A0A061IH46_CRIGR Loading...

Dihydroxyacetone phosphate acyltransferase

Dihydroxyacetonephosphate acyltransferase catalyzing the first step in the biosynthesis of plasmalogens, a subset of phospholipids that differ from other glycerolipids by having an alkyl chain attached through a vinyl ether linkage at the sn-1 position of the glycerol backbone, and which unique physical properties have an impact on various aspects of cell signaling and membrane biology.

AlphaFold DB , UniProt , Accession A0A061IH46, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Gnpat, Length 679 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M32.7Very low24.6Very low233 Ų233149.1 Ų149.1100%1.14884%0.843SS**  0149.60-74.8-178.1-177.400107.4
2D24.4Very low24.4Very low150 Ų150146.2 Ų146.280%0.80284%0.839SS**  trans88.997.1168.7-52.2-31.8000120.2
3V23Very low24.5Very low131 Ų131145.9 Ų145.979%0.79484%0.841SS**  trans25.2130.3133.9-167.70000119.7
4P26Very low24.4Very low123 Ų123140.2 Ų140.280%0.79983%0.829SS**PPolyproline II helixtrans-95.3138.615933.3-23.1000112.8
5S25Very low24.4Very low114 Ų114138.3 Ų138.380%0.79783%0.826SS**PPolyproline II helixtrans-67.5142.6-179.451.20000115
6S23.8Very low24.5Very low122 Ų122135.3 Ų135.385%0.85382%0.821SS**PPolyproline II helixtrans-73.1125170.146.90000112.4
7S24.8Very low24.5Very low117 Ų117134.8 Ų134.882%0.81881%0.813SS**  trans-93.1115.9170.658.30000110.9S9S7-S9 PolarHBondContact O-N 2.96Å
8S23.2Very low24.6Very low110 Ų110132.9 Ų132.977%0.76980%0.804SS**  trans-68.3118.8171600000111.6
9S22.7Very low24.5Very low102 Ų102129.4 Ų129.471%0.71380%0.798SS**  trans-89.9112.9165.252.60000109.9S7 F11S7-S9 PolarHBondContact O-N 2.96Å; S9-F11 PolarHBondContact O-N 3.32Å
10R22.8Very low24.8Very low240 Ų240128.1 Ų128.191%0.90679%0.789SS**  trans-70.6117.7171.4-69.6176.5-176.7173.50.8108.7S12R10-S12 PolarHBondContact O-N 2.92Å
11F22.7Very low25Very low198 Ų198129 Ų12987%0.86879%0.789SS**  trans-74.6111.8163.9-85.3-89.1000109S9 V13S9-F11 PolarHBondContact O-N 3.32Å; F11-V13 PolarHBondContact O-N 2.73Å
12S21.5Very low24.7Very low114 Ų114125.8 Ų125.880%0.79778%0.775SS**  trans-69.3115.9169.352.50000109.6R10 G14R10-S12 PolarHBondContact O-N 2.92Å; S12-G14 PolarHBondContact O-N 2.87Å
13V25.5Very low25Very low143 Ų143126.1 Ų126.187%0.86777%0.772SS**  trans-62.4114166.9177.60000107.4F11 S15F11-V13 PolarHBondContact O-N 2.73Å; V13-S15 PolarHBondContact O-N 2.59Å
14G24.1Very low25.7Very low66 Ų66128.7 Ų128.768%0.6877%0.768SS**PPolyproline II helixtrans-55.8127176.600000110.6S12 A16S12-G14 PolarHBondContact O-N 2.87Å; G14-A16 PolarHBondContact O-N 2.85Å
15S23.7Very low25.9Very low112 Ų112126.4 Ų126.478%0.78376%0.76SS**PPolyproline II helixtrans-54.3118173.354.30000110V13 N17V13-S15 PolarHBondContact O-N 2.59Å; S15-N17 PolarHBondContact O-N 3.35Å
16A26.7Very low26.7Very low90 Ų90124.6 Ų124.674%0.74474%0.738SS**PPolyproline II helixtrans-58.5120.7168.400000108.8G14G14-A16 PolarHBondContact O-N 2.85Å
17N23.8Very low27.2Very low126 Ų126126.7 Ų126.767%0.67473%0.734SS**PPolyproline II helixtrans-57.1126.8172.2-108.7-13.1000109.1S15 G19 T20S15-N17 PolarHBondContact O-N 3.35Å; N17-G19 PolarHBondContact O-N 3.41Å; N17-T20 PolarHBondContact O-N 3.14Å; N17-T20 VanDerWaalsContact O-N 3.17Å; N17-T20 PolarHBondContact O-OG1 2.81Å
18P25.8Very low28Very low102 Ų102128.3 Ų128.366%0.66273%0.733SS**G310 helixtrans-60.8-16.5178.7-19.429.9000113.5T20 L21P18-T20 PolarHBondContact O-N 3.04Å; P18-L21 PolarHBondContact O-N 3.32Å
19G23.5Very low29.3Very low66 Ų66126.7 Ų126.768%0.6871%0.712SS**G310 helixtrans-70-11.9176.700000115.4N17N17-G19 PolarHBondContact O-N 3.41Å
20T29.8Very low30.8Very low103 Ų103130.6 Ų130.663%0.63272%0.716SS**G310 helixtrans-88.5-5.4177.9-12.80000113.2N17 P18N17-T20 PolarHBondContact O-N 3.14Å; N17-T20 VanDerWaalsContact O-N 3.17Å; N17-T20 PolarHBondContact O-OG1 2.81Å; P18-T20 PolarHBondContact O-N 3.04Å
21L29.2Very low32.8Very low148 Ų148122.1 Ų122.178%0.77568%0.684SS**G310 helixtrans-85.4-7179.4-88.1154000113.2P18P18-L21 PolarHBondContact O-N 3.32Å
22L27.7Very low35.3Very low164 Ų164114.2 Ų114.286%0.85965%0.651SS**SBendtrans-117.541-169.4-130114.9000113.6
23Q29.2Very low38.2Very low157 Ų157115.6 Ų115.673%0.73465%0.645SS**  trans-128.923.6-179.9-144.8169.119.400114.8
24Y39.3Very low41.3Very low185 Ų185111.1 Ų111.173%0.72561%0.613SS**  trans-137.657174.1-72.9-79.5000112.5K26Y24-K26 VanDerWaalsContact C-N 3.3Å; Y24-K26 PolarHBondContact O-N 2.99Å
25A28.7Very low44.7Very low75 Ų75111 Ų11162%0.6260%0.596SS**  -69.1104.612800000104.9E27A25-E27 HydrophobicContact CB-CG 4.24Å; A25-E27 PolarHBondContact O-N 2.96Å
26K41.3Very low48.1Very low77 Ų77107.1 Ų107.134%0.33557%0.566SS.*  trans-63.478.4153-84.4-176.7-177.7168.40104.7Y24 L28 E537Y24-K26 VanDerWaalsContact C-N 3.3Å; Y24-K26 PolarHBondContact O-N 2.99Å; K26-L28 PolarHBondContact O-N 3.35Å; K26-E537 IonicContact NZ-OE1 3.24Å; K26-E537 PolarHBondContact NZ-OE1 3.4Å
27E35.8Very low51.4Low165 Ų165103 Ų10377%0.77153%0.531SS*.  trans-50.2136.3157.9-72.4-175169.200105.4A25 K29A25-E27 HydrophobicContact CB-CG 4.24Å; A25-E27 PolarHBondContact O-N 2.96Å; E27-K29 VanDerWaalsContact C-N 3.34Å; E27-K29 PolarHBondContact O-N 3.18Å
28L41.1Very low54.8Low151 Ų15197 Ų9779%0.79150%0.499SS*.  trans-53.9103.3177.8-78.5152.6000107.1K26 K30K26-L28 PolarHBondContact O-N 3.35Å; L28-K30 PolarHBondContact O-N 3.16Å
29K49.9Very low58Low77 Ų7796.4 Ų96.434%0.33549%0.488SS..  trans-54.2116.3175.9-175.1-178.8176.3-171.80105.4E27 W31 Y326 N379E27-K29 VanDerWaalsContact C-N 3.34Å; E27-K29 PolarHBondContact O-N 3.18Å; K29-W31 HydrophobicContact CD-CH2 4.46Å; K29-W31 HydrophobicContact CD-CZ3 4.43Å; K29-W31 VanDerWaalsContact O-CD1 3.23Å; K29-W31 PolarHBondContact O-N 2.84Å; K29-W31 PolarHBondContact O-NE1 2.88Å; K29-Y326 PolarHBondContact NZ-OH 2.92Å; K29-N379 PolarHBondContact NZ-OD1 2.84Å; K29-N379 VanDerWaalsContact NZ-OD1 3.12Å
30K55.8Low61.1Low184 Ų18498.2 Ų98.280%0.848%0.478SS*.  trans-64.6110.6170.9-172.8-179.3177.1-172.20105.3L28L28-K30 PolarHBondContact O-N 3.16Å
31W64.1Low64Low62 Ų6294.2 Ų94.224%0.23545%0.452CS..PPolyproline II helixtrans-68.8144.1-178.6-64.795.7000109.7K29 Y326 E378 F421K29-W31 HydrophobicContact CD-CH2 4.46Å; K29-W31 HydrophobicContact CD-CZ3 4.43Å; K29-W31 VanDerWaalsContact O-CD1 3.23Å; K29-W31 PolarHBondContact O-N 2.84Å; K29-W31 PolarHBondContact O-NE1 2.88Å; W31-Y326 HydrophobicContact CE3-CE2 4.42Å; W31-E378 WeakPolarHBondContact CH2-O 3.28Å; W31-F421 HydrophobicContact CB-CD2 3.88Å; W31-F421 HydrophobicContact CB-CE2 3.45Å; W31-F421 VanDerWaalsContact CB-CE2 3.45Å; W31-F421 HydrophobicContact CB-CZ 4Å; W31-F421 AromaticContact CD1-CD2 3.39Å; W31-F421 AromaticContact CD1-CE2 3.75Å; W31-F421 HydrophobicContact CD2-CB 3.83Å; W31-F421 HydrophobicContact CD2-CD1 4.19Å; W31-F421 AromaticContact CD2-CD2 3.23Å; W31-F421 HydrophobicContact CD2-CD2 3.23Å; W31-F421 AromaticContact CD2-CE2 3.81Å; W31-F421 HydrophobicContact CD2-CE2 3.81Å; W31-F421 AromaticContact CD2-CG 3.47Å; W31-F421 HydrophobicContact CD2-CG 3.47Å; W31-F421 VanDerWaalsContact CD2-CG 3.47Å; W31-F421 AromaticContact CE2-CD2 3.53Å; W31-F421 AromaticContact CE2-CG 3.73Å; W31-F421 HydrophobicContact CE3-CB 3.91Å; W31-F421 AromaticContact CE3-CD1 3.91Å; W31-F421 HydrophobicContact CE3-CD1 3.91Å; W31-F421 AromaticContact CE3-CD2 3.83Å; W31-F421 HydrophobicContact CE3-CD2 3.83Å; W31-F421 HydrophobicContact CE3-CE1 4.46Å; W31-F421 HydrophobicContact CE3-CE2 4.36Å; W31-F421 AromaticContact CE3-CG 3.59Å; W31-F421 HydrophobicContact CE3-CG 3.59Å; W31-F421 AromaticContact CG-CD2 3.2Å; W31-F421 HydrophobicContact CG-CD2 3.2Å; W31-F421 AromaticContact CG-CE2 3.34Å; W31-F421 HydrophobicContact CG-CE2 3.34Å; W31-F421 AromaticContact CG-CG 3.96Å; W31-F421 HydrophobicContact CG-CG 3.96Å; W31-F421 HydrophobicContact CG-CZ 4.21Å; W31-F421 HydrophobicContact CH2-CB 3.62Å; W31-F421 HydrophobicContact CH2-CG 4.26Å; W31-F421 HydrophobicContact CZ2-CB 3.52Å; W31-F421 HydrophobicContact CZ2-CD2 4.36Å; W31-F421 HydrophobicContact CZ2-CG 4.15Å; W31-F421 HydrophobicContact CZ3-CB 3.8Å; W31-F421 HydrophobicContact CZ3-CD1 4.3Å; W31-F421 AromaticContact CZ3-CG 3.99Å; W31-F421 HydrophobicContact CZ3-CG 3.99Å; W31-F421 AromaticContact NE1-CD2 3.56Å
32D74.9Confident66.9Low31 Ų3191.1 Ų91.117%0.16643%0.43CS..PPolyproline II helixtrans-63.8147.8178.5-55.3-30.1000110.1F34 N139 D141 Y326D32-F34 WeakPolarHBondContact O-CD2 3.5Å; D32-N139 HydrophobicContact CB-CB 3.83Å; D32-N139 PolarHBondContact OD2-ND2 3.26Å; D32-D141 HydrophobicContact CB-CB 4.37Å; D32-Y326 HydrophobicContact CB-CE2 4.25Å; D32-Y326 VanDerWaalsContact OD2-CE2 3.31Å; D32-Y326 WeakPolarHBondContact OD2-CE2 3.47Å; D32-Y326 PolarHBondContact OD2-OH 2.9Å
33E82.9Confident70Confident143 Ų14390.1 Ų90.167%0.66842%0.42SS*.PPolyproline II helixtrans-70140.5171.9-67.4-178-173.300109.9N139 E140E33-N139 WeakPolarHBondContact O-CA 3.21Å; E33-E140 PolarHBondContact O-N 2.73Å
34F91.1Very high72.9Confident49 Ų4984.4 Ų84.422%0.21540%0.396CS..EExtended strand (participates in β ladder)trans-102.3130.5178.2-78.5-96.1000110.4D32 C137 V138 N139 H324 Y326 F421D32-F34 WeakPolarHBondContact O-CD2 3.5Å; F34-C137 HydrophobicContact CB-CB 3.97Å; F34-C137 HydrophobicContact CD1-CB 3.75Å; F34-C137 HydrophobicContact CG-CB 4.19Å; F34-V138 WeakPolarHBondContact CA-O 3.21Å; F34-N139 HydrophobicContact CD1-CB 4.47Å; F34-N139 HydrophobicContact CE1-CB 4.3Å; F34-N139 HydrophobicContact CZ-CB 4.46Å; F34-H324 HydrophobicContact CE1-CB 4.11Å; F34-Y326 HydrophobicContact CE1-CD2 4.45Å; F34-Y326 HydrophobicContact CE2-CD2 4.37Å; F34-Y326 AromaticContact CZ-CD2 3.75Å; F34-Y326 HydrophobicContact CZ-CD2 3.75Å; F34-F421 HydrophobicContact CD2-CE1 4.39Å; F34-F421 HydrophobicContact CD2-CZ 4.26Å; F34-F421 AromaticContact CE2-CE1 3.34Å; F34-F421 HydrophobicContact CE2-CE1 3.34Å; F34-F421 AromaticContact CE2-CZ 3.54Å; F34-F421 HydrophobicContact CE2-CZ 3.54Å; F34-F421 AromaticContact CZ-CE1 3.73Å; F34-F421 HydrophobicContact CZ-CE1 3.73Å; F34-F421 HydrophobicContact CZ-CZ 4.38Å
35E94.3Very high75.5Confident65 Ų6579 Ų7930%0.30439%0.385SS..EExtended strand (participates in β ladder)trans-96.7129.3171.9-173.3-172.9-177.800110.1I37 C137 V138 E140 Y177E35-I37 PolarHBondContact O-N 3.36Å; E35-C137 CarbonylContact O-C 3.54Å; E35-C137 VanDerWaalsContact O-CA 3.28Å; E35-C137 WeakPolarHBondContact O-CA 3.43Å; E35-V138 PolarHBondContact N-O 3.38Å; E35-V138 PolarHBondContact O-N 2.91Å; E35-E140 HydrophobicContact CB-CG 3.85Å; E35-Y177 PolarHBondContact OE2-OH 3.19Å
36D95.4Very high78.7Confident29 Ų2976.5 Ų76.516%0.15536%0.362CS..EExtended strand (participates in β ladder)trans-79.298.4168.4178.820.1000110.2L38 E39 R42 K135 V136D36-L38 PolarHBondContact O-N 3.14Å; D36-L38 VanDerWaalsContact O-N 3.14Å; D36-L38 WeakPolarHBondContact OD1-CB 3.42Å; D36-L38 PolarHBondContact OD1-N 3.01Å; D36-E39 HydrophobicContact CB-CB 4.37Å; D36-E39 PolarHBondContact O-N 2.91Å; D36-E39 VanDerWaalsContact O-N 3.13Å; D36-R42 IonicContact OD2-NH1 3.24Å; D36-R42 PolarHBondContact OD2-NH1 2.75Å; D36-K135 HydrophobicContact CB-CB 4.36Å; D36-K135 WeakPolarHBondContact OD1-CA 3.29Å; D36-K135 WeakPolarHBondContact OD2-CG 3.38Å; D36-V136 WeakPolarHBondContact CA-O 3.09Å; D36-V136 PolarHBondContact OD1-N 3.2Å
37I95.6Very high81.2Confident3 Ų377.9 Ų77.92%0.01537%0.372CS..Hα-helixtrans-66-18.2-179.169.3174.2000112.5E35 R41 V136 V138 F172 V173 N176 Y177E35-I37 PolarHBondContact O-N 3.36Å; I37-R41 WeakPolarHBondContact O-CG 3.45Å; I37-V136 HydrophobicContact CD1-CB 4.33Å; I37-V136 HydrophobicContact CD1-CG1 3.81Å; I37-V136 HydrophobicContact CG1-CB 3.88Å; I37-V136 HydrophobicContact CG1-CG1 3.87Å; I37-V136 WeakPolarHBondContact CG1-O 3.38Å; I37-V136 PolarHBondContact N-O 3.33Å; I37-V138 HydrophobicContact CD1-CG2 4.2Å; I37-V138 HydrophobicContact CG2-CB 4.33Å; I37-V138 HydrophobicContact CG2-CG2 3.94Å; I37-F172 HydrophobicContact CD1-CD1 4.01Å; I37-F172 HydrophobicContact CD1-CE1 3.72Å; I37-F172 HydrophobicContact CG1-CE1 4.43Å; I37-V173 HydrophobicContact CD1-CG2 3.92Å; I37-N176 HydrophobicContact CD1-CB 4.46Å; I37-Y177 HydrophobicContact CG2-CE2 3.91Å; I37-Y177 VanDerWaalsContact CG2-OH 3.24Å; I37-Y177 WeakPolarHBondContact CG2-OH 3.41Å
38L94.6Very high84Confident0 Ų077.3 Ų77.30%037%0.367CS..Hα-helixtrans-78.5-22.1177.6-66.6-172.8000112.8D36 R41 R42 F129 K130 F133 V136 F172D36-L38 PolarHBondContact O-N 3.14Å; D36-L38 VanDerWaalsContact O-N 3.14Å; D36-L38 WeakPolarHBondContact OD1-CB 3.42Å; D36-L38 PolarHBondContact OD1-N 3.01Å; L38-R41 CarbonylContact O-C 3.55Å; L38-R41 WeakPolarHBondContact O-CA 3.33Å; L38-R41 WeakPolarHBondContact O-CB 3.5Å; L38-R41 PolarHBondContact O-N 3.39Å; L38-R42 VanDerWaalsContact C-NH1 3.28Å; L38-R42 VanDerWaalsContact CB-NH2 3.32Å; L38-R42 WeakPolarHBondContact O-CG 3.22Å; L38-R42 PolarHBondContact O-N 2.89Å; L38-R42 PolarHBondContact O-NH1 2.97Å; L38-F129 HydrophobicContact CD1-CB 4.17Å; L38-F129 HydrophobicContact CD2-CB 4.01Å; L38-K130 HydrophobicContact CD2-CG 4.25Å; L38-F133 HydrophobicContact CD1-CB 4.28Å; L38-V136 HydrophobicContact CD1-CB 4.27Å; L38-V136 HydrophobicContact CD1-CG2 3.61Å; L38-V136 HydrophobicContact CD2-CG2 4.3Å; L38-V136 HydrophobicContact CG-CB 3.92Å; L38-V136 HydrophobicContact CG-CG2 3.74Å; L38-F172 HydrophobicContact CD2-CE1 4.24Å; L38-F172 HydrophobicContact CD2-CZ 4.32Å
