 HydrophobicContact CB-CZ 4.13Å; K866-F997 HydrophobicContact CD-CE1 4.49Å; K866-F997 HydrophobicContact CD-CZ 3.89Å; K866-F997 HydrophobicContact CG-CE1 4.14Å; K866-F997 HydrophobicContact CG-CZ 4.03Å; M867-F997 HydrophobicContact CB-CD1 4.17Å; M867-F997 HydrophobicContact CB-CE1 4.49Å; M870-F997 HydrophobicContact SD-CD1 4.23Å; M870-F997 HydrophobicContact SD-CG 4.4Å; S993-F997 PolarHBondContact O-N 2.84Å; L994-F997 WeakPolarHBondContact O-CB 3.49Å; L994-F997 PolarHBondContact O-N 3.36Å; L995-F997 VanDerWaalsContact C-N 3.32Å; L995-F997 PolarHBondContact O-N 3.46Å; F997-V999 VanDerWaalsContact C-N 3.29Å; F997-V999 PolarHBondContact O-N 2.65Å; F997-Y1000 PolarHBondContact O-N 3.15Å; F997-F1070 VanDerWaalsContact CA-O 3.31Å; F997-F1070 WeakPolarHBondContact CA-O 3.3Å; F997-F1070 HydrophobicContact CB-CB 3.97Å; F997-F1070 HydrophobicContact CB-CD1 4.09Å; F997-F1070 HydrophobicContact CB-CG 4.34Å
998G93.1Very high93.9Very high1 Ų116.4 Ų16.41%0.018%0.078CC..Hα-helixtrans-59.2-32-175.800000115R863 F864 L994 L995R863-G998 WeakPolarHBondContact CD-O 3.36Å; R863-G998 WeakPolarHBondContact CG-O 3.08Å; F864-G998 WeakPolarHBondContact CE1-O 3.37Å; L994-G998 PolarHBondContact O-N 2.86Å; L995-G998 PolarHBondContact O-N 3.19Å; L995-G998 VanDerWaalsContact O-N 3.1Å
999V92.8Very high93.5Very high7 Ų719.9 Ų19.94%0.0429%0.093CC..Hα-helixtrans-110.40.5179.8-50.60000114.5F864 L995 F997 N1002 V1044 F1045F864-V999 HydrophobicContact CE1-CG1 3.84Å; F864-V999 HydrophobicContact CZ-CG1 4.01Å; L995-V999 HydrophobicContact CD1-CG1 3.97Å; L995-V999 PolarHBondContact O-N 3.43Å; F997-V999 VanDerWaalsContact C-N 3.29Å; F997-V999 PolarHBondContact O-N 2.65Å; V999-N1002 VanDerWaalsContact O-CB 3.22Å; V999-N1002 WeakPolarHBondContact O-CB 3.49Å; V999-N1002 PolarHBondContact O-N 3.36Å; V999-V1044 HydrophobicContact CG2-CB 3.6Å; V999-V1044 HydrophobicContact CG2-CG2 3.83Å; V999-F1045 WeakPolarHBondContact CB-O 3.37Å
1000Y91.1Very high93.2Very high31 Ų3122.1 Ų22.112%0.12210%0.101CC..THydrogen-bonded Turntrans-57.3133.6174.1-179.8-91.2000110.7R863 A996 F997 V1003 A1071 K1073 D1085R863-Y1000 VanDerWaalsContact CD-O 3.22Å; R863-Y1000 WeakPolarHBondContact CD-O 3.42Å; R863-Y1000 PolarHBondContact NE-O 3.39Å; R863-Y1000 PolarHBondContact NH1-O 3.1Å; A996-Y1000 WeakPolarHBondContact O-CB 3.16Å; A996-Y1000 PolarHBondContact O-N 2.94Å; F997-Y1000 PolarHBondContact O-N 3.15Å; Y1000-V1003 HydrophobicContact CD2-CG2 4.19Å; Y1000-A1071 VanDerWaalsContact CD2-CA 3.44Å; Y1000-A1071 HydrophobicContact CD2-CB 3.79Å; Y1000-A1071 VanDerWaalsContact CE2-C 3.43Å; Y1000-A1071 WeakPolarHBondContact CE2-O 3.26Å; Y1000-A1071 HydrophobicContact CG-CB 4.48Å; Y1000-K1073 HydrophobicContact CE1-CB 4.34Å; Y1000-K1073 WeakPolarHBondContact OH-CB 3.48Å; Y1000-K1073 PolarHBondContact OH-N 3.23Å; Y1000-D1085 VanDerWaalsContact CE2-OD2 3.29Å; Y1000-D1085 WeakPolarHBondContact CE2-OD2 3.38Å; Y1000-D1085 PolarHBondContact OH-OD2 3.31Å
1001P89.4Confident92.9Very high42 Ų4225.8 Ų25.827%0.27312%0.117SC..THydrogen-bonded Turncis-95.717.920.738.4-38.2000116.2V1003 T1015P1001-V1003 VanDerWaalsContact C-N 3.28Å; P1001-V1003 PolarHBondContact O-N 2.73Å; P1001-T1015 PolarHBondContact O-OG1 3.44Å; P1001-T1015 VanDerWaalsContact O-OG1 3.04Å
1002N92.6Very high92.6Very high18 Ų1825.8 Ų25.810%0.09612%0.117CC..  trans-77.674.3-175.8-64.2-23.1000112.3N744 V999 V1044 F1045 G1046N744-N1002 PolarHBondContact ND2-OD1 2.91Å; N744-N1002 VanDerWaalsContact ND2-OD1 3.14Å; V999-N1002 VanDerWaalsContact O-CB 3.22Å; V999-N1002 WeakPolarHBondContact O-CB 3.49Å; V999-N1002 PolarHBondContact O-N 3.36Å; N1002-V1044 CarbonylContact O-C 3.55Å; N1002-V1044 WeakPolarHBondContact O-CA 3.37Å; N1002-F1045 VanDerWaalsContact C-CE1 3.42Å; N1002-F1045 HydrophobicContact CB-CD1 4.03Å; N1002-F1045 HydrophobicContact CB-CD2 3.8Å; N1002-F1045 HydrophobicContact CB-CE1 3.86Å; N1002-F1045 HydrophobicContact CB-CE2 3.6Å; N1002-F1045 HydrophobicContact CB-CG 4Å; N1002-F1045 HydrophobicContact CB-CZ 3.63Å; N1002-F1045 WeakPolarHBondContact CB-O 3.44Å; N1002-F1045 PolarHBondContact ND2-O 2.86Å; N1002-F1045 VanDerWaalsContact O-CD1 3.25Å; N1002-F1045 WeakPolarHBondContact O-CD1 3.44Å; N1002-F1045 PolarHBondContact O-N 2.83Å; N1002-G1046 PolarHBondContact ND2-O 3.05Å; N1002-G1046 VanDerWaalsContact ND2-O 3.08Å
1003V93.8Very high92.4Very high2 Ų225.7 Ų25.71%0.01212%0.116CC..EExtended strand (participates in β ladder)trans-107.3144.1176.4-173.40000109.7Y1000 P1001 T1015 V1044 L1067 A1071 W1087 I1088Y1000-V1003 HydrophobicContact CD2-CG2 4.19Å; P1001-V1003 VanDerWaalsContact C-N 3.28Å; P1001-V1003 PolarHBondContact O-N 2.73Å; V1003-T1015 PolarHBondContact O-N 2.99Å; V1003-T1015 PolarHBondContact O-OG1 2.84Å; V1003-V1044 HydrophobicContact CG2-CG1 4.41Å; V1003-L1067 HydrophobicContact CG1-CD1 3.97Å; V1003-L1067 HydrophobicContact CG1-CD2 3.78Å; V1003-L1067 HydrophobicContact CG2-CD2 4.11Å; V1003-A1071 HydrophobicContact CG2-CB 4.28Å; V1003-W1087 HydrophobicContact CG1-CZ2 4.22Å; V1003-I1088 HydrophobicContact CG1-CD1 4.1Å
1004C94.4Very high92Very high0 Ų025.9 Ų25.90%012%0.117CC..EExtended strand (participates in β ladder)trans-146.4158.5172.467.20000113.5I1012 L1013 F1043 F1045 M1059C1004-I1012 HydrophobicContact CB-CB 4.27Å; C1004-I1012 HydrophobicContact CB-CD1 4.02Å; C1004-L1013 CarbonylContact C-O 3.57Å; C1004-L1013 WeakPolarHBondContact CA-O 3.02Å; C1004-L1013 WeakPolarHBondContact CB-O 3.47Å; C1004-F1043 PolarHBondContact N-O 2.81Å; C1004-F1043 PolarHBondContact O-N 2.75Å; C1004-F1045 HydrophobicContact CB-CD1 4.2Å; C1004-F1045 HydrophobicContact CB-CE1 4Å; C1004-M1059 VanDerWaalsContact SG-CE 3.57Å
1005Y93.9Very high91Very high49 Ų4927.5 Ų27.519%0.19213%0.128CC..EExtended strand (participates in β ladder)trans-112.1127178.9-179.6-85.7000109.9V271 I1012 L1013 P1041 F1042V271-Y1005 HydrophobicContact CG1-CD1 4.3Å; V271-Y1005 HydrophobicContact CG1-CD2 3.59Å; V271-Y1005 HydrophobicContact CG1-CE1 4.16Å; V271-Y1005 HydrophobicContact CG1-CE2 3.4Å; V271-Y1005 VanDerWaalsContact CG1-CE2 3.4Å; V271-Y1005 HydrophobicContact CG1-CG 4.04Å; V271-Y1005 HydrophobicContact CG2-CG 4.34Å; Y1005-I1012 CarbonylContact O-C 3.59Å; Y1005-I1012 WeakPolarHBondContact O-CA 3.35Å; Y1005-L1013 PolarHBondContact N-O 3.07Å; Y1005-L1013 PolarHBondContact O-N 3.23Å; Y1005-P1041 CarbonylContact C-O 3.59Å; Y1005-P1041 WeakPolarHBondContact CA-O 3.45Å; Y1005-P1041 HydrophobicContact CD2-CB 3.77Å; Y1005-P1041 HydrophobicContact CD2-CG 3.94Å; Y1005-P1041 HydrophobicContact CE1-CB 4.37Å; Y1005-P1041 HydrophobicContact CE2-CB 3.44Å; Y1005-P1041 VanDerWaalsContact CE2-CB 3.44Å; Y1005-P1041 HydrophobicContact CE2-CG 3.43Å; Y1005-P1041 VanDerWaalsContact CE2-CG 3.43Å; Y1005-P1041 HydrophobicContact CG-CB 4.37Å; Y1005-F1042 HydrophobicContact CD2-CD1 4.14Å; Y1005-F1042 AromaticContact CD2-CE1 3.79Å; Y1005-F1042 HydrophobicContact CD2-CE1 3.79Å; Y1005-F1042 HydrophobicContact CD2-CZ 4.36Å; Y1005-F1042 HydrophobicContact CE2-CE1 4.35Å; Y1005-F1042 HydrophobicContact CE2-CZ 4.49Å
1006H93.1Very high89.9Confident18 Ų1828.8 Ų28.88%0.08313%0.134CC..EExtended strand (participates in β ladder)trans-78126.8176.7179.1-107.2000111.7K1009 Y1038 P1041 F1043H1006-K1009 PolarHBondContact NE2-O 3.48Å; H1006-Y1038 HydrophobicContact CB-CD2 4.27Å; H1006-Y1038 HydrophobicContact CB-CE2 4.42Å; H1006-Y1038 AromaticContact CD2-CE2 3.74Å; H1006-Y1038 AromaticContact CE1-CD2 3.79Å; H1006-Y1038 AromaticContact CE1-CE2 3.65Å; H1006-Y1038 AromaticContact CG-CD2 3.73Å; H1006-Y1038 AromaticContact CG-CE2 3.67Å; H1006-Y1038 AromaticContact ND1-CD2 3.42Å; H1006-Y1038 WeakPolarHBondContact ND1-CD2 3.39Å; H1006-Y1038 AromaticContact ND1-CE2 3.63Å; H1006-Y1038 AromaticContact NE2-CE2 3.71Å; H1006-P1041 PolarHBondContact N-O 2.83Å; H1006-F1043 HydrophobicContact CB-CD2 4.3Å; H1006-F1043 HydrophobicContact CB-CE2 4.03Å
1007K88.8Confident88.9Confident88 Ų8829.1 Ų29.138%0.38314%0.137SC..EExtended strand (participates in β ladder)trans-102-65.9-177.5-172.6-179.6-171.1175.90112E269 K1011E269-K1007 WeakPolarHBondContact OE1-CE 3.36Å; E269-K1007 IonicContact OE1-NZ 3.2Å; E269-K1007 PolarHBondContact OE1-NZ 3.32Å; E269-K1007 IonicContact OE2-NZ 3.8Å; E269-K1007 PolarHBondContact OE2-NZ 2.92Å; K1007-K1011 HydrophobicContact CB-CB 4.47Å; K1007-K1011 PolarHBondContact N-O 2.82Å; K1007-K1011 VanDerWaalsContact N-O 3.12Å
1008E86.9Confident88.3Confident58 Ų5829.4 Ų29.427%0.27114%0.137SC..EExtended strand (participates in β ladder)trans-155.7148.5179.156.1154.4178.900110R1010 K1011 D1035E1008-R1010 PolarHBondContact O-N 3.21Å; E1008-K1011 HydrophobicContact CG-CB 4.34Å; E1008-K1011 HydrophobicContact CG-CD 4Å; E1008-K1011 HydrophobicContact CG-CG 4.45Å; E1008-K1011 WeakPolarHBondContact O-CB 3.47Å; E1008-K1011 PolarHBondContact O-N 3.04Å; E1008-K1011 WeakPolarHBondContact OE1-CD 3.24Å; E1008-K1011 VanDerWaalsContact OE1-CE 3.31Å; E1008-K1011 WeakPolarHBondContact OE1-CE 3.41Å; E1008-K1011 IonicContact OE1-NZ 3.37Å; E1008-K1011 PolarHBondContact OE1-NZ 2.69Å; E1008-D1035 WeakPolarHBondContact CB-OD1 3.23Å
1009K87.3Confident88Confident74 Ų7432 Ų3232%0.32215%0.151SC..THydrogen-bonded Turntrans48.6-107174.3-49.5-178179.568.30112.1H1006 P1030 S1033 D1035H1006-K1009 PolarHBondContact NE2-O 3.48Å; K1009-P1030 WeakPolarHBondContact O-CG 3.4Å; K1009-S1033 WeakPolarHBondContact CE-O 3.36Å; K1009-D1035 VanDerWaalsContact CE-OD2 3.31Å; K1009-D1035 WeakPolarHBondContact CE-OD2 3.4Å; K1009-D1035 WeakPolarHBondContact CG-OD1 3.42Å; K1009-D1035 PolarHBondContact N-OD1 3.49Å; K1009-D1035 IonicContact NZ-OD1 2.81Å; K1009-D1035 IonicContact NZ-OD2 2.75Å; K1009-D1035 PolarHBondContact NZ-OD2 3.39Å
1010R89.2Confident87.8Confident51 Ų5131.9 Ų31.919%0.19215%0.151CC..THydrogen-bonded Turntrans-103-9.2174.7-74.4-179.664.5-132.4-3.4114E1008 L1021 I1022E1008-R1010 PolarHBondContact O-N 3.21Å; R1010-L1021 HydrophobicContact CB-CD2 4.28Å; R1010-L1021 CarbonylContact O-C 3.52Å; R1010-L1021 VanDerWaalsContact O-CA 3.25Å; R1010-L1021 WeakPolarHBondContact O-CA 3.3Å; R1010-I1022 HydrophobicContact CB-CB 4.5Å; R1010-I1022 VanDerWaalsContact CZ-O 3.29Å; R1010-I1022 PolarHBondContact NE-O 3.45Å; R1010-I1022 PolarHBondContact NH2-O 2.68Å; R1010-I1022 PolarHBondContact O-N 3.11Å
1011K90Very high87.8Confident77 Ų7731.8 Ų31.834%0.33515%0.152SC..EExtended strand (participates in β ladder)trans-73.2134.2-177.8-63.8-176.5-174164.30110.4K1007 E1008 A1020 L1021K1007-K1011 HydrophobicContact CB-CB 4.47Å; K1007-K1011 PolarHBondContact N-O 2.82Å; K1007-K1011 VanDerWaalsContact N-O 3.12Å; E1008-K1011 HydrophobicContact CG-CB 4.34Å; E1008-K1011 HydrophobicContact CG-CD 4Å; E1008-K1011 HydrophobicContact CG-CG 4.45Å; E1008-K1011 WeakPolarHBondContact O-CB 3.47Å; E1008-K1011 PolarHBondContact O-N 3.04Å; E1008-K1011 WeakPolarHBondContact OE1-CD 3.24Å; E1008-K1011 VanDerWaalsContact OE1-CE 3.31Å; E1008-K1011 WeakPolarHBondContact OE1-CE 3.41Å; E1008-K1011 IonicContact OE1-NZ 3.37Å; E1008-K1011 PolarHBondContact OE1-NZ 2.69Å; K1011-A1020 WeakPolarHBondContact CA-O 3.31Å; K1011-L1021 HydrophobicContact CG-CD2 4.31Å
1012I92.2Very high88Confident0 Ų029.8 Ų29.80%014%0.139CC..EExtended strand (participates in β ladder)trans-132.3153.6174.454.4165.8000108.7C1004 Y1005 N1019 A1020 I1022 A1056 M1059C1004-I1012 HydrophobicContact CB-CB 4.27Å; C1004-I1012 HydrophobicContact CB-CD1 4.02Å; Y1005-I1012 CarbonylContact O-C 3.59Å; Y1005-I1012 WeakPolarHBondContact O-CA 3.35Å; I1012-N1019 WeakPolarHBondContact O-CA 3.39Å; I1012-A1020 HydrophobicContact CD1-CB 4.07Å; I1012-A1020 VanDerWaalsContact CG1-C 3.45Å; I1012-A1020 HydrophobicContact CG1-CB 3.9Å; I1012-A1020 VanDerWaalsContact CG1-O 3.3Å; I1012-A1020 WeakPolarHBondContact CG1-O 3.41Å; I1012-A1020 PolarHBondContact N-O 2.97Å; I1012-A1020 PolarHBondContact O-N 3.08Å; I1012-I1022 HydrophobicContact CG2-CD1 4.44Å; I1012-I1022 HydrophobicContact CG2-CG1 3.87Å; I1012-A1056 HydrophobicContact CD1-CB 3.43Å; I1012-A1056 VanDerWaalsContact CD1-CB 3.43Å; I1012-M1059 HydrophobicContact CD1-CE 4.34Å; I1012-M1059 HydrophobicContact CG2-CE 4.38Å
1013L91Very high87.9Confident5 Ų531.2 Ų31.23%0.02615%0.145CC..EExtended strand (participates in β ladder)trans-103125.9167.8-62.5174.6000108.7E269 V271 C1004 Y1005 R1018 W1087E269-L1013 HydrophobicContact CB-CD1 4.11Å; E269-L1013 HydrophobicContact CB-CD2 4.15Å; E269-L1013 HydrophobicContact CG-CD1 4.06Å; V271-L1013 HydrophobicContact CG2-CD1 4.35Å; C1004-L1013 CarbonylContact C-O 3.57Å; C1004-L1013 WeakPolarHBondContact CA-O 3.02Å; C1004-L1013 WeakPolarHBondContact CB-O 3.47Å; Y1005-L1013 PolarHBondContact N-O 3.07Å; Y1005-L1013 PolarHBondContact O-N 3.23Å; L1013-R1018 CarbonylContact C-O 3.54Å; L1013-R1018 VanDerWaalsContact CA-O 3.3Å; L1013-R1018 WeakPolarHBondContact CA-O 3.29Å; L1013-W1087 HydrophobicContact CB-CZ3 4.22Å
1014T88.5Confident87.6Confident4 Ų436.2 Ų36.23%0.02517%0.167CC..EExtended strand (participates in β ladder)trans-78.1174171.754.90000111.1E1016 G1017 R1018 A1020 F1045 W1087T1014-E1016 PolarHBondContact O-N 3.38Å; T1014-E1016 PolarHBondContact OG1-OE2 3.42Å; T1014-G1017 PolarHBondContact O-N 2.68Å; T1014-R1018 PolarHBondContact N-O 2.81Å; T1014-R1018 PolarHBondContact OG1-O 3.21Å; T1014-A1020 HydrophobicContact CG2-CB 4.04Å; T1014-F1045 HydrophobicContact CG2-CZ 4.43Å; T1014-W1087 WeakPolarHBondContact O-CZ3 3.4Å
1015T77.2Confident87.3Confident35 Ų3537.2 Ų37.222%0.21517%0.174CC..THydrogen-bonded Turntrans-44.9-16.8174.5-33.30000115.6P1001 V1003 W1087P1001-T1015 PolarHBondContact O-OG1 3.44Å; P1001-T1015 VanDerWaalsContact O-OG1 3.04Å; V1003-T1015 PolarHBondContact O-N 2.99Å; V1003-T1015 PolarHBondContact O-OG1 2.84Å; T1015-W1087 VanDerWaalsContact CA-CE2 3.5Å
1016E71.6Confident87.2Confident29 Ų2934.9 Ų34.914%0.13616%0.164CC..THydrogen-bonded Turntrans-991-172.9-49.3165.8160.700112.1V166 L168 T1014 R1018 K1048V166-E1016 HydrophobicContact CB-CG 4.34Å; V166-E1016 HydrophobicContact CG1-CB 4.04Å; V166-E1016 HydrophobicContact CG1-CG 3.69Å; V166-E1016 HydrophobicContact CG2-CB 4.02Å; V166-E1016 HydrophobicContact CG2-CG 4.3Å; L168-E1016 HydrophobicContact CD2-CG 4.15Å; T1014-E1016 PolarHBondContact O-N 3.38Å; T1014-E1016 PolarHBondContact OG1-OE2 3.42Å; E1016-R1018 HydrophobicContact CB-CB 4.23Å; E1016-R1018 HydrophobicContact CB-CG 3.77Å; E1016-R1018 PolarHBondContact O-N 3.16Å; E1016-K1048 IonicContact OE1-NZ 3.37Å; E1016-K1048 PolarHBondContact OE1-NZ 3.24Å; E1016-K1048 IonicContact OE2-NZ 2.61Å; E1016-K1048 PolarHBondContact OE2-NZ 2.74Å
1017G74.9Confident87.1Confident6 Ų634 Ų346%0.06216%0.161CC..SBendtrans66.322.2-168.700000113.4E269 T1014E269-G1017 PolarHBondContact N-O 3.46Å; T1014-G1017 PolarHBondContact O-N 2.68Å
1018R82.5Confident87.2Confident22 Ų2229.9 Ų29.98%0.08314%0.143CC..  trans-103.3142.4-174.2-66.6-64-175.4-146.1-17.2112.8E162 S163 V166 L1013 T1014 E1016 A1020E162-R1018 PolarHBondContact O-NE 3.22Å; E162-R1018 IonicContact OE2-CZ 2.81Å; E162-R1018 IonicContact OE2-NH1 3.65Å; E162-R1018 PolarHBondContact OE2-NH1 2.92Å; S163-R1018 WeakPolarHBondContact OG-CB 3.23Å; V166-R1018 HydrophobicContact CG2-CG 4Å; L1013-R1018 CarbonylContact C-O 3.54Å; L1013-R1018 VanDerWaalsContact CA-O 3.3Å; L1013-R1018 WeakPolarHBondContact CA-O 3.29Å; T1014-R1018 PolarHBondContact N-O 2.81Å; T1014-R1018 PolarHBondContact OG1-O 3.21Å; E1016-R1018 HydrophobicContact CB-CB 4.23Å; E1016-R1018 HydrophobicContact CB-CG 3.77Å; E1016-R1018 PolarHBondContact O-N 3.16Å; R1018-A1020 PolarHBondContact O-N 2.8Å