39E93.3Very high86.5Confident91 Ų9170.4 Ų70.443%0.42533%0.33SS..Hα-helixtrans-63.1-50.5-174.4-174.853.3-152.700111D36 R41 R42 H43D36-E39 HydrophobicContact CB-CB 4.37Å; D36-E39 PolarHBondContact O-N 2.91Å; D36-E39 VanDerWaalsContact O-N 3.13Å; E39-R41 PolarHBondContact O-N 2.94Å; E39-R42 WeakPolarHBondContact O-CB 3.5Å; E39-R42 PolarHBondContact O-N 3.28Å; E39-R42 VanDerWaalsContact O-N 3.11Å; E39-R42 IonicContact OE2-NH1 2.77Å; E39-R42 PolarHBondContact OE2-NH1 2.9Å; E39-R42 VanDerWaalsContact OE2-NH1 3.16Å; E39-H43 PolarHBondContact O-CD2 3.17Å; E39-H43 IonicContact OE1-CD2 2.73Å; E39-H43 IonicContact OE1-CE1 2.77Å; E39-H43 IonicContact OE1-NE2 2.94Å; E39-H43 PolarHBondContact OE1-NE2 3.07Å
40E88.6Confident88.7Confident103 Ų10366.8 Ų66.848%0.48132%0.315SS..Hα-helixtrans-59.8-35.1173.3-157-156.4148.700111.8R42 H43 V44E40-R42 VanDerWaalsContact C-N 3.27Å; E40-R42 PolarHBondContact O-N 3.17Å; E40-H43 PolarHBondContact O-N 3.33Å; E40-V44 WeakPolarHBondContact O-CG2 3.46Å; E40-V44 PolarHBondContact O-N 3.23Å
41R90.5Very high90.6Very high20 Ų2063.3 Ų63.38%0.07530%0.303CS..Hα-helixtrans-71.3-19.3-180-57.8-60.9108.2-146.85.8113.4I37 L38 E39 H43 V44 K130I37-R41 WeakPolarHBondContact O-CG 3.45Å; L38-R41 CarbonylContact O-C 3.55Å; L38-R41 WeakPolarHBondContact O-CA 3.33Å; L38-R41 WeakPolarHBondContact O-CB 3.5Å; L38-R41 PolarHBondContact O-N 3.39Å; E39-R41 PolarHBondContact O-N 2.94Å; R41-H43 VanDerWaalsContact C-N 3.3Å; R41-V44 VanDerWaalsContact O-O 3.12Å; R41-K130 HydrophobicContact CB-CD 4.12Å; R41-K130 WeakPolarHBondContact O-CD 3.25Å; R41-K130 PolarHBondContact O-NZ 3.16Å
42R91.9Very high92Very high83 Ų8362.3 Ų62.331%0.31330%0.3SS..Hα-helixtrans-72.4-29173.1-71.4173.1-170.6100.69.8111.4D36 L38 E39 E40 K130 F133 S134D36-R42 IonicContact OD2-NH1 3.24Å; D36-R42 PolarHBondContact OD2-NH1 2.75Å; L38-R42 VanDerWaalsContact C-NH1 3.28Å; L38-R42 VanDerWaalsContact CB-NH2 3.32Å; L38-R42 WeakPolarHBondContact O-CG 3.22Å; L38-R42 PolarHBondContact O-N 2.89Å; L38-R42 PolarHBondContact O-NH1 2.97Å; E39-R42 WeakPolarHBondContact O-CB 3.5Å; E39-R42 PolarHBondContact O-N 3.28Å; E39-R42 VanDerWaalsContact O-N 3.11Å; E39-R42 IonicContact OE2-NH1 2.77Å; E39-R42 PolarHBondContact OE2-NH1 2.9Å; E39-R42 VanDerWaalsContact OE2-NH1 3.16Å; E40-R42 VanDerWaalsContact C-N 3.27Å; E40-R42 PolarHBondContact O-N 3.17Å; R42-K130 HydrophobicContact CG-CD 3.89Å; R42-K130 HydrophobicContact CG-CG 4.26Å; R42-F133 PolarHBondContact NH2-O 2.94Å; R42-S134 PolarHBondContact NH2-O 2.8Å
43H91.4Very high92.8Very high142 Ų14265.6 Ų65.666%0.65733%0.325SS*.Hα-helixtrans-95.3-9.3-178.4-55.5-61.8000113.8E39 E40 R41E39-H43 PolarHBondContact O-CD2 3.17Å; E39-H43 IonicContact OE1-CD2 2.73Å; E39-H43 IonicContact OE1-CE1 2.77Å; E39-H43 IonicContact OE1-NE2 2.94Å; E39-H43 PolarHBondContact OE1-NE2 3.07Å; E40-H43 PolarHBondContact O-N 3.33Å; R41-H43 VanDerWaalsContact C-N 3.3Å
44V90.4Very high93.2Very high38 Ų3860.4 Ų60.423%0.2330%0.299CS..SBendtrans-115143.2-178.9-179.10000111.5E40 R41 D46 K48E40-V44 WeakPolarHBondContact O-CG2 3.46Å; E40-V44 PolarHBondContact O-N 3.23Å; R41-V44 VanDerWaalsContact O-O 3.12Å; V44-D46 PolarHBondContact O-N 2.84Å; V44-K48 HydrophobicContact CG1-CB 4.38Å; V44-K48 HydrophobicContact CG1-CD 4.25Å
45S94.1Very high92.9Very high71 Ų7163.2 Ų63.250%0.49732%0.32SS..  trans-58.6128.6173.5172.70000111.8L47 K48 F49S45-L47 PolarHBondContact O-N 3.2Å; S45-L47 PolarHBondContact OG-N 3.25Å; S45-K48 WeakPolarHBondContact O-CB 3.26Å; S45-K48 PolarHBondContact O-N 2.89Å; S45-F49 PolarHBondContact O-N 3.44Å
46D94.8Very high92.5Very high23 Ų2361.4 Ų61.412%0.12331%0.314CS..Hα-helixtrans-56.4-35.2175.7-62.7-54.1000112.1V44 A50 F123 S126 K127 K130V44-D46 PolarHBondContact O-N 2.84Å; D46-A50 VanDerWaalsContact O-CB 3.27Å; D46-A50 WeakPolarHBondContact O-CB 3.37Å; D46-A50 PolarHBondContact O-N 3.33Å; D46-F123 HydrophobicContact CB-CD2 3.73Å; D46-F123 HydrophobicContact CB-CE2 3.83Å; D46-S126 WeakPolarHBondContact OD1-CB 3.26Å; D46-S126 PolarHBondContact OD1-OG 3.44Å; D46-K127 HydrophobicContact CB-CG 4.3Å; D46-K127 WeakPolarHBondContact OD2-CE 3.36Å; D46-K127 WeakPolarHBondContact OD2-CG 3.36Å; D46-K130 VanDerWaalsContact CG-NZ 3.3Å; D46-K130 WeakPolarHBondContact OD1-CE 3.48Å; D46-K130 IonicContact OD1-NZ 3.45Å; D46-K130 PolarHBondContact OD1-NZ 3.37Å; D46-K130 IonicContact OD2-NZ 2.64Å; D46-K130 PolarHBondContact OD2-NZ 3.01Å
47L94.8Very high91.6Very high105 Ų10563.4 Ų63.455%0.5533%0.328SS..Hα-helixtrans-69.6-40.3177.8-176.364.3000111S45 A50 M51 F123S45-L47 PolarHBondContact O-N 3.2Å; S45-L47 PolarHBondContact OG-N 3.25Å; L47-A50 PolarHBondContact O-N 2.8Å; L47-M51 HydrophobicContact CD1-CG 3.96Å; L47-M51 HydrophobicContact CG-CG 4.41Å; L47-M51 VanDerWaalsContact O-CB 3.28Å; L47-M51 WeakPolarHBondContact O-CB 3.42Å; L47-M51 VanDerWaalsContact O-CG 3.3Å; L47-M51 WeakPolarHBondContact O-CG 3.39Å; L47-M51 PolarHBondContact O-N 3.22Å; L47-F123 HydrophobicContact CB-CD2 4.43Å; L47-F123 HydrophobicContact CB-CE2 4.21Å
48K94.3Very high90.9Very high154 Ų15464.5 Ų64.567%0.6733%0.333SS*.Hα-helixtrans-64.1-42.7176.2-174.3-179.6177.8-174.80110.9V44 S45 M51 K52V44-K48 HydrophobicContact CG1-CB 4.38Å; V44-K48 HydrophobicContact CG1-CD 4.25Å; S45-K48 WeakPolarHBondContact O-CB 3.26Å; S45-K48 PolarHBondContact O-N 2.89Å; K48-M51 PolarHBondContact O-N 3.4Å; K48-K52 PolarHBondContact O-N 3.2Å; K48-K52 VanDerWaalsContact O-N 3.17Å
49F94.8Very high90Very high5 Ų565.4 Ų65.42%0.02234%0.337CS..Hα-helixtrans-59.5-52.6173.7170.2-108.8000111.7S45 M51 K52 A122 F172 Y175 N176S45-F49 PolarHBondContact O-N 3.44Å; F49-M51 VanDerWaalsContact C-N 3.25Å; F49-M51 PolarHBondContact O-N 3.32Å; F49-K52 WeakPolarHBondContact O-CB 3.35Å; F49-K52 VanDerWaalsContact O-CG 3.25Å; F49-K52 WeakPolarHBondContact O-CG 3.46Å; F49-K52 PolarHBondContact O-N 3.17Å; F49-A122 HydrophobicContact CD1-CB 4.44Å; F49-A122 HydrophobicContact CE1-CB 3.95Å; F49-F172 HydrophobicContact CE1-CD2 4.46Å; F49-F172 AromaticContact CE1-CE2 3.72Å; F49-F172 HydrophobicContact CE1-CE2 3.72Å; F49-F172 HydrophobicContact CE1-CZ 4.32Å; F49-F172 HydrophobicContact CZ-CE2 4.05Å; F49-F172 HydrophobicContact CZ-CZ 4.36Å; F49-Y175 HydrophobicContact CE1-CD1 4.06Å; F49-Y175 HydrophobicContact CE1-CE1 4.18Å; F49-Y175 HydrophobicContact CE2-CD1 4.34Å; F49-Y175 HydrophobicContact CE2-CE1 4.45Å; F49-Y175 AromaticContact CZ-CD1 3.73Å; F49-Y175 HydrophobicContact CZ-CD1 3.73Å; F49-Y175 HydrophobicContact CZ-CE1 4.09Å; F49-N176 HydrophobicContact CE2-CB 4.43Å; F49-N176 HydrophobicContact CZ-CB 4.4Å
50A95.9Very high89Confident2 Ų269.3 Ų69.32%0.01735%0.348CS..Hα-helixtrans-64.6-28.1-17900000113.5D46 L47 R119 A122 F123 Y175D46-A50 VanDerWaalsContact O-CB 3.27Å; D46-A50 WeakPolarHBondContact O-CB 3.37Å; D46-A50 PolarHBondContact O-N 3.33Å; L47-A50 PolarHBondContact O-N 2.8Å; A50-R119 WeakPolarHBondContact CB-O 3.32Å; A50-R119 WeakPolarHBondContact O-CB 3.41Å; A50-R119 WeakPolarHBondContact O-CD 3.32Å; A50-R119 WeakPolarHBondContact O-CG 3.44Å; A50-R119 PolarHBondContact O-NE 2.67Å; A50-A122 HydrophobicContact CB-CB 4.3Å; A50-F123 HydrophobicContact CB-CB 3.66Å; A50-Y175 PolarHBondContact O-OH 3.22Å
51M95.6Very high87.8Confident110 Ų11067.5 Ų67.554%0.54236%0.357SS..THydrogen-bonded Turntrans-98.512.3-179.8-63.4-63.7-73.500113L47 K48 F49L47-M51 HydrophobicContact CD1-CG 3.96Å; L47-M51 HydrophobicContact CG-CG 4.41Å; L47-M51 VanDerWaalsContact O-CB 3.28Å; L47-M51 WeakPolarHBondContact O-CB 3.42Å; L47-M51 VanDerWaalsContact O-CG 3.3Å; L47-M51 WeakPolarHBondContact O-CG 3.39Å; L47-M51 PolarHBondContact O-N 3.22Å; K48-M51 PolarHBondContact O-N 3.4Å; F49-M51 VanDerWaalsContact C-N 3.25Å; F49-M51 PolarHBondContact O-N 3.32Å
52K93.6Very high87.1Confident41 Ų4169 Ų6918%0.17837%0.368CS..SBendtrans-57.6157.4178.375176.4178.4160.10112K48 F49 Y54 R119 Y175 N176 D178K48-K52 PolarHBondContact O-N 3.2Å; K48-K52 VanDerWaalsContact O-N 3.17Å; F49-K52 WeakPolarHBondContact O-CB 3.35Å; F49-K52 VanDerWaalsContact O-CG 3.25Å; F49-K52 WeakPolarHBondContact O-CG 3.46Å; F49-K52 PolarHBondContact O-N 3.17Å; K52-Y54 PolarHBondContact O-N 2.93Å; K52-Y54 VanDerWaalsContact O-N 3.16Å; K52-R119 PolarHBondContact O-NH2 3.31Å; K52-Y175 WeakPolarHBondContact CE-O 3.32Å; K52-Y175 HydrophobicContact CG-CE1 4.46Å; K52-Y175 PolarHBondContact NZ-O 3.2Å; K52-N176 PolarHBondContact NZ-O 2.99Å; K52-D178 WeakPolarHBondContact CE-OD1 3.45Å; K52-D178 IonicContact NZ-OD1 2.66Å; K52-D178 PolarHBondContact NZ-OD1 3.22Å; K52-D178 IonicContact NZ-OD2 3.21Å; K52-D178 PolarHBondContact NZ-OD2 3.29Å
53C91.4Very high86.1Confident101 Ų10170.6 Ų70.668%0.68239%0.387SS*.  trans-62.8117.8168.9-167.90000107.5
54Y90.3Very high85.3Confident33 Ų3368.1 Ų68.113%0.12938%0.384CS..  trans-121.299-175.7176.2-111.7000108.3K52 P56 Y175 L179 P180 V181K52-Y54 PolarHBondContact O-N 2.93Å; K52-Y54 VanDerWaalsContact O-N 3.16Å; Y54-P56 HydrophobicContact CE1-CG 4.05Å; Y54-P56 HydrophobicContact CE2-CB 4.15Å; Y54-P56 HydrophobicContact CE2-CG 4.07Å; Y54-Y175 HydrophobicContact CD1-CE2 4.16Å; Y54-Y175 AromaticContact CD2-CD2 3.82Å; Y54-Y175 HydrophobicContact CD2-CD2 3.82Å; Y54-Y175 AromaticContact CD2-CE2 3.65Å; Y54-Y175 HydrophobicContact CD2-CE2 3.65Å; Y54-Y175 AromaticContact CE2-CD2 3.76Å; Y54-Y175 HydrophobicContact CE2-CD2 3.76Å; Y54-Y175 HydrophobicContact CE2-CE2 4.06Å; Y54-Y175 HydrophobicContact CG-CD2 4.26Å; Y54-Y175 AromaticContact CG-CE2 3.69Å; Y54-Y175 HydrophobicContact CG-CE2 3.69Å; Y54-L179 PolarHBondContact OH-O 2.99Å; Y54-P180 WeakPolarHBondContact OH-CA 3.45Å; Y54-V181 PolarHBondContact OH-N 3.25Å
55T85.6Confident84.7Confident108 Ų10867.6 Ų67.666%0.66338%0.382SS*.  trans-134.770.4-176.346.30000108.3
56P84.8Confident84.3Confident27 Ų2771.3 Ų71.318%0.17539%0.389CS..  trans-66.1146.1-173.730.8-37.9000110.5Y54 L58 D178 P180Y54-P56 HydrophobicContact CE1-CG 4.05Å; Y54-P56 HydrophobicContact CE2-CB 4.15Å; Y54-P56 HydrophobicContact CE2-CG 4.07Å; P56-L58 HydrophobicContact CG-CD2 4.45Å; P56-D178 VanDerWaalsContact CA-O 3.25Å; P56-D178 WeakPolarHBondContact CA-O 3.31Å; P56-D178 VanDerWaalsContact CB-O 3.25Å; P56-D178 WeakPolarHBondContact CB-O 3.42Å; P56-P180 HydrophobicContact CB-CB 4.29Å; P56-P180 HydrophobicContact CB-CG 3.9Å; P56-P180 HydrophobicContact CG-CB 4.4Å; P56-P180 HydrophobicContact CG-CG 4.41Å
57T78.4Confident84Confident71 Ų7171.7 Ų71.744%0.43639%0.392SS..  trans-73.6134.2176-46.70000109.6Q151 P180T57-Q151 HydrophobicContact CG2-CG 3.71Å; T57-P180 WeakPolarHBondContact O-CG 3.37Å
58L79.9Confident83.8Confident26 Ų2670.4 Ų70.414%0.13639%0.392CS..  trans-115.9153.4-172.8-58.5177.6000111.7P56 R60 G61 V62 P64 P180 Y234P56-L58 HydrophobicContact CG-CD2 4.45Å; L58-R60 PolarHBondContact O-N 3.43Å; L58-G61 PolarHBondContact O-N 3.21Å; L58-G61 VanDerWaalsContact O-N 3.15Å; L58-V62 WeakPolarHBondContact CD1-O 3.47Å; L58-P64 HydrophobicContact CD1-CG 3.6Å; L58-P180 HydrophobicContact CD2-CB 4.03Å; L58-P180 HydrophobicContact CD2-CG 3.65Å; L58-Y234 VanDerWaalsContact CD2-O 3.31Å; L58-Y234 WeakPolarHBondContact CD2-O 3.42Å
59Y76.6Confident83.7Confident20 Ų2066.2 Ų66.28%0.07838%0.38CS..G310 helixtrans-46.7120.1172.2172.2-122.7000110.8G61 V62 V150 E152 P154 G233Y59-G61 PolarHBondContact O-N 3.38Å; Y59-V62 HydrophobicContact CD1-CG2 4.3Å; Y59-V62 VanDerWaalsContact O-CB 3.31Å; Y59-V62 WeakPolarHBondContact O-CB 3.34Å; Y59-V62 WeakPolarHBondContact O-CG2 3.17Å; Y59-V62 PolarHBondContact O-N 3.01Å; Y59-V150 WeakPolarHBondContact CA-O 3.49Å; Y59-V150 WeakPolarHBondContact CB-O 3.35Å; Y59-V150 PolarHBondContact N-O 2.88Å; Y59-V150 VanDerWaalsContact N-O 3.14Å; Y59-E152 WeakPolarHBondContact CE2-O 3.41Å; Y59-P154 HydrophobicContact CE1-CG 4.43Å; Y59-G233 WeakPolarHBondContact CB-O 3.44Å
60R71.4Confident83.5Confident172 Ų17266 Ų6665%0.64938%0.379SS*.G310 helixtrans49.227.7178.4-64.6179.7179.4-174.10.4115.6L58 V62 Q151L58-R60 PolarHBondContact O-N 3.43Å; R60-V62 HydrophobicContact CB-CG2 4.44Å; R60-V62 PolarHBondContact O-N 3.2Å; R60-Q151 PolarHBondContact N-O 3.42Å
61G63.4Low83.4Confident66 Ų6667 Ų6768%0.6838%0.383SS*.G310 helixtrans63.223-176.900000113.8L58 Y59 T63L58-G61 PolarHBondContact O-N 3.21Å; L58-G61 VanDerWaalsContact O-N 3.15Å; Y59-G61 PolarHBondContact O-N 3.38Å; G61-T63 PolarHBondContact O-N 3.18Å
62V76.4Confident83.3Confident50 Ų5064.7 Ų64.730%0.30338%0.377SS..PPolyproline II helixtrans-58.6132.1178171.60000109.6L58 Y59 R60L58-V62 WeakPolarHBondContact CD1-O 3.47Å; Y59-V62 HydrophobicContact CD1-CG2 4.3Å; Y59-V62 VanDerWaalsContact O-CB 3.31Å; Y59-V62 WeakPolarHBondContact O-CB 3.34Å; Y59-V62 WeakPolarHBondContact O-CG2 3.17Å; Y59-V62 PolarHBondContact O-N 3.01Å; R60-V62 HydrophobicContact CB-CG2 4.44Å; R60-V62 PolarHBondContact O-N 3.2Å
63T69.9Low83.4Confident117 Ų11766 Ų6672%0.71839%0.385SS*.PPolyproline II helixtrans-68.9131.7173.650.50000110.3G61 C65G61-T63 PolarHBondContact O-N 3.18Å; T63-C65 PolarHBondContact O-N 3.45Å; T63-C65 VanDerWaalsContact O-N 3.15Å
64P73.9Confident83.6Confident91 Ų9161.2 Ų61.259%0.59135%0.353SS*.PPolyproline II helixtrans-49.8122.9175.4-26.631.7000111.9L58L58-P64 HydrophobicContact CD1-CG 3.6Å
65C78.4Confident83.8Confident26 Ų2662 Ų6218%0.17636%0.357CS..PPolyproline II helixtrans-78.4130.2179.2-166.80000109.5T63 V69 I70 Y234T63-C65 PolarHBondContact O-N 3.45Å; T63-C65 VanDerWaalsContact O-N 3.15Å; C65-V69 VanDerWaalsContact SG-CB 3.56Å; C65-V69 WeakPolarHBondContact SG-CG1 3.48Å; C65-I70 HydrophobicContact CB-CD1 4.34Å; C65-I70 HydrophobicContact CB-CG1 4.06Å; C65-Y234 HydrophobicContact CB-CD1 4.15Å; C65-Y234 HydrophobicContact CB-CE1 4.33Å
66K86.4Confident84.2Confident150 Ų15060.8 Ų60.865%0.65235%0.347SS*.PPolyproline II helixtrans-64.2141.2173.9-68.9-178.8-178.1175.40109S68 V69 I70K66-S68 PolarHBondContact O-N 3.46Å; K66-S68 VanDerWaalsContact O-N 3.08Å; K66-V69 HydrophobicContact CB-CG2 4.19Å; K66-V69 WeakPolarHBondContact O-CB 3.43Å; K66-V69 PolarHBondContact O-N 2.85Å; K66-I70 PolarHBondContact O-N 3.43Å