1019N86.6Confident87.3Confident56 Ų5627.1 Ų27.130%0.29913%0.13SC..EExtended strand (participates in β ladder)trans-74.4123.4-179-81.6-82.1000112.2A159 I1012A159-N1019 HydrophobicContact CB-CB 4.28Å; I1012-N1019 WeakPolarHBondContact O-CA 3.39Å
1020A89.7Confident87Confident5 Ų523.8 Ų23.84%0.04112%0.116CC..EExtended strand (participates in β ladder)trans-131.7178.917000000110.9K1011 I1012 T1014 R1018 I1054K1011-A1020 WeakPolarHBondContact CA-O 3.31Å; I1012-A1020 HydrophobicContact CD1-CB 4.07Å; I1012-A1020 VanDerWaalsContact CG1-C 3.45Å; I1012-A1020 HydrophobicContact CG1-CB 3.9Å; I1012-A1020 VanDerWaalsContact CG1-O 3.3Å; I1012-A1020 WeakPolarHBondContact CG1-O 3.41Å; I1012-A1020 PolarHBondContact N-O 2.97Å; I1012-A1020 PolarHBondContact O-N 3.08Å; T1014-A1020 HydrophobicContact CG2-CB 4.04Å; R1018-A1020 PolarHBondContact O-N 2.8Å; A1020-I1054 HydrophobicContact CB-CB 4.25Å; A1020-I1054 HydrophobicContact CB-CG2 3.83Å
1021L91.5Very high86.1Confident29 Ų2924.1 Ų24.115%0.15212%0.119CC..EExtended strand (participates in β ladder)trans-120.9145.3-177.8-60.1178.3000113.6R1010 K1011 H1023 A1053 I1054 S1055 A1056R1010-L1021 HydrophobicContact CB-CD2 4.28Å; R1010-L1021 CarbonylContact O-C 3.52Å; R1010-L1021 VanDerWaalsContact O-CA 3.25Å; R1010-L1021 WeakPolarHBondContact O-CA 3.3Å; K1011-L1021 HydrophobicContact CG-CD2 4.31Å; L1021-H1023 PolarHBondContact O-N 2.58Å; L1021-A1053 HydrophobicContact CD1-CB 3.88Å; L1021-I1054 PolarHBondContact N-O 2.84Å; L1021-S1055 CarbonylContact O-C 3.57Å; L1021-S1055 WeakPolarHBondContact O-CA 3.42Å; L1021-S1055 WeakPolarHBondContact O-CB 3.38Å; L1021-A1056 PolarHBondContact O-N 2.89Å
1022I92.2Very high85Confident0 Ų023.2 Ų23.20%012%0.122CC..EExtended strand (participates in β ladder)trans-61120.9165.1-60.3177.1000108.8R1010 I1012 N1028 C1029 M1059R1010-I1022 HydrophobicContact CB-CB 4.5Å; R1010-I1022 VanDerWaalsContact CZ-O 3.29Å; R1010-I1022 PolarHBondContact NE-O 3.45Å; R1010-I1022 PolarHBondContact NH2-O 2.68Å; R1010-I1022 PolarHBondContact O-N 3.11Å; I1012-I1022 HydrophobicContact CG2-CD1 4.44Å; I1012-I1022 HydrophobicContact CG2-CG1 3.87Å; I1022-N1028 HydrophobicContact CG2-CB 4.35Å; I1022-C1029 HydrophobicContact CG2-CB 3.96Å; I1022-M1059 HydrophobicContact CB-SD 4.04Å; I1022-M1059 HydrophobicContact CG1-CE 4.22Å; I1022-M1059 HydrophobicContact CG1-SD 3.82Å; I1022-M1059 HydrophobicContact CG2-SD 3.77Å
1023H91Very high83.4Confident47 Ų4728 Ų2822%0.21816%0.156CC..  trans-60.6152.2-179.7-172.6-108.6000111.8L1021 S1025 S1026 C1029 A1056 K1057L1021-H1023 PolarHBondContact O-N 2.58Å; H1023-S1025 VanDerWaalsContact C-N 3.32Å; H1023-S1025 PolarHBondContact CE1-OG 2.87Å; H1023-S1025 PolarHBondContact ND1-N 2.78Å; H1023-S1025 PolarHBondContact ND1-OG 3.22Å; H1023-S1025 PolarHBondContact O-N 2.88Å; H1023-S1026 WeakPolarHBondContact O-CB 3.44Å; H1023-S1026 PolarHBondContact O-N 3.26Å; H1023-C1029 WeakPolarHBondContact O-CB 3.42Å; H1023-A1056 WeakPolarHBondContact CB-O 3.5Å; H1023-A1056 PolarHBondContact N-O 2.76Å; H1023-K1057 HydrophobicContact CB-CB 3.95Å; H1023-K1057 HydrophobicContact CB-CG 4.44Å
1024K87.4Confident81.9Confident107 Ų10734.9 Ų34.947%0.46519%0.187SC..THydrogen-bonded Turntrans-71.2-25.1-172.5-64177.4-171.7162.90113.7K898 R899 S1026K898-K1024 WeakPolarHBondContact O-CB 3.09Å; R899-K1024 WeakPolarHBondContact CA-O 3.41Å; R899-K1024 HydrophobicContact CG-CB 4.43Å; K1024-S1026 VanDerWaalsContact C-N 3.28Å
1025S87.5Confident80.7Confident21 Ų2138.7 Ų38.715%0.14721%0.208CC..THydrogen-bonded Turntrans-76.8-9.2173.567.50000113.7E891 L900 H1023E891-S1025 PolarHBondContact OE1-OG 3.12Å; E891-S1025 WeakPolarHBondContact OE2-CB 3.29Å; E891-S1025 PolarHBondContact OE2-OG 3.25Å; L900-S1025 WeakPolarHBondContact CD1-O 3.2Å; L900-S1025 WeakPolarHBondContact CG-O 3.41Å; H1023-S1025 VanDerWaalsContact C-N 3.32Å; H1023-S1025 PolarHBondContact CE1-OG 2.87Å; H1023-S1025 PolarHBondContact ND1-N 2.78Å; H1023-S1025 PolarHBondContact ND1-OG 3.22Å; H1023-S1025 PolarHBondContact O-N 2.88Å
1026S91.4Very high80.5Confident0 Ų038.8 Ų38.80%021%0.206CC..SBendtrans-75140.5-179.3-175.40000112.7D914 H1023 K1024 N1028 C1029D914-S1026 VanDerWaalsContact CG-OG 3.28Å; D914-S1026 VanDerWaalsContact OD1-CA 3.26Å; D914-S1026 WeakPolarHBondContact OD1-CA 3.33Å; D914-S1026 PolarHBondContact OD1-OG 2.98Å; D914-S1026 WeakPolarHBondContact OD2-CA 3.22Å; D914-S1026 WeakPolarHBondContact OD2-CB 3.4Å; D914-S1026 PolarHBondContact OD2-OG 2.96Å; H1023-S1026 WeakPolarHBondContact O-CB 3.44Å; H1023-S1026 PolarHBondContact O-N 3.26Å; K1024-S1026 VanDerWaalsContact C-N 3.28Å; S1026-N1028 PolarHBondContact O-N 3.39Å; S1026-N1028 WeakPolarHBondContact OG-CB 3.39Å; S1026-N1028 PolarHBondContact OG-N 3.01Å; S1026-C1029 VanDerWaalsContact O-CB 3.24Å; S1026-C1029 WeakPolarHBondContact O-CB 3.43Å; S1026-C1029 PolarHBondContact O-N 3.22Å
1027V90.9Very high80.9Confident1 Ų146.8 Ų46.81%0.00624%0.24CC..THydrogen-bonded Turntrans-59.6-22.2169.3-56.80000112.6L900 R905 A908 D914 A917 R1154L900-V1027 HydrophobicContact CD1-CG1 3.94Å; R905-V1027 HydrophobicContact CG-CB 4.08Å; R905-V1027 HydrophobicContact CG-CG1 4.25Å; R905-V1027 PolarHBondContact NH1-O 3.32Å; A908-V1027 HydrophobicContact CB-CB 4.17Å; A908-V1027 HydrophobicContact CB-CG1 4.31Å; A908-V1027 HydrophobicContact CB-CG2 3.76Å; D914-V1027 WeakPolarHBondContact OD1-CG2 3.38Å; D914-V1027 PolarHBondContact OD1-N 2.95Å; A917-V1027 HydrophobicContact CB-CG1 4.14Å; V1027-R1154 PolarHBondContact O-NH1 3.25Å
1028N91.8Very high81.6Confident0 Ų047.8 Ų47.80%024%0.243CC..THydrogen-bonded Turntrans-81.7-16.9177.4-65.3-37.2000112.6F912 I1022 S1026 P1030 Y1038 M1059F912-N1028 WeakPolarHBondContact CA-OD1 3.35Å; F912-N1028 WeakPolarHBondContact CB-OD1 3.47Å; F912-N1028 PolarHBondContact O-ND2 3.36Å; F912-N1028 PolarHBondContact O-OD1 2.92Å; I1022-N1028 HydrophobicContact CG2-CB 4.35Å; S1026-N1028 PolarHBondContact O-N 3.39Å; S1026-N1028 WeakPolarHBondContact OG-CB 3.39Å; S1026-N1028 PolarHBondContact OG-N 3.01Å; N1028-P1030 WeakPolarHBondContact O-CD 3.29Å; N1028-P1030 VanDerWaalsContact O-N 3.15Å; N1028-Y1038 HydrophobicContact CB-CE1 4.38Å; N1028-Y1038 WeakPolarHBondContact CB-OH 3.36Å; N1028-Y1038 PolarHBondContact O-OH 3.16Å; N1028-M1059 PolarHBondContact ND2-O 2.99Å
1029C89.6Confident81.9Confident0 Ų048.3 Ų48.30%025%0.249CC..SBendtrans-62.6117.5178.6-162.80000110.8R905 I1022 H1023 S1026R905-C1029 PolarHBondContact NH1-O 3.45Å; R905-C1029 PolarHBondContact NH2-O 2.85Å; I1022-C1029 HydrophobicContact CG2-CB 3.96Å; H1023-C1029 WeakPolarHBondContact O-CB 3.42Å; S1026-C1029 VanDerWaalsContact O-CB 3.24Å; S1026-C1029 WeakPolarHBondContact O-CB 3.43Å; S1026-C1029 PolarHBondContact O-N 3.22Å
1030P81.5Confident82.1Confident5 Ų545.7 Ų45.73%0.03224%0.235CC..  trans-60.7148.9-177.4-25.135.2000113.2R899 K1009 N1028R899-P1030 PolarHBondContact NE-O 3.32Å; R899-P1030 PolarHBondContact NH1-O 3.02Å; R899-P1030 PolarHBondContact NH2-O 3.13Å; K1009-P1030 WeakPolarHBondContact O-CG 3.4Å; N1028-P1030 WeakPolarHBondContact O-CD 3.29Å; N1028-P1030 VanDerWaalsContact O-N 3.15Å
1031F70Confident82.3Confident58 Ų5846.4 Ų46.425%0.25424%0.239SC..SBendtrans-78.2-48.3176.7-79.2-72000112.5R899 L900 Y902 R905 Y1155R899-F1031 PolarHBondContact NH1-O 3.4Å; L900-F1031 WeakPolarHBondContact O-CE1 3.23Å; L900-F1031 WeakPolarHBondContact O-CZ 3.48Å; Y902-F1031 AromaticContact CD1-CE2 3.57Å; Y902-F1031 HydrophobicContact CD1-CE2 3.57Å; Y902-F1031 AromaticContact CD1-CZ 3.61Å; Y902-F1031 HydrophobicContact CD1-CZ 3.61Å; Y902-F1031 AromaticContact CE1-CD2 3.75Å; Y902-F1031 HydrophobicContact CE1-CD2 3.75Å; Y902-F1031 HydrophobicContact CE1-CE1 4.18Å; Y902-F1031 AromaticContact CE1-CE2 3.14Å; Y902-F1031 HydrophobicContact CE1-CE2 3.14Å; Y902-F1031 HydrophobicContact CE1-CG 4.44Å; Y902-F1031 AromaticContact CE1-CZ 3.38Å; Y902-F1031 HydrophobicContact CE1-CZ 3.38Å; Y902-F1031 HydrophobicContact CG-CZ 4.41Å; R905-F1031 VanDerWaalsContact CZ-CZ 3.42Å; R905-F1031 VanDerWaalsContact NE-CE2 3.3Å; R905-F1031 VanDerWaalsContact NH1-CE2 3.28Å; F1031-Y1155 HydrophobicContact CD2-CE2 4.4Å; F1031-Y1155 VanDerWaalsContact CD2-OH 3.29Å; F1031-Y1155 WeakPolarHBondContact CD2-OH 3.26Å; F1031-Y1155 HydrophobicContact CE2-CE2 4.26Å
1032S66.1Low82.5Confident58 Ų5845 Ų4541%0.40623%0.232SC..SBendtrans-97.3-176.2179.566.30000111.8Q1034S1032-Q1034 VanDerWaalsContact C-N 3.26Å; S1032-Q1034 WeakPolarHBondContact OG-CB 3.5Å; S1032-Q1034 PolarHBondContact OG-N 3.48Å; S1032-Q1034 PolarHBondContact OG-OE1 2.97Å
1033S58.6Low82.7Confident100 Ų10045.1 Ų45.170%0.69923%0.232SC*.SBendtrans-81-0.7168.948.30000113.6K1009K1009-S1033 WeakPolarHBondContact CE-O 3.36Å
1034Q59.5Low82.9Confident149 Ų14942.9 Ų42.970%0.69622%0.222SC*.SBendtrans-74.7144.9177.8-65.2165.7-32.800110.7S1032 M1036S1032-Q1034 VanDerWaalsContact C-N 3.26Å; S1032-Q1034 WeakPolarHBondContact OG-CB 3.5Å; S1032-Q1034 PolarHBondContact OG-N 3.48Å; S1032-Q1034 PolarHBondContact OG-OE1 2.97Å; Q1034-M1036 PolarHBondContact O-N 3.06Å
1035D62.9Low83.3Confident85 Ų8538 Ų3846%0.45520%0.201SC..PPolyproline II helixtrans-72.9116.2177.7-79.2-68.1000111.1E1008 K1009E1008-D1035 WeakPolarHBondContact CB-OD1 3.23Å; K1009-D1035 VanDerWaalsContact CE-OD2 3.31Å; K1009-D1035 WeakPolarHBondContact CE-OD2 3.4Å; K1009-D1035 WeakPolarHBondContact CG-OD1 3.42Å; K1009-D1035 PolarHBondContact N-OD1 3.49Å; K1009-D1035 IonicContact NZ-OD1 2.81Å; K1009-D1035 IonicContact NZ-OD2 2.75Å; K1009-D1035 PolarHBondContact NZ-OD2 3.39Å
1036M73.8Confident83.4Confident36 Ų3638.2 Ų38.218%0.17721%0.206CC..PPolyproline II helixtrans-85.8119.8170.6-171166.566.100108.7Q1034 Y1038 R1154Q1034-M1036 PolarHBondContact O-N 3.06Å; M1036-Y1038 HydrophobicContact CE-CD1 4.32Å; M1036-Y1038 HydrophobicContact CE-CE1 3.4Å; M1036-Y1038 HydrophobicContact CE-CE2 4.22Å; M1036-Y1038 WeakPolarHBondContact CE-OH 3.47Å; M1036-R1154 VanDerWaalsContact SD-CZ 3.51Å; M1036-R1154 PolarHBondContact SD-NE 3.06Å; M1036-R1154 VanDerWaalsContact SD-NE 3.41Å; M1036-R1154 PolarHBondContact SD-NH2 2.82Å
1037K79.6Confident83.3Confident197 Ų19740.3 Ų40.386%0.85722%0.216SC*.PPolyproline II helixtrans-82.7130.5171.7-64.7-171.9176.5-172.10109.3
1038Y89Confident83.2Confident27 Ų2740.8 Ų40.811%0.10622%0.218CC..PPolyproline II helixtrans-97.8154.7172.8-64.9-79.8000110.9F912 H1006 N1028 M1036 S1040 F1043 L1061F912-Y1038 HydrophobicContact CB-CD1 4.41Å; F912-Y1038 AromaticContact CD1-CD1 3.67Å; F912-Y1038 HydrophobicContact CD1-CD1 3.67Å; F912-Y1038 AromaticContact CD1-CE1 3.75Å; F912-Y1038 HydrophobicContact CD1-CE1 3.75Å; F912-Y1038 HydrophobicContact CE1-CD1 4.09Å; F912-Y1038 HydrophobicContact CE1-CE1 4.35Å; F912-Y1038 HydrophobicContact CG-CD1 4.07Å; F912-Y1038 HydrophobicContact CG-CE1 4.38Å; H1006-Y1038 HydrophobicContact CB-CD2 4.27Å; H1006-Y1038 HydrophobicContact CB-CE2 4.42Å; H1006-Y1038 AromaticContact CD2-CE2 3.74Å; H1006-Y1038 AromaticContact CE1-CD2 3.79Å; H1006-Y1038 AromaticContact CE1-CE2 3.65Å; H1006-Y1038 AromaticContact CG-CD2 3.73Å; H1006-Y1038 AromaticContact CG-CE2 3.67Å; H1006-Y1038 AromaticContact ND1-CD2 3.42Å; H1006-Y1038 WeakPolarHBondContact ND1-CD2 3.39Å; H1006-Y1038 AromaticContact ND1-CE2 3.63Å; H1006-Y1038 AromaticContact NE2-CE2 3.71Å; N1028-Y1038 HydrophobicContact CB-CE1 4.38Å; N1028-Y1038 WeakPolarHBondContact CB-OH 3.36Å; N1028-Y1038 PolarHBondContact O-OH 3.16Å; M1036-Y1038 HydrophobicContact CE-CD1 4.32Å; M1036-Y1038 HydrophobicContact CE-CE1 3.4Å; M1036-Y1038 HydrophobicContact CE-CE2 4.22Å; M1036-Y1038 WeakPolarHBondContact CE-OH 3.47Å; Y1038-S1040 WeakPolarHBondContact CB-O 3.31Å; Y1038-S1040 PolarHBondContact O-N 2.96Å; Y1038-F1043 HydrophobicContact CD1-CE2 4.37Å; Y1038-F1043 AromaticContact CD1-CZ 3.59Å; Y1038-F1043 HydrophobicContact CD1-CZ 3.59Å; Y1038-F1043 AromaticContact CD2-CE2 3.95Å; Y1038-F1043 HydrophobicContact CD2-CE2 3.95Å; Y1038-F1043 AromaticContact CD2-CZ 3.94Å; Y1038-F1043 HydrophobicContact CD2-CZ 3.94Å; Y1038-F1043 HydrophobicContact CE1-CE1 4.32Å; Y1038-F1043 AromaticContact CE1-CZ 3.6Å; Y1038-F1043 HydrophobicContact CE1-CZ 3.6Å; Y1038-F1043 HydrophobicContact CE2-CE2 4.15Å; Y1038-F1043 AromaticContact CE2-CZ 3.97Å; Y1038-F1043 HydrophobicContact CE2-CZ 3.97Å; Y1038-F1043 HydrophobicContact CG-CE2 4.04Å; Y1038-F1043 AromaticContact CG-CZ 3.73Å; Y1038-F1043 HydrophobicContact CG-CZ 3.73Å; Y1038-F1043 AromaticContact CZ-CZ 3.77Å; Y1038-L1061 HydrophobicContact CD1-CD1 4.17Å; Y1038-L1061 HydrophobicContact CG-CD1 4.36Å
1039P89.4Confident82.8Confident34 Ų3441.3 Ų41.322%0.22122%0.221CC..SBendtrans-63-24.1173.7-23.534.7000114.1F912 I1146 L1148F912-P1039 HydrophobicContact CD2-CG 4.35Å; F912-P1039 HydrophobicContact CE2-CG 3.8Å; F912-P1039 HydrophobicContact CZ-CG 4.49Å; P1039-I1146 HydrophobicContact CB-CG2 3.47Å; P1039-I1146 VanDerWaalsContact CB-CG2 3.47Å; P1039-L1148 HydrophobicContact CB-CD2 3.88Å; P1039-L1148 HydrophobicContact CG-CD2 3.86Å
1040S91.4Very high82.2Confident1 Ų141.5 Ų41.51%0.00722%0.222CC..  trans-137140.9174.2179.40000108.2Y1038 F1042 V1062Y1038-S1040 WeakPolarHBondContact CB-O 3.31Å; Y1038-S1040 PolarHBondContact O-N 2.96Å; S1040-F1042 PolarHBondContact OG-N 2.78Å; S1040-V1062 VanDerWaalsContact CB-O 3.25Å; S1040-V1062 WeakPolarHBondContact CB-O 3.41Å; S1040-V1062 PolarHBondContact OG-O 3.43Å
1041P92.6Very high81.7Confident19 Ų1944 Ų4412%0.12324%0.237CC..SBendtrans-76.1-14.1171.233.7-35.3000112.1Y274 Y1005 H1006 F1043Y274-P1041 HydrophobicContact CD2-CG 3.82Å; Y274-P1041 VanDerWaalsContact CE2-CD 3.46Å; Y274-P1041 HydrophobicContact CE2-CG 3.78Å; Y1005-P1041 CarbonylContact C-O 3.59Å; Y1005-P1041 WeakPolarHBondContact CA-O 3.45Å; Y1005-P1041 HydrophobicContact CD2-CB 3.77Å; Y1005-P1041 HydrophobicContact CD2-CG 3.94Å; Y1005-P1041 HydrophobicContact CE1-CB 4.37Å; Y1005-P1041 HydrophobicContact CE2-CB 3.44Å; Y1005-P1041 VanDerWaalsContact CE2-CB 3.44Å; Y1005-P1041 HydrophobicContact CE2-CG 3.43Å; Y1005-P1041 VanDerWaalsContact CE2-CG 3.43Å; Y1005-P1041 HydrophobicContact CG-CB 4.37Å; H1006-P1041 PolarHBondContact N-O 2.83Å; P1041-F1043 WeakPolarHBondContact O-CD2 3.45Å
1042F95.4Very high81.5Confident1 Ų148.2 Ų48.20%0.00425%0.251CS..EExtended strand (participates in β ladder)trans-86.7133.5-172.3-58.1-70.6000112.8Y274 Y1005 S1040 V1062 P1064 L1067 I1088 L1090Y274-F1042 AromaticContact CD1-CE2 3.87Å; Y274-F1042 HydrophobicContact CD1-CE2 3.87Å; Y274-F1042 AromaticContact CD2-CE2 3.99Å; Y274-F1042 HydrophobicContact CD2-CE2 3.99Å; Y274-F1042 HydrophobicContact CD2-CZ 4.42Å; Y274-F1042 HydrophobicContact CE1-CE2 4.31Å; Y274-F1042 HydrophobicContact CE2-CE2 4.41Å; Y274-F1042 AromaticContact CG-CE2 3.69Å; Y274-F1042 HydrophobicContact CG-CE2 3.69Å; Y274-F1042 HydrophobicContact CG-CZ 4.03Å; Y1005-F1042 HydrophobicContact CD2-CD1 4.14Å; Y1005-F1042 AromaticContact CD2-CE1 3.79Å; Y1005-F1042 HydrophobicContact CD2-CE1 3.79Å; Y1005-F1042 HydrophobicContact CD2-CZ 4.36Å; Y1005-F1042 HydrophobicContact CE2-CE1 4.35Å; Y1005-F1042 HydrophobicContact CE2-CZ 4.49Å; S1040-F1042 PolarHBondContact OG-N 2.78Å; F1042-V1062 HydrophobicContact CB-CG2 3.92Å; F1042-V1062 PolarHBondContact O-N 2.85Å; F1042-P1064 HydrophobicContact CD2-CB 4.36Å; F1042-P1064 HydrophobicContact CE2-CB 4.06Å; F1042-L1067 HydrophobicContact CB-CD1 3.77Å; F1042-L1067 HydrophobicContact CD1-CD1 3.63Å; F1042-L1067 HydrophobicContact CE1-CD1 4.36Å; F1042-L1067 HydrophobicContact CG-CD1 3.72Å; F1042-I1088 HydrophobicContact CD1-CD1 4.43Å; F1042-I1088 HydrophobicContact CE1-CD1 4.28Å; F1042-I1088 HydrophobicContact CE1-CG1 4.17Å; F1042-I1088 HydrophobicContact CE1-CG2 3.8Å; F1042-I1088 HydrophobicContact CZ-CG2 4.05Å; F1042-L1090 HydrophobicContact CE2-CD2 4.37Å; F1042-L1090 HydrophobicContact CZ-CD2 4.04Å
1043F96.4Very high82Confident1 Ų146 Ų460%0.00424%0.236CC..EExtended strand (participates in β ladder)trans-134.6145.2175.3-71.7-98.7000110.9C1004 H1006 Y1038 P1041 M1059 T1060 L1061C1004-F1043 PolarHBondContact N-O 2.81Å; C1004-F1043 PolarHBondContact O-N 2.75Å; H1006-F1043 HydrophobicContact CB-CD2 4.3Å; H1006-F1043 HydrophobicContact CB-CE2 4.03Å; Y1038-F1043 HydrophobicContact CD1-CE2 4.37Å; Y1038-F1043 AromaticContact CD1-CZ 3.59Å; Y1038-F1043 HydrophobicContact CD1-CZ 3.59Å; Y1038-F1043 AromaticContact CD2-CE2 3.95Å; Y1038-F1043 HydrophobicContact CD2-CE2 3.95Å; Y1038-F1043 AromaticContact CD2-CZ 3.94Å; Y1038-F1043 HydrophobicContact CD2-CZ 3.94Å; Y1038-F1043 HydrophobicContact CE1-CE1 4.32Å; Y1038-F1043 AromaticContact CE1-CZ 3.6Å; Y1038-F1043 HydrophobicContact CE1-CZ 3.6Å; Y1038-F1043 HydrophobicContact CE2-CE2 4.15Å; Y1038-F1043 AromaticContact CE2-CZ 3.97Å; Y1038-F1043 HydrophobicContact CE2-CZ 3.97Å; Y1038-F1043 HydrophobicContact CG-CE2 4.04Å; Y1038-F1043 AromaticContact CG-CZ 3.73Å; Y1038-F1043 HydrophobicContact CG-CZ 3.73Å; Y1038-F1043 AromaticContact CZ-CZ 3.77Å; P1041-F1043 WeakPolarHBondContact O-CD2 3.45Å; F1043-M1059 HydrophobicContact CB-CE 3.76Å; F1043-M1059 HydrophobicContact CD1-CB 4.28Å; F1043-M1059 HydrophobicContact CD1-CE 4.05Å; F1043-M1059 HydrophobicContact CG-CE 3.87Å; F1043-T1060 CarbonylContact C-O 3.12Å; F1043-T1060 VanDerWaalsContact CA-O 3.25Å; F1043-T1060 WeakPolarHBondContact CA-O 3.31Å; F1043-L1061 HydrophobicContact CD1-CB 4.06Å; F1043-L1061 HydrophobicContact CE1-CB 3.63Å; F1043-L1061 HydrophobicContact CE1-CD1 4.34Å; F1043-L1061 HydrophobicContact CE1-CG 4.39Å; F1043-L1061 HydrophobicContact CE2-CD1 4.42Å; F1043-L1061 HydrophobicContact CZ-CB 4.03Å; F1043-L1061 HydrophobicContact CZ-CD1 3.87Å; F1043-L1061 HydrophobicContact CZ-CG 4.31Å
1044V96.4Very high83.2Confident0 Ų041.4 Ų41.40%020%0.204CC..EExtended strand (participates in β ladder)trans-102.8153.9160.9-58.90000109.6A996 V999 N1002 V1003 M1059 T1060 V1062 L1067A996-V1044 HydrophobicContact CB-CG1 3.94Å; A996-V1044 HydrophobicContact CB-CG2 4.48Å; V999-V1044 HydrophobicContact CG2-CB 3.6Å; V999-V1044 HydrophobicContact CG2-CG2 3.83Å; N1002-V1044 CarbonylContact O-C 3.55Å; N1002-V1044 WeakPolarHBondContact O-CA 3.37Å; V1003-V1044 HydrophobicContact CG2-CG1 4.41Å; V1044-M1059 CarbonylContact O-C 3.58Å; V1044-M1059 WeakPolarHBondContact O-CA 3.35Å; V1044-T1060 HydrophobicContact CG2-CG2 4.4Å; V1044-T1060 PolarHBondContact N-O 3.39Å; V1044-T1060 PolarHBondContact O-N 3.25Å; V1044-V1062 HydrophobicContact CG1-CG1 4.02Å; V1044-V1062 HydrophobicContact CG1-CG2 4.04Å; V1044-V1062 HydrophobicContact CG2-CG1 3.87Å; V1044-L1067 HydrophobicContact CG1-CD2 3.96Å
1045F95.1Very high84.7Confident4 Ų434.6 Ų34.62%0.01817%0.173CC..EExtended strand (participates in β ladder)trans-144.4151-177.566.1-90.4000114.4V999 N1002 C1004 T1014 K1048 A1056 G1058 M1059V999-F1045 WeakPolarHBondContact CB-O 3.37Å; N1002-F1045 VanDerWaalsContact C-CE1 3.42Å; N1002-F1045 HydrophobicContact CB-CD1 4.03Å; N1002-F1045 HydrophobicContact CB-CD2 3.8Å; N1002-F1045 HydrophobicContact CB-CE1 3.86Å; N1002-F1045 HydrophobicContact CB-CE2 3.6Å; N1002-F1045 HydrophobicContact CB-CG 4Å; N1002-F1045 HydrophobicContact CB-CZ 3.63Å; N1002-F1045 WeakPolarHBondContact CB-O 3.44Å; N1002-F1045 PolarHBondContact ND2-O 2.86Å; N1002-F1045 VanDerWaalsContact O-CD1 3.25Å; N1002-F1045 WeakPolarHBondContact O-CD1 3.44Å; N1002-F1045 PolarHBondContact O-N 2.83Å; C1004-F1045 HydrophobicContact CB-CD1 4.2Å; C1004-F1045 HydrophobicContact CB-CE1 4Å; T1014-F1045 HydrophobicContact CG2-CZ 4.43Å; F1045-K1048 HydrophobicContact CE2-CB 3.88Å; F1045-K1048 HydrophobicContact CZ-CB 4.43Å; F1045-A1056 HydrophobicContact CB-CB 3.97Å; F1045-A1056 HydrophobicContact CD1-CB 3.93Å; F1045-A1056 HydrophobicContact CD2-CB 3.73Å; F1045-A1056 HydrophobicContact CE1-CB 4.36Å; F1045-A1056 HydrophobicContact CE2-CB 4.18Å; F1045-A1056 HydrophobicContact CG-CB 3.6Å; F1045-A1056 HydrophobicContact CZ-CB 4.48Å; F1045-G1058 CarbonylContact C-O 3.57Å; F1045-G1058 VanDerWaalsContact CA-O 3.23Å; F1045-G1058 WeakPolarHBondContact CA-O 3.44Å; F1045-M1059 HydrophobicContact CB-CG 3.98Å
1046G90.9Very high86.1Confident26 Ų2630.6 Ų30.627%0.26815%0.151SC..EExtended strand (participates in β ladder)trans-72.9-50-177.400000114.5N1002 K1057 G1058N1002-G1046 PolarHBondContact ND2-O 3.05Å; N1002-G1046 VanDerWaalsContact ND2-O 3.08Å; G1046-K1057 PolarHBondContact N-O 2.83Å; G1046-G1058 PolarHBondContact N-O 3.05Å
1047E87.9Confident86.9Confident45 Ų4531.5 Ų31.521%0.2115%0.154CC..EExtended strand (participates in β ladder)trans-132131.6-173.3-62.7-178.6114.600113K737 I1049 K1057K737-E1047 IonicContact NZ-OE1 2.79Å; E1047-I1049 HydrophobicContact CB-CD1 4Å; E1047-I1049 HydrophobicContact CB-CG1 3.71Å; E1047-K1057 PolarHBondContact N-O 3.33Å; E1047-K1057 VanDerWaalsContact N-O 3.14Å; E1047-K1057 PolarHBondContact O-N 2.92Å; E1047-K1057 IonicContact OE2-NZ 3.2Å; E1047-K1057 PolarHBondContact OE2-NZ 3.42Å
1048K88.9Confident87.5Confident10 Ų1022.7 Ų22.74%0.04312%0.12CC..EExtended strand (participates in β ladder)trans-86.497.9165.8-168.6-177.7-178.6-172.30108.3N743 M745 T746 E1016 F1045 I1054N743-K1048 PolarHBondContact O-NZ 3.36Å; M745-K1048 HydrophobicContact CB-CD 4.47Å; M745-K1048 HydrophobicContact CG-CG 4.47Å; T746-K1048 PolarHBondContact N-O 3.11Å; E1016-K1048 IonicContact OE1-NZ 3.37Å; E1016-K1048 PolarHBondContact OE1-NZ 3.24Å; E1016-K1048 IonicContact OE2-NZ 2.61Å; E1016-K1048 PolarHBondContact OE2-NZ 2.74Å; F1045-K1048 HydrophobicContact CE2-CB 3.88Å; F1045-K1048 HydrophobicContact CZ-CB 4.43Å; K1048-I1054 HydrophobicContact CG-CG2 4.03Å
1049I84.1Confident87.8Confident11 Ų1121.4 Ų21.46%0.05612%0.115CC..EExtended strand (participates in β ladder)trans-103.9125.7-173.3-56.2-178.1000111.4T746 Y748 E1047 T1051 S1055 K1057T746-I1049 CarbonylContact O-C 3.6Å; T746-I1049 WeakPolarHBondContact O-CA 3.49Å; Y748-I1049 HydrophobicContact CD2-CG2 4.23Å; E1047-I1049 HydrophobicContact CB-CD1 4Å; E1047-I1049 HydrophobicContact CB-CG1 3.71Å; I1049-T1051 HydrophobicContact CG2-CG2 4.13Å; I1049-S1055 PolarHBondContact N-O 2.94Å; I1049-S1055 PolarHBondContact O-N 3.39Å; I1049-K1057 HydrophobicContact CD1-CB 3.93Å; I1049-K1057 HydrophobicContact CD1-CD 3.53Å; I1049-K1057 HydrophobicContact CD1-CG 4.37Å
1050R77.1Confident88.2Confident4 Ų419.8 Ų19.82%0.01510%0.104CC..EExtended strand (participates in β ladder)trans-83.7125.3168.2-150.6-172.569.413417.7110.8T160 E164 N208 M745 T746 N747 I1054T160-R1050 HydrophobicContact CG2-CG 4.4Å; E164-R1050 WeakPolarHBondContact OE1-CD 3.24Å; E164-R1050 IonicContact OE1-CZ 3.19Å; E164-R1050 IonicContact OE1-NE 2.99Å; E164-R1050 IonicContact OE1-NH1 3.66Å; E164-R1050 PolarHBondContact OE1-NH1 2.82Å; N208-R1050 PolarHBondContact OD1-NH2 2.98Å; M745-R1050 HydrophobicContact CE-CB 4.36Å; M745-R1050 HydrophobicContact CE-CG 4.23Å; M745-R1050 HydrophobicContact CG-CB 4.08Å; M745-R1050 HydrophobicContact SD-CB 3.7Å; M745-R1050 HydrophobicContact SD-CG 3.81Å; T746-R1050 PolarHBondContact O-N 3.37Å; N747-R1050 HydrophobicContact CB-CB 4.15Å; N747-R1050 PolarHBondContact ND2-NH2 3.33Å; N747-R1050 PolarHBondContact OD1-NE 3.27Å; N747-R1050 PolarHBondContact OD1-NH2 3.3Å; R1050-I1054 HydrophobicContact CG-CG1 4.26Å
1051T71.3Confident88.4Confident58 Ų5820.2 Ų20.236%0.35611%0.106SC..SBendtrans-127.5-133.7163.864.80000107.7N208 I1049 A1053N208-T1051 PolarHBondContact OD1-O 2.86Å; I1049-T1051 HydrophobicContact CG2-CG2 4.13Å; T1051-A1053 PolarHBondContact N-O 2.83Å; T1051-A1053 VanDerWaalsContact N-O 3.16Å; T1051-A1053 PolarHBondContact O-N 3.19Å; T1051-A1053 PolarHBondContact OG1-O 3.46Å
1052R66.1Low88.6Confident146 Ų14619.3 Ų19.355%0.55110%0.1SC*.SBendtrans-63.8-23.9166.2-52.1-157.8-176.6-176.4-6.3113.2H207H207-R1052 PolarHBondContact CD2-NE 3.07Å; H207-R1052 PolarHBondContact CD2-NH2 2.91Å; H207-R1052 WeakPolarHBondContact O-CD 3.4Å; H207-R1052 VanDerWaalsContact O-CG 3.31Å; H207-R1052 WeakPolarHBondContact O-CG 3.46Å
1053A75.2Confident88.6Confident11 Ų1119.3 Ų19.39%0.09110%0.1CC..SBendtrans-141.4156.3172.300000108.1L1021 T1051L1021-A1053 HydrophobicContact CD1-CB 3.88Å; T1051-A1053 PolarHBondContact N-O 2.83Å; T1051-A1053 VanDerWaalsContact N-O 3.16Å; T1051-A1053 PolarHBondContact O-N 3.19Å; T1051-A1053 PolarHBondContact OG1-O 3.46Å
1054I84.9Confident88.5Confident5 Ų519.3 Ų19.33%0.02610%0.1CC..EExtended strand (participates in β ladder)trans-71.3134.8176.6-63.2170000109.1T160 S163 M745 A1020 L1021 K1048 R1050T160-I1054 HydrophobicContact CG2-CD1 4.41Å; T160-I1054 HydrophobicContact CG2-CG1 4.43Å; S163-I1054 WeakPolarHBondContact OG-CD1 3.48Å; M745-I1054 HydrophobicContact SD-CD1 4Å; M745-I1054 HydrophobicContact SD-CG1 4.07Å; A1020-I1054 HydrophobicContact CB-CB 4.25Å; A1020-I1054 HydrophobicContact CB-CG2 3.83Å; L1021-I1054 PolarHBondContact N-O 2.84Å; K1048-I1054 HydrophobicContact CG-CG2 4.03Å; R1050-I1054 HydrophobicContact CG-CG1 4.26Å
1055S90.2Very high88.5Confident5 Ų519.4 Ų19.44%0.03510%0.101CC..EExtended strand (participates in β ladder)trans-137.7137.1-178.7-61.90000112.7L1021 I1049L1021-S1055 CarbonylContact O-C 3.57Å; L1021-S1055 WeakPolarHBondContact O-CA 3.42Å; L1021-S1055 WeakPolarHBondContact O-CB 3.38Å; I1049-S1055 PolarHBondContact N-O 2.94Å; I1049-S1055 PolarHBondContact O-N 3.39Å
1056A92.1Very high88.5Confident1 Ų119.4 Ų19.41%0.00810%0.101CC..EExtended strand (participates in β ladder)trans-85.3127.5169.300000110.2I1012 L1021 H1023 F1045 M1059I1012-A1056 HydrophobicContact CD1-CB 3.43Å; I1012-A1056 VanDerWaalsContact CD1-CB 3.43Å; L1021-A1056 PolarHBondContact O-N 2.89Å; H1023-A1056 WeakPolarHBondContact CB-O 3.5Å; H1023-A1056 PolarHBondContact N-O 2.76Å; F1045-A1056 HydrophobicContact CB-CB 3.97Å; F1045-A1056 HydrophobicContact CD1-CB 3.93Å; F1045-A1056 HydrophobicContact CD2-CB 3.73Å; F1045-A1056 HydrophobicContact CE1-CB 4.36Å; F1045-A1056 HydrophobicContact CE2-CB 4.18Å; F1045-A1056 HydrophobicContact CG-CB 3.6Å; F1045-A1056 HydrophobicContact CZ-CB 4.48Å; A1056-M1059 HydrophobicContact CB-CE 4.32Å; A1056-M1059 HydrophobicContact CB-CG 4.23Å; A1056-M1059 HydrophobicContact CB-SD 3.96Å
1057K91.6Very high88.7Confident56 Ų5618.4 Ų18.424%0.2439%0.089CC..EExtended strand (participates in β ladder)trans-117.6147178.4-179.3-168.1157-141.90110.5E891 H1023 G1046 E1047 I1049E891-K1057 WeakPolarHBondContact OE1-CE 3.17Å; H1023-K1057 HydrophobicContact CB-CB 3.95Å; H1023-K1057 HydrophobicContact CB-CG 4.44Å; G1046-K1057 PolarHBondContact N-O 2.83Å; E1047-K1057 PolarHBondContact N-O 3.33Å; E1047-K1057 VanDerWaalsContact N-O 3.14Å; E1047-K1057 PolarHBondContact O-N 2.92Å; E1047-K1057 IonicContact OE2-NZ 3.2Å; E1047-K1057 PolarHBondContact OE2-NZ 3.42Å; I1049-K1057 HydrophobicContact CD1-CB 3.93Å; I1049-K1057 HydrophobicContact CD1-CD 3.53Å; I1049-K1057 HydrophobicContact CD1-CG 4.37Å
1058G92.4Very high88.9Confident12 Ų1216.2 Ų16.212%0.1248%0.079CC..EExtended strand (participates in β ladder)trans6962.1-178.700000110.4H915 F1045 G1046H915-G1058 PolarHBondContact CE1-O 3.34Å; F1045-G1058 CarbonylContact C-O 3.57Å; F1045-G1058 VanDerWaalsContact CA-O 3.23Å; F1045-G1058 WeakPolarHBondContact CA-O 3.44Å; G1046-G1058 PolarHBondContact N-O 3.05Å
1059M94.6Very high89.1Confident0 Ų015.8 Ų15.80%08%0.077CC..EExtended strand (participates in β ladder)trans-94.5139-171.1-61.1-170.167.900112.2S913 D914 C1004 I1012 I1022 N1028 F1043 V1044 F1045 A1056S913-M1059 WeakPolarHBondContact CA-O 3.17Å; D914-M1059 PolarHBondContact N-O 2.97Å; D914-M1059 PolarHBondContact OD2-N 3.11Å; C1004-M1059 VanDerWaalsContact SG-CE 3.57Å; I1012-M1059 HydrophobicContact CD1-CE 4.34Å; I1012-M1059 HydrophobicContact CG2-CE 4.38Å; I1022-M1059 HydrophobicContact CB-SD 4.04Å; I1022-M1059 HydrophobicContact CG1-CE 4.22Å; I1022-M1059 HydrophobicContact CG1-SD 3.82Å; I1022-M1059 HydrophobicContact CG2-SD 3.77Å; N1028-M1059 PolarHBondContact ND2-O 2.99Å; F1043-M1059 HydrophobicContact CB-CE 3.76Å; F1043-M1059 HydrophobicContact CD1-CB 4.28Å; F1043-M1059 HydrophobicContact CD1-CE 4.05Å; F1043-M1059 HydrophobicContact CG-CE 3.87Å; V1044-M1059 CarbonylContact O-C 3.58Å; V1044-M1059 WeakPolarHBondContact O-CA 3.35Å; F1045-M1059 HydrophobicContact CB-CG 3.98Å; A1056-M1059 HydrophobicContact CB-CE 4.32Å; A1056-M1059 HydrophobicContact CB-CG 4.23Å; A1056-M1059 HydrophobicContact CB-SD 3.96Å
1060T96.6Very high89.6Confident0 Ų015.6 Ų15.60%08%0.076CC..EExtended strand (participates in β ladder)trans-131.1124.6176.3-67.10000109.9S913 H915 I992 L995 F1043 V1044 V1062S913-T1060 WeakPolarHBondContact OG-CB 3.46Å; S913-T1060 WeakPolarHBondContact OG-CG2 3.46Å; S913-T1060 PolarHBondContact OG-OG1 2.88Å; H915-T1060 PolarHBondContact ND1-OG1 3.31Å; I992-T1060 HydrophobicContact CG1-CG2 4.33Å; I992-T1060 HydrophobicContact CG2-CG2 3.79Å; L995-T1060 HydrophobicContact CD2-CG2 4.04Å; L995-T1060 WeakPolarHBondContact CD2-OG1 3.34Å; F1043-T1060 CarbonylContact C-O 3.12Å; F1043-T1060 VanDerWaalsContact CA-O 3.25Å; F1043-T1060 WeakPolarHBondContact CA-O 3.31Å; V1044-T1060 HydrophobicContact CG2-CG2 4.4Å; V1044-T1060 PolarHBondContact N-O 3.39Å; V1044-T1060 PolarHBondContact O-N 3.25Å; T1060-V1062 HydrophobicContact CG2-CG1 4.38Å
1061L96.2Very high90.2Very high10 Ų1015.6 Ų15.65%0.0528%0.077CC..EExtended strand (participates in β ladder)trans-66135.5172-178.2142.9000110.3F912 Y1038 F1043 L1148F912-L1061 HydrophobicContact CB-CB 3.8Å; F912-L1061 HydrophobicContact CB-CD1 4.05Å; F912-L1061 HydrophobicContact CD2-CD1 4.25Å; F912-L1061 HydrophobicContact CG-CD1 4.3Å; F912-L1061 PolarHBondContact O-N 2.98Å; F912-L1061 VanDerWaalsContact O-N 3.16Å; Y1038-L1061 HydrophobicContact CD1-CD1 4.17Å; Y1038-L1061 HydrophobicContact CG-CD1 4.36Å; F1043-L1061 HydrophobicContact CD1-CB 4.06Å; F1043-L1061 HydrophobicContact CE1-CB 3.63Å; F1043-L1061 HydrophobicContact CE1-CD1 4.34Å; F1043-L1061 HydrophobicContact CE1-CG 4.39Å; F1043-L1061 HydrophobicContact CE2-CD1 4.42Å; F1043-L1061 HydrophobicContact CZ-CB 4.03Å; F1043-L1061 HydrophobicContact CZ-CD1 3.87Å; F1043-L1061 HydrophobicContact CZ-CG 4.31Å; L1061-L1148 HydrophobicContact CD2-CD2 4.27Å
1062V96.3Very high91.1Very high0 Ų012.9 Ų12.90%06%0.06CC..  trans-133.5160.8179.7-65.40000111.3I992 A996 S1040 F1042 V1044 T1060 Q1066 L1067I992-V1062 HydrophobicContact CG2-CG1 3.92Å; A996-V1062 HydrophobicContact CB-CG1 4.33Å; S1040-V1062 VanDerWaalsContact CB-O 3.25Å; S1040-V1062 WeakPolarHBondContact CB-O 3.41Å; S1040-V1062 PolarHBondContact OG-O 3.43Å; F1042-V1062 HydrophobicContact CB-CG2 3.92Å; F1042-V1062 PolarHBondContact O-N 2.85Å; V1044-V1062 HydrophobicContact CG1-CG1 4.02Å; V1044-V1062 HydrophobicContact CG1-CG2 4.04Å; V1044-V1062 HydrophobicContact CG2-CG1 3.87Å; T1060-V1062 HydrophobicContact CG2-CG1 4.38Å; V1062-Q1066 HydrophobicContact CB-CB 4.33Å; V1062-L1067 HydrophobicContact CG2-CD1 4.42Å; V1062-L1067 HydrophobicContact CG2-CD2 3.72Å; V1062-L1067 HydrophobicContact CG2-CG 3.84Å