67P87.9Confident84.7Confident30 Ų3060.1 Ų60.120%0.19534%0.343CS..Hα-helixtrans-52.8-36179.2-3035.4000114.2V69 I70 K71 L113P67-V69 VanDerWaalsContact C-N 3.32Å; P67-V69 PolarHBondContact O-N 2.7Å; P67-I70 PolarHBondContact O-N 2.99Å; P67-K71 WeakPolarHBondContact O-CG 3.34Å; P67-K71 PolarHBondContact O-N 2.96Å; P67-K71 VanDerWaalsContact O-N 3.08Å; P67-L113 HydrophobicContact CG-CB 4.47Å
68S90.3Very high85.5Confident78 Ų7863 Ų6355%0.54535%0.351SS..Hα-helixtrans-63.3-34.3176.553.70000113.6K66 K71 S72K66-S68 PolarHBondContact O-N 3.46Å; K66-S68 VanDerWaalsContact O-N 3.08Å; S68-K71 PolarHBondContact O-N 3.4Å; S68-S72 PolarHBondContact O-N 3.48Å
69V91.8Very high86.2Confident67 Ų6762.4 Ų62.441%0.40635%0.348SS..Hα-helixtrans-70.9-41177.8177.30000109.9C65 K66 P67 K71 S72 I73C65-V69 VanDerWaalsContact SG-CB 3.56Å; C65-V69 WeakPolarHBondContact SG-CG1 3.48Å; K66-V69 HydrophobicContact CB-CG2 4.19Å; K66-V69 WeakPolarHBondContact O-CB 3.43Å; K66-V69 PolarHBondContact O-N 2.85Å; P67-V69 VanDerWaalsContact C-N 3.32Å; P67-V69 PolarHBondContact O-N 2.7Å; V69-K71 VanDerWaalsContact C-N 3.31Å; V69-K71 PolarHBondContact O-N 3.15Å; V69-S72 WeakPolarHBondContact O-CB 3.3Å; V69-S72 PolarHBondContact O-N 3.37Å; V69-S72 VanDerWaalsContact O-N 3.15Å; V69-I73 HydrophobicContact CG1-CD1 3.97Å; V69-I73 HydrophobicContact CG1-CG1 4.42Å; V69-I73 WeakPolarHBondContact O-CG1 3.46Å; V69-I73 PolarHBondContact O-N 3.26Å
70I92Very high87.1Confident0 Ų061.5 Ų61.50%034%0.344CS..Hα-helixtrans-58.2-46.6174-58.5171000110.3C65 K66 P67 S72 I73 V74 Y225 T228 M229 Y234C65-I70 HydrophobicContact CB-CD1 4.34Å; C65-I70 HydrophobicContact CB-CG1 4.06Å; K66-I70 PolarHBondContact O-N 3.43Å; P67-I70 PolarHBondContact O-N 2.99Å; I70-S72 VanDerWaalsContact C-N 3.3Å; I70-S72 PolarHBondContact O-N 3.01Å; I70-I73 PolarHBondContact O-N 2.85Å; I70-V74 HydrophobicContact CG2-CG2 4.44Å; I70-V74 VanDerWaalsContact O-CG2 3.3Å; I70-V74 WeakPolarHBondContact O-CG2 3.5Å; I70-V74 PolarHBondContact O-N 3.29Å; I70-Y225 HydrophobicContact CG2-CD2 4.24Å; I70-Y225 HydrophobicContact CG2-CE2 3.89Å; I70-T228 HydrophobicContact CG2-CG2 4.09Å; I70-M229 HydrophobicContact CD1-SD 3.88Å; I70-M229 HydrophobicContact CG2-SD 4.24Å; I70-Y234 HydrophobicContact CD1-CE1 3.44Å; I70-Y234 VanDerWaalsContact CD1-CE1 3.44Å; I70-Y234 WeakPolarHBondContact CD1-OH 3.47Å; I70-Y234 HydrophobicContact CG1-CE1 4.46Å
71K93.4Very high88.3Confident24 Ų2455.9 Ų55.910%0.10433%0.325CS..Hα-helixtrans-59.6-43.4176.9-64.2-171.5-150.9-157.50111.8P67 S68 V69 V74 F75 L106 E107 S110P67-K71 WeakPolarHBondContact O-CG 3.34Å; P67-K71 PolarHBondContact O-N 2.96Å; P67-K71 VanDerWaalsContact O-N 3.08Å; S68-K71 PolarHBondContact O-N 3.4Å; V69-K71 VanDerWaalsContact C-N 3.31Å; V69-K71 PolarHBondContact O-N 3.15Å; K71-V74 PolarHBondContact O-N 3.44Å; K71-F75 VanDerWaalsContact O-CB 3.25Å; K71-F75 WeakPolarHBondContact O-CB 3.16Å; K71-F75 PolarHBondContact O-N 2.76Å; K71-L106 HydrophobicContact CB-CD2 3.77Å; K71-L106 HydrophobicContact CB-CG 4.2Å; K71-L106 HydrophobicContact CD-CG 4.39Å; K71-L106 HydrophobicContact CG-CD1 4.48Å; K71-L106 HydrophobicContact CG-CD2 4.21Å; K71-L106 HydrophobicContact CG-CG 4.06Å; K71-L106 WeakPolarHBondContact O-CD2 3.32Å; K71-E107 WeakPolarHBondContact CD-OE1 3.3Å; K71-E107 IonicContact NZ-OE1 2.76Å; K71-E107 PolarHBondContact NZ-OE1 2.73Å; K71-E107 IonicContact NZ-OE2 3.17Å; K71-E107 PolarHBondContact NZ-OE2 3.46Å; K71-S110 WeakPolarHBondContact CE-OG 3.41Å; K71-S110 PolarHBondContact NZ-OG 3.01Å
72S94.4Very high89.8Confident60 Ų6056.7 Ų56.742%0.4231%0.308SS..Hα-helixtrans-62.3-42.8177.2-172.60000112.5S68 V69 I70 N76S68-S72 PolarHBondContact O-N 3.48Å; V69-S72 WeakPolarHBondContact O-CB 3.3Å; V69-S72 PolarHBondContact O-N 3.37Å; V69-S72 VanDerWaalsContact O-N 3.15Å; I70-S72 VanDerWaalsContact C-N 3.3Å; I70-S72 PolarHBondContact O-N 3.01Å; S72-N76 VanDerWaalsContact O-CB 3.3Å; S72-N76 WeakPolarHBondContact O-CB 3.35Å; S72-N76 PolarHBondContact O-N 3.37Å; S72-N76 PolarHBondContact O-ND2 3.45Å; S72-N76 PolarHBondContact OG-ND2 2.76Å
73I94.2Very high90.7Very high68 Ų6854.8 Ų54.835%0.34930%0.297SS..Hα-helixtrans-60.3-48.5176.4-68.4164.7000110.5V69 I70 N76 S77 T228V69-I73 HydrophobicContact CG1-CD1 3.97Å; V69-I73 HydrophobicContact CG1-CG1 4.42Å; V69-I73 WeakPolarHBondContact O-CG1 3.46Å; V69-I73 PolarHBondContact O-N 3.26Å; I70-I73 PolarHBondContact O-N 2.85Å; I73-N76 PolarHBondContact O-N 2.94Å; I73-S77 PolarHBondContact O-N 2.95Å; I73-T228 HydrophobicContact CB-CG2 4.31Å; I73-T228 HydrophobicContact CG2-CG2 3.78Å
74V95.1Very high91.9Very high1 Ų149.4 Ų49.41%0.00626%0.263CS..Hα-helixtrans-63.8-48.3-179173.50000110.9I70 K71 N76 S77 I80 L106 E224 Y225 T228I70-V74 HydrophobicContact CG2-CG2 4.44Å; I70-V74 VanDerWaalsContact O-CG2 3.3Å; I70-V74 WeakPolarHBondContact O-CG2 3.5Å; I70-V74 PolarHBondContact O-N 3.29Å; K71-V74 PolarHBondContact O-N 3.44Å; V74-N76 VanDerWaalsContact C-N 3.28Å; V74-N76 PolarHBondContact O-N 3.45Å; V74-S77 WeakPolarHBondContact O-CB 3.29Å; V74-S77 PolarHBondContact O-N 3.32Å; V74-S77 PolarHBondContact O-OG 3.42Å; V74-I80 WeakPolarHBondContact O-CG1 3.35Å; V74-L106 HydrophobicContact CB-CD1 4.44Å; V74-L106 HydrophobicContact CB-CD2 4.37Å; V74-L106 HydrophobicContact CG1-CD1 4.08Å; V74-L106 HydrophobicContact CG1-CD2 4.36Å; V74-E224 HydrophobicContact CG1-CB 4.23Å; V74-E224 HydrophobicContact CG1-CG 4.03Å; V74-Y225 HydrophobicContact CG2-CD2 4.15Å; V74-T228 HydrophobicContact CG2-CG2 4.07Å; V74-T228 WeakPolarHBondContact CG2-OG1 3.37Å
75F94.9Very high92.9Very high49 Ų4951.1 Ų51.122%0.21526%0.262CS..Hα-helixtrans-62.6-35.4-178.4-174.3-106.3000112.6K71 R99 L106K71-F75 VanDerWaalsContact O-CB 3.25Å; K71-F75 WeakPolarHBondContact O-CB 3.16Å; K71-F75 PolarHBondContact O-N 2.76Å; F75-R99 HydrophobicContact CZ-CB 4.33Å; F75-L106 HydrophobicContact CB-CD2 4.21Å
76N95.1Very high93.6Very high84 Ų8453.2 Ų53.245%0.44927%0.269SS..THydrogen-bonded Turntrans-91.72.9179.7-66.4-43000113.9S72 I73 V74 H81S72-N76 VanDerWaalsContact O-CB 3.3Å; S72-N76 WeakPolarHBondContact O-CB 3.35Å; S72-N76 PolarHBondContact O-N 3.37Å; S72-N76 PolarHBondContact O-ND2 3.45Å; S72-N76 PolarHBondContact OG-ND2 2.76Å; I73-N76 PolarHBondContact O-N 2.94Å; V74-N76 VanDerWaalsContact C-N 3.28Å; V74-N76 PolarHBondContact O-N 3.45Å; N76-H81 PolarHBondContact O-CE1 3.47Å; N76-H81 PolarHBondContact O-ND1 2.94Å
77S95.8Very high94Very high13 Ų1347.1 Ų47.19%0.09124%0.243CC..  trans-63.6148.1-179.567.30000112.1I73 V74 E79 I80 H81 E224I73-S77 PolarHBondContact O-N 2.95Å; V74-S77 WeakPolarHBondContact O-CB 3.29Å; V74-S77 PolarHBondContact O-N 3.32Å; V74-S77 PolarHBondContact O-OG 3.42Å; S77-E79 PolarHBondContact O-N 3.48Å; S77-I80 PolarHBondContact O-N 2.89Å; S77-I80 WeakPolarHBondContact OG-CB 3.23Å; S77-I80 WeakPolarHBondContact OG-CG1 3.23Å; S77-I80 PolarHBondContact OG-N 3.07Å; S77-H81 PolarHBondContact O-N 2.94Å; S77-H81 VanDerWaalsContact O-N 3.17Å; S77-H81 PolarHBondContact O-ND1 3.32Å; S77-H81 VanDerWaalsContact O-ND1 3.11Å; S77-E224 VanDerWaalsContact CB-OE1 3.29Å; S77-E224 WeakPolarHBondContact CB-OE1 3.48Å
78E94.5Very high94.3Very high130 Ų13046.9 Ų46.961%0.60724%0.242SC*.Hα-helixtrans-63.5-32.6177.7-65.3-177.5159.400112H81 Y82 Y352E78-H81 PolarHBondContact O-N 2.83Å; E78-Y82 VanDerWaalsContact O-CB 3.31Å; E78-Y82 WeakPolarHBondContact O-CB 3.49Å; E78-Y82 PolarHBondContact O-N 2.91Å; E78-Y352 VanDerWaalsContact CB-CB 3.48Å; E78-Y352 HydrophobicContact CB-CD1 4.06Å; E78-Y352 HydrophobicContact CB-CD2 4.3Å; E78-Y352 HydrophobicContact CB-CG 3.71Å; E78-Y352 WeakPolarHBondContact OE2-CD1 3.45Å
79E93.8Very high94.5Very high14 Ų1453 Ų537%0.06525%0.253CS..Hα-helixtrans-64.9-45.6179.5-177.4168.7143.200111.1S77 Y82 V83 K227 K268 Y352 P354S77-E79 PolarHBondContact O-N 3.48Å; E79-Y82 PolarHBondContact O-N 2.93Å; E79-V83 WeakPolarHBondContact O-CG2 3.35Å; E79-V83 PolarHBondContact O-N 3.11Å; E79-K227 IonicContact OE1-NZ 2.94Å; E79-K227 PolarHBondContact OE1-NZ 3.41Å; E79-K227 IonicContact OE2-NZ 3.24Å; E79-K227 PolarHBondContact OE2-NZ 2.94Å; E79-K268 IonicContact OE2-NZ 2.67Å; E79-Y352 VanDerWaalsContact CA-O 3.29Å; E79-Y352 WeakPolarHBondContact CA-O 3.26Å; E79-Y352 WeakPolarHBondContact CB-O 3.24Å; E79-Y352 WeakPolarHBondContact CG-O 3.43Å; E79-P354 HydrophobicContact CG-CG 4.17Å
80I95.9Very high94.5Very high1 Ų154.6 Ų54.61%0.00526%0.257CS..Hα-helixtrans-66.9-42.7177.7-62.4-57000111.2V74 S77 Y82 V83 I84 A220 V221 E224V74-I80 WeakPolarHBondContact O-CG1 3.35Å; S77-I80 PolarHBondContact O-N 2.89Å; S77-I80 WeakPolarHBondContact OG-CB 3.23Å; S77-I80 WeakPolarHBondContact OG-CG1 3.23Å; S77-I80 PolarHBondContact OG-N 3.07Å; I80-Y82 VanDerWaalsContact C-N 3.3Å; I80-Y82 PolarHBondContact O-N 3.29Å; I80-V83 PolarHBondContact O-N 3.18Å; I80-I84 HydrophobicContact CG2-CD1 3.68Å; I80-I84 HydrophobicContact CG2-CG1 4.28Å; I80-I84 WeakPolarHBondContact O-CB 3.44Å; I80-I84 VanDerWaalsContact O-CG1 3.28Å; I80-I84 WeakPolarHBondContact O-CG1 3.32Å; I80-I84 PolarHBondContact O-N 2.9Å; I80-A220 VanDerWaalsContact CD1-C 3.45Å; I80-A220 HydrophobicContact CD1-CB 3.92Å; I80-V221 HydrophobicContact CD1-CB 4.34Å; I80-V221 HydrophobicContact CD1-CG2 3.88Å; I80-E224 HydrophobicContact CD1-CB 4.13Å; I80-E224 HydrophobicContact CG1-CB 4.28Å; I80-E224 HydrophobicContact CG1-CG 4.21Å
81H95.7Very high94.2Very high54 Ų5457.3 Ų57.325%0.2528%0.275CS..Hα-helixtrans-59.6-40.9174.4-73.1133.8000112.6N76 S77 E78 K85 R99N76-H81 PolarHBondContact O-CE1 3.47Å; N76-H81 PolarHBondContact O-ND1 2.94Å; S77-H81 PolarHBondContact O-N 2.94Å; S77-H81 VanDerWaalsContact O-N 3.17Å; S77-H81 PolarHBondContact O-ND1 3.32Å; S77-H81 VanDerWaalsContact O-ND1 3.11Å; E78-H81 PolarHBondContact O-N 2.83Å; H81-K85 WeakPolarHBondContact O-CB 3.39Å; H81-K85 VanDerWaalsContact O-CG 3.31Å; H81-K85 WeakPolarHBondContact O-CG 3.41Å; H81-K85 PolarHBondContact O-N 3.33Å; H81-K85 VanDerWaalsContact O-N 3.11Å; H81-R99 PolarHBondContact CD2-NH1 3.39Å; H81-R99 VanDerWaalsContact CD2-NH1 3.32Å; H81-R99 PolarHBondContact NE2-NH1 2.96Å
82Y95.6Very high93.9Very high83 Ų8364 Ų6433%0.32531%0.311SS..Hα-helixtrans-64-50.6176.7177.5-91.2000111.5E78 E79 I80 I84 K85 Q86 Y352 I353E78-Y82 VanDerWaalsContact O-CB 3.31Å; E78-Y82 WeakPolarHBondContact O-CB 3.49Å; E78-Y82 PolarHBondContact O-N 2.91Å; E79-Y82 PolarHBondContact O-N 2.93Å; I80-Y82 VanDerWaalsContact C-N 3.3Å; I80-Y82 PolarHBondContact O-N 3.29Å; Y82-I84 PolarHBondContact O-N 3.21Å; Y82-K85 PolarHBondContact O-N 3.11Å; Y82-Q86 PolarHBondContact O-N 3.46Å; Y82-Y352 HydrophobicContact CD2-CD2 4.4Å; Y82-Y352 HydrophobicContact CD2-CE2 4.06Å; Y82-Y352 HydrophobicContact CG-CD2 4.35Å; Y82-Y352 HydrophobicContact CG-CE2 4.47Å; Y82-I353 HydrophobicContact CD2-CG1 4.28Å; Y82-I353 HydrophobicContact CE1-CG2 4.09Å; Y82-I353 HydrophobicContact CE2-CD1 4.29Å; Y82-I353 HydrophobicContact CE2-CG1 4.08Å
83V94.9Very high93.7Very high10 Ų1065.7 Ų65.76%0.06131%0.309CS..Hα-helixtrans-62.6-41.8-179.4171.70000111.5E79 I80 K85 Q86 L87 A220 P354E79-V83 WeakPolarHBondContact O-CG2 3.35Å; E79-V83 PolarHBondContact O-N 3.11Å; I80-V83 PolarHBondContact O-N 3.18Å; V83-K85 PolarHBondContact O-N 3.42Å; V83-Q86 PolarHBondContact O-N 2.82Å; V83-L87 HydrophobicContact CG1-CD1 3.74Å; V83-L87 HydrophobicContact CG1-CG 4.18Å; V83-L87 WeakPolarHBondContact O-CB 3.41Å; V83-L87 VanDerWaalsContact O-CG 3.31Å; V83-L87 WeakPolarHBondContact O-CG 3.39Å; V83-L87 PolarHBondContact O-N 3.34Å; V83-A220 HydrophobicContact CB-CB 4.17Å; V83-A220 HydrophobicContact CG1-CB 3.86Å; V83-A220 HydrophobicContact CG2-CB 3.94Å; V83-P354 HydrophobicContact CG2-CG 3.79Å
84I95.7Very high93.7Very high4 Ų465.2 Ų65.22%0.02131%0.311CS..Hα-helixtrans-61.5-45.4176.2-71.9172.7000110.9I80 Y82 Q86 L87 S88 V95 L98 R99 A102 L217I80-I84 HydrophobicContact CG2-CD1 3.68Å; I80-I84 HydrophobicContact CG2-CG1 4.28Å; I80-I84 WeakPolarHBondContact O-CB 3.44Å; I80-I84 VanDerWaalsContact O-CG1 3.28Å; I80-I84 WeakPolarHBondContact O-CG1 3.32Å; I80-I84 PolarHBondContact O-N 2.9Å; Y82-I84 PolarHBondContact O-N 3.21Å; I84-Q86 VanDerWaalsContact C-N 3.33Å; I84-Q86 PolarHBondContact O-N 3.17Å; I84-L87 PolarHBondContact O-N 3.25Å; I84-S88 VanDerWaalsContact O-CB 3.3Å; I84-S88 WeakPolarHBondContact O-CB 3.49Å; I84-S88 PolarHBondContact O-N 2.93Å; I84-V95 HydrophobicContact CG2-CB 4.48Å; I84-V95 HydrophobicContact CG2-CG1 3.87Å; I84-L98 HydrophobicContact CG1-CB 4.42Å; I84-L98 HydrophobicContact CG2-CB 3.85Å; I84-L98 HydrophobicContact CG2-CD1 4.3Å; I84-R99 HydrophobicContact CD1-CG 3.93Å; I84-R99 HydrophobicContact CG2-CG 4.46Å; I84-A102 HydrophobicContact CD1-CB 4.22Å; I84-L217 HydrophobicContact CG1-CD1 3.85Å
85K95.1Very high93.6Very high127 Ų12767.8 Ų67.855%0.55233%0.327SS*.Hα-helixtrans-62.3-40.6176.9-75.6177.3-177.9179.30111.8H81 Y82 V83 R89H81-K85 WeakPolarHBondContact O-CB 3.39Å; H81-K85 VanDerWaalsContact O-CG 3.31Å; H81-K85 WeakPolarHBondContact O-CG 3.41Å; H81-K85 PolarHBondContact O-N 3.33Å; H81-K85 VanDerWaalsContact O-N 3.11Å; Y82-K85 PolarHBondContact O-N 3.11Å; V83-K85 PolarHBondContact O-N 3.42Å; K85-R89 WeakPolarHBondContact O-CG 3.32Å; K85-R89 PolarHBondContact O-N 3.19Å
86Q93.9Very high93.5Very high71 Ų7170.6 Ų70.633%0.33234%0.344SS..Hα-helixtrans-64.4-49.1176.7-178.1177.8-10.200111.4Y82 V83 I84 S88 R89 E90Y82-Q86 PolarHBondContact O-N 3.46Å; V83-Q86 PolarHBondContact O-N 2.82Å; I84-Q86 VanDerWaalsContact C-N 3.33Å; I84-Q86 PolarHBondContact O-N 3.17Å; Q86-S88 VanDerWaalsContact C-N 3.34Å; Q86-S88 PolarHBondContact O-N 2.93Å; Q86-R89 WeakPolarHBondContact O-CB 3.41Å; Q86-R89 PolarHBondContact O-N 3.34Å; Q86-E90 WeakPolarHBondContact CG-OE1 3.39Å; Q86-E90 PolarHBondContact NE2-OE1 3.38Å; Q86-E90 WeakPolarHBondContact O-CG 3.39Å; Q86-E90 PolarHBondContact O-N 2.87Å