1063T95.6Very high92.1Very high1 Ų110.6 Ų10.61%0.0065%0.054CC..  trans-87.5159.1172.576.50000111.2L1065 Q1066 L1067 P1141 I1146T1063-L1065 PolarHBondContact O-N 3.08Å; T1063-L1065 PolarHBondContact OG1-N 3.06Å; T1063-Q1066 PolarHBondContact O-N 2.77Å; T1063-Q1066 WeakPolarHBondContact OG1-CG 3.47Å; T1063-Q1066 PolarHBondContact OG1-N 2.77Å; T1063-L1067 PolarHBondContact O-N 2.96Å; T1063-L1067 VanDerWaalsContact O-N 3.11Å; T1063-P1141 HydrophobicContact CG2-CB 4.35Å; T1063-I1146 HydrophobicContact CG2-CD1 3.96Å
1064P94.9Very high92.7Very high0 Ų014 Ų140%07%0.067CC..Hα-helixtrans-58.6-27.6170.424.7-36.2000113.1Y274 V276 F1042 L1068 L1090 A1144Y274-P1064 HydrophobicContact CD1-CB 4.48Å; Y274-P1064 HydrophobicContact CD1-CG 4.13Å; Y274-P1064 HydrophobicContact CE1-CG 3.88Å; V276-P1064 HydrophobicContact CG1-CG 3.95Å; V276-P1064 HydrophobicContact CG2-CB 3.99Å; V276-P1064 HydrophobicContact CG2-CG 3.89Å; F1042-P1064 HydrophobicContact CD2-CB 4.36Å; F1042-P1064 HydrophobicContact CE2-CB 4.06Å; P1064-L1068 WeakPolarHBondContact O-CB 3.35Å; P1064-L1068 PolarHBondContact O-N 3.39Å; P1064-L1090 HydrophobicContact CB-CD1 4.08Å; P1064-L1090 HydrophobicContact CB-CD2 3.71Å; P1064-A1144 HydrophobicContact CG-CB 4.26Å
1065L95.7Very high93.1Very high2 Ų213.7 Ų13.71%0.017%0.065CC..Hα-helixtrans-74.2-38.7178-56.4-179.7000112.3V276 L278 T1063 L1067 L1068 L1069 I1092 I1100 I1138 A1143 A1144V276-L1065 HydrophobicContact CG1-CD2 3.87Å; V276-L1065 HydrophobicContact CG1-CG 4.28Å; L278-L1065 HydrophobicContact CD1-CD1 3.92Å; L278-L1065 HydrophobicContact CD1-CD2 3.83Å; L278-L1065 HydrophobicContact CD1-CG 4.42Å; T1063-L1065 PolarHBondContact O-N 3.08Å; T1063-L1065 PolarHBondContact OG1-N 3.06Å; L1065-L1067 VanDerWaalsContact C-N 3.32Å; L1065-L1068 PolarHBondContact O-N 3.34Å; L1065-L1069 VanDerWaalsContact O-CB 3.29Å; L1065-L1069 WeakPolarHBondContact O-CB 3.5Å; L1065-L1069 PolarHBondContact O-N 2.67Å; L1065-I1092 HydrophobicContact CD2-CD1 3.94Å; L1065-I1100 HydrophobicContact CD2-CD1 3.77Å; L1065-I1138 HydrophobicContact CB-CG2 3.77Å; L1065-I1138 HydrophobicContact CD1-CG2 4.29Å; L1065-A1143 HydrophobicContact CD1-CB 4.12Å; L1065-A1144 HydrophobicContact CD1-CB 3.84Å; L1065-A1144 HydrophobicContact CG-CB 4Å
1066Q95.8Very high93.3Very high5 Ų515.3 Ų15.32%0.0237%0.072CC..Hα-helixtrans-63.4-39.8172.3-70.2176-48.700111.2D989 S993 V1062 T1063 F1070 S1139D989-Q1066 PolarHBondContact O-NE2 2.92Å; D989-Q1066 VanDerWaalsContact O-NE2 3.13Å; S993-Q1066 WeakPolarHBondContact OG-CG 3.31Å; S993-Q1066 PolarHBondContact OG-NE2 2.92Å; V1062-Q1066 HydrophobicContact CB-CB 4.33Å; T1063-Q1066 PolarHBondContact O-N 2.77Å; T1063-Q1066 WeakPolarHBondContact OG1-CG 3.47Å; T1063-Q1066 PolarHBondContact OG1-N 2.77Å; Q1066-F1070 PolarHBondContact O-N 3.38Å; Q1066-S1139 PolarHBondContact NE2-O 3.39Å
1067L94.3Very high93.3Very high4 Ų415.3 Ų15.32%0.0217%0.072CC..Hα-helixtrans-62.4-51172.9-72.1-173.8000112.1V1003 F1042 V1044 V1062 T1063 L1065 L1069 F1070 A1071 S1072 I1088V1003-L1067 HydrophobicContact CG1-CD1 3.97Å; V1003-L1067 HydrophobicContact CG1-CD2 3.78Å; V1003-L1067 HydrophobicContact CG2-CD2 4.11Å; F1042-L1067 HydrophobicContact CB-CD1 3.77Å; F1042-L1067 HydrophobicContact CD1-CD1 3.63Å; F1042-L1067 HydrophobicContact CE1-CD1 4.36Å; F1042-L1067 HydrophobicContact CG-CD1 3.72Å; V1044-L1067 HydrophobicContact CG1-CD2 3.96Å; V1062-L1067 HydrophobicContact CG2-CD1 4.42Å; V1062-L1067 HydrophobicContact CG2-CD2 3.72Å; V1062-L1067 HydrophobicContact CG2-CG 3.84Å; T1063-L1067 PolarHBondContact O-N 2.96Å; T1063-L1067 VanDerWaalsContact O-N 3.11Å; L1065-L1067 VanDerWaalsContact C-N 3.32Å; L1067-L1069 VanDerWaalsContact C-N 3.29Å; L1067-L1069 PolarHBondContact O-N 2.71Å; L1067-F1070 PolarHBondContact O-N 3.09Å; L1067-A1071 HydrophobicContact CD2-CB 3.73Å; L1067-A1071 CarbonylContact O-C 3.6Å; L1067-A1071 WeakPolarHBondContact O-CA 3.48Å; L1067-A1071 PolarHBondContact O-N 2.77Å; L1067-S1072 PolarHBondContact O-N 2.61Å; L1067-I1088 HydrophobicContact CD1-CD1 3.97Å
1068L93.7Very high93.3Very high0 Ų015 Ų150%07%0.074CC..Hα-helixtrans-58.3-42.4-178.3-173.761.8000111.9P1064 L1065 S1072 V1075 V1082 V1084 A1097 I1100 T1101P1064-L1068 WeakPolarHBondContact O-CB 3.35Å; P1064-L1068 PolarHBondContact O-N 3.39Å; L1065-L1068 PolarHBondContact O-N 3.34Å; L1068-S1072 PolarHBondContact O-OG 3.15Å; L1068-V1075 HydrophobicContact CD1-CB 4.49Å; L1068-V1075 HydrophobicContact CD1-CG1 3.75Å; L1068-V1075 HydrophobicContact CD1-CG2 3.85Å; L1068-V1082 HydrophobicContact CD1-CG1 4.46Å; L1068-V1084 HydrophobicContact CD1-CG2 3.91Å; L1068-A1097 HydrophobicContact CD2-CB 4.05Å; L1068-I1100 HydrophobicContact CB-CG2 4.17Å; L1068-I1100 HydrophobicContact CD2-CB 3.97Å; L1068-I1100 HydrophobicContact CD2-CD1 3.99Å; L1068-I1100 HydrophobicContact CD2-CG2 3.89Å; L1068-I1100 HydrophobicContact CG-CB 4.38Å; L1068-I1100 HydrophobicContact CG-CG2 3.85Å; L1068-T1101 HydrophobicContact CD1-CG2 4.19Å
1069L93.2Very high93Very high1 Ų115.9 Ų15.91%0.0058%0.082CC..Hα-helixtrans-73.5-44-178-174.864.1000113.8L1065 L1067 I1100 L1103 R1104 I1135L1065-L1069 VanDerWaalsContact O-CB 3.29Å; L1065-L1069 WeakPolarHBondContact O-CB 3.5Å; L1065-L1069 PolarHBondContact O-N 2.67Å; L1067-L1069 VanDerWaalsContact C-N 3.29Å; L1067-L1069 PolarHBondContact O-N 2.71Å; L1069-I1100 HydrophobicContact CB-CG2 3.9Å; L1069-I1100 HydrophobicContact CD1-CG2 4.11Å; L1069-I1100 WeakPolarHBondContact CD1-O 3.27Å; L1069-L1103 HydrophobicContact CD1-CB 4.19Å; L1069-R1104 HydrophobicContact CD1-CB 4.14Å; L1069-R1104 WeakPolarHBondContact O-CD 3.41Å; L1069-R1104 WeakPolarHBondContact O-CG 3.41Å; L1069-I1135 HydrophobicContact CD2-CB 4.49Å; L1069-I1135 HydrophobicContact CD2-CG1 4.28Å; L1069-I1135 HydrophobicContact CD2-CG2 3.77Å
1070F93.4Very high92.6Very high7 Ų723.1 Ų23.13%0.03112%0.116CC..Hα-helixtrans-126.2-16.8-165.8-78.6-59.6000116.1M870 F874 S993 L994 F997 Q1066 L1067 M1107 I1135M870-F1070 HydrophobicContact CE-CE1 4.5Å; M870-F1070 HydrophobicContact SD-CE1 4.14Å; F874-F1070 HydrophobicContact CE2-CZ 4.45Å; S993-F1070 WeakPolarHBondContact O-CB 3.4Å; L994-F1070 HydrophobicContact CD2-CE1 4.15Å; L994-F1070 HydrophobicContact CD2-CE2 4.35Å; L994-F1070 HydrophobicContact CD2-CZ 3.92Å; F997-F1070 VanDerWaalsContact CA-O 3.31Å; F997-F1070 WeakPolarHBondContact CA-O 3.3Å; F997-F1070 HydrophobicContact CB-CB 3.97Å; F997-F1070 HydrophobicContact CB-CD1 4.09Å; F997-F1070 HydrophobicContact CB-CG 4.34Å; Q1066-F1070 PolarHBondContact O-N 3.38Å; L1067-F1070 PolarHBondContact O-N 3.09Å; F1070-M1107 HydrophobicContact CE1-CG 4.37Å; F1070-I1135 HydrophobicContact CE2-CG2 4.02Å; F1070-I1135 HydrophobicContact CZ-CG2 4.2Å
1071A91.1Very high92.5Very high3 Ų325.3 Ų25.33%0.02513%0.127CC..SBendtrans-130.454.3-17500000111.4A996 Y1000 V1003 L1067A996-A1071 HydrophobicContact CB-CB 3.99Å; Y1000-A1071 VanDerWaalsContact CD2-CA 3.44Å; Y1000-A1071 HydrophobicContact CD2-CB 3.79Å; Y1000-A1071 VanDerWaalsContact CE2-C 3.43Å; Y1000-A1071 WeakPolarHBondContact CE2-O 3.26Å; Y1000-A1071 HydrophobicContact CG-CB 4.48Å; V1003-A1071 HydrophobicContact CG2-CB 4.28Å; L1067-A1071 HydrophobicContact CD2-CB 3.73Å; L1067-A1071 CarbonylContact O-C 3.6Å; L1067-A1071 WeakPolarHBondContact O-CA 3.48Å; L1067-A1071 PolarHBondContact O-N 2.77Å
1072S90.3Very high92.4Very high1 Ų124.8 Ų24.81%0.00712%0.124CC..  trans-138.1159.3174.561.40000110L1067 L1068 D1085 R1104L1067-S1072 PolarHBondContact O-N 2.61Å; L1068-S1072 PolarHBondContact O-OG 3.15Å; S1072-D1085 WeakPolarHBondContact CA-OD2 3.46Å; S1072-R1104 PolarHBondContact O-NH1 3.32Å; S1072-R1104 PolarHBondContact O-NH2 3.32Å; S1072-R1104 VanDerWaalsContact O-NH2 3.09Å; S1072-R1104 PolarHBondContact OG-NH1 2.94Å
1073K85.9Confident92.2Very high99 Ų9927.1 Ų27.143%0.4314%0.136SC..SBendtrans-124.6-39.4167.1-178.6169.9-176.7167.20111.5N311 E838 Y1000 D1085N311-K1073 PolarHBondContact ND2-O 3.32Å; E838-K1073 VanDerWaalsContact OE1-CE 3.28Å; E838-K1073 WeakPolarHBondContact OE1-CE 3.25Å; E838-K1073 IonicContact OE1-NZ 2.76Å; E838-K1073 PolarHBondContact OE1-NZ 2.98Å; E838-K1073 IonicContact OE2-NZ 2.92Å; E838-K1073 PolarHBondContact OE2-NZ 3.01Å; Y1000-K1073 HydrophobicContact CE1-CB 4.34Å; Y1000-K1073 WeakPolarHBondContact OH-CB 3.48Å; Y1000-K1073 PolarHBondContact OH-N 3.23Å; K1073-D1085 WeakPolarHBondContact CA-OD1 3.28Å; K1073-D1085 PolarHBondContact N-OD1 3.45Å; K1073-D1085 PolarHBondContact N-OD2 3.07Å
1074K88.8Confident92Very high81 Ų8127.1 Ų27.135%0.35214%0.137SC..  trans-125123.5-179.7-173.3-175.5175.6-148.10109.8Q1076 V1084 D1085 D1086K1074-Q1076 HydrophobicContact CG-CG 4.41Å; K1074-V1084 WeakPolarHBondContact O-CA 3.18Å; K1074-D1085 PolarHBondContact N-OD1 2.94Å; K1074-D1085 PolarHBondContact O-N 3.25Å; K1074-D1086 WeakPolarHBondContact CD-OD1 3.44Å; K1074-D1086 IonicContact NZ-OD1 2.78Å; K1074-D1086 PolarHBondContact NZ-OD1 3.31Å; K1074-D1086 IonicContact NZ-OD2 2.74Å
1075V92.9Very high91.7Very high0 Ų028.4 Ų28.40%014%0.144CC..EExtended strand (participates in β ladder)trans-124.2121.9177.2-176.40000107.8A309 L310 N311 L1068 V1082 L1083 T1101A309-V1075 CarbonylContact C-O 3.48Å; A309-V1075 WeakPolarHBondContact CA-O 3.19Å; L310-V1075 HydrophobicContact CB-CB 4.3Å; L310-V1075 HydrophobicContact CB-CG1 3.94Å; L310-V1075 HydrophobicContact CD1-CG1 4.01Å; L310-V1075 HydrophobicContact CG-CG1 4.17Å; L310-V1075 PolarHBondContact N-O 3.25Å; N311-V1075 PolarHBondContact OD1-N 2.94Å; L1068-V1075 HydrophobicContact CD1-CB 4.49Å; L1068-V1075 HydrophobicContact CD1-CG1 3.75Å; L1068-V1075 HydrophobicContact CD1-CG2 3.85Å; V1075-V1082 HydrophobicContact CG1-CG1 3.45Å; V1075-V1082 VanDerWaalsContact CG1-CG1 3.45Å; V1075-L1083 WeakPolarHBondContact CA-O 3.43Å; V1075-T1101 HydrophobicContact CB-CG2 4.13Å; V1075-T1101 HydrophobicContact CG1-CG2 4.11Å; V1075-T1101 HydrophobicContact CG2-CG2 3.92Å
1076Q93.6Very high91.3Very high38 Ų3831.6 Ų31.618%0.17816%0.16CC..EExtended strand (participates in β ladder)trans-123.2153.4176.5-62.7-168.4-97.300111P307 V308 K1074 V1082 L1083P307-Q1076 HydrophobicContact CB-CB 4.35Å; P307-Q1076 PolarHBondContact O-NE2 3.49Å; V308-Q1076 CarbonylContact O-C 3.49Å; V308-Q1076 VanDerWaalsContact O-CA 3.24Å; V308-Q1076 WeakPolarHBondContact O-CA 3.42Å; K1074-Q1076 HydrophobicContact CG-CG 4.41Å; Q1076-V1082 CarbonylContact O-C 3.46Å; Q1076-V1082 VanDerWaalsContact O-CA 3.27Å; Q1076-V1082 WeakPolarHBondContact O-CA 3.48Å; Q1076-L1083 PolarHBondContact N-O 2.94Å; Q1076-L1083 PolarHBondContact O-N 3.08Å
1077S93.3Very high90.9Very high1 Ų132.6 Ų32.61%0.00716%0.164CC..EExtended strand (participates in β ladder)trans-136.2132.1177.8-178.10000111.6P307 V308 G1079 I1081 H1094P307-S1077 CarbonylContact C-O 3.5Å; P307-S1077 VanDerWaalsContact CA-O 3.23Å; P307-S1077 WeakPolarHBondContact CA-O 3.35Å; V308-S1077 PolarHBondContact N-O 3Å; V308-S1077 PolarHBondContact O-N 2.93Å; S1077-G1079 VanDerWaalsContact C-N 3.31Å; S1077-G1079 PolarHBondContact OG-N 3.33Å; S1077-G1079 VanDerWaalsContact OG-N 3.09Å; S1077-I1081 WeakPolarHBondContact CA-O 3.16Å; S1077-H1094 WeakPolarHBondContact CB-ND1 3.47Å; S1077-H1094 PolarHBondContact OG-ND1 3.25Å
1078D91.1Very high90.7Very high51 Ų5132.7 Ų32.727%0.27316%0.164SC..  trans-90.24.2167.162.226000112.7P301 P304 Q1080 I1081P301-D1078 VanDerWaalsContact CG-C 3.45Å; P301-D1078 WeakPolarHBondContact CG-O 3.49Å; P304-D1078 HydrophobicContact CB-CB 4.42Å; P304-D1078 WeakPolarHBondContact CB-O 3.29Å; P304-D1078 WeakPolarHBondContact O-CB 3.25Å; D1078-Q1080 WeakPolarHBondContact OD1-CA 3.31Å; D1078-Q1080 PolarHBondContact OD1-N 3.28Å; D1078-I1081 PolarHBondContact N-O 3.33Å; D1078-I1081 PolarHBondContact OD1-N 2.87Å
1079G86.4Confident90.7Very high29 Ų2936 Ų3630%0.29918%0.179SC..SBendtrans94.8-20.8-174.700000114.9S1077S1077-G1079 VanDerWaalsContact C-N 3.31Å; S1077-G1079 PolarHBondContact OG-N 3.33Å; S1077-G1079 VanDerWaalsContact OG-N 3.09Å
1080Q86.5Confident90.8Very high152 Ų15236 Ų3671%0.7118%0.179SC*.SBendtrans-118.2-32.7178.5-60.7-172.510.300113.4D1078D1078-Q1080 WeakPolarHBondContact OD1-CA 3.31Å; D1078-Q1080 PolarHBondContact OD1-N 3.28Å
1081I92.5Very high90.8Very high46 Ų4640.3 Ų40.324%0.23620%0.199CC..  trans-124.7136.1179.6-60.1179000108.3P273 S1077 D1078 K1089 L1090P273-I1081 HydrophobicContact CB-CD1 4.45Å; P273-I1081 HydrophobicContact CG-CD1 4.09Å; S1077-I1081 WeakPolarHBondContact CA-O 3.16Å; D1078-I1081 PolarHBondContact N-O 3.33Å; D1078-I1081 PolarHBondContact OD1-N 2.87Å; I1081-K1089 HydrophobicContact CG2-CB 3.94Å; I1081-K1089 HydrophobicContact CG2-CG 4.3Å; I1081-L1090 WeakPolarHBondContact CA-O 3.34Å
1082V94.4Very high90.9Very high0 Ų040.9 Ų40.90%020%0.202CC..EExtended strand (participates in β ladder)trans-103.3117.7170.9177.60000108.4L310 L1068 V1075 Q1076 V1084 L1090 I1092 A1097L310-V1082 HydrophobicContact CD1-CG1 4.36Å; L310-V1082 HydrophobicContact CD1-CG2 4.32Å; L1068-V1082 HydrophobicContact CD1-CG1 4.46Å; V1075-V1082 HydrophobicContact CG1-CG1 3.45Å; V1075-V1082 VanDerWaalsContact CG1-CG1 3.45Å; Q1076-V1082 CarbonylContact O-C 3.46Å; Q1076-V1082 VanDerWaalsContact O-CA 3.27Å; Q1076-V1082 WeakPolarHBondContact O-CA 3.48Å; V1082-V1084 HydrophobicContact CG1-CG2 4.31Å; V1082-L1090 HydrophobicContact CB-CB 4.45Å; V1082-L1090 PolarHBondContact N-O 3.46Å; V1082-L1090 PolarHBondContact O-N 3.5Å; V1082-I1092 HydrophobicContact CB-CG2 3.89Å; V1082-I1092 HydrophobicContact CG2-CG2 3.59Å; V1082-A1097 HydrophobicContact CG1-CB 4.29Å; V1082-A1097 HydrophobicContact CG2-CB 3.7Å
1083L92.8Very high91Very high48 Ų4842.6 Ų42.625%0.25121%0.213SC..EExtended strand (participates in β ladder)trans-95.1118.1177.7-174.966.6000109.6V1075 Q1076 I1088 K1089V1075-L1083 WeakPolarHBondContact CA-O 3.43Å; Q1076-L1083 PolarHBondContact N-O 2.94Å; Q1076-L1083 PolarHBondContact O-N 3.08Å; L1083-I1088 CarbonylContact C-O 3.59Å; L1083-I1088 WeakPolarHBondContact CA-O 3.24Å; L1083-K1089 HydrophobicContact CD1-CG 3.85Å
1084V91.1Very high91.3Very high2 Ų238 Ų381%0.01219%0.194CC..EExtended strand (participates in β ladder)trans-105.4127.6177.9-175.50000109.7L1068 K1074 V1082 D1086 W1087 I1088 L1090L1068-V1084 HydrophobicContact CD1-CG2 3.91Å; K1074-V1084 WeakPolarHBondContact O-CA 3.18Å; V1082-V1084 HydrophobicContact CG1-CG2 4.31Å; V1084-D1086 VanDerWaalsContact C-N 3.26Å; V1084-D1086 PolarHBondContact O-N 3.18Å; V1084-W1087 PolarHBondContact O-N 3.31Å; V1084-W1087 VanDerWaalsContact O-N 3.13Å; V1084-I1088 HydrophobicContact CB-CB 4.18Å; V1084-I1088 PolarHBondContact N-O 3.17Å; V1084-I1088 PolarHBondContact O-N 3.39Å; V1084-L1090 HydrophobicContact CG2-CD1 4.12Å
1085D88.8Confident91.5Very high27 Ų2738 Ų3814%0.14420%0.195CC..THydrogen-bonded Turntrans49.140.4179.7-66.9-18.9000114.4Y1000 S1072 K1073 K1074 W1087Y1000-D1085 VanDerWaalsContact CE2-OD2 3.29Å; Y1000-D1085 WeakPolarHBondContact CE2-OD2 3.38Å; Y1000-D1085 PolarHBondContact OH-OD2 3.31Å; S1072-D1085 WeakPolarHBondContact CA-OD2 3.46Å; K1073-D1085 WeakPolarHBondContact CA-OD1 3.28Å; K1073-D1085 PolarHBondContact N-OD1 3.45Å; K1073-D1085 PolarHBondContact N-OD2 3.07Å; K1074-D1085 PolarHBondContact N-OD1 2.94Å; K1074-D1085 PolarHBondContact O-N 3.25Å; D1085-W1087 PolarHBondContact O-N 3.05Å; D1085-W1087 VanDerWaalsContact O-N 3.13Å