87L94Very high93.5Very high21 Ų2169.4 Ų69.411%0.1134%0.34CS..Hα-helixtrans-65.5-35.4179.7-71.1175.8000112.8V83 I84 R89 E90 S91 L98 K216 L217V83-L87 HydrophobicContact CG1-CD1 3.74Å; V83-L87 HydrophobicContact CG1-CG 4.18Å; V83-L87 WeakPolarHBondContact O-CB 3.41Å; V83-L87 VanDerWaalsContact O-CG 3.31Å; V83-L87 WeakPolarHBondContact O-CG 3.39Å; V83-L87 PolarHBondContact O-N 3.34Å; I84-L87 PolarHBondContact O-N 3.25Å; L87-R89 VanDerWaalsContact C-N 3.27Å; L87-R89 PolarHBondContact O-N 3.06Å; L87-E90 PolarHBondContact O-N 2.79Å; L87-S91 WeakPolarHBondContact O-CB 3.33Å; L87-S91 PolarHBondContact O-N 2.87Å; L87-S91 PolarHBondContact O-OG 3.48Å; L87-L98 HydrophobicContact CB-CD1 3.98Å; L87-K216 HydrophobicContact CD1-CB 4.3Å; L87-K216 HydrophobicContact CD2-CB 4.04Å; L87-K216 HydrophobicContact CD2-CD 3.8Å; L87-L217 HydrophobicContact CD1-CB 3.72Å; L87-L217 HydrophobicContact CD1-CD1 4.31Å
88S94.6Very high93.5Very high25 Ų2569 Ų6918%0.17534%0.337CS..Hα-helixtrans-60-40.5174.4-179.90000111.2I84 Q86 L92 R93I84-S88 VanDerWaalsContact O-CB 3.3Å; I84-S88 WeakPolarHBondContact O-CB 3.49Å; I84-S88 PolarHBondContact O-N 2.93Å; Q86-S88 VanDerWaalsContact C-N 3.34Å; Q86-S88 PolarHBondContact O-N 2.93Å; S88-L92 WeakPolarHBondContact O-CA 3.22Å; S88-L92 PolarHBondContact O-N 3.11Å; S88-L92 VanDerWaalsContact O-N 3.08Å; S88-R93 WeakPolarHBondContact CA-O 3.44Å; S88-R93 WeakPolarHBondContact CB-O 3.46Å; S88-R93 PolarHBondContact OG-O 3.39Å
89R93.4Very high93.5Very high206 Ų20666.1 Ų66.178%0.77732%0.32SS*.Hα-helixtrans-69.9-41.4175.1-67.2171.2-178.8176.9-1.2112.9K85 Q86 L87K85-R89 WeakPolarHBondContact O-CG 3.32Å; K85-R89 PolarHBondContact O-N 3.19Å; Q86-R89 WeakPolarHBondContact O-CB 3.41Å; Q86-R89 PolarHBondContact O-N 3.34Å; L87-R89 VanDerWaalsContact C-N 3.27Å; L87-R89 PolarHBondContact O-N 3.06Å
90E92.3Very high93.6Very high102 Ų10271.9 Ų71.948%0.47735%0.347SS..Hα-helixtrans-71.9-37.6-178.4-71.8177.5-168.300112.9Q86 L87 K216Q86-E90 WeakPolarHBondContact CG-OE1 3.39Å; Q86-E90 PolarHBondContact NE2-OE1 3.38Å; Q86-E90 WeakPolarHBondContact O-CG 3.39Å; Q86-E90 PolarHBondContact O-N 2.87Å; L87-E90 PolarHBondContact O-N 2.79Å; E90-K216 IonicContact OE1-NZ 3.84Å; E90-K216 IonicContact OE2-NZ 3.75Å; E90-K216 PolarHBondContact OE2-NZ 3.35Å
91S87Confident93.5Very high56 Ų5674.2 Ų74.239%0.39236%0.358SS..Hα-helixtrans-108-0.2-170.966.30000114.8L87 R93L87-S91 WeakPolarHBondContact O-CB 3.33Å; L87-S91 PolarHBondContact O-N 2.87Å; L87-S91 PolarHBondContact O-OG 3.48Å; S91-R93 PolarHBondContact O-N 3.4Å
92L85.8Confident93.5Very high164 Ų16471.8 Ų71.886%0.85935%0.347SS*.  trans5518.9-175.3-58.7172.5000114.4S88S88-L92 WeakPolarHBondContact O-CA 3.22Å; S88-L92 PolarHBondContact O-N 3.11Å; S88-L92 VanDerWaalsContact O-N 3.08Å
93R90.9Very high93.5Very high97 Ų9770.2 Ų70.237%0.36635%0.349SS..  trans-83146.5174.2-65.2176.867.7-160.9-2.2110.1S88 S91 L98 E101S88-R93 WeakPolarHBondContact CA-O 3.44Å; S88-R93 WeakPolarHBondContact CB-O 3.46Å; S88-R93 PolarHBondContact OG-O 3.39Å; S91-R93 PolarHBondContact O-N 3.4Å; R93-L98 HydrophobicContact CB-CD1 4.42Å; R93-L98 HydrophobicContact CB-CG 4.33Å; R93-E101 IonicContact CZ-OE2 3.24Å; R93-E101 VanDerWaalsContact CZ-OE2 3.24Å; R93-E101 IonicContact NH1-OE2 2.79Å; R93-E101 PolarHBondContact NH1-OE2 2.76Å; R93-E101 IonicContact NH2-OE2 2.76Å; R93-E101 PolarHBondContact NH2-OE2 3.41Å
94S93.6Very high93.5Very high57 Ų5773.3 Ų73.340%0.39937%0.37SS..  trans-64.3149.1175.270.20000111D96 T97 L98S94-D96 PolarHBondContact O-N 3.33Å; S94-T97 PolarHBondContact O-N 3.04Å; S94-T97 WeakPolarHBondContact OG-CB 3.17Å; S94-T97 PolarHBondContact OG-N 3.44Å; S94-T97 PolarHBondContact OG-OG1 2.8Å; S94-L98 PolarHBondContact O-N 3.37Å
95V93.5Very high93.5Very high56 Ų5673.3 Ų73.334%0.33937%0.37SS..Hα-helixtrans-60.1-38.5176.3170.10000110.7I84 L98 R99I84-V95 HydrophobicContact CG2-CB 4.48Å; I84-V95 HydrophobicContact CG2-CG1 3.87Å; V95-L98 PolarHBondContact O-N 2.89Å; V95-R99 HydrophobicContact CG1-CG 4.22Å; V95-R99 WeakPolarHBondContact O-CG 3.45Å; V95-R99 PolarHBondContact O-N 3.18Å
96D93.4Very high93.4Very high107 Ų10767.5 Ų67.557%0.57235%0.346SS*.Hα-helixtrans-64.8-44.2-177.6-60.4-39.9000112.1S94 L98 R99 E100S94-D96 PolarHBondContact O-N 3.33Å; D96-L98 VanDerWaalsContact C-N 3.29Å; D96-L98 PolarHBondContact O-N 3Å; D96-R99 WeakPolarHBondContact O-CB 3.37Å; D96-R99 PolarHBondContact O-N 3.11Å; D96-R99 VanDerWaalsContact O-N 3.12Å; D96-E100 WeakPolarHBondContact O-CG 3.2Å; D96-E100 PolarHBondContact O-N 2.95Å
97T94.3Very high93.4Very high60 Ų6068.6 Ų68.637%0.36835%0.35SS..Hα-helixtrans-62.3-37.7175.8-57.70000111.8S94 E101S94-T97 PolarHBondContact O-N 3.04Å; S94-T97 WeakPolarHBondContact OG-CB 3.17Å; S94-T97 PolarHBondContact OG-N 3.44Å; S94-T97 PolarHBondContact OG-OG1 2.8Å; T97-E101 WeakPolarHBondContact O-CB 3.34Å; T97-E101 PolarHBondContact O-N 2.99Å
98L94.6Very high93.3Very high3 Ų370 Ų702%0.01636%0.356CS..Hα-helixtrans-70.9-33.1175.8-69.7171.9000112.4I84 L87 R93 S94 V95 D96 A102 L217I84-L98 HydrophobicContact CG1-CB 4.42Å; I84-L98 HydrophobicContact CG2-CB 3.85Å; I84-L98 HydrophobicContact CG2-CD1 4.3Å; L87-L98 HydrophobicContact CB-CD1 3.98Å; R93-L98 HydrophobicContact CB-CD1 4.42Å; R93-L98 HydrophobicContact CB-CG 4.33Å; S94-L98 PolarHBondContact O-N 3.37Å; V95-L98 PolarHBondContact O-N 2.89Å; D96-L98 VanDerWaalsContact C-N 3.29Å; D96-L98 PolarHBondContact O-N 3Å; L98-A102 WeakPolarHBondContact O-CB 3.28Å; L98-A102 PolarHBondContact O-N 3.02Å; L98-L217 HydrophobicContact CD2-CD2 4.15Å
99R95.3Very high93.1Very high71 Ų7168.8 Ų68.827%0.26835%0.348SS..Hα-helixtrans-66.9-43.3172.7-73.2178.475.296.27.3111.4F75 H81 I84 V95 D96 E101 A102 S103F75-R99 HydrophobicContact CZ-CB 4.33Å; H81-R99 PolarHBondContact CD2-NH1 3.39Å; H81-R99 VanDerWaalsContact CD2-NH1 3.32Å; H81-R99 PolarHBondContact NE2-NH1 2.96Å; I84-R99 HydrophobicContact CD1-CG 3.93Å; I84-R99 HydrophobicContact CG2-CG 4.46Å; V95-R99 HydrophobicContact CG1-CG 4.22Å; V95-R99 WeakPolarHBondContact O-CG 3.45Å; V95-R99 PolarHBondContact O-N 3.18Å; D96-R99 WeakPolarHBondContact O-CB 3.37Å; D96-R99 PolarHBondContact O-N 3.11Å; D96-R99 VanDerWaalsContact O-N 3.12Å; R99-E101 VanDerWaalsContact C-N 3.34Å; R99-A102 PolarHBondContact O-N 3.01Å; R99-S103 PolarHBondContact O-N 3.25Å
100E95.3Very high93.1Very high134 Ų13459 Ų5963%0.62631%0.311SS*.Hα-helixtrans-60.7-44.3174.2-72.7174.7177.700111.3D96 A102 S103 S104D96-E100 WeakPolarHBondContact O-CG 3.2Å; D96-E100 PolarHBondContact O-N 2.95Å; E100-A102 PolarHBondContact O-N 2.94Å; E100-S103 PolarHBondContact O-N 2.99Å; E100-S104 WeakPolarHBondContact O-CB 3.43Å; E100-S104 PolarHBondContact O-N 3.27Å
101E94.7Very high93.2Very high51 Ų5154.1 Ų54.124%0.23829%0.288CS..Hα-helixtrans-61-45.1174.9-171179.416200111.5R93 T97 R99 S103 S104 I105 L217R93-E101 IonicContact CZ-OE2 3.24Å; R93-E101 VanDerWaalsContact CZ-OE2 3.24Å; R93-E101 IonicContact NH1-OE2 2.79Å; R93-E101 PolarHBondContact NH1-OE2 2.76Å; R93-E101 IonicContact NH2-OE2 2.76Å; R93-E101 PolarHBondContact NH2-OE2 3.41Å; T97-E101 WeakPolarHBondContact O-CB 3.34Å; T97-E101 PolarHBondContact O-N 2.99Å; R99-E101 VanDerWaalsContact C-N 3.34Å; E101-S103 VanDerWaalsContact C-N 3.33Å; E101-S103 PolarHBondContact O-N 3.31Å; E101-S104 PolarHBondContact O-N 3.32Å; E101-I105 HydrophobicContact CG-CD1 4.03Å; E101-I105 VanDerWaalsContact O-CG1 3.27Å; E101-I105 WeakPolarHBondContact O-CG1 3.32Å; E101-I105 PolarHBondContact O-N 2.99Å; E101-L217 HydrophobicContact CB-CD2 3.94Å; E101-L217 HydrophobicContact CG-CD2 3.87Å
102A95.8Very high93.5Very high2 Ų254.1 Ų54.12%0.01728%0.281CS..Hα-helixtrans-60.7-41.3176.100000112.3I84 L98 R99 E100 I105 L106 L217 V221I84-A102 HydrophobicContact CD1-CB 4.22Å; L98-A102 WeakPolarHBondContact O-CB 3.28Å; L98-A102 PolarHBondContact O-N 3.02Å; R99-A102 PolarHBondContact O-N 3.01Å; E100-A102 PolarHBondContact O-N 2.94Å; A102-I105 PolarHBondContact O-N 3.48Å; A102-L106 WeakPolarHBondContact O-CB 3.32Å; A102-L106 PolarHBondContact O-N 3.41Å; A102-L217 HydrophobicContact CB-CD1 4.25Å; A102-L217 HydrophobicContact CB-CD2 4.48Å; A102-V221 HydrophobicContact CB-CG2 3.9Å
103S95.9Very high93.8Very high51 Ų5148.5 Ų48.536%0.35725%0.252SS..Hα-helixtrans-64.2-42.5175.5-171.70000111.7R99 E100 E101 L106 E107R99-S103 PolarHBondContact O-N 3.25Å; E100-S103 PolarHBondContact O-N 2.99Å; E101-S103 VanDerWaalsContact C-N 3.33Å; E101-S103 PolarHBondContact O-N 3.31Å; S103-L106 PolarHBondContact O-N 3.39Å; S103-E107 PolarHBondContact O-N 3.22Å
104S95.1Very high93.9Very high74 Ų7450.9 Ų50.952%0.51726%0.261SS..Hα-helixtrans-62.8-45.7176.9-176.50000111.7E100 E101 L106 E107 E108E100-S104 WeakPolarHBondContact O-CB 3.43Å; E100-S104 PolarHBondContact O-N 3.27Å; E101-S104 PolarHBondContact O-N 3.32Å; S104-L106 VanDerWaalsContact C-N 3.3Å; S104-L106 PolarHBondContact O-N 3.01Å; S104-E107 PolarHBondContact O-N 3.05Å; S104-E108 WeakPolarHBondContact O-CB 3.41Å; S104-E108 PolarHBondContact O-N 3.33Å
105I94.4Very high93.8Very high4 Ų451.6 Ų51.62%0.02126%0.263CS..Hα-helixtrans-57.2-46.7174.7-69.3162.9000110.2E101 A102 E107 E108 M109 L217 Y218 V221E101-I105 HydrophobicContact CG-CD1 4.03Å; E101-I105 VanDerWaalsContact O-CG1 3.27Å; E101-I105 WeakPolarHBondContact O-CG1 3.32Å; E101-I105 PolarHBondContact O-N 2.99Å; A102-I105 PolarHBondContact O-N 3.48Å; I105-E107 PolarHBondContact O-N 3.25Å; I105-E108 WeakPolarHBondContact O-CB 3.42Å; I105-E108 PolarHBondContact O-N 2.86Å; I105-M109 HydrophobicContact CG2-SD 4.35Å; I105-M109 VanDerWaalsContact O-CG 3.24Å; I105-M109 WeakPolarHBondContact O-CG 3.45Å; I105-M109 PolarHBondContact O-N 2.82Å; I105-L217 HydrophobicContact CD1-CD2 4.32Å; I105-L217 HydrophobicContact CD1-CG 4.23Å; I105-Y218 HydrophobicContact CD1-CD2 4.39Å; I105-Y218 HydrophobicContact CG1-CD2 4.23Å; I105-Y218 HydrophobicContact CG2-CD2 3.56Å; I105-Y218 HydrophobicContact CG2-CE2 3.92Å; I105-Y218 HydrophobicContact CG2-CG 4.44Å; I105-V221 HydrophobicContact CB-CG1 4.38Å; I105-V221 HydrophobicContact CG2-CB 4.04Å; I105-V221 HydrophobicContact CG2-CG1 3.78Å
106L94.4Very high93.8Very high6 Ų651.6 Ų51.63%0.03127%0.274CS..Hα-helixtrans-64.5-40.2-178.7-171.458.3000112.3K71 V74 F75 A102 S103 S104 S110 V221 Y225K71-L106 HydrophobicContact CB-CD2 3.77Å; K71-L106 HydrophobicContact CB-CG 4.2Å; K71-L106 HydrophobicContact CD-CG 4.39Å; K71-L106 HydrophobicContact CG-CD1 4.48Å; K71-L106 HydrophobicContact CG-CD2 4.21Å; K71-L106 HydrophobicContact CG-CG 4.06Å; K71-L106 WeakPolarHBondContact O-CD2 3.32Å; V74-L106 HydrophobicContact CB-CD1 4.44Å; V74-L106 HydrophobicContact CB-CD2 4.37Å; V74-L106 HydrophobicContact CG1-CD1 4.08Å; V74-L106 HydrophobicContact CG1-CD2 4.36Å; F75-L106 HydrophobicContact CB-CD2 4.21Å; A102-L106 WeakPolarHBondContact O-CB 3.32Å; A102-L106 PolarHBondContact O-N 3.41Å; S103-L106 PolarHBondContact O-N 3.39Å; S104-L106 VanDerWaalsContact C-N 3.3Å; S104-L106 PolarHBondContact O-N 3.01Å; L106-S110 WeakPolarHBondContact O-CB 3.49Å; L106-S110 PolarHBondContact O-N 2.93Å; L106-S110 PolarHBondContact O-OG 3.26Å; L106-V221 HydrophobicContact CB-CG1 4.16Å; L106-V221 HydrophobicContact CD1-CG1 4.28Å; L106-Y225 HydrophobicContact CD1-CD2 3.73Å; L106-Y225 HydrophobicContact CD1-CE2 4.32Å
107E92.6Very high93.9Very high93 Ų9346.7 Ų46.744%0.43525%0.248SC..Hα-helixtrans-66.3-38.1174-76.2-56.6134.900113K71 S103 S104 I105K71-E107 WeakPolarHBondContact CD-OE1 3.3Å; K71-E107 IonicContact NZ-OE1 2.76Å; K71-E107 PolarHBondContact NZ-OE1 2.73Å; K71-E107 IonicContact NZ-OE2 3.17Å; K71-E107 PolarHBondContact NZ-OE2 3.46Å; S103-E107 PolarHBondContact O-N 3.22Å; S104-E107 PolarHBondContact O-N 3.05Å; I105-E107 PolarHBondContact O-N 3.25Å
108E91.4Very high94Very high50 Ų5044.4 Ų44.423%0.23423%0.233CC..Hα-helixtrans-62.7-48.2175.4-177.4-170146.400111.3S104 I105 R201 R209S104-E108 WeakPolarHBondContact O-CB 3.41Å; S104-E108 PolarHBondContact O-N 3.33Å; I105-E108 WeakPolarHBondContact O-CB 3.42Å; I105-E108 PolarHBondContact O-N 2.86Å; E108-R201 PolarHBondContact O-NH2 2.79Å; E108-R209 IonicContact OE1-CZ 3.73Å; E108-R209 IonicContact OE1-NE 2.76Å; E108-R209 PolarHBondContact OE1-NE 3.17Å; E108-R209 IonicContact OE1-NH2 3.76Å; E108-R209 PolarHBondContact OE1-NH2 3.33Å; E108-R209 IonicContact OE2-CZ 3.8Å; E108-R209 IonicContact OE2-NH2 3.84Å; E108-R209 PolarHBondContact OE2-NH2 2.94Å
109M91.6Very high94.1Very high0 Ų047.5 Ų47.50%025%0.245CC..Hα-helixtrans-86.6-34.2-169.471.1173.3-78.100114.5I105 F206 F207 V221 F222 Y225I105-M109 HydrophobicContact CG2-SD 4.35Å; I105-M109 VanDerWaalsContact O-CG 3.24Å; I105-M109 WeakPolarHBondContact O-CG 3.45Å; I105-M109 PolarHBondContact O-N 2.82Å; M109-F206 CarbonylContact O-C 3.52Å; M109-F206 WeakPolarHBondContact O-CA 3.34Å; M109-F206 VanDerWaalsContact O-CB 3.24Å; M109-F206 WeakPolarHBondContact O-CB 3.47Å; M109-F207 VanDerWaalsContact CB-O 3.31Å; M109-F207 WeakPolarHBondContact CB-O 3.15Å; M109-F207 PolarHBondContact O-N 3.35Å; M109-V221 HydrophobicContact SD-CG1 4.18Å; M109-F222 HydrophobicContact CE-CB 4.2Å; M109-F222 HydrophobicContact CE-CD2 3.25Å; M109-F222 HydrophobicContact CE-CE2 3.82Å; M109-F222 HydrophobicContact CE-CG 4.01Å; M109-F222 HydrophobicContact SD-CB 4.15Å; M109-F222 HydrophobicContact SD-CD2 3.91Å; M109-F222 HydrophobicContact SD-CG 4.49Å; M109-Y225 HydrophobicContact CE-CD1 3.42Å; M109-Y225 VanDerWaalsContact CE-CD1 3.42Å; M109-Y225 HydrophobicContact CE-CD2 4.42Å; M109-Y225 HydrophobicContact CE-CE1 4.15Å; M109-Y225 HydrophobicContact CE-CG 3.55Å