1086D86.4Confident91.4Very high68 Ų6838.2 Ų38.236%0.36420%0.196SC..THydrogen-bonded Turntrans62.85.3-178.3-65.6-9.8000116K265 K1074 V1084K265-D1086 IonicContact NZ-OD2 2.89Å; K265-D1086 PolarHBondContact NZ-OD2 3.18Å; K1074-D1086 WeakPolarHBondContact CD-OD1 3.44Å; K1074-D1086 IonicContact NZ-OD1 2.78Å; K1074-D1086 PolarHBondContact NZ-OD1 3.31Å; K1074-D1086 IonicContact NZ-OD2 2.74Å; V1084-D1086 VanDerWaalsContact C-N 3.26Å; V1084-D1086 PolarHBondContact O-N 3.18Å
1087W87.9Confident91.4Very high26 Ų2636.4 Ų36.410%0.09819%0.188CC..THydrogen-bonded Turntrans-138.8-35.5-174.682.8-67.8000117.1V271 V1003 L1013 T1014 T1015 V1084 D1085 K1089V271-W1087 HydrophobicContact CG2-CE3 3.8Å; V271-W1087 HydrophobicContact CG2-CZ3 3.81Å; V1003-W1087 HydrophobicContact CG1-CZ2 4.22Å; L1013-W1087 HydrophobicContact CB-CZ3 4.22Å; T1014-W1087 WeakPolarHBondContact O-CZ3 3.4Å; T1015-W1087 VanDerWaalsContact CA-CE2 3.5Å; V1084-W1087 PolarHBondContact O-N 3.31Å; V1084-W1087 VanDerWaalsContact O-N 3.13Å; D1085-W1087 PolarHBondContact O-N 3.05Å; D1085-W1087 VanDerWaalsContact O-N 3.13Å; W1087-K1089 PolarHBondContact O-N 3.42Å
1088I90.8Very high91.4Very high6 Ų636.5 Ų36.53%0.03119%0.189CC..EExtended strand (participates in β ladder)trans-85.3117.7179.4-70.3162.7000109.1V1003 F1042 L1067 L1083 V1084 L1090V1003-I1088 HydrophobicContact CG1-CD1 4.1Å; F1042-I1088 HydrophobicContact CD1-CD1 4.43Å; F1042-I1088 HydrophobicContact CE1-CD1 4.28Å; F1042-I1088 HydrophobicContact CE1-CG1 4.17Å; F1042-I1088 HydrophobicContact CE1-CG2 3.8Å; F1042-I1088 HydrophobicContact CZ-CG2 4.05Å; L1067-I1088 HydrophobicContact CD1-CD1 3.97Å; L1083-I1088 CarbonylContact C-O 3.59Å; L1083-I1088 WeakPolarHBondContact CA-O 3.24Å; V1084-I1088 HydrophobicContact CB-CB 4.18Å; V1084-I1088 PolarHBondContact N-O 3.17Å; V1084-I1088 PolarHBondContact O-N 3.39Å; I1088-L1090 HydrophobicContact CG2-CD2 3.69Å; I1088-L1090 HydrophobicContact CG2-CG 3.95Å
1089K93.1Very high91.5Very high69 Ų6934.1 Ų34.130%0.318%0.176SC..EExtended strand (participates in β ladder)trans-96.8118175.6-64.8175-171.9173.70109.6P273 Y274 I1081 L1083 W1087P273-K1089 WeakPolarHBondContact CA-O 3.26Å; P273-K1089 HydrophobicContact CB-CB 4.21Å; P273-K1089 HydrophobicContact CG-CB 4.21Å; P273-K1089 HydrophobicContact CG-CD 4.29Å; Y274-K1089 PolarHBondContact N-O 2.87Å; I1081-K1089 HydrophobicContact CG2-CB 3.94Å; I1081-K1089 HydrophobicContact CG2-CG 4.3Å; L1083-K1089 HydrophobicContact CD1-CG 3.85Å; W1087-K1089 PolarHBondContact O-N 3.42Å
1090L94.7Very high91.9Very high2 Ų232.8 Ų32.81%0.0116%0.162CC..EExtended strand (participates in β ladder)trans-110.8126.8175-57.9-177.9000109.6Y274 V276 F1042 P1064 I1081 V1082 V1084 I1088 I1092Y274-L1090 WeakPolarHBondContact O-CA 3.41Å; V276-L1090 HydrophobicContact CG2-CB 4.14Å; V276-L1090 HydrophobicContact CG2-CD2 4.23Å; F1042-L1090 HydrophobicContact CE2-CD2 4.37Å; F1042-L1090 HydrophobicContact CZ-CD2 4.04Å; P1064-L1090 HydrophobicContact CB-CD1 4.08Å; P1064-L1090 HydrophobicContact CB-CD2 3.71Å; I1081-L1090 WeakPolarHBondContact CA-O 3.34Å; V1082-L1090 HydrophobicContact CB-CB 4.45Å; V1082-L1090 PolarHBondContact N-O 3.46Å; V1082-L1090 PolarHBondContact O-N 3.5Å; V1084-L1090 HydrophobicContact CG2-CD1 4.12Å; I1088-L1090 HydrophobicContact CG2-CD2 3.69Å; I1088-L1090 HydrophobicContact CG2-CG 3.95Å; L1090-I1092 HydrophobicContact CB-CG2 4.11Å; L1090-I1092 PolarHBondContact O-N 3.15Å
1091Q94.9Very high92.1Very high98 Ų9825.8 Ų25.846%0.45813%0.13SC..EExtended strand (participates in β ladder)trans-89.899.5166.9-176.9-176.638.300107.7Y274 V276Y274-Q1091 PolarHBondContact O-N 3.48Å; V276-Q1091 PolarHBondContact N-O 2.94Å
1092I93.8Very high92.1Very high15 Ų1523.6 Ų23.68%0.07712%0.119CC..  trans-146.7154-177.6-173.5169.6000107.8V276 L278 L1065 V1082 L1090 A1097 I1100V276-I1092 HydrophobicContact CB-CB 4.15Å; V276-I1092 HydrophobicContact CB-CD1 4.33Å; V276-I1092 HydrophobicContact CB-CG1 4.4Å; V276-I1092 HydrophobicContact CG1-CD1 4.25Å; V276-I1092 HydrophobicContact CG2-CB 4.22Å; L278-I1092 HydrophobicContact CD1-CD1 4.1Å; L1065-I1092 HydrophobicContact CD2-CD1 3.94Å; V1082-I1092 HydrophobicContact CB-CG2 3.89Å; V1082-I1092 HydrophobicContact CG2-CG2 3.59Å; L1090-I1092 HydrophobicContact CB-CG2 4.11Å; L1090-I1092 PolarHBondContact O-N 3.15Å; I1092-A1097 HydrophobicContact CG2-CB 4.06Å; I1092-I1100 HydrophobicContact CD1-CD1 4.39Å
1093S92.3Very high92.1Very high36 Ų3623.6 Ų23.625%0.25212%0.119SC..  trans-58.6140.7173.550.40000111.2E283 E1095 A1096 A1097E283-S1093 PolarHBondContact OE1-OG 3.31Å; S1093-E1095 VanDerWaalsContact C-N 3.3Å; S1093-E1095 PolarHBondContact O-N 3.4Å; S1093-A1096 PolarHBondContact O-N 3.24Å; S1093-A1096 WeakPolarHBondContact OG-CB 3.41Å; S1093-A1097 WeakPolarHBondContact O-CB 3.37Å; S1093-A1097 PolarHBondContact O-N 3.44Å; S1093-A1097 VanDerWaalsContact O-N 3.11Å
1094H92.4Very high92Very high3 Ų323.3 Ų23.31%0.01411%0.114CC..Hα-helixtrans-58.9-45.7179.2173.192.8000110.7L298 P299 P300 L310 S1077 A1097 A1098L298-H1094 PolarHBondContact O-NE2 3.06Å; P299-H1094 VanDerWaalsContact C-NE2 3.32Å; P299-H1094 PolarHBondContact O-NE2 3.21Å; P300-H1094 HydrophobicContact CB-CB 4.42Å; L310-H1094 WeakPolarHBondContact CD2-CE1 3.23Å; S1077-H1094 WeakPolarHBondContact CB-ND1 3.47Å; S1077-H1094 PolarHBondContact OG-ND1 3.25Å; H1094-A1097 PolarHBondContact O-N 3.19Å; H1094-A1098 WeakPolarHBondContact O-CB 3.43Å; H1094-A1098 PolarHBondContact O-N 3.42Å
1095E91.4Very high92Very high82 Ų8223.5 Ų23.538%0.38312%0.116SC..Hα-helixtrans-63.6-45.5-177.3-60.473.8-164.400111.4S1093 A1098 C1099S1093-E1095 VanDerWaalsContact C-N 3.3Å; S1093-E1095 PolarHBondContact O-N 3.4Å; E1095-A1098 PolarHBondContact O-N 3.39Å; E1095-C1099 PolarHBondContact O-N 3.39Å; E1095-C1099 PolarHBondContact O-SG 3.42Å
1096A92.4Very high92.2Very high3 Ų322.5 Ų22.53%0.02511%0.112CC..Hα-helixtrans-68.2-38178.500000111.7L278 E283 L286 S1093 C1099 I1100L278-A1096 HydrophobicContact CD2-CB 3.85Å; E283-A1096 HydrophobicContact CG-CB 4.09Å; L286-A1096 HydrophobicContact CD1-CB 4.48Å; S1093-A1096 PolarHBondContact O-N 3.24Å; S1093-A1096 WeakPolarHBondContact OG-CB 3.41Å; A1096-C1099 PolarHBondContact O-N 2.96Å; A1096-I1100 WeakPolarHBondContact O-CD1 3.28Å; A1096-I1100 VanDerWaalsContact O-CG1 3.24Å; A1096-I1100 WeakPolarHBondContact O-CG1 3.25Å; A1096-I1100 PolarHBondContact O-N 3Å
1097A93.4Very high92.6Very high0 Ų019.3 Ų19.30%010%0.095CC..Hα-helixtrans-63.5-42.6175.400000112L310 L1068 V1082 I1092 S1093 H1094 I1100 T1101L310-A1097 HydrophobicContact CD1-CB 3.7Å; L1068-A1097 HydrophobicContact CD2-CB 4.05Å; V1082-A1097 HydrophobicContact CG1-CB 4.29Å; V1082-A1097 HydrophobicContact CG2-CB 3.7Å; I1092-A1097 HydrophobicContact CG2-CB 4.06Å; S1093-A1097 WeakPolarHBondContact O-CB 3.37Å; S1093-A1097 PolarHBondContact O-N 3.44Å; S1093-A1097 VanDerWaalsContact O-N 3.11Å; H1094-A1097 PolarHBondContact O-N 3.19Å; A1097-I1100 PolarHBondContact O-N 3.38Å; A1097-T1101 PolarHBondContact O-N 2.88Å; A1097-T1101 PolarHBondContact O-OG1 2.92Å
1098A92.7Very high92.8Very high4 Ų419.7 Ų19.73%0.03310%0.097CC..Hα-helixtrans-67.1-34.5175.200000112.8I297 L310 H1094 E1095 T1101 G1102I297-A1098 HydrophobicContact CB-CB 4.43Å; I297-A1098 HydrophobicContact CD1-CB 4.12Å; I297-A1098 HydrophobicContact CG1-CB 4.14Å; I297-A1098 HydrophobicContact CG2-CB 3.56Å; L310-A1098 HydrophobicContact CD1-CB 4.41Å; L310-A1098 HydrophobicContact CD2-CB 4.41Å; H1094-A1098 WeakPolarHBondContact O-CB 3.43Å; H1094-A1098 PolarHBondContact O-N 3.42Å; E1095-A1098 PolarHBondContact O-N 3.39Å; A1098-T1101 WeakPolarHBondContact CA-OG1 3.22Å; A1098-T1101 PolarHBondContact O-OG1 3.38Å; A1098-G1102 PolarHBondContact O-N 3.15Å
1099C93.9Very high92.9Very high1 Ų120.3 Ų20.31%0.00710%0.104CC..Hα-helixtrans-62.2-43.8170.2-66.80000111.5L286 I290 I297 E1095 A1096 G1102 L1103L286-C1099 HydrophobicContact CB-CB 3.87Å; L286-C1099 HydrophobicContact CD2-CB 4.44Å; I290-C1099 WeakPolarHBondContact CD1-O 3.49Å; I290-C1099 HydrophobicContact CG1-CB 3.88Å; I297-C1099 HydrophobicContact CD1-CB 4.22Å; I297-C1099 WeakPolarHBondContact CD1-SG 3.48Å; E1095-C1099 PolarHBondContact O-N 3.39Å; E1095-C1099 PolarHBondContact O-SG 3.42Å; A1096-C1099 PolarHBondContact O-N 2.96Å; C1099-G1102 PolarHBondContact O-N 3.19Å; C1099-L1103 WeakPolarHBondContact O-CG 3.49Å; C1099-L1103 PolarHBondContact O-N 2.6Å
1100I93.6Very high93Very high1 Ų117.2 Ų17.21%0.0059%0.09CC..Hα-helixtrans-67.5-40-178.6-66.8160.6000111.2L286 L1065 L1068 L1069 I1092 A1096 A1097 G1102 L1103 R1104 I1138L286-I1100 HydrophobicContact CD1-CG1 4.3Å; L286-I1100 HydrophobicContact CD2-CG1 4.44Å; L1065-I1100 HydrophobicContact CD2-CD1 3.77Å; L1068-I1100 HydrophobicContact CB-CG2 4.17Å; L1068-I1100 HydrophobicContact CD2-CB 3.97Å; L1068-I1100 HydrophobicContact CD2-CD1 3.99Å; L1068-I1100 HydrophobicContact CD2-CG2 3.89Å; L1068-I1100 HydrophobicContact CG-CB 4.38Å; L1068-I1100 HydrophobicContact CG-CG2 3.85Å; L1069-I1100 HydrophobicContact CB-CG2 3.9Å; L1069-I1100 HydrophobicContact CD1-CG2 4.11Å; L1069-I1100 WeakPolarHBondContact CD1-O 3.27Å; I1092-I1100 HydrophobicContact CD1-CD1 4.39Å; A1096-I1100 WeakPolarHBondContact O-CD1 3.28Å; A1096-I1100 VanDerWaalsContact O-CG1 3.24Å; A1096-I1100 WeakPolarHBondContact O-CG1 3.25Å; A1096-I1100 PolarHBondContact O-N 3Å; A1097-I1100 PolarHBondContact O-N 3.38Å; I1100-G1102 VanDerWaalsContact C-N 3.34Å; I1100-L1103 PolarHBondContact O-N 3.15Å; I1100-R1104 PolarHBondContact O-N 3.46Å; I1100-I1138 HydrophobicContact CG1-CD1 4.46Å
1101T91.8Very high93Very high5 Ų517.1 Ų17.13%0.0319%0.09CC..Hα-helixtrans-68.6-31.7173.154.40000112.4L310 L1068 V1075 A1097 A1098 R1104 A1105L310-T1101 HydrophobicContact CB-CG2 4.35Å; L310-T1101 WeakPolarHBondContact O-CB 3.47Å; L310-T1101 PolarHBondContact O-OG1 3.21Å; L1068-T1101 HydrophobicContact CD1-CG2 4.19Å; V1075-T1101 HydrophobicContact CB-CG2 4.13Å; V1075-T1101 HydrophobicContact CG1-CG2 4.11Å; V1075-T1101 HydrophobicContact CG2-CG2 3.92Å; A1097-T1101 PolarHBondContact O-N 2.88Å; A1097-T1101 PolarHBondContact O-OG1 2.92Å; A1098-T1101 WeakPolarHBondContact CA-OG1 3.22Å; A1098-T1101 PolarHBondContact O-OG1 3.38Å; T1101-R1104 WeakPolarHBondContact O-CB 3.23Å; T1101-R1104 PolarHBondContact O-N 2.98Å; T1101-A1105 PolarHBondContact O-N 3.48Å
1102G91.9Very high92.9Very high0 Ų012.8 Ų12.80%07%0.07CC..Hα-helixtrans-65.4-43.2171.900000113.5A1098 C1099 I1100 R1104 A1105 A1106A1098-G1102 PolarHBondContact O-N 3.15Å; C1099-G1102 PolarHBondContact O-N 3.19Å; I1100-G1102 VanDerWaalsContact C-N 3.34Å; G1102-R1104 PolarHBondContact O-N 3.1Å; G1102-A1105 PolarHBondContact O-N 3.25Å; G1102-A1106 PolarHBondContact O-N 2.86Å
1103L93.5Very high92.9Very high0 Ų016.3 Ų16.30%09%0.086CC..Hα-helixtrans-60.3-33.7175.1-74.4175.4000112.9L286 I289 I290 L293 L1069 C1099 I1100 M1107 M1131 M1134 I1138L286-L1103 HydrophobicContact CD2-CD1 3.55Å; I289-L1103 HydrophobicContact CG1-CD2 4.47Å; I289-L1103 HydrophobicContact CG2-CD2 3.96Å; I290-L1103 HydrophobicContact CD1-CD2 4.4Å; I290-L1103 HydrophobicContact CD1-CG 4.21Å; L293-L1103 HydrophobicContact CD1-CD2 4.02Å; L1069-L1103 HydrophobicContact CD1-CB 4.19Å; C1099-L1103 WeakPolarHBondContact O-CG 3.49Å; C1099-L1103 PolarHBondContact O-N 2.6Å; I1100-L1103 PolarHBondContact O-N 3.15Å; L1103-M1107 WeakPolarHBondContact O-CB 3.37Å; L1103-M1107 PolarHBondContact O-N 3.32Å; L1103-M1131 HydrophobicContact CD2-CG 3.74Å; L1103-M1134 HydrophobicContact CD1-CG 3.88Å; L1103-I1138 HydrophobicContact CD1-CD1 3.38Å
1104R91.6Very high93Very high42 Ų4214.6 Ų14.616%0.1587%0.074CC..Hα-helixtrans-62.2-48.3171.4177.5-166.9174.51552.1111.5L1069 S1072 I1100 T1101 G1102 A1106 M1107 E1108L1069-R1104 HydrophobicContact CD1-CB 4.14Å; L1069-R1104 WeakPolarHBondContact O-CD 3.41Å; L1069-R1104 WeakPolarHBondContact O-CG 3.41Å; S1072-R1104 PolarHBondContact O-NH1 3.32Å; S1072-R1104 PolarHBondContact O-NH2 3.32Å; S1072-R1104 VanDerWaalsContact O-NH2 3.09Å; S1072-R1104 PolarHBondContact OG-NH1 2.94Å; I1100-R1104 PolarHBondContact O-N 3.46Å; T1101-R1104 WeakPolarHBondContact O-CB 3.23Å; T1101-R1104 PolarHBondContact O-N 2.98Å; G1102-R1104 PolarHBondContact O-N 3.1Å; R1104-A1106 VanDerWaalsContact C-N 3.25Å; R1104-A1106 PolarHBondContact O-N 3.26Å; R1104-M1107 PolarHBondContact O-N 3.01Å; R1104-M1107 VanDerWaalsContact O-N 3.15Å; R1104-E1108 HydrophobicContact CG-CG 4.49Å; R1104-E1108 IonicContact CZ-OE1 2.76Å; R1104-E1108 IonicContact NE-OE1 4Å; R1104-E1108 PolarHBondContact NE-OE1 3.05Å; R1104-E1108 IonicContact NH2-OE1 3.92Å; R1104-E1108 PolarHBondContact O-N 3.48Å
1105A90.7Very high93.1Very high5 Ų514.8 Ų14.84%0.0418%0.075CC..Hα-helixtrans-61.6-36.9-17900000111.5I312 L315 T1101 G1102 E1108 A1109I312-A1105 HydrophobicContact CB-CB 4.11Å; I312-A1105 HydrophobicContact CG2-CB 4.41Å; L315-A1105 HydrophobicContact CD1-CB 3.84Å; L315-A1105 HydrophobicContact CG-CB 3.96Å; T1101-A1105 PolarHBondContact O-N 3.48Å; G1102-A1105 PolarHBondContact O-N 3.25Å; A1105-E1108 PolarHBondContact O-N 3.41Å; A1105-A1109 PolarHBondContact O-N 3Å
1106A93.5Very high93.2Very high7 Ų716.1 Ų16.16%0.0588%0.08CC..Hα-helixtrans-68.2-41.1173.400000112.7L293 L295 L315 G1102 R1104 E1108 A1109 L1110 M1131L293-A1106 HydrophobicContact CD1-CB 3.97Å; L293-A1106 HydrophobicContact CD2-CB 4.4Å; L295-A1106 HydrophobicContact CD1-CB 4.27Å; L315-A1106 HydrophobicContact CD1-CB 4.27Å; G1102-A1106 PolarHBondContact O-N 2.86Å; R1104-A1106 VanDerWaalsContact C-N 3.25Å; R1104-A1106 PolarHBondContact O-N 3.26Å; A1106-E1108 PolarHBondContact O-N 2.91Å; A1106-A1109 WeakPolarHBondContact O-CB 3.07Å; A1106-A1109 PolarHBondContact O-N 3.13Å; A1106-L1110 PolarHBondContact O-N 2.87Å; A1106-M1131 HydrophobicContact CB-SD 3.36Å; A1106-M1131 WeakPolarHBondContact CB-SD 3.37Å
1107M93.9Very high93.2Very high1 Ų122.2 Ų22.21%0.00511%0.108CC..Hα-helixtrans-62.6-39.7172.5-176.166.2-158.400112.3M870 I873 F874 F1070 L1103 R1104 A1109 L1110 V1111 M1131 L1132 I1135M870-M1107 HydrophobicContact CB-CE 4Å; M870-M1107 HydrophobicContact CE-CG 4.46Å; M870-M1107 HydrophobicContact CG-CE 3.79Å; I873-M1107 HydrophobicContact CB-CE 4.14Å; I873-M1107 HydrophobicContact CD1-CE 3.83Å; I873-M1107 HydrophobicContact CG2-CE 3.95Å; F874-M1107 HydrophobicContact CD2-CE 4.09Å; F874-M1107 HydrophobicContact CE2-CE 3.54Å; F874-M1107 HydrophobicContact CE2-SD 3.71Å; F874-M1107 HydrophobicContact CZ-CE 4.36Å; F874-M1107 HydrophobicContact CZ-SD 3.96Å; F1070-M1107 HydrophobicContact CE1-CG 4.37Å; L1103-M1107 WeakPolarHBondContact O-CB 3.37Å; L1103-M1107 PolarHBondContact O-N 3.32Å; R1104-M1107 PolarHBondContact O-N 3.01Å; R1104-M1107 VanDerWaalsContact O-N 3.15Å; M1107-A1109 VanDerWaalsContact C-N 3.33Å; M1107-L1110 PolarHBondContact O-N 3.12Å; M1107-V1111 HydrophobicContact CE-CG2 4.11Å; M1107-V1111 WeakPolarHBondContact O-CG2 3.23Å; M1107-V1111 PolarHBondContact O-N 3.29Å; M1107-M1131 HydrophobicContact SD-CE 4.45Å; M1107-L1132 HydrophobicContact SD-CD2 3.73Å; M1107-I1135 HydrophobicContact CB-CD1 4.16Å; M1107-I1135 HydrophobicContact CG-CD1 4.45Å; M1107-I1135 HydrophobicContact SD-CD1 4.36Å
1108E91.9Very high93.2Very high33 Ų3323 Ų2315%0.15411%0.113CC..Hα-helixtrans-63.5-38.3174.3-73.8-178.1-161.500111.3R1104 A1105 A1106 V1111 V1112R1104-E1108 HydrophobicContact CG-CG 4.49Å; R1104-E1108 IonicContact CZ-OE1 2.76Å; R1104-E1108 IonicContact NE-OE1 4Å; R1104-E1108 PolarHBondContact NE-OE1 3.05Å; R1104-E1108 IonicContact NH2-OE1 3.92Å; R1104-E1108 PolarHBondContact O-N 3.48Å; A1105-E1108 PolarHBondContact O-N 3.41Å; A1106-E1108 PolarHBondContact O-N 2.91Å; E1108-V1111 PolarHBondContact O-N 3.26Å; E1108-V1112 PolarHBondContact O-N 2.83Å
1109A93Very high93.1Very high20 Ų2025.5 Ų25.517%0.16513%0.134CC..Hα-helixtrans-66.8-41.6173.900000113.2L315 A316 A1105 A1106 M1107 V1111 V1112 E1113L315-A1109 HydrophobicContact CB-CB 4.08Å; A316-A1109 HydrophobicContact CB-CB 3.65Å; A1105-A1109 PolarHBondContact O-N 3Å; A1106-A1109 WeakPolarHBondContact O-CB 3.07Å; A1106-A1109 PolarHBondContact O-N 3.13Å; M1107-A1109 VanDerWaalsContact C-N 3.33Å; A1109-V1111 VanDerWaalsContact C-N 3.27Å; A1109-V1111 PolarHBondContact O-N 2.83Å; A1109-V1112 WeakPolarHBondContact O-CA 3.48Å; A1109-V1112 WeakPolarHBondContact O-CB 3.43Å; A1109-V1112 PolarHBondContact O-N 2.82Å; A1109-E1113 PolarHBondContact O-N 2.78Å
1110L94.9Very high93Very high3 Ų327 Ų272%0.01614%0.141CC..Hα-helixtrans-61.9-35.1174.4-179.357.4000111.8I873 A1106 M1107 V1112 E1113 V1114 L1124 N1128 M1131 L1132I873-L1110 HydrophobicContact CD1-CG 4.44Å; I873-L1110 HydrophobicContact CG2-CD2 3.73Å; I873-L1110 HydrophobicContact CG2-CG 4.38Å; A1106-L1110 PolarHBondContact O-N 2.87Å; M1107-L1110 PolarHBondContact O-N 3.12Å; L1110-V1112 VanDerWaalsContact C-N 3.34Å; L1110-V1112 PolarHBondContact O-N 2.98Å; L1110-E1113 PolarHBondContact O-N 3.5Å; L1110-V1114 HydrophobicContact CD1-CG2 3.82Å; L1110-V1114 HydrophobicContact CG-CG2 4.14Å; L1110-V1114 VanDerWaalsContact O-CB 3.28Å; L1110-V1114 WeakPolarHBondContact O-CB 3.41Å; L1110-V1114 WeakPolarHBondContact O-CG2 3.44Å; L1110-V1114 PolarHBondContact O-N 2.78Å; L1110-L1124 HydrophobicContact CD1-CD2 3.83Å; L1110-N1128 HydrophobicContact CD2-CB 4.45Å; L1110-M1131 HydrophobicContact CB-CE 4.3Å; L1110-M1131 HydrophobicContact CD2-CE 3.65Å; L1110-L1132 HydrophobicContact CD2-CD1 4.23Å; L1110-L1132 HydrophobicContact CD2-CD2 4.09Å; L1110-L1132 HydrophobicContact CD2-CG 4.29Å
1111V95.1Very high93Very high1 Ų127.1 Ų27.11%0.00614%0.142CC..Hα-helixtrans-63.6-38.3171.8171.30000111.8L851 I869 M870 I873 M1107 E1108 A1109 T1115L851-V1111 HydrophobicContact CD2-CG1 4.46Å; I869-V1111 HydrophobicContact CG2-CG1 4.3Å; M870-V1111 HydrophobicContact CE-CG2 3.99Å; M870-V1111 HydrophobicContact CG-CG2 3.83Å; I873-V1111 HydrophobicContact CD1-CG2 3.75Å; M1107-V1111 HydrophobicContact CE-CG2 4.11Å; M1107-V1111 WeakPolarHBondContact O-CG2 3.23Å; M1107-V1111 PolarHBondContact O-N 3.29Å; E1108-V1111 PolarHBondContact O-N 3.26Å; A1109-V1111 VanDerWaalsContact C-N 3.27Å; A1109-V1111 PolarHBondContact O-N 2.83Å; V1111-T1115 HydrophobicContact CG1-CG2 4.29Å; V1111-T1115 WeakPolarHBondContact O-CB 3.42Å; V1111-T1115 VanDerWaalsContact O-CG2 3.27Å; V1111-T1115 WeakPolarHBondContact O-CG2 3.41Å; V1111-T1115 PolarHBondContact O-N 3.44Å; V1111-T1115 PolarHBondContact O-OG1 3.13Å
1112V93.9Very high92.9Very high6 Ų629.7 Ų29.74%0.03616%0.16CC..Hα-helixtrans-64-40.2175.3171.60000111.5A316 F318 E1108 A1109 L1110 T1115 K1116A316-V1112 HydrophobicContact CB-CB 4.15Å; A316-V1112 HydrophobicContact CB-CG1 4.09Å; F318-V1112 HydrophobicContact CD1-CG1 3.97Å; F318-V1112 HydrophobicContact CD2-CG2 4.43Å; F318-V1112 HydrophobicContact CE1-CB 4.34Å; F318-V1112 HydrophobicContact CE1-CG1 3.8Å; F318-V1112 HydrophobicContact CE2-CG1 4.49Å; F318-V1112 HydrophobicContact CE2-CG2 3.92Å; F318-V1112 HydrophobicContact CG-CG1 4.4Å; F318-V1112 HydrophobicContact CZ-CB 4.17Å; F318-V1112 HydrophobicContact CZ-CG1 4.08Å; F318-V1112 HydrophobicContact CZ-CG2 3.97Å; E1108-V1112 PolarHBondContact O-N 2.83Å; A1109-V1112 WeakPolarHBondContact O-CA 3.48Å; A1109-V1112 WeakPolarHBondContact O-CB 3.43Å; A1109-V1112 PolarHBondContact O-N 2.82Å; L1110-V1112 VanDerWaalsContact C-N 3.34Å; L1110-V1112 PolarHBondContact O-N 2.98Å; V1112-T1115 PolarHBondContact O-OG1 2.67Å; V1112-K1116 WeakPolarHBondContact O-CG 3.39Å; V1112-K1116 PolarHBondContact O-N 3.23Å
1113E93.2Very high92.8Very high90 Ų9037.8 Ų37.842%0.42120%0.198SC..Hα-helixtrans-70-51.9176.9-175.8171.6-158.100112.1A1109 L1110 T1115 K1116 Q1117 I1120A1109-E1113 PolarHBondContact O-N 2.78Å; L1110-E1113 PolarHBondContact O-N 3.5Å; E1113-T1115 VanDerWaalsContact C-N 3.27Å; E1113-T1115 PolarHBondContact O-N 3.13Å; E1113-K1116 WeakPolarHBondContact O-CB 3.44Å; E1113-K1116 PolarHBondContact O-N 2.81Å; E1113-Q1117 PolarHBondContact O-N 2.89Å; E1113-Q1117 VanDerWaalsContact O-N 3.09Å; E1113-I1120 VanDerWaalsContact CD-CD1 3.46Å; E1113-I1120 HydrophobicContact CG-CD1 3.78Å; E1113-I1120 VanDerWaalsContact OE1-CD1 3.28Å; E1113-I1120 WeakPolarHBondContact OE1-CD1 3.09Å
1114V95Very high92.7Very high0 Ų038.7 Ų38.70%020%0.203CC..Hα-helixtrans-58.4-37.9179.2167.30000111.7I873 F969 L1110 K1116 Q1117 P1118 I1120 I1121I873-V1114 HydrophobicContact CD1-CB 4.07Å; I873-V1114 HydrophobicContact CD1-CG1 4.08Å; I873-V1114 HydrophobicContact CD1-CG2 3.93Å; I873-V1114 HydrophobicContact CG1-CB 4.32Å; I873-V1114 HydrophobicContact CG1-CG1 3.95Å; I873-V1114 HydrophobicContact CG1-CG2 3.96Å; F969-V1114 HydrophobicContact CE1-CG1 3.88Å; F969-V1114 HydrophobicContact CZ-CG1 4.36Å; L1110-V1114 HydrophobicContact CD1-CG2 3.82Å; L1110-V1114 HydrophobicContact CG-CG2 4.14Å; L1110-V1114 VanDerWaalsContact O-CB 3.28Å; L1110-V1114 WeakPolarHBondContact O-CB 3.41Å; L1110-V1114 WeakPolarHBondContact O-CG2 3.44Å; L1110-V1114 PolarHBondContact O-N 2.78Å; V1114-K1116 VanDerWaalsContact C-N 3.32Å; V1114-K1116 PolarHBondContact O-N 2.75Å; V1114-Q1117 CarbonylContact O-C 3.54Å; V1114-Q1117 PolarHBondContact O-N 3.5Å; V1114-P1118 WeakPolarHBondContact O-CA 3.32Å; V1114-P1118 VanDerWaalsContact O-CD 3.28Å; V1114-P1118 WeakPolarHBondContact O-CD 3.27Å; V1114-P1118 VanDerWaalsContact O-CG 3.28Å; V1114-P1118 WeakPolarHBondContact O-CG 3.46Å; V1114-I1120 HydrophobicContact CB-CG2 4.27Å; V1114-I1120 HydrophobicContact CG2-CG2 3.6Å; V1114-I1121 HydrophobicContact CG1-CD1 3.68Å; V1114-I1121 HydrophobicContact CG1-CG1 3.8Å; V1114-I1121 HydrophobicContact CG2-CG1 4.04Å
1115T94.1Very high92.6Very high6 Ų639.6 Ų39.64%0.03721%0.211CC..Hα-helixtrans-75.9-17178.252.80000114.2F318 P850 L851 I854 I869 V1111 V1112 E1113F318-T1115 VanDerWaalsContact CZ-OG1 3.32Å; F318-T1115 WeakPolarHBondContact CZ-OG1 3.5Å; P850-T1115 WeakPolarHBondContact CB-O 3.47Å; L851-T1115 HydrophobicContact CB-CG2 4.02Å; L851-T1115 HydrophobicContact CD1-CG2 3.98Å; I854-T1115 HydrophobicContact CD1-CG2 4.01Å; I869-T1115 HydrophobicContact CD1-CG2 4.05Å; I869-T1115 HydrophobicContact CG2-CG2 3.88Å; V1111-T1115 HydrophobicContact CG1-CG2 4.29Å; V1111-T1115 WeakPolarHBondContact O-CB 3.42Å; V1111-T1115 VanDerWaalsContact O-CG2 3.27Å; V1111-T1115 WeakPolarHBondContact O-CG2 3.41Å; V1111-T1115 PolarHBondContact O-N 3.44Å; V1111-T1115 PolarHBondContact O-OG1 3.13Å; V1112-T1115 PolarHBondContact O-OG1 2.67Å; E1113-T1115 VanDerWaalsContact C-N 3.27Å; E1113-T1115 PolarHBondContact O-N 3.13Å
1116K92.2Very high92.8Very high111 Ų11143.1 Ų43.148%0.48323%0.233SC..Hα-helixtrans-77-38.3166.8-68.6168.3-174.1179.30111.1H317 F318 P850 V1112 E1113 V1114H317-K1116 PolarHBondContact O-NZ 3.3Å; F318-K1116 HydrophobicContact CE1-CG 4.28Å; P850-K1116 HydrophobicContact CG-CG 4.25Å; V1112-K1116 WeakPolarHBondContact O-CG 3.39Å; V1112-K1116 PolarHBondContact O-N 3.23Å; E1113-K1116 WeakPolarHBondContact O-CB 3.44Å; E1113-K1116 PolarHBondContact O-N 2.81Å; V1114-K1116 VanDerWaalsContact C-N 3.32Å; V1114-K1116 PolarHBondContact O-N 2.75Å
1117Q92.6Very high92.8Very high131 Ų13144.5 Ų44.561%0.61224%0.241SC*.  trans-144.384.1-179.4-173.3176.2-26.800112.4E1113 V1114 A1119 I1120E1113-Q1117 PolarHBondContact O-N 2.89Å; E1113-Q1117 VanDerWaalsContact O-N 3.09Å; V1114-Q1117 CarbonylContact O-C 3.54Å; V1114-Q1117 PolarHBondContact O-N 3.5Å; Q1117-A1119 PolarHBondContact O-N 3.29Å; Q1117-I1120 WeakPolarHBondContact O-CG2 3.46Å; Q1117-I1120 PolarHBondContact O-N 2.85Å; Q1117-I1120 VanDerWaalsContact O-N 3.07Å
1118P93.7Very high92.8Very high16 Ų1645.4 Ų45.410%0.10425%0.245CC..G310 helixtrans-61.9-19.6-170.1-28.336.5000116.4F969 P970 V1114 I1120 I1121F969-P1118 HydrophobicContact CD1-CB 4.02Å; F969-P1118 HydrophobicContact CD2-CB 3.81Å; F969-P1118 HydrophobicContact CD2-CG 4.17Å; F969-P1118 HydrophobicContact CE1-CB 4.11Å; F969-P1118 HydrophobicContact CE2-CB 3.91Å; F969-P1118 HydrophobicContact CE2-CG 3.9Å; F969-P1118 HydrophobicContact CG-CB 3.87Å; F969-P1118 HydrophobicContact CZ-CB 4.05Å; F969-P1118 HydrophobicContact CZ-CG 4.19Å; P970-P1118 WeakPolarHBondContact CD-O 3.42Å; V1114-P1118 WeakPolarHBondContact O-CA 3.32Å; V1114-P1118 VanDerWaalsContact O-CD 3.28Å; V1114-P1118 WeakPolarHBondContact O-CD 3.27Å; V1114-P1118 VanDerWaalsContact O-CG 3.28Å; V1114-P1118 WeakPolarHBondContact O-CG 3.46Å; P1118-I1120 PolarHBondContact O-N 3.01Å; P1118-I1121 WeakPolarHBondContact O-CG1 3.43Å
1119A90.6Very high92.9Very high57 Ų5748.7 Ų48.747%0.47126%0.261SS..G310 helixtrans-66-17.2175.800000114.2Q1117 I1121 S1122Q1117-A1119 PolarHBondContact O-N 3.29Å; A1119-I1121 PolarHBondContact O-N 3.28Å; A1119-S1122 PolarHBondContact O-N 3.33Å
1120I92.4Very high93Very high31 Ų3152.9 Ų52.916%0.15927%0.273CS..G310 helixtrans-59.8-25178.7-166.1-179.7000113.1E1113 V1114 Q1117 P1118 S1122 Q1123 L1124E1113-I1120 VanDerWaalsContact CD-CD1 3.46Å; E1113-I1120 HydrophobicContact CG-CD1 3.78Å; E1113-I1120 VanDerWaalsContact OE1-CD1 3.28Å; E1113-I1120 WeakPolarHBondContact OE1-CD1 3.09Å; V1114-I1120 HydrophobicContact CB-CG2 4.27Å; V1114-I1120 HydrophobicContact CG2-CG2 3.6Å; Q1117-I1120 WeakPolarHBondContact O-CG2 3.46Å; Q1117-I1120 PolarHBondContact O-N 2.85Å; Q1117-I1120 VanDerWaalsContact O-N 3.07Å; P1118-I1120 PolarHBondContact O-N 3.01Å; I1120-S1122 PolarHBondContact O-N 3.26Å; I1120-Q1123 CarbonylContact O-C 3.6Å; I1120-Q1123 PolarHBondContact O-N 3.34Å; I1120-L1124 HydrophobicContact CG1-CD2 4.34Å; I1120-L1124 PolarHBondContact O-N 3.29Å
1121I92.6Very high93Very high4 Ų452.8 Ų52.82%0.02127%0.272CS..G310 helixtrans-55.1-30.5-179.7-60.3171.8000112.2C872 I873 Y875 F969 C973 V1114 P1118 A1119 Q1123C872-I1121 HydrophobicContact CB-CD1 3.97Å; I873-I1121 HydrophobicContact CG1-CD1 4.22Å; I873-I1121 HydrophobicContact CG1-CG1 4.34Å; Y875-I1121 HydrophobicContact CD2-CG2 4.22Å; Y875-I1121 HydrophobicContact CE2-CG2 3.46Å; Y875-I1121 VanDerWaalsContact CE2-CG2 3.46Å; Y875-I1121 PolarHBondContact OH-O 2.88Å; Y875-I1121 VanDerWaalsContact OH-O 3.13Å; F969-I1121 HydrophobicContact CD1-CD1 3.57Å; F969-I1121 HydrophobicContact CE1-CD1 3.79Å; C973-I1121 HydrophobicContact CB-CG2 4.48Å; V1114-I1121 HydrophobicContact CG1-CD1 3.68Å; V1114-I1121 HydrophobicContact CG1-CG1 3.8Å; V1114-I1121 HydrophobicContact CG2-CG1 4.04Å; P1118-I1121 WeakPolarHBondContact O-CG1 3.43Å; A1119-I1121 PolarHBondContact O-N 3.28Å; I1121-Q1123 VanDerWaalsContact C-N 3.33Å
1122S90.1Very high93.1Very high59 Ų5953.1 Ų53.141%0.41327%0.274SS..G310 helixtrans-78.6-10.8177.5-60.60000114.8P970 A1119 I1120P970-S1122 WeakPolarHBondContact CG-OG 3.3Å; A1119-S1122 PolarHBondContact O-N 3.33Å; I1120-S1122 PolarHBondContact O-N 3.26Å
1123Q90.1Very high93.2Very high170 Ų17057 Ų5779%0.79429%0.294SS*.G310 helixtrans-148.354-174.7-63.2-175.10.800110.2I1120 I1121I1120-Q1123 CarbonylContact O-C 3.6Å; I1120-Q1123 PolarHBondContact O-N 3.34Å; I1121-Q1123 VanDerWaalsContact C-N 3.33Å
1124L91.4Very high93.3Very high19 Ų1953.2 Ų53.210%0.09928%0.276CS..  trans-65.7151.4173.3-66.9174.1000110.3L1110 I1120 E1129 L1132L1110-L1124 HydrophobicContact CD1-CD2 3.83Å; I1120-L1124 HydrophobicContact CG1-CD2 4.34Å; I1120-L1124 PolarHBondContact O-N 3.29Å; L1124-E1129 HydrophobicContact CB-CG 3.99Å; L1124-L1132 HydrophobicContact CD1-CD1 3.48Å; L1124-L1132 VanDerWaalsContact CD1-CD1 3.48Å
1125D90.3Very high93.4Very high62 Ų6253.2 Ų53.233%0.33228%0.276SS..  trans-68.4155.5170.968.3-84.9000111V1127 N1128 E1129D1125-V1127 PolarHBondContact O-N 3.21Å; D1125-V1127 VanDerWaalsContact O-N 3.1Å; D1125-V1127 WeakPolarHBondContact OD2-CA 3.48Å; D1125-V1127 VanDerWaalsContact OD2-CB 3.31Å; D1125-V1127 WeakPolarHBondContact OD2-CB 3.43Å; D1125-V1127 PolarHBondContact OD2-N 2.89Å; D1125-N1128 PolarHBondContact O-N 2.8Å; D1125-N1128 WeakPolarHBondContact OD1-CB 3.36Å; D1125-N1128 PolarHBondContact OD1-ND2 3.23Å; D1125-N1128 PolarHBondContact OD2-N 2.9Å; D1125-E1129 PolarHBondContact O-N 2.61Å
1126P93.3Very high93.5Very high78 Ų7854.9 Ų54.951%0.50628%0.282SS..Hα-helixtrans-62.5-20.8-176.1-26.136000115.1R1130P1126-R1130 WeakPolarHBondContact O-CG 3.36Å; P1126-R1130 VanDerWaalsContact O-CZ 3.25Å; P1126-R1130 PolarHBondContact O-N 3.45Å; P1126-R1130 PolarHBondContact O-NH1 3.09Å
1127V93.9Very high93.6Very high37 Ų3752.3 Ų52.322%0.22427%0.272CS..Hα-helixtrans-78-46.4178.5-1720000109.2I289 E292 L293 D1125 E1129 R1130 M1131I289-V1127 HydrophobicContact CD1-CG1 4.13Å; E292-V1127 HydrophobicContact CB-CG1 3.99Å; L293-V1127 HydrophobicContact CD2-CG1 3.71Å; L293-V1127 HydrophobicContact CG-CG1 4.02Å; D1125-V1127 PolarHBondContact O-N 3.21Å; D1125-V1127 VanDerWaalsContact O-N 3.1Å; D1125-V1127 WeakPolarHBondContact OD2-CA 3.48Å; D1125-V1127 VanDerWaalsContact OD2-CB 3.31Å; D1125-V1127 WeakPolarHBondContact OD2-CB 3.43Å; D1125-V1127 PolarHBondContact OD2-N 2.89Å; V1127-E1129 VanDerWaalsContact C-N 3.32Å; V1127-E1129 PolarHBondContact O-N 3.48Å; V1127-R1130 PolarHBondContact O-N 3.11Å; V1127-R1130 VanDerWaalsContact O-N 3.12Å; V1127-M1131 PolarHBondContact O-N 3.3Å
1128N94.1Very high93.7Very high19 Ų1946.1 Ų46.110%0.10224%0.243CC..Hα-helixtrans-60.7-38.8172.4-87.1-41.9000112.1L1110 D1125 R1130 M1131 L1132L1110-N1128 HydrophobicContact CD2-CB 4.45Å; D1125-N1128 PolarHBondContact O-N 2.8Å; D1125-N1128 WeakPolarHBondContact OD1-CB 3.36Å; D1125-N1128 PolarHBondContact OD1-ND2 3.23Å; D1125-N1128 PolarHBondContact OD2-N 2.9Å; N1128-R1130 PolarHBondContact O-N 2.93Å; N1128-M1131 WeakPolarHBondContact O-CB 3.41Å; N1128-M1131 PolarHBondContact O-N 3.33Å; N1128-M1131 WeakPolarHBondContact OD1-CE 3.48Å; N1128-L1132 VanDerWaalsContact O-CG 3.32Å; N1128-L1132 WeakPolarHBondContact O-CG 3.35Å; N1128-L1132 PolarHBondContact O-N 2.84Å
1129E93.8Very high93.8Very high102 Ų10245.4 Ų45.448%0.47724%0.238SC..Hα-helixtrans-60-42.5171.9-70.6-168.1153.500112.6L1124 D1125 V1127 N1133L1124-E1129 HydrophobicContact CB-CG 3.99Å; D1125-E1129 PolarHBondContact O-N 2.61Å; V1127-E1129 VanDerWaalsContact C-N 3.32Å; V1127-E1129 PolarHBondContact O-N 3.48Å; E1129-N1133 WeakPolarHBondContact O-CB 3.43Å; E1129-N1133 PolarHBondContact O-N 2.89Å; E1129-N1133 PolarHBondContact O-ND2 3.16Å
1130R95.4Very high93.9Very high109 Ų10946.4 Ų46.441%0.41123%0.23SC..Hα-helixtrans-67.9-39176-75.1-171-62.9-81.47.1112.3I289 E292 P1126 V1127 N1128 N1133 M1134I289-R1130 HydrophobicContact CD1-CB 3.72Å; E292-R1130 IonicContact OE1-NE 2.88Å; E292-R1130 IonicContact OE2-CZ 2.67Å; E292-R1130 IonicContact OE2-NE 2.77Å; E292-R1130 PolarHBondContact OE2-NE 3.24Å; E292-R1130 IonicContact OE2-NH2 2.75Å; E292-R1130 PolarHBondContact OE2-NH2 2.87Å; P1126-R1130 WeakPolarHBondContact O-CG 3.36Å; P1126-R1130 VanDerWaalsContact O-CZ 3.25Å; P1126-R1130 PolarHBondContact O-N 3.45Å; P1126-R1130 PolarHBondContact O-NH1 3.09Å; V1127-R1130 PolarHBondContact O-N 3.11Å; V1127-R1130 VanDerWaalsContact O-N 3.12Å; N1128-R1130 PolarHBondContact O-N 2.93Å; R1130-N1133 PolarHBondContact O-N 3.4Å; R1130-M1134 PolarHBondContact O-N 3.5Å