110S93.6Very high94.1Very high0 Ų049 Ų490%025%0.253CS..  trans-69.1145.6-16552.50000114K71 L106 R201 Y225K71-S110 WeakPolarHBondContact CE-OG 3.41Å; K71-S110 PolarHBondContact NZ-OG 3.01Å; L106-S110 WeakPolarHBondContact O-CB 3.49Å; L106-S110 PolarHBondContact O-N 2.93Å; L106-S110 PolarHBondContact O-OG 3.26Å; S110-R201 VanDerWaalsContact O-CD 3.28Å; S110-R201 WeakPolarHBondContact O-CD 3.45Å; S110-R201 VanDerWaalsContact O-CG 3.32Å; S110-R201 WeakPolarHBondContact O-CG 2.87Å; S110-R201 PolarHBondContact O-NE 3.4Å; S110-Y225 WeakPolarHBondContact CA-OH 3.17Å
111H93.9Very high94.2Very high1 Ų144.1 Ų44.11%0.00523%0.23CC..  trans-71.2159.7171.479.4-95.4000111.3L113 A205 F206 Y225 Y234H111-L113 PolarHBondContact CD2-N 3.05Å; H111-A205 WeakPolarHBondContact CA-O 3.46Å; H111-A205 VanDerWaalsContact CB-O 3.31Å; H111-A205 WeakPolarHBondContact CB-O 3.48Å; H111-F206 HydrophobicContact CB-CB 4.31Å; H111-Y225 PolarHBondContact CE1-OH 3.06Å; H111-Y225 PolarHBondContact N-OH 2.87Å; H111-Y225 AromaticContact ND1-CZ 3.78Å; H111-Y225 PolarHBondContact ND1-OH 3.35Å; H111-Y234 PolarHBondContact CE1-OH 3.42Å; H111-Y234 PolarHBondContact NE2-OH 3.18Å
112K93.3Very high94.2Very high56 Ų5641.9 Ų41.924%0.24322%0.221CC..  trans-130.450.3-178.3-70.7176.1-179.7167.50111.4R114 E198 R201 M202K112-R114 WeakPolarHBondContact O-CG 3.43Å; K112-R114 PolarHBondContact O-N 3.07Å; K112-E198 WeakPolarHBondContact CD-OE1 3.24Å; K112-E198 IonicContact NZ-OE1 2.71Å; K112-E198 PolarHBondContact NZ-OE1 3.22Å; K112-E198 IonicContact NZ-OE2 3.33Å; K112-E198 PolarHBondContact NZ-OE2 3.05Å; K112-R201 HydrophobicContact CB-CG 4.09Å; K112-R201 HydrophobicContact CD-CG 4.18Å; K112-R201 HydrophobicContact CG-CG 3.98Å; K112-R201 PolarHBondContact N-O 2.98Å; K112-M202 HydrophobicContact CB-CG 4.4Å; K112-M202 VanDerWaalsContact O-CA 3.28Å; K112-M202 WeakPolarHBondContact O-CA 3.42Å
113L91.4Very high94.3Very high45 Ų4544.8 Ų44.824%0.23623%0.233CC..  trans-53.4123.3-165.8-165.567.4000110.8P67 H111 I118 M202 Y234P67-L113 HydrophobicContact CG-CB 4.47Å; H111-L113 PolarHBondContact CD2-N 3.05Å; L113-I118 HydrophobicContact CD1-CD1 3.81Å; L113-I118 HydrophobicContact CD1-CG1 4.28Å; L113-I118 HydrophobicContact CG-CD1 4.2Å; L113-M202 CarbonylContact C-O 3.59Å; L113-M202 WeakPolarHBondContact CA-O 3.26Å; L113-Y234 HydrophobicContact CD2-CE2 4.24Å
114R92.9Very high94.2Very high148 Ų14844.5 Ų44.556%0.55823%0.229SC*.  trans-137122.5-179.7-77.6174.5-178.2-158.14.5108.7K112 G116 A117 I118 M202K112-R114 WeakPolarHBondContact O-CG 3.43Å; K112-R114 PolarHBondContact O-N 3.07Å; R114-G116 PolarHBondContact O-N 2.86Å; R114-G116 VanDerWaalsContact O-N 3.15Å; R114-A117 HydrophobicContact CB-CB 4.47Å; R114-A117 PolarHBondContact O-N 3.21Å; R114-I118 PolarHBondContact O-N 3.3Å; R114-M202 HydrophobicContact CB-CE 4.39Å; R114-M202 VanDerWaalsContact CD-CE 3.41Å; R114-M202 PolarHBondContact N-O 3.32Å
115V91.9Very high94.2Very high72 Ų7241.5 Ų41.544%0.43621%0.207SC..Hα-helixtrans-54.5-37.4178.1-179.60000111.6A117 I118 R119V115-A117 VanDerWaalsContact C-N 3.32Å; V115-A117 PolarHBondContact O-N 2.96Å; V115-I118 WeakPolarHBondContact O-CB 3.44Å; V115-I118 PolarHBondContact O-N 3.27Å; V115-R119 HydrophobicContact CG1-CG 4.14Å; V115-R119 VanDerWaalsContact O-CG 3.3Å; V115-R119 WeakPolarHBondContact O-CG 3.49Å; V115-R119 PolarHBondContact O-N 3.13Å
116G95Very high94.3Very high55 Ų5541.3 Ų41.357%0.56721%0.206SC*.Hα-helixtrans-58.6-38.2176.200000114.2R114 F120R114-G116 PolarHBondContact O-N 2.86Å; R114-G116 VanDerWaalsContact O-N 3.15Å; G116-F120 PolarHBondContact O-N 3.45Å
117A95.4Very high94.3Very high4 Ų446.1 Ų46.13%0.03323%0.227CC..Hα-helixtrans-73-39.9176.200000111.6R114 V115 R119 F120 F121 M202R114-A117 HydrophobicContact CB-CB 4.47Å; R114-A117 PolarHBondContact O-N 3.21Å; V115-A117 VanDerWaalsContact C-N 3.32Å; V115-A117 PolarHBondContact O-N 2.96Å; A117-R119 VanDerWaalsContact C-N 3.32Å; A117-R119 PolarHBondContact O-N 3.27Å; A117-F120 WeakPolarHBondContact O-CB 3.43Å; A117-F120 PolarHBondContact O-N 2.97Å; A117-F121 WeakPolarHBondContact O-CD2 3.45Å; A117-F121 PolarHBondContact O-N 2.88Å; A117-M202 HydrophobicContact CB-CB 3.53Å; A117-M202 HydrophobicContact CB-CE 4.14Å
118I95.3Very high94.3Very high12 Ų1244.4 Ų44.46%0.06222%0.22CC..Hα-helixtrans-56.4-48.2173-60.4173.2000110.3L113 R114 V115 F120 F121 A122 Y175 V181L113-I118 HydrophobicContact CD1-CD1 3.81Å; L113-I118 HydrophobicContact CD1-CG1 4.28Å; L113-I118 HydrophobicContact CG-CD1 4.2Å; R114-I118 PolarHBondContact O-N 3.3Å; V115-I118 WeakPolarHBondContact O-CB 3.44Å; V115-I118 PolarHBondContact O-N 3.27Å; I118-F120 VanDerWaalsContact C-N 3.34Å; I118-F120 PolarHBondContact O-N 3.45Å; I118-F121 PolarHBondContact O-N 3.16Å; I118-A122 WeakPolarHBondContact O-CB 3.3Å; I118-A122 PolarHBondContact O-N 3.06Å; I118-Y175 HydrophobicContact CG2-CD2 3.66Å; I118-Y175 HydrophobicContact CG2-CE2 3.93Å; I118-Y175 HydrophobicContact CG2-CG 4.44Å; I118-V181 HydrophobicContact CD1-CB 4.35Å; I118-V181 HydrophobicContact CG2-CG2 3.93Å
119R96.4Very high94.4Very high69 Ų6942.1 Ų42.126%0.2621%0.209SC..Hα-helixtrans-62.7-39.5177.6-68.1-172.3163.8159-5.4112.4A50 K52 V115 A117 A122 F123A50-R119 WeakPolarHBondContact CB-O 3.32Å; A50-R119 WeakPolarHBondContact O-CB 3.41Å; A50-R119 WeakPolarHBondContact O-CD 3.32Å; A50-R119 WeakPolarHBondContact O-CG 3.44Å; A50-R119 PolarHBondContact O-NE 2.67Å; K52-R119 PolarHBondContact O-NH2 3.31Å; V115-R119 HydrophobicContact CG1-CG 4.14Å; V115-R119 VanDerWaalsContact O-CG 3.3Å; V115-R119 WeakPolarHBondContact O-CG 3.49Å; V115-R119 PolarHBondContact O-N 3.13Å; A117-R119 VanDerWaalsContact C-N 3.32Å; A117-R119 PolarHBondContact O-N 3.27Å; R119-A122 PolarHBondContact O-N 3.29Å; R119-F123 PolarHBondContact O-N 2.94Å
120F96.4Very high94.5Very high101 Ų10144.5 Ų44.544%0.44322%0.22SC..Hα-helixtrans-59.6-47.1173.5173-96.8000111.5G116 A117 I118 F123 V124 L199G116-F120 PolarHBondContact O-N 3.45Å; A117-F120 WeakPolarHBondContact O-CB 3.43Å; A117-F120 PolarHBondContact O-N 2.97Å; I118-F120 VanDerWaalsContact C-N 3.34Å; I118-F120 PolarHBondContact O-N 3.45Å; F120-F123 PolarHBondContact O-N 3.33Å; F120-V124 HydrophobicContact CD1-CG2 4.47Å; F120-V124 HydrophobicContact CD2-CG2 4.33Å; F120-V124 HydrophobicContact CE1-CG2 4.05Å; F120-V124 HydrophobicContact CE2-CG2 3.9Å; F120-V124 HydrophobicContact CZ-CG2 3.75Å; F120-V124 WeakPolarHBondContact O-CG2 3.36Å; F120-V124 PolarHBondContact O-N 3.25Å; F120-L199 HydrophobicContact CE1-CD1 4.22Å
121F95.8Very high94.5Very high32 Ų3250.3 Ų50.314%0.1425%0.247CC..Hα-helixtrans-64.4-42174.9-84.6-72.9000112.2A117 I118 F123 V124 L125 L168 L199 L200 S203A117-F121 WeakPolarHBondContact O-CD2 3.45Å; A117-F121 PolarHBondContact O-N 2.88Å; I118-F121 PolarHBondContact O-N 3.16Å; F121-F123 VanDerWaalsContact C-N 3.27Å; F121-F123 PolarHBondContact O-N 2.85Å; F121-V124 PolarHBondContact O-N 3.34Å; F121-L125 HydrophobicContact CB-CD1 4.22Å; F121-L125 HydrophobicContact CD1-CD1 4.36Å; F121-L125 HydrophobicContact CD1-CG 4.43Å; F121-L125 WeakPolarHBondContact O-CB 3.4Å; F121-L125 WeakPolarHBondContact O-CG 3.44Å; F121-L125 PolarHBondContact O-N 3.39Å; F121-L168 HydrophobicContact CD1-CD2 4.29Å; F121-L168 HydrophobicContact CE1-CD2 4.21Å; F121-L199 HydrophobicContact CE2-CB 4.03Å; F121-L199 HydrophobicContact CZ-CB 4.13Å; F121-L200 HydrophobicContact CZ-CD2 3.99Å; F121-S203 WeakPolarHBondContact CD2-OG 3.43Å; F121-S203 WeakPolarHBondContact CE2-OG 3.37Å
122A96.3Very high94.4Very high5 Ų550.5 Ų50.54%0.04125%0.248CC..Hα-helixtrans-56-43.5175.800000111.7F49 A50 I118 R119 S126 Y175F49-A122 HydrophobicContact CD1-CB 4.44Å; F49-A122 HydrophobicContact CE1-CB 3.95Å; A50-A122 HydrophobicContact CB-CB 4.3Å; I118-A122 WeakPolarHBondContact O-CB 3.3Å; I118-A122 PolarHBondContact O-N 3.06Å; R119-A122 PolarHBondContact O-N 3.29Å; A122-S126 WeakPolarHBondContact O-CB 3.22Å; A122-S126 PolarHBondContact O-N 2.78Å; A122-S126 VanDerWaalsContact O-N 3.07Å; A122-Y175 HydrophobicContact CB-CD1 3.54Å; A122-Y175 HydrophobicContact CB-CE1 3.43Å; A122-Y175 VanDerWaalsContact CB-CE1 3.43Å; A122-Y175 HydrophobicContact CB-CG 4.32Å
123F96.8Very high94.5Very high63 Ų6348 Ų4828%0.27624%0.237SC..Hα-helixtrans-64-50.7175.6177.4-102.1000112.6D46 L47 A50 R119 F120 F121 K127D46-F123 HydrophobicContact CB-CD2 3.73Å; D46-F123 HydrophobicContact CB-CE2 3.83Å; L47-F123 HydrophobicContact CB-CD2 4.43Å; L47-F123 HydrophobicContact CB-CE2 4.21Å; A50-F123 HydrophobicContact CB-CB 3.66Å; R119-F123 PolarHBondContact O-N 2.94Å; F120-F123 PolarHBondContact O-N 3.33Å; F121-F123 VanDerWaalsContact C-N 3.27Å; F121-F123 PolarHBondContact O-N 2.85Å; F123-K127 HydrophobicContact CE1-CD 4.23Å; F123-K127 HydrophobicContact CZ-CD 4.12Å; F123-K127 PolarHBondContact O-N 3.4Å
124V95.1Very high94.6Very high44 Ų4448.3 Ų48.327%0.26724%0.243SC..Hα-helixtrans-68-46.1-175.7171.80000111.3F120 F121 K127 I128F120-V124 HydrophobicContact CD1-CG2 4.47Å; F120-V124 HydrophobicContact CD2-CG2 4.33Å; F120-V124 HydrophobicContact CE1-CG2 4.05Å; F120-V124 HydrophobicContact CE2-CG2 3.9Å; F120-V124 HydrophobicContact CZ-CG2 3.75Å; F120-V124 WeakPolarHBondContact O-CG2 3.36Å; F120-V124 PolarHBondContact O-N 3.25Å; F121-V124 PolarHBondContact O-N 3.34Å; V124-K127 PolarHBondContact O-N 3.43Å; V124-I128 HydrophobicContact CG1-CD1 3.67Å; V124-I128 HydrophobicContact CG1-CG1 4.39Å; V124-I128 WeakPolarHBondContact O-CG1 3.48Å; V124-I128 PolarHBondContact O-N 2.85Å
125L95.1Very high94.7Very high12 Ų1246.2 Ų46.26%0.06324%0.238CC..Hα-helixtrans-66.6-38.7-179.8-65.5175.4000111.6F121 K127 I128 F129 L168 F172F121-L125 HydrophobicContact CB-CD1 4.22Å; F121-L125 HydrophobicContact CD1-CD1 4.36Å; F121-L125 HydrophobicContact CD1-CG 4.43Å; F121-L125 WeakPolarHBondContact O-CB 3.4Å; F121-L125 WeakPolarHBondContact O-CG 3.44Å; F121-L125 PolarHBondContact O-N 3.39Å; L125-K127 VanDerWaalsContact C-N 3.26Å; L125-K127 PolarHBondContact O-N 3.33Å; L125-I128 PolarHBondContact O-N 3.1Å; L125-F129 HydrophobicContact CB-CD2 4.28Å; L125-F129 HydrophobicContact CB-CE2 3.98Å; L125-F129 HydrophobicContact CB-CZ 4.25Å; L125-F129 HydrophobicContact CD2-CE1 4.22Å; L125-F129 HydrophobicContact CD2-CE2 4.49Å; L125-F129 HydrophobicContact CD2-CZ 3.92Å; L125-F129 HydrophobicContact CG-CZ 4.47Å; L125-F129 WeakPolarHBondContact O-CB 3.45Å; L125-F129 VanDerWaalsContact O-CG 3.27Å; L125-F129 WeakPolarHBondContact O-CG 3.38Å; L125-F129 PolarHBondContact O-N 3.21Å; L125-L168 HydrophobicContact CD1-CB 4.04Å; L125-L168 HydrophobicContact CD2-CB 4.37Å; L125-L168 HydrophobicContact CD2-CD1 4.31Å; L125-F172 HydrophobicContact CB-CD2 3.83Å; L125-F172 HydrophobicContact CB-CE2 4.32Å; L125-F172 HydrophobicContact CB-CG 4.49Å; L125-F172 HydrophobicContact CD1-CB 4.2Å
126S95.4Very high94.9Very high0 Ų042.8 Ų42.80%022%0.217CC..Hα-helixtrans-55.2-43.9173.6-175.70000111.5D46 A122 K130D46-S126 WeakPolarHBondContact OD1-CB 3.26Å; D46-S126 PolarHBondContact OD1-OG 3.44Å; A122-S126 WeakPolarHBondContact O-CB 3.22Å; A122-S126 PolarHBondContact O-N 2.78Å; A122-S126 VanDerWaalsContact O-N 3.07Å; S126-K130 WeakPolarHBondContact O-CB 3.4Å; S126-K130 WeakPolarHBondContact O-CE 3.43Å; S126-K130 VanDerWaalsContact O-CG 3.29Å; S126-K130 WeakPolarHBondContact O-CG 3.48Å; S126-K130 PolarHBondContact O-N 3.39Å; S126-K130 VanDerWaalsContact O-N 3.16Å
127K93.8Very high95Very high106 Ų10640.7 Ų40.746%0.46119%0.194SC..Hα-helixtrans-67-47.1176.8-70.9-170.6172.5-150.60112.9D46 F123 V124 L125 Q131D46-K127 HydrophobicContact CB-CG 4.3Å; D46-K127 WeakPolarHBondContact OD2-CE 3.36Å; D46-K127 WeakPolarHBondContact OD2-CG 3.36Å; F123-K127 HydrophobicContact CE1-CD 4.23Å; F123-K127 HydrophobicContact CZ-CD 4.12Å; F123-K127 PolarHBondContact O-N 3.4Å; V124-K127 PolarHBondContact O-N 3.43Å; L125-K127 VanDerWaalsContact C-N 3.26Å; L125-K127 PolarHBondContact O-N 3.33Å; K127-Q131 VanDerWaalsContact O-CB 3.31Å; K127-Q131 WeakPolarHBondContact O-CB 3.33Å; K127-Q131 PolarHBondContact O-N 3.35Å
128I92.5Very high95.1Very high57 Ų5740.5 Ų40.529%0.29219%0.192SC..Hα-helixtrans-62.7-49.9-178.7-68.9172.3000109.9V124 L125 K130 Q131 I132 L316V124-I128 HydrophobicContact CG1-CD1 3.67Å; V124-I128 HydrophobicContact CG1-CG1 4.39Å; V124-I128 WeakPolarHBondContact O-CG1 3.48Å; V124-I128 PolarHBondContact O-N 2.85Å; L125-I128 PolarHBondContact O-N 3.1Å; I128-K130 PolarHBondContact O-N 3.3Å; I128-Q131 WeakPolarHBondContact O-CB 3.38Å; I128-Q131 PolarHBondContact O-N 2.85Å; I128-I132 HydrophobicContact CG2-CD1 3.79Å; I128-I132 HydrophobicContact CG2-CG1 4.38Å; I128-I132 WeakPolarHBondContact O-CG1 3.34Å; I128-I132 PolarHBondContact O-N 2.8Å; I128-L316 HydrophobicContact CG1-CD2 4.34Å; I128-L316 HydrophobicContact CG2-CD2 4.11Å