1131M95.9Very high93.9Very high0 Ų045.7 Ų45.70%023%0.227CC..Hα-helixtrans-58.4-50.7172.8179.7-162.966.600111.4I289 L293 L1103 A1106 M1107 L1110 V1127 N1128 N1133 M1134 I1135I289-M1131 HydrophobicContact CD1-CB 4.49Å; I289-M1131 HydrophobicContact CG1-CB 4.31Å; L293-M1131 HydrophobicContact CD1-CB 4.31Å; L293-M1131 HydrophobicContact CD1-CG 4.06Å; L293-M1131 HydrophobicContact CD1-SD 4.28Å; L293-M1131 HydrophobicContact CD2-SD 4.46Å; L1103-M1131 HydrophobicContact CD2-CG 3.74Å; A1106-M1131 HydrophobicContact CB-SD 3.36Å; A1106-M1131 WeakPolarHBondContact CB-SD 3.37Å; M1107-M1131 HydrophobicContact SD-CE 4.45Å; L1110-M1131 HydrophobicContact CB-CE 4.3Å; L1110-M1131 HydrophobicContact CD2-CE 3.65Å; V1127-M1131 PolarHBondContact O-N 3.3Å; N1128-M1131 WeakPolarHBondContact O-CB 3.41Å; N1128-M1131 PolarHBondContact O-N 3.33Å; N1128-M1131 WeakPolarHBondContact OD1-CE 3.48Å; M1131-N1133 VanDerWaalsContact C-N 3.33Å; M1131-N1133 PolarHBondContact O-N 3.04Å; M1131-M1134 WeakPolarHBondContact O-CB 3.38Å; M1131-M1134 PolarHBondContact O-N 3.07Å; M1131-M1134 VanDerWaalsContact O-N 3.14Å; M1131-I1135 HydrophobicContact CG-CD1 4.26Å; M1131-I1135 PolarHBondContact O-N 3.09Å
1132L96.3Very high93.9Very high9 Ų949.5 Ų49.55%0.04726%0.255CS..Hα-helixtrans-60.6-44.7177.9-68.2176.1000110.8I873 F874 M1107 L1110 L1124 N1128 M1134 I1135 R1136I873-L1132 HydrophobicContact CG2-CD1 3.77Å; I873-L1132 HydrophobicContact CG2-CD2 3.73Å; I873-L1132 HydrophobicContact CG2-CG 4.41Å; F874-L1132 HydrophobicContact CD1-CD2 4.11Å; F874-L1132 HydrophobicContact CE1-CB 4.02Å; F874-L1132 HydrophobicContact CE1-CD2 3.5Å; F874-L1132 VanDerWaalsContact CE1-CD2 3.5Å; F874-L1132 HydrophobicContact CE1-CG 4.34Å; F874-L1132 HydrophobicContact CE2-CD2 4.04Å; F874-L1132 HydrophobicContact CZ-CD2 3.43Å; F874-L1132 VanDerWaalsContact CZ-CD2 3.43Å; M1107-L1132 HydrophobicContact SD-CD2 3.73Å; L1110-L1132 HydrophobicContact CD2-CD1 4.23Å; L1110-L1132 HydrophobicContact CD2-CD2 4.09Å; L1110-L1132 HydrophobicContact CD2-CG 4.29Å; L1124-L1132 HydrophobicContact CD1-CD1 3.48Å; L1124-L1132 VanDerWaalsContact CD1-CD1 3.48Å; N1128-L1132 VanDerWaalsContact O-CG 3.32Å; N1128-L1132 WeakPolarHBondContact O-CG 3.35Å; N1128-L1132 PolarHBondContact O-N 2.84Å; L1132-M1134 VanDerWaalsContact C-N 3.3Å; L1132-M1134 PolarHBondContact O-N 3.1Å; L1132-I1135 PolarHBondContact O-N 3.04Å; L1132-I1135 VanDerWaalsContact O-N 3.17Å; L1132-R1136 WeakPolarHBondContact O-CG 3.41Å; L1132-R1136 PolarHBondContact O-N 3.04Å
1133N95.4Very high94Very high86 Ų8647.3 Ų47.346%0.4624%0.24SC..Hα-helixtrans-60.4-37.4175.2-78-48.6000112.7E1129 R1130 M1131 R1136 Q1137E1129-N1133 WeakPolarHBondContact O-CB 3.43Å; E1129-N1133 PolarHBondContact O-N 2.89Å; E1129-N1133 PolarHBondContact O-ND2 3.16Å; R1130-N1133 PolarHBondContact O-N 3.4Å; M1131-N1133 VanDerWaalsContact C-N 3.33Å; M1131-N1133 PolarHBondContact O-N 3.04Å; N1133-R1136 WeakPolarHBondContact O-CB 3.5Å; N1133-R1136 PolarHBondContact O-N 2.69Å; N1133-Q1137 WeakPolarHBondContact O-CG 3.29Å; N1133-Q1137 PolarHBondContact O-N 3.43Å; N1133-Q1137 VanDerWaalsContact O-N 3.11Å
1134M96.3Very high94Very high11 Ų1139.3 Ų39.35%0.05420%0.203CC..Hα-helixtrans-63.3-45.3173.2-170.549.954.200111.6L282 Q285 L286 I289 L1103 R1130 M1131 L1132 R1136 Q1137 I1138L282-M1134 HydrophobicContact CD1-SD 3.71Å; Q285-M1134 HydrophobicContact CB-CE 3.54Å; Q285-M1134 HydrophobicContact CB-SD 4.48Å; Q285-M1134 HydrophobicContact CG-CE 4.49Å; L286-M1134 HydrophobicContact CD2-CG 3.83Å; L286-M1134 HydrophobicContact CD2-SD 4.05Å; L286-M1134 HydrophobicContact CG-SD 4.34Å; I289-M1134 HydrophobicContact CG2-CB 4.41Å; I289-M1134 HydrophobicContact CG2-CG 4.05Å; L1103-M1134 HydrophobicContact CD1-CG 3.88Å; R1130-M1134 PolarHBondContact O-N 3.5Å; M1131-M1134 WeakPolarHBondContact O-CB 3.38Å; M1131-M1134 PolarHBondContact O-N 3.07Å; M1131-M1134 VanDerWaalsContact O-N 3.14Å; L1132-M1134 VanDerWaalsContact C-N 3.3Å; L1132-M1134 PolarHBondContact O-N 3.1Å; M1134-R1136 VanDerWaalsContact C-N 3.27Å; M1134-R1136 PolarHBondContact O-N 3.02Å; M1134-Q1137 WeakPolarHBondContact O-CA 3.22Å; M1134-Q1137 WeakPolarHBondContact O-CB 3.43Å; M1134-Q1137 PolarHBondContact O-N 3.17Å; M1134-Q1137 HydrophobicContact SD-CB 4.48Å; M1134-I1138 HydrophobicContact CG-CD1 4.11Å; M1134-I1138 HydrophobicContact CG-CG1 4.5Å; M1134-I1138 WeakPolarHBondContact O-CG1 3.34Å; M1134-I1138 PolarHBondContact O-N 3.35Å
1135I96.5Very high93.8Very high0 Ų040.7 Ų40.70%022%0.221CC..Hα-helixtrans-59.4-36.9174.3-67.5166.1000111.6F874 L1069 F1070 M1107 M1131 L1132 Q1137 I1138 S1139F874-I1135 HydrophobicContact CE1-CB 4.06Å; F874-I1135 HydrophobicContact CE1-CG2 3.82Å; F874-I1135 HydrophobicContact CE2-CG2 4.36Å; F874-I1135 HydrophobicContact CZ-CB 3.88Å; F874-I1135 HydrophobicContact CZ-CD1 4.04Å; F874-I1135 HydrophobicContact CZ-CG2 3.42Å; F874-I1135 VanDerWaalsContact CZ-CG2 3.42Å; L1069-I1135 HydrophobicContact CD2-CB 4.49Å; L1069-I1135 HydrophobicContact CD2-CG1 4.28Å; L1069-I1135 HydrophobicContact CD2-CG2 3.77Å; F1070-I1135 HydrophobicContact CE2-CG2 4.02Å; F1070-I1135 HydrophobicContact CZ-CG2 4.2Å; M1107-I1135 HydrophobicContact CB-CD1 4.16Å; M1107-I1135 HydrophobicContact CG-CD1 4.45Å; M1107-I1135 HydrophobicContact SD-CD1 4.36Å; M1131-I1135 HydrophobicContact CG-CD1 4.26Å; M1131-I1135 PolarHBondContact O-N 3.09Å; L1132-I1135 PolarHBondContact O-N 3.04Å; L1132-I1135 VanDerWaalsContact O-N 3.17Å; I1135-Q1137 VanDerWaalsContact C-N 3.32Å; I1135-Q1137 PolarHBondContact O-N 3.08Å; I1135-I1138 PolarHBondContact O-N 3.47Å; I1135-S1139 WeakPolarHBondContact O-CB 3.43Å; I1135-S1139 PolarHBondContact O-N 3.36Å; I1135-S1139 PolarHBondContact O-OG 3.38Å
1136R95.9Very high93.6Very high41 Ų4138.1 Ų38.116%0.15521%0.208CC..Hα-helixtrans-62.8-36.8172.2-56-163.7-171.1-88.2-2.8112.5F874 N987 V990 L1132 N1133 M1134F874-R1136 HydrophobicContact CD1-CG 4.45Å; F874-R1136 HydrophobicContact CE1-CG 4.46Å; F874-R1136 PolarHBondContact O-NH1 3.49Å; F874-R1136 PolarHBondContact O-NH2 3.43Å; N987-R1136 PolarHBondContact OD1-NH1 3.35Å; V990-R1136 HydrophobicContact CG2-CB 4.13Å; V990-R1136 HydrophobicContact CG2-CG 3.9Å; L1132-R1136 WeakPolarHBondContact O-CG 3.41Å; L1132-R1136 PolarHBondContact O-N 3.04Å; N1133-R1136 WeakPolarHBondContact O-CB 3.5Å; N1133-R1136 PolarHBondContact O-N 2.69Å; M1134-R1136 VanDerWaalsContact C-N 3.27Å; M1134-R1136 PolarHBondContact O-N 3.02Å
1137Q94.6Very high93.1Very high58 Ų5838.3 Ų38.327%0.27120%0.204SC..Hα-helixtrans-69.6-47.9177-64.7-165.554.100111.7L282 N1133 M1134 I1135 S1139 R1140 A1143L282-Q1137 HydrophobicContact CD1-CB 4.38Å; N1133-Q1137 WeakPolarHBondContact O-CG 3.29Å; N1133-Q1137 PolarHBondContact O-N 3.43Å; N1133-Q1137 VanDerWaalsContact O-N 3.11Å; M1134-Q1137 WeakPolarHBondContact O-CA 3.22Å; M1134-Q1137 WeakPolarHBondContact O-CB 3.43Å; M1134-Q1137 PolarHBondContact O-N 3.17Å; M1134-Q1137 HydrophobicContact SD-CB 4.48Å; I1135-Q1137 VanDerWaalsContact C-N 3.32Å; I1135-Q1137 PolarHBondContact O-N 3.08Å; Q1137-S1139 VanDerWaalsContact C-N 3.25Å; Q1137-S1139 PolarHBondContact O-N 2.99Å; Q1137-R1140 WeakPolarHBondContact O-CB 3.4Å; Q1137-R1140 WeakPolarHBondContact O-CG 3.36Å; Q1137-R1140 PolarHBondContact O-N 3.25Å; Q1137-R1140 VanDerWaalsContact O-N 3.15Å; Q1137-A1143 WeakPolarHBondContact O-CB 3.48Å
1138I94.7Very high92.5Very high1 Ų137.5 Ų37.51%0.00520%0.199CC..Hα-helixtrans-59.9-36.3177.9-59.9162.9000111.6L286 L1065 I1100 L1103 M1134 I1135 R1140L286-I1138 HydrophobicContact CD2-CD1 3.64Å; L286-I1138 HydrophobicContact CD2-CG1 4.14Å; L1065-I1138 HydrophobicContact CB-CG2 3.77Å; L1065-I1138 HydrophobicContact CD1-CG2 4.29Å; I1100-I1138 HydrophobicContact CG1-CD1 4.46Å; L1103-I1138 HydrophobicContact CD1-CD1 3.38Å; M1134-I1138 HydrophobicContact CG-CD1 4.11Å; M1134-I1138 HydrophobicContact CG-CG1 4.5Å; M1134-I1138 WeakPolarHBondContact O-CG1 3.34Å; M1134-I1138 PolarHBondContact O-N 3.35Å; I1135-I1138 PolarHBondContact O-N 3.47Å; I1138-R1140 PolarHBondContact O-N 3Å
1139S95.6Very high91.3Very high1 Ų142 Ų421%0.00722%0.221CC..THydrogen-bonded Turntrans-61.9-23.4179.2-65.80000113.3S993 Q1066 I1135 Q1137S993-S1139 WeakPolarHBondContact OG-CB 3.48Å; S993-S1139 PolarHBondContact OG-OG 3Å; Q1066-S1139 PolarHBondContact NE2-O 3.39Å; I1135-S1139 WeakPolarHBondContact O-CB 3.43Å; I1135-S1139 PolarHBondContact O-N 3.36Å; I1135-S1139 PolarHBondContact O-OG 3.38Å; Q1137-S1139 VanDerWaalsContact C-N 3.25Å; Q1137-S1139 PolarHBondContact O-N 2.99Å
1140R94.4Very high89.3Confident77 Ų7743.6 Ų43.629%0.29123%0.231SC..SBendtrans-65.8133.3-178.5-65172175.3157.13.6111.1N986 Q1137 I1138 S1142 A1143N986-R1140 PolarHBondContact ND2-NH2 3.44Å; N986-R1140 VanDerWaalsContact ND2-NH2 3.1Å; N986-R1140 PolarHBondContact OD1-NE 3.49Å; N986-R1140 PolarHBondContact OD1-NH2 2.94Å; Q1137-R1140 WeakPolarHBondContact O-CB 3.4Å; Q1137-R1140 WeakPolarHBondContact O-CG 3.36Å; Q1137-R1140 PolarHBondContact O-N 3.25Å; Q1137-R1140 VanDerWaalsContact O-N 3.15Å; I1138-R1140 PolarHBondContact O-N 3Å; R1140-S1142 PolarHBondContact O-N 2.9Å; R1140-S1142 VanDerWaalsContact O-N 3.14Å; R1140-A1143 HydrophobicContact CB-CB 4.39Å; R1140-A1143 VanDerWaalsContact O-CB 3.32Å; R1140-A1143 WeakPolarHBondContact O-CB 3.24Å; R1140-A1143 PolarHBondContact O-N 2.81Å
1141P92Very high87.1Confident16 Ų1640.8 Ų40.810%0.10424%0.236CC..G310 helixtrans-49.7-39.7169.9-29.435.6000114D989 T1063 A1143 A1144 I1146 L1148D989-P1141 VanDerWaalsContact CG-CD 3.48Å; D989-P1141 WeakPolarHBondContact OD1-CD 3.4Å; D989-P1141 WeakPolarHBondContact OD2-CD 3.15Å; T1063-P1141 HydrophobicContact CG2-CB 4.35Å; P1141-A1143 PolarHBondContact O-N 3.01Å; P1141-A1144 PolarHBondContact O-N 2.98Å; P1141-I1146 CarbonylContact C-O 3.52Å; P1141-I1146 HydrophobicContact CB-CB 4.3Å; P1141-I1146 HydrophobicContact CB-CG2 4.34Å; P1141-I1146 WeakPolarHBondContact CB-O 3.49Å; P1141-I1146 WeakPolarHBondContact O-CA 3.49Å; P1141-I1146 WeakPolarHBondContact O-CB 3.44Å; P1141-I1146 PolarHBondContact O-N 2.74Å; P1141-L1148 HydrophobicContact CB-CD1 4.21Å; P1141-L1148 HydrophobicContact CB-CD2 4.44Å; P1141-L1148 HydrophobicContact CB-CG 3.95Å; P1141-L1148 HydrophobicContact CG-CD1 3.69Å; P1141-L1148 HydrophobicContact CG-CG 4.01Å
1142S91.6Very high84.6Confident85 Ų8545.9 Ų45.959%0.59427%0.272SS*.G310 helixtrans-64.7-23.5178.9580000114.2R1140 A1144 G1145 I1146R1140-S1142 PolarHBondContact O-N 2.9Å; R1140-S1142 VanDerWaalsContact O-N 3.14Å; S1142-A1144 PolarHBondContact O-N 3.48Å; S1142-G1145 PolarHBondContact O-N 2.89Å; S1142-I1146 PolarHBondContact N-O 2.74Å
1143A91.6Very high82.1Confident12 Ų1252 Ų5210%0.09931%0.31CS..G310 helixtrans-69.5-22177.800000113L282 L1065 Q1137 R1140 P1141L282-A1143 HydrophobicContact CD2-CB 3.87Å; L1065-A1143 HydrophobicContact CD1-CB 4.12Å; Q1137-A1143 WeakPolarHBondContact O-CB 3.48Å; R1140-A1143 HydrophobicContact CB-CB 4.39Å; R1140-A1143 VanDerWaalsContact O-CB 3.32Å; R1140-A1143 WeakPolarHBondContact O-CB 3.24Å; R1140-A1143 PolarHBondContact O-N 2.81Å; P1141-A1143 PolarHBondContact O-N 3.01Å
1144A90.2Very high79.7Confident2 Ų251.5 Ų51.52%0.01730%0.301CS..G310 helixtrans-96.77.8170.900000112.9V276 N277 P1064 L1065 P1141 S1142 I1146V276-A1144 HydrophobicContact CG1-CB 4.36Å; N277-A1144 CarbonylContact O-C 3.39Å; P1064-A1144 HydrophobicContact CG-CB 4.26Å; L1065-A1144 HydrophobicContact CD1-CB 3.84Å; L1065-A1144 HydrophobicContact CG-CB 4Å; P1141-A1144 PolarHBondContact O-N 2.98Å; S1142-A1144 PolarHBondContact O-N 3.48Å; A1144-I1146 VanDerWaalsContact C-N 3.3Å; A1144-I1146 HydrophobicContact CB-CD1 3.93Å; A1144-I1146 HydrophobicContact CB-CG1 4.22Å; A1144-I1146 PolarHBondContact O-N 3.16Å
1145G87.3Confident77.4Confident48 Ų4855.7 Ų55.750%0.49532%0.318SS..THydrogen-bonded Turntrans74.512.8-172.200000114.9N277 S1142N277-G1145 PolarHBondContact O-N 2.78Å; S1142-G1145 PolarHBondContact O-N 2.89Å
1146I86.2Confident74.5Confident8 Ų859.4 Ų59.44%0.04136%0.355CS..  trans-90.5120.3-176.5-62.7164.1000110.1P1039 T1063 P1141 S1142 A1144 L1148P1039-I1146 HydrophobicContact CB-CG2 3.47Å; P1039-I1146 VanDerWaalsContact CB-CG2 3.47Å; T1063-I1146 HydrophobicContact CG2-CD1 3.96Å; P1141-I1146 CarbonylContact C-O 3.52Å; P1141-I1146 HydrophobicContact CB-CB 4.3Å; P1141-I1146 HydrophobicContact CB-CG2 4.34Å; P1141-I1146 WeakPolarHBondContact CB-O 3.49Å; P1141-I1146 WeakPolarHBondContact O-CA 3.49Å; P1141-I1146 WeakPolarHBondContact O-CB 3.44Å; P1141-I1146 PolarHBondContact O-N 2.74Å; S1142-I1146 PolarHBondContact N-O 2.74Å; A1144-I1146 VanDerWaalsContact C-N 3.3Å; A1144-I1146 HydrophobicContact CB-CD1 3.93Å; A1144-I1146 HydrophobicContact CB-CG1 4.22Å; A1144-I1146 PolarHBondContact O-N 3.16Å; I1146-L1148 HydrophobicContact CG2-CD2 4.21Å
1147N83.6Confident71.7Confident82 Ų8264.8 Ų64.844%0.43939%0.387SS..  trans-104.5104.5178.6-169.7-23.4000111.7M1149 I1150N1147-M1149 PolarHBondContact O-N 3.24Å; N1147-M1149 VanDerWaalsContact OD1-CB 3.31Å; N1147-M1149 WeakPolarHBondContact OD1-CB 3.5Å; N1147-M1149 PolarHBondContact OD1-N 2.79Å; N1147-I1150 HydrophobicContact CB-CD1 3.96Å; N1147-I1150 HydrophobicContact CB-CG1 4.14Å; N1147-I1150 WeakPolarHBondContact ND2-CD1 3.23Å; N1147-I1150 PolarHBondContact O-N 2.82Å
1148L81.1Confident68.9Low21 Ų2164.7 Ų64.711%0.1140%0.402CS..THydrogen-bonded Turntrans-68.6-9.3178.2-60.5-174.1000114.4N910 P1039 L1061 P1141 I1146N910-L1148 VanDerWaalsContact ND2-C 3.33Å; N910-L1148 WeakPolarHBondContact ND2-CB 3.25Å; N910-L1148 PolarHBondContact ND2-O 2.94Å; P1039-L1148 HydrophobicContact CB-CD2 3.88Å; P1039-L1148 HydrophobicContact CG-CD2 3.86Å; L1061-L1148 HydrophobicContact CD2-CD2 4.27Å; P1141-L1148 HydrophobicContact CB-CD1 4.21Å; P1141-L1148 HydrophobicContact CB-CD2 4.44Å; P1141-L1148 HydrophobicContact CB-CG 3.95Å; P1141-L1148 HydrophobicContact CG-CD1 3.69Å; P1141-L1148 HydrophobicContact CG-CG 4.01Å; I1146-L1148 HydrophobicContact CG2-CD2 4.21Å
1149M68.1Low65.8Low113 Ų11371 Ų7156%0.55744%0.443SS*.THydrogen-bonded Turntrans-88.3-25.2178-56.7-62.4-117.700112.7N910 N1147 G1151N910-M1149 PolarHBondContact ND2-SD 2.97Å; N1147-M1149 PolarHBondContact O-N 3.24Å; N1147-M1149 VanDerWaalsContact OD1-CB 3.31Å; N1147-M1149 WeakPolarHBondContact OD1-CB 3.5Å; N1147-M1149 PolarHBondContact OD1-N 2.79Å; M1149-G1151 VanDerWaalsContact C-N 3.33Å; M1149-G1151 PolarHBondContact O-N 3.09Å
1150I52.1Low62.7Low135 Ų13581.9 Ų81.969%0.69248%0.484SS*.THydrogen-bonded Turntrans-82.680.9-179.3-58175.3000108.9N1147N1147-I1150 HydrophobicContact CB-CD1 3.96Å; N1147-I1150 HydrophobicContact CB-CG1 4.14Å; N1147-I1150 WeakPolarHBondContact ND2-CD1 3.23Å; N1147-I1150 PolarHBondContact O-N 2.82Å
1151G49.2Very low59.9Low51 Ų5183.6 Ų83.653%0.52651%0.505SS..THydrogen-bonded Turntrans163.96.6179.600000116.3M1149 T1153M1149-G1151 VanDerWaalsContact C-N 3.33Å; M1149-G1151 PolarHBondContact O-N 3.09Å; G1151-T1153 PolarHBondContact O-N 3.35Å
1152S43.3Very low57Low107 Ų10788.7 Ų88.775%0.74854%0.538SS*.  trans-76.351.1-176.3-1530000114.2
1153T44.2Very low54.1Low138 Ų13894.5 Ų94.585%0.84755%0.553SS**  trans-89.215.3166.8-23.90000111.6G1151 Y1155G1151-T1153 PolarHBondContact O-N 3.35Å; T1153-Y1155 PolarHBondContact O-N 3.48Å
1154R46.3Very low51.1Low74 Ų74102.5 Ų102.528%0.27959%0.59SS.*SBendtrans-88.896.5172.4-89.3-168.2166.5-163.8-2.3110.4V1027 M1036V1027-R1154 PolarHBondContact O-NH1 3.25Å; M1036-R1154 VanDerWaalsContact SD-CZ 3.51Å; M1036-R1154 PolarHBondContact SD-NE 3.06Å; M1036-R1154 VanDerWaalsContact SD-NE 3.41Å; M1036-R1154 PolarHBondContact SD-NH2 2.82Å