129F94.9Very high95.1Very high2 Ų240 Ų401%0.00919%0.189CC..Hα-helixtrans-66-40.4-175.7-64.5-18000112.5L38 L125 Q131 I132 F133 I165 M169 F172L38-F129 HydrophobicContact CD1-CB 4.17Å; L38-F129 HydrophobicContact CD2-CB 4.01Å; L125-F129 HydrophobicContact CB-CD2 4.28Å; L125-F129 HydrophobicContact CB-CE2 3.98Å; L125-F129 HydrophobicContact CB-CZ 4.25Å; L125-F129 HydrophobicContact CD2-CE1 4.22Å; L125-F129 HydrophobicContact CD2-CE2 4.49Å; L125-F129 HydrophobicContact CD2-CZ 3.92Å; L125-F129 HydrophobicContact CG-CZ 4.47Å; L125-F129 WeakPolarHBondContact O-CB 3.45Å; L125-F129 VanDerWaalsContact O-CG 3.27Å; L125-F129 WeakPolarHBondContact O-CG 3.38Å; L125-F129 PolarHBondContact O-N 3.21Å; F129-Q131 PolarHBondContact O-N 2.85Å; F129-I132 PolarHBondContact O-N 3.25Å; F129-F133 HydrophobicContact CB-CD2 4.14Å; F129-F133 AromaticContact CD1-CD2 3.91Å; F129-F133 HydrophobicContact CD1-CD2 3.91Å; F129-F133 AromaticContact CD1-CE2 3.73Å; F129-F133 HydrophobicContact CD1-CE2 3.73Å; F129-F133 HydrophobicContact CE1-CE2 4.16Å; F129-F133 HydrophobicContact CG-CD2 4.25Å; F129-F133 HydrophobicContact CG-CE2 4.48Å; F129-F133 WeakPolarHBondContact O-CA 3.44Å; F129-F133 WeakPolarHBondContact O-CB 3.41Å; F129-F133 PolarHBondContact O-N 2.78Å; F129-I165 HydrophobicContact CE1-CD1 4.17Å; F129-M169 HydrophobicContact CD1-CE 4.26Å; F129-M169 HydrophobicContact CD2-CE 3.89Å; F129-M169 HydrophobicContact CD2-SD 4.45Å; F129-M169 HydrophobicContact CE1-CE 3.87Å; F129-M169 HydrophobicContact CE2-CE 3.44Å; F129-M169 VanDerWaalsContact CE2-CE 3.44Å; F129-M169 HydrophobicContact CE2-SD 3.92Å; F129-M169 HydrophobicContact CG-CE 4.28Å; F129-M169 HydrophobicContact CZ-CE 3.44Å; F129-M169 VanDerWaalsContact CZ-CE 3.44Å; F129-M169 HydrophobicContact CZ-SD 4.36Å; F129-F172 AromaticContact CD2-CD1 3.75Å; F129-F172 HydrophobicContact CD2-CD1 3.75Å; F129-F172 HydrophobicContact CD2-CD2 4.36Å; F129-F172 AromaticContact CD2-CE1 3.87Å; F129-F172 HydrophobicContact CD2-CE1 3.87Å; F129-F172 HydrophobicContact CD2-CE2 4.46Å; F129-F172 HydrophobicContact CD2-CG 4.02Å; F129-F172 HydrophobicContact CD2-CZ 4.23Å; F129-F172 HydrophobicContact CE2-CB 3.93Å; F129-F172 AromaticContact CE2-CD1 3.78Å; F129-F172 HydrophobicContact CE2-CD1 3.78Å; F129-F172 HydrophobicContact CE2-CD2 4.3Å; F129-F172 HydrophobicContact CE2-CE1 4.37Å; F129-F172 AromaticContact CE2-CG 3.74Å; F129-F172 HydrophobicContact CE2-CG 3.74Å
130K93.7Very high95Very high51 Ų5140.3 Ų40.322%0.22219%0.194CC..Hα-helixtrans-62-28.1172.2-74.4-171.4-63.9-176.60113.7L38 R41 R42 D46 S126 I128L38-K130 HydrophobicContact CD2-CG 4.25Å; R41-K130 HydrophobicContact CB-CD 4.12Å; R41-K130 WeakPolarHBondContact O-CD 3.25Å; R41-K130 PolarHBondContact O-NZ 3.16Å; R42-K130 HydrophobicContact CG-CD 3.89Å; R42-K130 HydrophobicContact CG-CG 4.26Å; D46-K130 VanDerWaalsContact CG-NZ 3.3Å; D46-K130 WeakPolarHBondContact OD1-CE 3.48Å; D46-K130 IonicContact OD1-NZ 3.45Å; D46-K130 PolarHBondContact OD1-NZ 3.37Å; D46-K130 IonicContact OD2-NZ 2.64Å; D46-K130 PolarHBondContact OD2-NZ 3.01Å; S126-K130 WeakPolarHBondContact O-CB 3.4Å; S126-K130 WeakPolarHBondContact O-CE 3.43Å; S126-K130 VanDerWaalsContact O-CG 3.29Å; S126-K130 WeakPolarHBondContact O-CG 3.48Å; S126-K130 PolarHBondContact O-N 3.39Å; S126-K130 VanDerWaalsContact O-N 3.16Å; I128-K130 PolarHBondContact O-N 3.3Å
131Q92.2Very high94.8Very high121 Ų12137.8 Ų37.857%0.56519%0.185SC*.Hα-helixtrans-81.8-40.4-178.2179.163.538.800112.3K127 I128 F129 L316K127-Q131 VanDerWaalsContact O-CB 3.31Å; K127-Q131 WeakPolarHBondContact O-CB 3.33Å; K127-Q131 PolarHBondContact O-N 3.35Å; I128-Q131 WeakPolarHBondContact O-CB 3.38Å; I128-Q131 PolarHBondContact O-N 2.85Å; F129-Q131 PolarHBondContact O-N 2.85Å; Q131-L316 HydrophobicContact CG-CB 4.31Å; Q131-L316 HydrophobicContact CG-CD2 4.45Å; Q131-L316 WeakPolarHBondContact CG-O 3.29Å; Q131-L316 PolarHBondContact NE2-O 3.28Å
132I92.6Very high94.8Very high5 Ų536.3 Ų36.33%0.02618%0.179CC..Hα-helixtrans-101.7-23.3-172.169.7-179.2000114.2I128 F129 L287 L316 F320I128-I132 HydrophobicContact CG2-CD1 3.79Å; I128-I132 HydrophobicContact CG2-CG1 4.38Å; I128-I132 WeakPolarHBondContact O-CG1 3.34Å; I128-I132 PolarHBondContact O-N 2.8Å; F129-I132 PolarHBondContact O-N 3.25Å; I132-L287 HydrophobicContact CD1-CD1 4.5Å; I132-L287 HydrophobicContact CD1-CD2 4.22Å; I132-L316 HydrophobicContact CG2-CD2 3.72Å; I132-F320 HydrophobicContact CB-CD2 3.94Å; I132-F320 HydrophobicContact CB-CE2 4.5Å; I132-F320 PolarHBondContact O-N 3.13Å
133F95Very high94.8Very high4 Ų436.5 Ų36.52%0.01818%0.179CC..  trans-112.6136.9-179.3-59.3-60.3000111.5L38 R42 F129 I165 L287 F320 G321 I323L38-F133 HydrophobicContact CD1-CB 4.28Å; R42-F133 PolarHBondContact NH2-O 2.94Å; F129-F133 HydrophobicContact CB-CD2 4.14Å; F129-F133 AromaticContact CD1-CD2 3.91Å; F129-F133 HydrophobicContact CD1-CD2 3.91Å; F129-F133 AromaticContact CD1-CE2 3.73Å; F129-F133 HydrophobicContact CD1-CE2 3.73Å; F129-F133 HydrophobicContact CE1-CE2 4.16Å; F129-F133 HydrophobicContact CG-CD2 4.25Å; F129-F133 HydrophobicContact CG-CE2 4.48Å; F129-F133 WeakPolarHBondContact O-CA 3.44Å; F129-F133 WeakPolarHBondContact O-CB 3.41Å; F129-F133 PolarHBondContact O-N 2.78Å; F133-I165 HydrophobicContact CE2-CD1 3.73Å; F133-I165 HydrophobicContact CZ-CD1 3.62Å; F133-L287 HydrophobicContact CE1-CD1 4.27Å; F133-L287 HydrophobicContact CZ-CD1 3.8Å; F133-F320 HydrophobicContact CD1-CB 3.71Å; F133-F320 HydrophobicContact CE1-CB 3.45Å; F133-F320 VanDerWaalsContact CE1-CB 3.45Å; F133-F320 HydrophobicContact CE1-CG 4.32Å; F133-G321 CarbonylContact C-O 3.52Å; F133-G321 WeakPolarHBondContact CA-O 3.32Å; F133-I323 HydrophobicContact CD1-CD1 3.9Å; F133-I323 HydrophobicContact CD1-CG1 3.88Å; F133-I323 HydrophobicContact CD2-CD1 3.71Å; F133-I323 HydrophobicContact CD2-CG1 4.41Å; F133-I323 HydrophobicContact CE1-CD1 3.6Å; F133-I323 HydrophobicContact CE1-CG1 3.85Å; F133-I323 HydrophobicContact CE2-CD1 3.38Å; F133-I323 HydrophobicContact CE2-CG1 4.39Å; F133-I323 HydrophobicContact CG-CD1 3.98Å; F133-I323 HydrophobicContact CG-CG1 4.19Å; F133-I323 HydrophobicContact CZ-CD1 3.36Å; F133-I323 HydrophobicContact CZ-CG1 4.15Å
134S93.4Very high94.7Very high51 Ų5138.5 Ų38.536%0.35719%0.189SC..SBendtrans-69.4-39.8171.3-61.60000110.9R42 N319 G321R42-S134 PolarHBondContact NH2-O 2.8Å; S134-N319 PolarHBondContact OG-OD1 3.5Å; S134-N319 VanDerWaalsContact OG-OD1 3.13Å; S134-G321 PolarHBondContact N-O 3.42Å
135K95.2Very high94.7Very high105 Ų10538.7 Ų38.746%0.45719%0.186SC..EExtended strand (participates in β ladder)trans-149.1151.4178.9-58-174.2178.1179.70111.7D36 S322 I323D36-K135 HydrophobicContact CB-CB 4.36Å; D36-K135 WeakPolarHBondContact OD1-CA 3.29Å; D36-K135 WeakPolarHBondContact OD2-CG 3.38Å; K135-S322 WeakPolarHBondContact O-CA 3.27Å; K135-I323 PolarHBondContact O-N 2.82Å
136V96.9Very high94.8Very high0 Ų038.2 Ų38.20%018%0.184CC..EExtended strand (participates in β ladder)trans-122.797.3162.61780000107.2D36 I37 L38 V138 M169 I323D36-V136 WeakPolarHBondContact CA-O 3.09Å; D36-V136 PolarHBondContact OD1-N 3.2Å; I37-V136 HydrophobicContact CD1-CB 4.33Å; I37-V136 HydrophobicContact CD1-CG1 3.81Å; I37-V136 HydrophobicContact CG1-CB 3.88Å; I37-V136 HydrophobicContact CG1-CG1 3.87Å; I37-V136 WeakPolarHBondContact CG1-O 3.38Å; I37-V136 PolarHBondContact N-O 3.33Å; L38-V136 HydrophobicContact CD1-CB 4.27Å; L38-V136 HydrophobicContact CD1-CG2 3.61Å; L38-V136 HydrophobicContact CD2-CG2 4.3Å; L38-V136 HydrophobicContact CG-CB 3.92Å; L38-V136 HydrophobicContact CG-CG2 3.74Å; V136-V138 HydrophobicContact CG1-CG2 4.43Å; V136-M169 HydrophobicContact CG1-SD 3.79Å; V136-M169 HydrophobicContact CG2-CE 4.31Å; V136-I323 HydrophobicContact CG2-CB 4.47Å
137C96.9Very high94.7Very high11 Ų1142.3 Ų42.37%0.07420%0.203CC..EExtended strand (participates in β ladder)trans-86.5126.1-176.4-63.90000109.9F34 E35 I323 H324 V325F34-C137 HydrophobicContact CB-CB 3.97Å; F34-C137 HydrophobicContact CD1-CB 3.75Å; F34-C137 HydrophobicContact CG-CB 4.19Å; E35-C137 CarbonylContact O-C 3.54Å; E35-C137 VanDerWaalsContact O-CA 3.28Å; E35-C137 WeakPolarHBondContact O-CA 3.43Å; C137-I323 WeakPolarHBondContact CB-O 3.46Å; C137-I323 PolarHBondContact N-O 3.46Å; C137-H324 WeakPolarHBondContact CB-CD2 3.42Å; C137-H324 CarbonylContact O-C 3.56Å; C137-H324 WeakPolarHBondContact O-CA 3.33Å; C137-V325 PolarHBondContact O-N 2.93Å
138V97.4Very high94.7Very high0 Ų043.7 Ų43.70%021%0.205CC..EExtended strand (participates in β ladder)trans-126.1137.5176.7-174.20000110F34 E35 I37 V136 E140 I143 V173 Y177 V325 F327F34-V138 WeakPolarHBondContact CA-O 3.21Å; E35-V138 PolarHBondContact N-O 3.38Å; E35-V138 PolarHBondContact O-N 2.91Å; I37-V138 HydrophobicContact CD1-CG2 4.2Å; I37-V138 HydrophobicContact CG2-CB 4.33Å; I37-V138 HydrophobicContact CG2-CG2 3.94Å; V136-V138 HydrophobicContact CG1-CG2 4.43Å; V138-E140 PolarHBondContact O-N 2.91Å; V138-I143 HydrophobicContact CG1-CD1 3.92Å; V138-I143 HydrophobicContact CG1-CG1 3.69Å; V138-V173 HydrophobicContact CG1-CG1 4.07Å; V138-V173 HydrophobicContact CG2-CG1 4.03Å; V138-V173 HydrophobicContact CG2-CG2 4.03Å; V138-Y177 HydrophobicContact CB-CE2 4.26Å; V138-Y177 HydrophobicContact CG1-CE2 4.03Å; V138-Y177 HydrophobicContact CG2-CE2 4.45Å; V138-V325 WeakPolarHBondContact CA-O 3.44Å; V138-V325 HydrophobicContact CG2-CB 4.32Å; V138-F327 HydrophobicContact CG1-CD2 3.91Å; V138-F327 HydrophobicContact CG1-CE2 3.7Å
139N95.9Very high94.8Very high0 Ų041.2 Ų41.20%019%0.193CC..EExtended strand (participates in β ladder)trans-75.4120.8176.770.7-47.4000111.8D32 E33 F34 G142 I143 V325 Y326 F327D32-N139 HydrophobicContact CB-CB 3.83Å; D32-N139 PolarHBondContact OD2-ND2 3.26Å; E33-N139 WeakPolarHBondContact O-CA 3.21Å; F34-N139 HydrophobicContact CD1-CB 4.47Å; F34-N139 HydrophobicContact CE1-CB 4.3Å; F34-N139 HydrophobicContact CZ-CB 4.46Å; N139-G142 WeakPolarHBondContact ND2-CA 3.47Å; N139-G142 PolarHBondContact ND2-N 3.4Å; N139-G142 PolarHBondContact O-N 3.18Å; N139-I143 PolarHBondContact O-N 2.84Å; N139-V325 PolarHBondContact N-O 2.83Å; N139-V325 PolarHBondContact OD1-O 2.92Å; N139-Y326 HydrophobicContact CB-CD2 3.88Å; N139-Y326 HydrophobicContact CB-CE2 4.05Å; N139-Y326 WeakPolarHBondContact ND2-CE2 3.41Å; N139-Y326 WeakPolarHBondContact OD1-CA 3.42Å; N139-F327 PolarHBondContact ND2-O 3.4Å; N139-F327 PolarHBondContact OD1-N 3.21Å
140E92.8Very high94.7Very high76 Ų7641.4 Ų41.436%0.35520%0.195SC..Hα-helixtrans-67.3-42.1-173.1-66.4-177.4118.600112.8E33 E35 V138 G142 I143 Q144E33-E140 PolarHBondContact O-N 2.73Å; E35-E140 HydrophobicContact CB-CG 3.85Å; V138-E140 PolarHBondContact O-N 2.91Å; E140-G142 VanDerWaalsContact C-N 3.29Å; E140-G142 PolarHBondContact O-N 2.77Å; E140-I143 WeakPolarHBondContact O-CB 3.23Å; E140-I143 PolarHBondContact O-N 2.97Å; E140-I143 VanDerWaalsContact O-N 3.09Å; E140-Q144 WeakPolarHBondContact O-CG 3.43Å; E140-Q144 PolarHBondContact O-N 3.07Å
141D93.7Very high94.6Very high49 Ų4942.8 Ų42.826%0.26220%0.202SC..Hα-helixtrans-60.8-39.4179.9176.665.9000111.8D32 I143 Q144 K145D32-D141 HydrophobicContact CB-CB 4.37Å; D141-I143 PolarHBondContact O-N 3.42Å; D141-Q144 PolarHBondContact O-N 3.43Å; D141-K145 WeakPolarHBondContact O-CB 3.43Å; D141-K145 WeakPolarHBondContact O-CG 3.45Å; D141-K145 PolarHBondContact O-N 2.92Å; D141-K145 WeakPolarHBondContact OD2-CD 3.48Å; D141-K145 WeakPolarHBondContact OD2-CE 3.35Å; D141-K145 IonicContact OD2-NZ 3.06Å; D141-K145 PolarHBondContact OD2-NZ 3.04Å
142G95.6Very high94.6Very high1 Ų141.9 Ų41.91%0.0120%0.198CC..Hα-helixtrans-62.5-39.917400000112.9N139 E140 K145 L146 F327N139-G142 WeakPolarHBondContact ND2-CA 3.47Å; N139-G142 PolarHBondContact ND2-N 3.4Å; N139-G142 PolarHBondContact O-N 3.18Å; E140-G142 VanDerWaalsContact C-N 3.29Å; E140-G142 PolarHBondContact O-N 2.77Å; G142-K145 PolarHBondContact O-N 3.14Å; G142-L146 WeakPolarHBondContact O-CB 3.23Å; G142-L146 PolarHBondContact O-N 2.67Å; G142-F327 WeakPolarHBondContact CA-O 3.49Å
143I95.9Very high94.7Very high9 Ų942.7 Ų42.75%0.04620%0.201CC..Hα-helixtrans-64.5-43.6174.2-67.6-64.5000111.3V138 N139 E140 D141 K145 L146 Q147 V173 Y177 L179 F327V138-I143 HydrophobicContact CG1-CD1 3.92Å; V138-I143 HydrophobicContact CG1-CG1 3.69Å; N139-I143 PolarHBondContact O-N 2.84Å; E140-I143 WeakPolarHBondContact O-CB 3.23Å; E140-I143 PolarHBondContact O-N 2.97Å; E140-I143 VanDerWaalsContact O-N 3.09Å; D141-I143 PolarHBondContact O-N 3.42Å; I143-K145 PolarHBondContact O-N 3.17Å; I143-L146 WeakPolarHBondContact O-CB 3.43Å; I143-L146 PolarHBondContact O-N 3.02Å; I143-Q147 WeakPolarHBondContact O-CB 3.5Å; I143-Q147 PolarHBondContact O-N 3.21Å; I143-V173 HydrophobicContact CD1-CG1 4.12Å; I143-Y177 HydrophobicContact CD1-CD2 3.8Å; I143-Y177 HydrophobicContact CD1-CE2 3.97Å; I143-Y177 HydrophobicContact CD1-CG 4.47Å; I143-Y177 HydrophobicContact CG1-CD2 4.01Å; I143-Y177 HydrophobicContact CG1-CE2 3.84Å; I143-Y177 HydrophobicContact CG1-CG 4.48Å; I143-Y177 HydrophobicContact CG2-CD1 3.84Å; I143-Y177 HydrophobicContact CG2-CD2 4.1Å; I143-Y177 HydrophobicContact CG2-CE1 4.28Å; I143-Y177 HydrophobicContact CG2-CG 3.73Å; I143-L179 HydrophobicContact CG2-CD1 4.34Å; I143-F327 HydrophobicContact CD1-CD1 4.49Å; I143-F327 HydrophobicContact CD1-CD2 3.71Å; I143-F327 HydrophobicContact CD1-CE1 4.28Å; I143-F327 HydrophobicContact CD1-CE2 3.5Å; I143-F327 VanDerWaalsContact CD1-CE2 3.5Å; I143-F327 HydrophobicContact CD1-CG 4.22Å; I143-F327 HydrophobicContact CD1-CZ 3.79Å; I143-F327 HydrophobicContact CG1-CD2 4.29Å; I143-F327 HydrophobicContact CG1-CE2 4.42Å
144Q94.8Very high94.7Very high104 Ų10442.7 Ų42.749%0.48620%0.202SC..Hα-helixtrans-64.4-39.1177.7-66.7176.419.200112.2E140 D141 Q147 R148E140-Q144 WeakPolarHBondContact O-CG 3.43Å; E140-Q144 PolarHBondContact O-N 3.07Å; D141-Q144 PolarHBondContact O-N 3.43Å; Q144-Q147 PolarHBondContact O-N 3.21Å; Q144-R148 PolarHBondContact O-N 3.32Å; Q144-R148 PolarHBondContact O-NE 2.91Å
145K95.9Very high94.8Very high49 Ų4940.5 Ų40.521%0.21319%0.186CC..Hα-helixtrans-64.7-43.9172.9-74.3168.4176.9169.10111.5D141 G142 I143 R148 A149 D329 P330D141-K145 WeakPolarHBondContact O-CB 3.43Å; D141-K145 WeakPolarHBondContact O-CG 3.45Å; D141-K145 PolarHBondContact O-N 2.92Å; D141-K145 WeakPolarHBondContact OD2-CD 3.48Å; D141-K145 WeakPolarHBondContact OD2-CE 3.35Å; D141-K145 IonicContact OD2-NZ 3.06Å; D141-K145 PolarHBondContact OD2-NZ 3.04Å; G142-K145 PolarHBondContact O-N 3.14Å; I143-K145 PolarHBondContact O-N 3.17Å; K145-R148 PolarHBondContact O-N 2.92Å; K145-A149 WeakPolarHBondContact O-CB 2.72Å; K145-A149 PolarHBondContact O-N 3.16Å; K145-D329 VanDerWaalsContact CD-OD1 3.25Å; K145-D329 WeakPolarHBondContact CD-OD1 3.32Å; K145-D329 VanDerWaalsContact CE-OD1 3.27Å; K145-D329 WeakPolarHBondContact CE-OD1 3.33Å; K145-D329 IonicContact NZ-OD1 3.95Å; K145-D329 PolarHBondContact NZ-OD1 2.6Å; K145-P330 HydrophobicContact CB-CG 4.29Å
146L96.1Very high95Very high2 Ų235.5 Ų35.51%0.0116%0.164CC..Hα-helixtrans-59.3-48.5174.6175.660.4000110.6G142 I143 R148 A149 V150 V155 L157 L174 L179 V277 F327G142-L146 WeakPolarHBondContact O-CB 3.23Å; G142-L146 PolarHBondContact O-N 2.67Å; I143-L146 WeakPolarHBondContact O-CB 3.43Å; I143-L146 PolarHBondContact O-N 3.02Å; L146-R148 VanDerWaalsContact C-N 3.27Å; L146-R148 PolarHBondContact O-N 3.5Å; L146-A149 WeakPolarHBondContact O-CA 3.42Å; L146-A149 WeakPolarHBondContact O-CB 3.29Å; L146-A149 PolarHBondContact O-N 3.46Å; L146-V150 HydrophobicContact CD1-CG2 4Å; L146-V150 HydrophobicContact CG-CG2 4.14Å; L146-V150 WeakPolarHBondContact O-CG2 3.48Å; L146-V150 PolarHBondContact O-N 3.09Å; L146-V155 HydrophobicContact CD1-CG1 3.97Å; L146-L157 HydrophobicContact CD1-CD2 3.9Å; L146-L157 HydrophobicContact CD2-CD2 4.46Å; L146-L174 HydrophobicContact CD2-CD1 4.17Å; L146-L179 HydrophobicContact CD2-CD1 3.72Å; L146-L179 HydrophobicContact CG-CD1 4.07Å; L146-V277 HydrophobicContact CD1-CG2 4.11Å; L146-F327 HydrophobicContact CD2-CD1 3.82Å; L146-F327 HydrophobicContact CD2-CE1 3.66Å
147Q94.4Very high95.1Very high85 Ų8535.5 Ų35.540%0.39716%0.164SC..Hα-helixtrans-54.6-41.6179.8-172.2178.21300112.4I143 Q144 Q151 L179I143-Q147 WeakPolarHBondContact O-CB 3.5Å; I143-Q147 PolarHBondContact O-N 3.21Å; Q144-Q147 PolarHBondContact O-N 3.21Å; Q147-Q151 WeakPolarHBondContact O-CG 3.48Å; Q147-Q151 PolarHBondContact O-NE2 3.12Å; Q147-L179 HydrophobicContact CB-CD2 3.91Å; Q147-L179 HydrophobicContact CG-CD2 3.91Å
148R93.8Very high95.1Very high136 Ų13635 Ų3551%0.51316%0.161SC..Hα-helixtrans-65.9-47.6173.1-71.8-178.7-77.5166.9-8.3111.7Q144 K145 L146 V150 Q151 E152Q144-R148 PolarHBondContact O-N 3.32Å; Q144-R148 PolarHBondContact O-NE 2.91Å; K145-R148 PolarHBondContact O-N 2.92Å; L146-R148 VanDerWaalsContact C-N 3.27Å; L146-R148 PolarHBondContact O-N 3.5Å; R148-V150 VanDerWaalsContact C-N 3.32Å; R148-V150 PolarHBondContact O-N 3.31Å; R148-Q151 WeakPolarHBondContact O-CB 3.23Å; R148-Q151 PolarHBondContact O-N 3.4Å; R148-E152 PolarHBondContact O-N 2.78Å
149A94.4Very high95.1Very high4 Ų435 Ų353%0.03316%0.161CC..Hα-helixtrans-57.2-42.4-179.400000112.7K145 L146 Q151 E152 H153 V155 Y275 P330K145-A149 WeakPolarHBondContact O-CB 2.72Å; K145-A149 PolarHBondContact O-N 3.16Å; L146-A149 WeakPolarHBondContact O-CA 3.42Å; L146-A149 WeakPolarHBondContact O-CB 3.29Å; L146-A149 PolarHBondContact O-N 3.46Å; A149-Q151 PolarHBondContact O-N 3.14Å; A149-E152 PolarHBondContact O-N 2.66Å; A149-H153 PolarHBondContact O-N 2.97Å; A149-H153 VanDerWaalsContact O-N 3.13Å; A149-V155 HydrophobicContact CB-CG2 4.08Å; A149-Y275 HydrophobicContact CB-CD2 3.66Å; A149-Y275 HydrophobicContact CB-CE2 4.2Å; A149-Y275 HydrophobicContact CB-CG 4.35Å; A149-P330 HydrophobicContact CB-CB 3.99Å; A149-P330 HydrophobicContact CB-CG 3.84Å
150V92.8Very high95.1Very high7 Ų735.2 Ų35.24%0.04216%0.162CC..Hα-helixtrans-66.6-21.2-180-137.70000113.1Y59 L146 R148 V155 P180 P236Y59-V150 WeakPolarHBondContact CA-O 3.49Å; Y59-V150 WeakPolarHBondContact CB-O 3.35Å; Y59-V150 PolarHBondContact N-O 2.88Å; Y59-V150 VanDerWaalsContact N-O 3.14Å; L146-V150 HydrophobicContact CD1-CG2 4Å; L146-V150 HydrophobicContact CG-CG2 4.14Å; L146-V150 WeakPolarHBondContact O-CG2 3.48Å; L146-V150 PolarHBondContact O-N 3.09Å; R148-V150 VanDerWaalsContact C-N 3.32Å; R148-V150 PolarHBondContact O-N 3.31Å; V150-V155 HydrophobicContact CB-CG2 4.34Å; V150-V155 HydrophobicContact CG1-CG2 4.2Å; V150-P180 HydrophobicContact CG1-CG 4.19Å; V150-P236 HydrophobicContact CG1-CG 4Å
151Q90.7Very high95.1Very high80 Ų8032.5 Ų32.537%0.37415%0.15SC..Hα-helixtrans-84.5-30.9177.1-64.6177.33300112.1T57 R60 Q147 R148 A149T57-Q151 HydrophobicContact CG2-CG 3.71Å; R60-Q151 PolarHBondContact N-O 3.42Å; Q147-Q151 WeakPolarHBondContact O-CG 3.48Å; Q147-Q151 PolarHBondContact O-NE2 3.12Å; R148-Q151 WeakPolarHBondContact O-CB 3.23Å; R148-Q151 PolarHBondContact O-N 3.4Å; A149-Q151 PolarHBondContact O-N 3.14Å
152E91.9Very high95Very high102 Ų10231.3 Ų31.348%0.47714%0.141SC..Hα-helixtrans-88.4-42.8-172.1-73.1-179.5176.300114.1Y59 R148 A149 Y275Y59-E152 WeakPolarHBondContact CE2-O 3.41Å; R148-E152 PolarHBondContact O-N 2.78Å; A149-E152 PolarHBondContact O-N 2.66Å; E152-Y275 HydrophobicContact CB-CE2 4.09Å; E152-Y275 PolarHBondContact OE2-OH 2.91Å
153H94.2Very high94.8Very high22 Ų2231.2 Ų31.210%0.10214%0.141CC..SBendtrans-151.3161.2-175.5-69-52.8000112.3A149 V155 F272 Y275A149-H153 PolarHBondContact O-N 2.97Å; A149-H153 VanDerWaalsContact O-N 3.13Å; H153-V155 PolarHBondContact O-N 3.4Å; H153-F272 AromaticContact CE1-CD1 3.47Å; H153-F272 VanDerWaalsContact CE1-CD1 3.47Å; H153-F272 WeakPolarHBondContact CE1-CD1 3.31Å; H153-F272 AromaticContact NE2-CD1 3.86Å; H153-Y275 HydrophobicContact CB-CD2 3.82Å; H153-Y275 HydrophobicContact CB-CE2 3.85Å; H153-Y275 AromaticContact CD2-CE2 3.61Å; H153-Y275 AromaticContact CD2-CZ 3.66Å
154P95.4Very high94.3Very high4 Ų432.9 Ų32.93%0.02615%0.147CC..  trans-54.7133.9170-2635.2000112Y59 L230 V271 T274 Y275Y59-P154 HydrophobicContact CE1-CG 4.43Å; P154-L230 HydrophobicContact CB-CD2 4.07Å; P154-L230 WeakPolarHBondContact CG-O 3.48Å; P154-V271 HydrophobicContact CG-CG1 4.36Å; P154-T274 WeakPolarHBondContact O-CA 3.3Å; P154-Y275 PolarHBondContact O-N 2.92Å
155V96.9Very high94.2Very high4 Ų429 Ų292%0.02413%0.129CC..EExtended strand (participates in β ladder)trans-109.4137.5-176.81750000110.7L146 A149 V150 H153 L157 P236 V237 V277L146-V155 HydrophobicContact CD1-CG1 3.97Å; A149-V155 HydrophobicContact CB-CG2 4.08Å; V150-V155 HydrophobicContact CB-CG2 4.34Å; V150-V155 HydrophobicContact CG1-CG2 4.2Å; H153-V155 PolarHBondContact O-N 3.4Å; V155-L157 HydrophobicContact CG1-CD2 3.61Å; V155-L157 HydrophobicContact CG1-CG 4.3Å; V155-P236 HydrophobicContact CB-CB 4.28Å; V155-P236 HydrophobicContact CG1-CB 4.31Å; V155-P236 VanDerWaalsContact O-CA 3.3Å; V155-P236 WeakPolarHBondContact O-CA 3.27Å; V155-V237 PolarHBondContact O-N 3.48Å; V155-V277 HydrophobicContact CG1-CG2 3.75Å
156V98.4Very high94.1Very high0 Ų026.6 Ų26.60%012%0.119CC..EExtended strand (participates in β ladder)trans-117.9118.1169.5172.40000108.3L158 L230 V237 F239 V262 T274 Y275 F276 V277V156-L158 HydrophobicContact CG1-CD1 4.45Å; V156-L158 HydrophobicContact CG1-CD2 3.65Å; V156-L158 HydrophobicContact CG1-CG 3.97Å; V156-L230 HydrophobicContact CG2-CD2 3.7Å; V156-V237 CarbonylContact C-O 3.6Å; V156-V237 VanDerWaalsContact CA-O 3.25Å; V156-V237 WeakPolarHBondContact CA-O 3.45Å; V156-V237 HydrophobicContact CG2-CB 4.42Å; V156-F239 HydrophobicContact CG1-CD1 4.1Å; V156-F239 HydrophobicContact CG1-CE1 3.4Å; V156-F239 HydrophobicContact CG1-CZ 4.13Å; V156-V262 HydrophobicContact CG2-CB 4.2Å; V156-V262 HydrophobicContact CG2-CG1 4.4Å; V156-V262 HydrophobicContact CG2-CG2 4.49Å; V156-T274 HydrophobicContact CG2-CG2 3.89Å; V156-Y275 PolarHBondContact N-O 3.06Å; V156-F276 HydrophobicContact CB-CD1 3.73Å; V156-F276 HydrophobicContact CB-CE1 3.97Å; V156-F276 HydrophobicContact CG1-CD1 3.96Å; V156-F276 HydrophobicContact CG1-CE1 4.15Å; V156-F276 HydrophobicContact CG2-CD1 4.36Å; V156-F276 HydrophobicContact CG2-CE1 4.12Å; V156-V277 PolarHBondContact O-N 3.12Å
157L98.6Very high93.9Very high0 Ų027.7 Ų27.70%012%0.123CC..EExtended strand (participates in β ladder)trans-88.7124.8178.8-54.1177000109L146 V155 P159 L170 L174 P182 P236 V237 E238 F239 V277 I279L146-L157 HydrophobicContact CD1-CD2 3.9Å; L146-L157 HydrophobicContact CD2-CD2 4.46Å; V155-L157 HydrophobicContact CG1-CD2 3.61Å; V155-L157 HydrophobicContact CG1-CG 4.3Å; L157-P159 VanDerWaalsContact C-CD 3.44Å; L157-P159 VanDerWaalsContact O-CD 3.3Å; L157-P159 WeakPolarHBondContact O-CD 2.95Å; L157-L170 HydrophobicContact CB-CD2 4Å; L157-L170 HydrophobicContact CD1-CD2 3.8Å; L157-L170 HydrophobicContact CD1-CG 4.28Å; L157-L170 HydrophobicContact CG-CD2 4.5Å; L157-L174 HydrophobicContact CD1-CD2 3.66Å; L157-P182 HydrophobicContact CD1-CB 3.96Å; L157-P182 HydrophobicContact CD1-CG 4.2Å; L157-P236 HydrophobicContact CD1-CB 3.89Å; L157-P236 HydrophobicContact CG-CB 3.91Å; L157-V237 PolarHBondContact N-O 2.92Å; L157-E238 HydrophobicContact CB-CB 4.3Å; L157-E238 HydrophobicContact CB-CG 4.38Å; L157-F239 PolarHBondContact O-N 2.86Å; L157-V277 HydrophobicContact CD2-CB 4.08Å; L157-V277 HydrophobicContact CD2-CG2 4.34Å; L157-I279 HydrophobicContact CB-CD1 3.93Å; L157-I279 HydrophobicContact CD2-CD1 4.1Å; L157-I279 HydrophobicContact CG-CD1 4.48Å
158L98.3Very high94Very high0 Ų025.2 Ų25.20%011%0.113CC..EExtended strand (participates in β ladder)trans-121.481.1-176.5-59.3174.5000109V156 F239 L241 F276 V277 I279 I372 Q376V156-L158 HydrophobicContact CG1-CD1 4.45Å; V156-L158 HydrophobicContact CG1-CD2 3.65Å; V156-L158 HydrophobicContact CG1-CG 3.97Å; L158-F239 HydrophobicContact CD2-CD1 4.11Å; L158-F239 HydrophobicContact CD2-CD2 4.09Å; L158-F239 HydrophobicContact CD2-CE1 3.7Å; L158-F239 HydrophobicContact CD2-CE2 3.67Å; L158-F239 HydrophobicContact CD2-CG 4.3Å; L158-F239 HydrophobicContact CD2-CZ 3.46Å; L158-F239 VanDerWaalsContact CD2-CZ 3.46Å; L158-L241 HydrophobicContact CB-CD1 4.47Å; L158-L241 HydrophobicContact CD1-CD1 4.21Å; L158-L241 HydrophobicContact CD1-CG 4.49Å; L158-L241 HydrophobicContact CD2-CD2 4.3Å; L158-L241 HydrophobicContact CD2-CG 4.14Å; L158-F276 HydrophobicContact CD1-CB 3.93Å; L158-F276 HydrophobicContact CD1-CD1 3.96Å; L158-F276 HydrophobicContact CD1-CG 4.08Å; L158-V277 PolarHBondContact N-O 3.44Å; L158-I279 PolarHBondContact O-N 3.25Å; L158-I372 HydrophobicContact CB-CG2 3.99Å; L158-I372 HydrophobicContact CD1-CB 4.43Å; L158-I372 HydrophobicContact CD1-CG1 4.16Å; L158-I372 HydrophobicContact CD1-CG2 3.69Å; L158-I372 HydrophobicContact CG-CG2 4.48Å; L158-Q376 PolarHBondContact O-NE2 3.44Å
159P97.6Very high94.1Very high0 Ų018.7 Ų18.70%09%0.088CC..EExtended strand (participates in β ladder)trans-76.6153.4174.629.4-33.8000113.7L157 L170 E238 F240 I279 I281 Q376L157-P159 VanDerWaalsContact C-CD 3.44Å; L157-P159 VanDerWaalsContact O-CD 3.3Å; L157-P159 WeakPolarHBondContact O-CD 2.95Å; P159-L170 HydrophobicContact CG-CD2 4.23Å; P159-E238 HydrophobicContact CG-CG 4.11Å; P159-F240 HydrophobicContact CB-CD1 4.32Å; P159-F240 HydrophobicContact CB-CE1 3.97Å; P159-F240 HydrophobicContact CG-CD1 3.75Å; P159-F240 HydrophobicContact CG-CE1 3.46Å; P159-F240 VanDerWaalsContact CG-CE1 3.46Å; P159-F240 HydrophobicContact CG-CZ 4.06Å; P159-F240 WeakPolarHBondContact O-CD1 3.42Å; P159-I279 CarbonylContact C-O 3.52Å; P159-I279 VanDerWaalsContact CA-O 3.3Å; P159-I279 WeakPolarHBondContact CA-O 3.43Å; P159-I279 HydrophobicContact CB-CB 4.18Å; P159-I279 HydrophobicContact CB-CG2 4.38Å; P159-I281 HydrophobicContact CB-CD1 4.21Å; P159-Q376 VanDerWaalsContact C-NE2 3.3Å; P159-Q376 PolarHBondContact O-NE2 3.38Å
160S95.1Very high94.2Very high5 Ų518.6 Ų18.64%0.0359%0.087CC..  trans-67.3147162.560.10000110.8I279 I281S160-I279 PolarHBondContact N-O 3.32Å; S160-I281 PolarHBondContact OG-N 2.86Å
161H93.3Very high94.4Very high20 Ų2019 Ų199%0.0939%0.09CC..  trans-115106.7-176.5-149.110.8000113.5D166 F240 E242 R245 S246H161-D166 WeakPolarHBondContact CA-OD2 3.45Å; H161-D166 IonicContact CE1-OD2 3.01Å; H161-D166 IonicContact CG-OD2 2.92Å; H161-D166 IonicContact ND1-OD2 3.14Å; H161-D166 PolarHBondContact ND1-OD2 3.37Å; H161-F240 HydrophobicContact CB-CB 4.03Å; H161-F240 HydrophobicContact CB-CD1 3.35Å; H161-F240 HydrophobicContact CB-CE1 3.96Å; H161-F240 HydrophobicContact CB-CG 3.81Å; H161-F240 AromaticContact CD2-CD1 3.77Å; H161-F240 AromaticContact CD2-CD2 3.64Å; H161-F240 AromaticContact CD2-CG 3.45Å; H161-F240 VanDerWaalsContact CD2-CG 3.45Å; H161-F240 WeakPolarHBondContact CD2-CG 3.37Å; H161-F240 AromaticContact CE1-CE1 3.81Å; H161-F240 AromaticContact CE1-CE2 3.69Å; H161-F240 AromaticContact CE1-CZ 3.58Å; H161-F240 AromaticContact CG-CD1 3.3Å; H161-F240 AromaticContact CG-CE1 3.6Å; H161-F240 AromaticContact CG-CG 3.52Å; H161-F240 AromaticContact ND1-CD1 3.6Å; H161-F240 AromaticContact ND1-CE1 3.34Å; H161-F240 VanDerWaalsContact ND1-CE1 3.34Å; H161-F240 WeakPolarHBondContact ND1-CE1 3.46Å; H161-F240 AromaticContact ND1-CZ 3.61Å; H161-F240 AromaticContact NE2-CD2 3.68Å; H161-F240 AromaticContact NE2-CE2 3.77Å; H161-F240 AromaticContact NE2-CG 3.98Å; H161-E242 PolarHBondContact N-OE1 3.48Å; H161-R245 HydrophobicContact CB-CG 4.41Å; H161-R245 VanDerWaalsContact CD2-CG 3.48Å; H161-R245 WeakPolarHBondContact CD2-CG 3.4Å; H161-R245 WeakPolarHBondContact CE1-CG 3.32Å; H161-R245 WeakPolarHBondContact ND1-CG 3.47Å; H161-R245 VanDerWaalsContact NE2-CG 3.34Å; H161-R245 WeakPolarHBondContact NE2-CG 3.28Å; H161-S246 PolarHBondContact O-N 3.1Å; H161-S246 VanDerWaalsContact O-N 3.16Å