1155Y46.2Very low48.3Very low100 Ų100105.9 Ų105.939%0.39262%0.618SS.*  trans77.159.4156-52-67.3000118.9Y902 F1031 T1153Y902-Y1155 HydrophobicContact CD1-CD1 4.17Å; Y902-Y1155 AromaticContact CD1-CD2 3.83Å; Y902-Y1155 HydrophobicContact CD1-CD2 3.83Å; Y902-Y1155 HydrophobicContact CD1-CE1 4.2Å; Y902-Y1155 AromaticContact CD1-CE2 3.85Å; Y902-Y1155 HydrophobicContact CD1-CE2 3.85Å; Y902-Y1155 HydrophobicContact CD1-CG 4.02Å; Y902-Y1155 AromaticContact CE1-CD1 3.67Å; Y902-Y1155 HydrophobicContact CE1-CD1 3.67Å; Y902-Y1155 AromaticContact CE1-CD2 3.83Å; Y902-Y1155 HydrophobicContact CE1-CD2 3.83Å; Y902-Y1155 AromaticContact CE1-CE1 3.3Å; Y902-Y1155 HydrophobicContact CE1-CE1 3.3Å; Y902-Y1155 AromaticContact CE1-CE2 3.47Å; Y902-Y1155 HydrophobicContact CE1-CE2 3.47Å; Y902-Y1155 VanDerWaalsContact CE1-CE2 3.47Å; Y902-Y1155 AromaticContact CE1-CG 3.95Å; Y902-Y1155 HydrophobicContact CE1-CG 3.95Å; Y902-Y1155 AromaticContact CE1-CZ 3.22Å; Y902-Y1155 AromaticContact CZ-CD1 3.95Å; Y902-Y1155 AromaticContact CZ-CE1 3.55Å; Y902-Y1155 AromaticContact CZ-CZ 3.89Å; Y902-Y1155 WeakPolarHBondContact OH-CE1 3.34Å; F1031-Y1155 HydrophobicContact CD2-CE2 4.4Å; F1031-Y1155 VanDerWaalsContact CD2-OH 3.29Å; F1031-Y1155 WeakPolarHBondContact CD2-OH 3.26Å; F1031-Y1155 HydrophobicContact CE2-CE2 4.26Å; T1153-Y1155 PolarHBondContact O-N 3.48Å
1156G36Very low45.5Very low77 Ų77115.2 Ų115.279%0.79464%0.638SS**SBend-8977.2128.300000110.3
1157D37.4Very low42.9Very low154 Ų154125.4 Ų125.482%0.82468%0.678SS**  trans-175.797.9151.4-101.4-15.2000111.1
1158G35.8Very low40.4Very low57 Ų57128.9 Ų128.959%0.58870%0.697SS**SBendtrans-178.5145.1177.400000106.4R1160G1158-R1160 PolarHBondContact O-N 3.42Å; G1158-R1160 VanDerWaalsContact O-N 3.15Å
1159P29.3Very low38Very low133 Ų133135.8 Ų135.886%0.86473%0.733SS**PPolyproline II helixtrans-57125.7-172.922.3-32.6000110.2
1160R30.8Very low36.2Very low230 Ų230133.4 Ų133.487%0.86874%0.738SS**PPolyproline II helixtrans-56.2134.3177.6-72.4179.8174.9170.7-1.7108.6G1158G1158-R1160 PolarHBondContact O-N 3.42Å; G1158-R1160 VanDerWaalsContact O-N 3.15Å
1161P36.8Very low35.1Very low113 Ų113133.2 Ų133.273%0.73475%0.749SS**PPolyproline II helixtrans-52.3143.6167.8-23.933.3000109.8K1163P1161-K1163 PolarHBondContact O-N 2.92Å
1162P30.1Very low34.1Very low123 Ų123134.2 Ų134.280%0.79976%0.759SS**PPolyproline II helixtrans-52.4129.9171.6-23.933.5000109.3M1164P1162-M1164 PolarHBondContact O-N 3.26Å; P1162-M1164 VanDerWaalsContact O-N 3.1Å
1163K29.8Very low33.5Very low207 Ų207140.2 Ų140.290%0.977%0.767SS**PPolyproline II helixtrans-59.3119.3172.9-75-176.8175.4-178.30107.7P1161 A1165P1161-K1163 PolarHBondContact O-N 2.92Å; K1163-A1165 PolarHBondContact O-N 3.46Å
1164M30.6Very low32.8Very low179 Ų179145.2 Ų145.288%0.88277%0.77SS**PPolyproline II helixtrans-56.1133.9170.6-70.6179.773.100109.2P1162 R1166P1162-M1164 PolarHBondContact O-N 3.26Å; P1162-M1164 VanDerWaalsContact O-N 3.1Å; M1164-R1166 PolarHBondContact O-N 3.49Å
1165A29.5Very low31.9Very low73 Ų73153.7 Ų153.760%0.60380%0.802SS**PPolyproline II helixtrans-62.5126.7162.700000108.1K1163 Y1167K1163-A1165 PolarHBondContact O-N 3.46Å; A1165-Y1167 HydrophobicContact CB-CD2 4.46Å; A1165-Y1167 HydrophobicContact CB-CE2 4.42Å; A1165-Y1167 PolarHBondContact O-N 2.97Å; A1165-Y1167 VanDerWaalsContact O-N 3.12Å
1166R29.6Very low31.1Very low244 Ų244152.8 Ų152.892%0.92182%0.823SS**  trans-68.4106.5164.1-76.4-177.2173.7-179.8-3.6107.1M1164 D1168M1164-R1166 PolarHBondContact O-N 3.49Å; R1166-D1168 PolarHBondContact O-N 2.77Å
1167Y31.6Very low30.6Very low222 Ų222152.9 Ų152.987%0.87182%0.824SS**  trans-80.1100.8160.9-92-84.1000107.9A1165A1165-Y1167 HydrophobicContact CB-CD2 4.46Å; A1165-Y1167 HydrophobicContact CB-CE2 4.42Å; A1165-Y1167 PolarHBondContact O-N 2.97Å; A1165-Y1167 VanDerWaalsContact O-N 3.12Å
1168D30.1Very low30.2Very low156 Ų156151 Ų15183%0.83482%0.823SS**  trans-79.2126.4170.1-143-17000108.2R1166 G1170R1166-D1168 PolarHBondContact O-N 2.77Å; D1168-G1170 PolarHBondContact O-N 2.96Å
1169N31.3Very low29.8Very low165 Ų165153 Ų15388%0.88283%0.828SS**  trans-93.389.5-176.9-16516.8000108.9
1170G29.7Very low29.8Very low64 Ų64157.1 Ų157.166%0.6683%0.828SS**  trans-14984.4-168.200000114.3D1168 G1172D1168-G1170 PolarHBondContact O-N 2.96Å; G1170-G1172 PolarHBondContact O-N 2.84Å
1171S30.6Very low29.6Very low131 Ų131151.8 Ų151.892%0.91683%0.826SS**  trans-62.3111.6170.6-60.80000111.4
1172G28.2Very low29.2Very low71 Ų71149.7 Ų149.773%0.73283%0.825SS**  trans-151.599.6-179.200000113.6G1170 R1174G1170-G1172 PolarHBondContact O-N 2.84Å; G1172-R1174 PolarHBondContact O-N 3.03Å
1173Y29.5Very low29.1Very low234 Ų234148 Ų14892%0.91883%0.83SS**  trans-61.9126.7173-78.4-98.3000112
1174R29.3Very low29Very low242 Ų242141.4 Ų141.491%0.91382%0.82SS**  trans-173.7105135.5-103.1161.3-163.6-147.25.5114.7G1172G1172-R1174 PolarHBondContact O-N 3.03Å
1175R28.3Very low28.8Very low252 Ų252144.4 Ų144.495%0.95182%0.824SS**  36.1107.9126.8-143.1-176-159.9-163.95.1119.4
1176G28.4Very low28.8Very low81 Ų81144.9 Ų144.984%0.83584%0.836SS**  109.7130.612400000119
1177G26.7Very low28.8Very low79 Ų79137 Ų13781%0.81483%0.83SS**  trans123.6111.9151.800000116.6
1178S27.6Very low28.6Very low115 Ų115129.5 Ų129.580%0.80482%0.821SS**  trans-49163157.9-47.40000112
1179S28.4Very low28.6Very low99 Ų99132.3 Ų132.369%0.69282%0.821SS**  cis-172.7154.145.3-46.20000112.2
1180Y28.5Very low28.5Very low220 Ų220130.6 Ų130.686%0.86382%0.816SS**  trans44.5119.9138.5-77.5-105.4000120.5
1181S27.2Very low28.5Very low118 Ų118133.2 Ų133.283%0.82583%0.825SS**  76.9139.488.1-164.30000114.1
1182G28.4Very low28.4Very low68 Ų68130.8 Ų130.870%0.70182%0.82SS**  cis-132.7-173.9-400000110.3
1183G27.1Very low28.4Very low88 Ų88130.3 Ų130.391%0.90782%0.816SS**  71.2112.160.700000111.2
1184G27.4Very low28.4Very low68 Ų68130.9 Ų130.970%0.70182%0.818SS**  cis171.7-178.3-3.600000111.4
1185Y28Very low28.3Very low243 Ų243122.9 Ų122.995%0.95381%0.81SS**  trans55.9140159-69.9-84.5000123.3
1186G28.2Very low28.2Very low83 Ų83115 Ų11586%0.85681%0.807SS**  trans88.8142.1164.200000114.1
1187G29.1Very low28.2Very low78 Ų78115 Ų11580%0.80481%0.807SS**  cis-166.3161.7-3.800000108.2
1188G27.7Very low28.2Very low65 Ų65113.9 Ų113.967%0.6780%0.797SS**  trans-87.3-171.4-167.600000116.9
1189Y29.8Very low28.3Very low214 Ų214120.1 Ų120.184%0.83980%0.804SS**  trans97.7127160.6-59.1-76.3000120.3
1190T29.6Very low28.3Very low129 Ų129118.9 Ų118.979%0.79181%0.807SS**  trans59.3121149.644.90000119
1191S30.4Very low28.3Very low120 Ų120114.7 Ų114.784%0.83981%0.81SS**  cis93.6128.850-173.20000112.7
1192G28.4Very low28.3Very low79 Ų79113 Ų11381%0.81481%0.811SS**  trans85.8138.4-176.200000113
1193G27.5Very low28.2Very low62 Ų62112.7 Ų112.764%0.63981%0.808SS**  cis145139.21.200000109.9
1194Y29.8Very low28.4Very low246 Ų246120.2 Ų120.297%0.96581%0.811SS**  trans64.2152-173.1-52.2-91.7000114.1
1195G27Very low28.3Very low73 Ų73120.7 Ų120.775%0.75382%0.816SS**  cis166.3128.3-9.500000112.2
1196G27.2Very low28.3Very low86 Ų86113.1 Ų113.189%0.88781%0.812SS**  trans86.8148.7140.200000119.8
1197G27.3Very low28.6Very low81 Ų81114.7 Ų114.784%0.83581%0.81SS**  trans98.989.7151.800000118.6
1198G27.3Very low29.1Very low57 Ų57116.5 Ų116.559%0.58881%0.807SS**  107.4111.195.100000121.3
1199Y29.7Very low29.2Very low245 Ų245120.6 Ų120.696%0.96181%0.814SS**  trans70.7140.2131.8-46.9-70.2000122.6
1200G28Very low29.2Very low74 Ų74113.9 Ų113.976%0.76380%0.798SS**  trans122.384175.800000111.1
1201S29.4Very low29Very low132 Ų132116.6 Ų116.692%0.92380%0.799SS**  cis73.4124.347.4-1600000114.4
1202G27.1Very low28.9Very low81 Ų81121.7 Ų121.784%0.83580%0.8SS**  trans103.8120.1-178.200000112.7
1203G26.9Very low28.8Very low63 Ų63122.8 Ų122.865%0.64980%0.801SS**  cis136.2140.71.300000110.8
1204Y30.2Very low28.7Very low245 Ų245123.4 Ų123.496%0.96181%0.808SS**  trans68.3139.1-175.2-53.3-87.1000115.1
1205G26.3Very low28.6Very low79 Ų79123.3 Ų123.381%0.81481%0.807SS**  cis136.5113.90.600000110.2
1206G26.9Very low28.6Very low83 Ų83123.3 Ų123.386%0.85681%0.808SS**  trans172.895-178.200000113.6
1207S34.2Very low28.7Very low117 Ų117124.5 Ų124.582%0.81881%0.809SS**  trans-137.7132.3160.3-1780000107.8
1208P40.7Very low28.7Very low115 Ų115124 Ų12475%0.74780%0.804SS**  trans-135.6141.9142.522.6-3.3000113.3
1209N30.5Very low28.9Very low152 Ų152128.7 Ų128.781%0.81382%0.821SS**  21.4145.8120.9-76.1-3.8000119
1210S27.8Very low28.8Very low73 Ų73120.7 Ų120.751%0.5181%0.813SS.*  cis178.8-167.7-3.449.70000107.9
1211F27Very low28.8Very low185 Ų185121.2 Ų121.281%0.81182%0.818SS**  trans80.1152.1171.8-53.9-78.6000117.1
1212R27.4Very low28.7Very low228 Ų228118.8 Ų118.886%0.8681%0.814SS**  cis156.1124.4-32.2174.4-178.1-163.1-154.77.3107.8
1213A26.7Very low28.9Very low102 Ų102125.5 Ų125.584%0.84382%0.816SS**  trans66.3155.9162.200000119.7
1214G25.5Very low29Very low75 Ų75134.1 Ų134.177%0.77383%0.829SS**  trans153.684.1158.900000116.6
1215Y27.8Very low28.9Very low243 Ų243125.7 Ų125.795%0.95382%0.816SS**  trans-67.5140.1169.7-93.2-112.6000113.6
1216G27.3Very low29Very low74 Ų74128.5 Ų128.576%0.76382%0.817SS**  82135.4124.100000121.9
1217A29.1Very low29.1Very low111 Ų111129.5 Ų129.592%0.91781%0.811SS**  167.9151.9120.800000113.9
1218G27.8Very low29Very low70 Ų70136.1 Ų136.172%0.72282%0.818SS**  trans9889.2168.900000114.9
1219V29.8Very low28.4Very low156 Ų156134.5 Ų134.595%0.94582%0.823SS**  71.1112.350.5-173.20000114.6
1220G27.8Very low28.3Very low77 Ų77130.6 Ų130.679%0.79482%0.819SS**  trans136.595.8140.200000120.4
1221G28.1Very low28.4Very low85 Ų85135.9 Ų135.988%0.87683%0.833SS**  93.5125.6124.100000122.6
1222G28.5Very low28.5Very low81 Ų81138.4 Ų138.484%0.83584%0.837SS**  109.5102.4113.200000120.8
1223Y29.7Very low28.6Very low222 Ų222130.7 Ų130.787%0.87183%0.828SS**  trans-49.2158.6169-91.3-93.8000120.2
1224R30.1Very low28.9Very low243 Ų243133.6 Ų133.692%0.91783%0.83SS**  trans76.7126148.2-79.6-179.7179.1-172.30.2121.5
1225G27.7Very low29.2Very low68 Ų68135.2 Ų135.270%0.70183%0.829SS**  138.3111115.600000121.6
1226V29Very low29.4Very low138 Ų138127.3 Ų127.384%0.83682%0.822SS**  60.4109.6129.2-173.50000122.6
1227S29.1Very low29.7Very low105 Ų105127.2 Ų127.273%0.73482%0.82SS**  50146.6129-520000127.1
1228R31.2Very low30Very low255 Ų255128.7 Ų128.796%0.96281%0.813SS**  trans73.6138.4156.6-72.9-180172-167.9-2118.3
1229G29.2Very low30.2Very low81 Ų81134.3 Ų134.384%0.83581%0.814SS**  cis154.11646.700000112.4
1230G27.7Very low30.2Very low71 Ų71137.9 Ų137.973%0.73281%0.81SS**  trans115.7150.3172.600000115.3
1231F29.3Very low30.2Very low184 Ų184137.7 Ų137.781%0.80781%0.808SS**  cis-168.8146.3-1.9-128.8-72.5000112
1232R30Very low31.6Very low237 Ų237139.4 Ų139.489%0.89480%0.804SS**  trans61.6146.8162.3-83.6153.8-173.1-150.52.3120.2
1233G29.8Very low31.7Very low66 Ų66141.2 Ų141.268%0.6880%0.804SS**  cis163.7155.9-10.800000115.4
1234N33.4Very low31.7Very low164 Ų164134.7 Ų134.788%0.87780%0.804SS**  trans59.5149.5169.5-77.321000119.4
1235S31.7Very low31.6Very low108 Ų108126.6 Ų126.676%0.75580%0.796SS**  cis-170.5168.5-13.5-84.70000108.4
1236G32.1Very low31.7Very low78 Ų78133.4 Ų133.480%0.80480%0.802SS**  cis147.2118.5-8.100000114.3
1237G32.2Very low31.9Very low71 Ų71138.1 Ų138.173%0.73281%0.805SS**  trans108.6157.1167.100000117.8
1238D35.6Very low32Very low142 Ų142137 Ų13776%0.75981%0.81SS**  cis-170151.7-15.5-125-17.4000115.2
1239Y33.2Very low32.2Very low188 Ų188131.2 Ų131.274%0.73781%0.809SS**  trans64133149-83.2-61000128.6
1240R29.4Very low32.2Very low232 Ų232131.5 Ų131.588%0.87581%0.811SS**  trans88.4123.7141.6-71.6170.9-170.2-154.81.5122.3
1241G26.8Very low32.5Very low73 Ų73131.4 Ų131.475%0.75381%0.811SS**  trans-100.7-141.7157.500000111.5
1242P56.8Low32.7Very low121 Ų121132.6 Ų132.679%0.78682%0.816SS**  cis-138.6-164.5-13.841-21.3000114.4
1243S31.6Very low33Very low119 Ų119129.3 Ų129.383%0.83281%0.81SS**  trans91.2117.1155.4-60.90000122.9
1244G29.9Very low33.4Very low84 Ų84138 Ų13887%0.86682%0.822SS**  102.1119.6109.500000122.6
1245G28.6Very low33.3Very low73 Ų73134.2 Ų134.275%0.75382%0.822SS**  111.8109.1124.100000123
1246Y29.8Very low33.4Very low212 Ų212133.2 Ų133.283%0.83183%0.829SS**  trans61.6128.1131.3-87.5-87.5000125.7
1247R33.5Very low33.2Very low237 Ų237133.6 Ų133.689%0.89483%0.834SS**  trans68.2138.9139.4-94.7172-173.3-167.73.5122.9
1248G29.9Very low33.4Very low82 Ų82142.9 Ų142.985%0.84585%0.846SS**  trans157125.6144.100000117.4
1249S34.7Very low33Very low133 Ų133139.9 Ų139.993%0.9385%0.849SS**  trans-97.9159.9-175-53.80000116.4
1250G30.6Very low33Very low87 Ų87135 Ų13590%0.89785%0.847SS**  trans87.8156.6153.100000117.1
1251G32.9Very low33.1Very low69 Ų69135.2 Ų135.271%0.71185%0.85SS**  cis163.9148.6-7.700000113.3
1252F35.1Very low33.2Very low208 Ų208135.2 Ų135.291%0.91285%0.85SS**  trans80.2136.9160.9-74.5-79000125.2
1253Q35.2Very low31.8Very low168 Ų168133.6 Ų133.679%0.78586%0.856SS**  trans103.2100.6133.3-89.3179.13.700125.3
1254R38.8Very low31.6Very low248 Ų248131.6 Ų131.694%0.93685%0.853SS**  59.4134.7120.2-87.6-169.3172.2-164.8-0.7125.4
1255G30.9Very low31.5Very low85 Ų85137.2 Ų137.288%0.87685%0.85SS**  trans115141.7145.200000115
1256G32.9Very low31.5Very low87 Ų87142.9 Ų142.990%0.89785%0.854SS**  cis147.9125.6-600000112.1
1257G28.7Very low31.4Very low87 Ų87135.6 Ų135.690%0.89784%0.843SS**  trans175.6151177.800000116.2
1258R36.3Very low31.1Very low265 Ų265134.3 Ų134.3100%185%0.848SS**  trans-122.8161.4-171.7-72.8177.5167.9-176.4-3.9113.6
1259G28.2Very low31.1Very low79 Ų79133.5 Ų133.581%0.81484%0.839SS**  trans-168.6148.3160.700000111.2
1260A32.4Very low30.8Very low85 Ų85139.8 Ų139.870%0.70284%0.843SS**  trans-152.2171.2-163.300000116.6
1261Y31.8Very low30.7Very low237 Ų237139.1 Ų139.193%0.92984%0.836SS**  trans73.7147170.3-59.5-84000118.2
1262G28.7Very low30.5Very low74 Ų74139.8 Ų139.876%0.76384%0.843SS**  cis166.9160.6-7.700000114.3
1263G27.3Very low30.2Very low87 Ų87133.8 Ų133.890%0.89784%0.839SS**  trans86.3141.2175.400000115.1
1264G27.1Very low29.9Very low76 Ų76127.6 Ų127.678%0.78482%0.821SS**  cis118.4141.820.600000108.9
1265Y28.1Very low29.7Very low202 Ų202128.3 Ų128.379%0.79283%0.826SS**  cis-170.9154.44.7-129.8-65.8000109.1
1266F27.9Very low29.6Very low192 Ų192130.5 Ų130.584%0.84282%0.823SS**  trans58.5151.2164.7-66.3-67.4000119.9
1267G27.9Very low29.5Very low59 Ų59132.7 Ų132.761%0.60882%0.819SS**  cis167.6169.4-6.200000113.1
1268Q28.3Very low29.5Very low210 Ų210135.3 Ų135.398%0.98182%0.815SS**  trans66.2143.7174.5-51.7-177.58.400117.2
1269G28.4Very low29.1Very low65 Ų65127.6 Ų127.667%0.6780%0.804SS**  cis159.5143.9-9.900000113.3
1270R29.1Very low29.2Very low265 Ų265130.7 Ų130.7100%180%0.803SS**  trans65.7150.5174.9-55.4178174.6-171.1-2.9115.6
1271G29.2Very low29Very low73 Ų73133.7 Ų133.775%0.75381%0.81SS**  cis157.9143.3-5.600000111.2
1272G28Very low28.8Very low84 Ų84126.4 Ų126.487%0.86680%0.801SS**  trans77.3141.7-173.500000112.7
1273G28.4Very low28.8Very low81 Ų81130.4 Ų130.484%0.83580%0.804SS**  cis98.9114.720.200000109.1
1274G30.5Very low28.9Very low39 Ų39134 Ų13440%0.40280%0.797SS.*  cis161.9160.4000000111.4E122E122-G1274 VanDerWaalsContact OE1-C 3.32Å; E122-G1274 WeakPolarHBondContact OE1-CA 3.25Å; E122-G1274 PolarHBondContact OE1-N 3.48Å
1275Y33.7Very low29.1Very low262 Ų262139.3 Ų139.3100%1.02780%0.798SS**  trans-1600149.7-97.4-65.6000110.8E122E122-Y1275 PolarHBondContact OE1-N 3.3Å

Retrieved 1,275 of 1,275 residues in 751.7 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).