162R91.2Very high94.7Very high23 Ų2315.4 Ų15.49%0.0877%0.073CC..  trans-125.8-38.7-176.6-57.2-63.5173.5-109.90.6112.6D166 E242 S246 K250 T251 Y283 Y292R162-D166 PolarHBondContact N-OD2 3.02Å; R162-E242 IonicContact CZ-OE1 3.52Å; R162-E242 IonicContact CZ-OE2 3.29Å; R162-E242 VanDerWaalsContact NH1-CD 3.28Å; R162-E242 IonicContact NH1-OE1 3.3Å; R162-E242 PolarHBondContact NH1-OE1 3.25Å; R162-E242 IonicContact NH1-OE2 2.85Å; R162-E242 PolarHBondContact NH1-OE2 3.36Å; R162-E242 IonicContact NH2-OE1 3.58Å; R162-E242 IonicContact NH2-OE2 2.8Å; R162-S246 VanDerWaalsContact NH1-CB 3.29Å; R162-K250 PolarHBondContact NH1-O 3.15Å; R162-T251 PolarHBondContact NH2-OG1 3.33Å; R162-Y283 HydrophobicContact CB-CD2 4.36Å; R162-Y283 HydrophobicContact CB-CE2 4.17Å; R162-Y292 VanDerWaalsContact O-CE2 3.24Å; R162-Y292 WeakPolarHBondContact O-CE2 3.48Å; R162-Y292 PolarHBondContact O-OH 3.12Å
163S91.3Very high94.9Very high0 Ų010.5 Ų10.50%05%0.051CC..SBendtrans-125.8163-174.7-174.70000113I165 D166 R245 E288S163-I165 PolarHBondContact O-N 3.23Å; S163-I165 PolarHBondContact OG-N 3.27Å; S163-D166 PolarHBondContact N-OD1 2.92Å; S163-D166 PolarHBondContact N-OD2 2.9Å; S163-D166 VanDerWaalsContact O-CG 3.26Å; S163-D166 VanDerWaalsContact O-OD2 3.07Å; S163-R245 WeakPolarHBondContact O-CD 3.25Å; S163-E288 VanDerWaalsContact OG-CD 3.25Å; S163-E288 PolarHBondContact OG-OE1 2.82Å; S163-E288 PolarHBondContact OG-OE2 3.32Å
164Y86.1Confident95.1Very high43 Ų439.6 Ų9.617%0.1695%0.046CC..THydrogen-bonded Turntrans-63.5-24.3169.6-81.7-73.9000112.8F167 R245 E288 K301 E304Y164-F167 WeakPolarHBondContact O-CE1 3.31Å; Y164-R245 VanDerWaalsContact CD2-NH1 3.29Å; Y164-R245 VanDerWaalsContact CE1-NH1 3.32Å; Y164-R245 PolarHBondContact OH-NH1 2.91Å; Y164-R245 PolarHBondContact OH-NH2 3.34Å; Y164-R245 VanDerWaalsContact OH-NH2 3.08Å; Y164-E288 WeakPolarHBondContact CB-OE1 3.38Å; Y164-E288 HydrophobicContact CD2-CG 3.61Å; Y164-E288 VanDerWaalsContact CD2-OE1 3.23Å; Y164-E288 WeakPolarHBondContact CD2-OE1 3.4Å; Y164-E288 HydrophobicContact CE2-CG 4.07Å; Y164-E288 PolarHBondContact N-OE1 3.22Å; Y164-K301 WeakPolarHBondContact OH-CE 3.34Å; Y164-K301 PolarHBondContact OH-NZ 3.3Å; Y164-E304 VanDerWaalsContact CE1-OE1 3.31Å; Y164-E304 WeakPolarHBondContact CE1-OE1 3.5Å; Y164-E304 VanDerWaalsContact CZ-OE1 3.28Å; Y164-E304 PolarHBondContact OH-OE1 3.1Å
165I91.3Very high95.1Very high22 Ų229.5 Ų9.511%0.1135%0.045CC..THydrogen-bonded Turntrans-87.1-5.8-175.968.7169.8000113.4F129 F133 S163 F167 L168 M169 Y283 L287 I323F129-I165 HydrophobicContact CE1-CD1 4.17Å; F133-I165 HydrophobicContact CE2-CD1 3.73Å; F133-I165 HydrophobicContact CZ-CD1 3.62Å; S163-I165 PolarHBondContact O-N 3.23Å; S163-I165 PolarHBondContact OG-N 3.27Å; I165-F167 PolarHBondContact O-N 3.39Å; I165-L168 CarbonylContact O-C 3.58Å; I165-L168 WeakPolarHBondContact O-CB 3.49Å; I165-L168 PolarHBondContact O-N 3.39Å; I165-L168 VanDerWaalsContact O-N 3.07Å; I165-M169 HydrophobicContact CD1-CE 4.35Å; I165-M169 WeakPolarHBondContact O-CB 3.35Å; I165-M169 PolarHBondContact O-N 3.13Å; I165-Y283 HydrophobicContact CD1-CE1 4.07Å; I165-Y283 HydrophobicContact CG1-CE1 4.27Å; I165-L287 HydrophobicContact CD1-CD1 4.3Å; I165-I323 HydrophobicContact CD1-CD1 4.2Å
166D94.6Very high95.1Very high0 Ų010.1 Ų10.10%05%0.048CC..Hα-helixtrans-52.8-48.9-172.7-65.8-21.1000113.2H161 R162 S163 M169 L170 F240 I281 Y283H161-D166 WeakPolarHBondContact CA-OD2 3.45Å; H161-D166 IonicContact CE1-OD2 3.01Å; H161-D166 IonicContact CG-OD2 2.92Å; H161-D166 IonicContact ND1-OD2 3.14Å; H161-D166 PolarHBondContact ND1-OD2 3.37Å; R162-D166 PolarHBondContact N-OD2 3.02Å; S163-D166 PolarHBondContact N-OD1 2.92Å; S163-D166 PolarHBondContact N-OD2 2.9Å; S163-D166 VanDerWaalsContact O-CG 3.26Å; S163-D166 VanDerWaalsContact O-OD2 3.07Å; D166-M169 WeakPolarHBondContact O-CB 3.44Å; D166-M169 PolarHBondContact O-N 3.14Å; D166-L170 PolarHBondContact O-N 3.05Å; D166-F240 HydrophobicContact CB-CE1 3.89Å; D166-F240 HydrophobicContact CB-CZ 3.93Å; D166-I281 HydrophobicContact CB-CD1 3.9Å; D166-Y283 WeakPolarHBondContact OD1-CE2 3.41Å; D166-Y283 PolarHBondContact OD1-OH 3.3Å
167F92.8Very high94.9Very high24 Ų2412.4 Ų12.411%0.1056%0.057CC..Hα-helixtrans-72.2-31.4-178.366-93.7000112.7Y164 I165 S171 I184 F190 L200 E238 F240Y164-F167 WeakPolarHBondContact O-CE1 3.31Å; I165-F167 PolarHBondContact O-N 3.39Å; F167-S171 WeakPolarHBondContact O-CB 3.49Å; F167-S171 PolarHBondContact O-N 3.41Å; F167-S171 VanDerWaalsContact O-N 3.15Å; F167-S171 PolarHBondContact O-OG 2.9Å; F167-I184 HydrophobicContact CB-CD1 4.27Å; F167-I184 HydrophobicContact CB-CG2 4.05Å; F167-I184 HydrophobicContact CD2-CD1 4.09Å; F167-F190 HydrophobicContact CE1-CZ 4.37Å; F167-L200 HydrophobicContact CE2-CD2 3.82Å; F167-L200 HydrophobicContact CZ-CD2 4.43Å; F167-E238 VanDerWaalsContact CA-OE1 3.26Å; F167-E238 WeakPolarHBondContact CA-OE1 3.39Å; F167-E238 VanDerWaalsContact CB-OE1 3.23Å; F167-E238 WeakPolarHBondContact CB-OE1 3.44Å; F167-F240 HydrophobicContact CB-CE2 4.23Å; F167-F240 HydrophobicContact CB-CZ 4.02Å
168L94.8Very high94.7Very high33 Ų3315.3 Ų15.317%0.1737%0.073CC..Hα-helixtrans-71.1-37.8173.2-65.9176000110.8F121 L125 I165 S171 F172 L200F121-L168 HydrophobicContact CD1-CD2 4.29Å; F121-L168 HydrophobicContact CE1-CD2 4.21Å; L125-L168 HydrophobicContact CD1-CB 4.04Å; L125-L168 HydrophobicContact CD2-CB 4.37Å; L125-L168 HydrophobicContact CD2-CD1 4.31Å; I165-L168 CarbonylContact O-C 3.58Å; I165-L168 WeakPolarHBondContact O-CB 3.49Å; I165-L168 PolarHBondContact O-N 3.39Å; I165-L168 VanDerWaalsContact O-N 3.07Å; L168-S171 PolarHBondContact O-N 3.41Å; L168-F172 VanDerWaalsContact O-CB 3.29Å; L168-F172 WeakPolarHBondContact O-CB 3.21Å; L168-F172 PolarHBondContact O-N 3.13Å; L168-L200 HydrophobicContact CD2-CD2 4.08Å
169M96.1Very high94.5Very high0 Ų015.6 Ų15.60%08%0.075CC..Hα-helixtrans-61-49.4176-178.656.56400109.8F129 V136 I165 D166 S171 F172 V173 I323 V325F129-M169 HydrophobicContact CD1-CE 4.26Å; F129-M169 HydrophobicContact CD2-CE 3.89Å; F129-M169 HydrophobicContact CD2-SD 4.45Å; F129-M169 HydrophobicContact CE1-CE 3.87Å; F129-M169 HydrophobicContact CE2-CE 3.44Å; F129-M169 VanDerWaalsContact CE2-CE 3.44Å; F129-M169 HydrophobicContact CE2-SD 3.92Å; F129-M169 HydrophobicContact CG-CE 4.28Å; F129-M169 HydrophobicContact CZ-CE 3.44Å; F129-M169 VanDerWaalsContact CZ-CE 3.44Å; F129-M169 HydrophobicContact CZ-SD 4.36Å; V136-M169 HydrophobicContact CG1-SD 3.79Å; V136-M169 HydrophobicContact CG2-CE 4.31Å; I165-M169 HydrophobicContact CD1-CE 4.35Å; I165-M169 WeakPolarHBondContact O-CB 3.35Å; I165-M169 PolarHBondContact O-N 3.13Å; D166-M169 WeakPolarHBondContact O-CB 3.44Å; D166-M169 PolarHBondContact O-N 3.14Å; M169-S171 PolarHBondContact O-N 3.49Å; M169-F172 WeakPolarHBondContact O-CB 3.48Å; M169-F172 PolarHBondContact O-N 2.92Å; M169-F172 VanDerWaalsContact O-N 3.17Å; M169-V173 HydrophobicContact CG-CG2 4.45Å; M169-V173 VanDerWaalsContact O-CG2 3.31Å; M169-V173 WeakPolarHBondContact O-CG2 3.42Å; M169-V173 PolarHBondContact O-N 3.46Å; M169-V173 HydrophobicContact SD-CG2 4.11Å; M169-I323 HydrophobicContact CE-CD1 3.46Å; M169-I323 VanDerWaalsContact CE-CD1 3.46Å; M169-V325 HydrophobicContact CG-CG2 4.07Å
170L97Very high94.3Very high1 Ų115.9 Ų15.91%0.0058%0.076CC..Hα-helixtrans-62.4-43.8179.1-170.356000112L157 P159 D166 F172 V173 L174 E238 I279 F327L157-L170 HydrophobicContact CB-CD2 4Å; L157-L170 HydrophobicContact CD1-CD2 3.8Å; L157-L170 HydrophobicContact CD1-CG 4.28Å; L157-L170 HydrophobicContact CG-CD2 4.5Å; P159-L170 HydrophobicContact CG-CD2 4.23Å; D166-L170 PolarHBondContact O-N 3.05Å; L170-F172 VanDerWaalsContact C-N 3.32Å; L170-F172 PolarHBondContact O-N 3.45Å; L170-V173 PolarHBondContact O-N 3.49Å; L170-L174 HydrophobicContact CD1-CD1 3.63Å; L170-L174 HydrophobicContact CG-CD1 4.2Å; L170-L174 WeakPolarHBondContact O-CD1 3.41Å; L170-L174 PolarHBondContact O-N 2.9Å; L170-E238 HydrophobicContact CD2-CG 4.01Å; L170-I279 HydrophobicContact CD1-CD1 3.92Å; L170-I279 HydrophobicContact CD2-CD1 3.78Å; L170-F327 HydrophobicContact CD1-CE1 3.56Å; L170-F327 HydrophobicContact CD1-CZ 3.4Å; L170-F327 VanDerWaalsContact CD1-CZ 3.4Å
171S96.9Very high94.3Very high16 Ų1615.9 Ų15.911%0.1128%0.076CC..Hα-helixtrans-60.3-40.1174.4-64.20000112.8F167 L168 M169 Y175F167-S171 WeakPolarHBondContact O-CB 3.49Å; F167-S171 PolarHBondContact O-N 3.41Å; F167-S171 VanDerWaalsContact O-N 3.15Å; F167-S171 PolarHBondContact O-OG 2.9Å; L168-S171 PolarHBondContact O-N 3.41Å; M169-S171 PolarHBondContact O-N 3.49Å; S171-Y175 WeakPolarHBondContact O-CB 3.28Å; S171-Y175 PolarHBondContact O-N 3.3Å
172F96.9Very high94.4Very high4 Ų415 Ų152%0.0187%0.072CC..Hα-helixtrans-66.1-45.6177.2177.4-98.1000111.9I37 L38 F49 L125 F129 L168 M169 L170 Y175 N176I37-F172 HydrophobicContact CD1-CD1 4.01Å; I37-F172 HydrophobicContact CD1-CE1 3.72Å; I37-F172 HydrophobicContact CG1-CE1 4.43Å; L38-F172 HydrophobicContact CD2-CE1 4.24Å; L38-F172 HydrophobicContact CD2-CZ 4.32Å; F49-F172 HydrophobicContact CE1-CD2 4.46Å; F49-F172 AromaticContact CE1-CE2 3.72Å; F49-F172 HydrophobicContact CE1-CE2 3.72Å; F49-F172 HydrophobicContact CE1-CZ 4.32Å; F49-F172 HydrophobicContact CZ-CE2 4.05Å; F49-F172 HydrophobicContact CZ-CZ 4.36Å; L125-F172 HydrophobicContact CB-CD2 3.83Å; L125-F172 HydrophobicContact CB-CE2 4.32Å; L125-F172 HydrophobicContact CB-CG 4.49Å; L125-F172 HydrophobicContact CD1-CB 4.2Å; F129-F172 AromaticContact CD2-CD1 3.75Å; F129-F172 HydrophobicContact CD2-CD1 3.75Å; F129-F172 HydrophobicContact CD2-CD2 4.36Å; F129-F172 AromaticContact CD2-CE1 3.87Å; F129-F172 HydrophobicContact CD2-CE1 3.87Å; F129-F172 HydrophobicContact CD2-CE2 4.46Å; F129-F172 HydrophobicContact CD2-CG 4.02Å; F129-F172 HydrophobicContact CD2-CZ 4.23Å; F129-F172 HydrophobicContact CE2-CB 3.93Å; F129-F172 AromaticContact CE2-CD1 3.78Å; F129-F172 HydrophobicContact CE2-CD1 3.78Å; F129-F172 HydrophobicContact CE2-CD2 4.3Å; F129-F172 HydrophobicContact CE2-CE1 4.37Å; F129-F172 AromaticContact CE2-CG 3.74Å; F129-F172 HydrophobicContact CE2-CG 3.74Å; L168-F172 VanDerWaalsContact O-CB 3.29Å; L168-F172 WeakPolarHBondContact O-CB 3.21Å; L168-F172 PolarHBondContact O-N 3.13Å; M169-F172 WeakPolarHBondContact O-CB 3.48Å; M169-F172 PolarHBondContact O-N 2.92Å; M169-F172 VanDerWaalsContact O-N 3.17Å; L170-F172 VanDerWaalsContact C-N 3.32Å; L170-F172 PolarHBondContact O-N 3.45Å; F172-Y175 PolarHBondContact O-N 3.14Å; F172-N176 PolarHBondContact O-N 3.27Å
173V97.3Very high94.6Very high0 Ų013.9 Ų13.90%07%0.068CC..Hα-helixtrans-61-49.2176.8172.20000110.6I37 V138 I143 M169 L170 Y175 N176 Y177 F327I37-V173 HydrophobicContact CD1-CG2 3.92Å; V138-V173 HydrophobicContact CG1-CG1 4.07Å; V138-V173 HydrophobicContact CG2-CG1 4.03Å; V138-V173 HydrophobicContact CG2-CG2 4.03Å; I143-V173 HydrophobicContact CD1-CG1 4.12Å; M169-V173 HydrophobicContact CG-CG2 4.45Å; M169-V173 VanDerWaalsContact O-CG2 3.31Å; M169-V173 WeakPolarHBondContact O-CG2 3.42Å; M169-V173 PolarHBondContact O-N 3.46Å; M169-V173 HydrophobicContact SD-CG2 4.11Å; L170-V173 PolarHBondContact O-N 3.49Å; V173-Y175 VanDerWaalsContact C-N 3.31Å; V173-Y175 PolarHBondContact O-N 2.98Å; V173-N176 VanDerWaalsContact O-CB 3.32Å; V173-N176 WeakPolarHBondContact O-CB 3.44Å; V173-N176 PolarHBondContact O-N 3.25Å; V173-N176 VanDerWaalsContact O-N 3.07Å; V173-Y177 HydrophobicContact CG1-CD2 3.9Å; V173-Y177 HydrophobicContact CG1-CE2 3.89Å; V173-Y177 VanDerWaalsContact O-CD2 3.26Å; V173-Y177 WeakPolarHBondContact O-CD2 3.5Å; V173-Y177 PolarHBondContact O-N 3.45Å; V173-Y177 VanDerWaalsContact O-N 3.16Å; V173-F327 HydrophobicContact CG1-CE2 3.83Å; V173-F327 HydrophobicContact CG1-CZ 3.85Å
174L96.9Very high94.8Very high2 Ų214.4 Ų14.41%0.017%0.07CC..Hα-helixtrans-62.1-39.8178.8-91.557.6000111.8L146 L157 L170 N176 Y177 D178 L179 P182 F327L146-L174 HydrophobicContact CD2-CD1 4.17Å; L157-L174 HydrophobicContact CD1-CD2 3.66Å; L170-L174 HydrophobicContact CD1-CD1 3.63Å; L170-L174 HydrophobicContact CG-CD1 4.2Å; L170-L174 WeakPolarHBondContact O-CD1 3.41Å; L170-L174 PolarHBondContact O-N 2.9Å; L174-N176 VanDerWaalsContact C-N 3.34Å; L174-N176 PolarHBondContact O-N 2.87Å; L174-Y177 PolarHBondContact O-N 2.86Å; L174-D178 PolarHBondContact O-N 3.48Å; L174-L179 HydrophobicContact CB-CB 4.1Å; L174-L179 HydrophobicContact CG-CB 3.97Å; L174-L179 HydrophobicContact CG-CD1 4.29Å; L174-L179 PolarHBondContact O-N 3.46Å; L174-P182 HydrophobicContact CD2-CG 4.4Å; L174-F327 HydrophobicContact CD1-CE1 3.88Å; L174-F327 HydrophobicContact CD1-CZ 3.77Å
175Y96.4Very high95.2Very high3 Ų312.9 Ų12.91%0.0127%0.067CC..Hα-helixtrans-63.9-38.6173.6-172.8-98.9000112.3F49 A50 K52 Y54 I118 A122 S171 F172 V173 Y177 D178 V181F49-Y175 HydrophobicContact CE1-CD1 4.06Å; F49-Y175 HydrophobicContact CE1-CE1 4.18Å; F49-Y175 HydrophobicContact CE2-CD1 4.34Å; F49-Y175 HydrophobicContact CE2-CE1 4.45Å; F49-Y175 AromaticContact CZ-CD1 3.73Å; F49-Y175 HydrophobicContact CZ-CD1 3.73Å; F49-Y175 HydrophobicContact CZ-CE1 4.09Å; A50-Y175 PolarHBondContact O-OH 3.22Å; K52-Y175 WeakPolarHBondContact CE-O 3.32Å; K52-Y175 HydrophobicContact CG-CE1 4.46Å; K52-Y175 PolarHBondContact NZ-O 3.2Å; Y54-Y175 HydrophobicContact CD1-CE2 4.16Å; Y54-Y175 AromaticContact CD2-CD2 3.82Å; Y54-Y175 HydrophobicContact CD2-CD2 3.82Å; Y54-Y175 AromaticContact CD2-CE2 3.65Å; Y54-Y175 HydrophobicContact CD2-CE2 3.65Å; Y54-Y175 AromaticContact CE2-CD2 3.76Å; Y54-Y175 HydrophobicContact CE2-CD2 3.76Å; Y54-Y175 HydrophobicContact CE2-CE2 4.06Å; Y54-Y175 HydrophobicContact CG-CD2 4.26Å; Y54-Y175 AromaticContact CG-CE2 3.69Å; Y54-Y175 HydrophobicContact CG-CE2 3.69Å; I118-Y175 HydrophobicContact CG2-CD2 3.66Å; I118-Y175 HydrophobicContact CG2-CE2 3.93Å; I118-Y175 HydrophobicContact CG2-CG 4.44Å; A122-Y175 HydrophobicContact CB-CD1 3.54Å; A122-Y175 HydrophobicContact CB-CE1 3.43Å; A122-Y175 VanDerWaalsContact CB-CE1 3.43Å; A122-Y175 HydrophobicContact CB-CG 4.32Å; S171-Y175 WeakPolarHBondContact O-CB 3.28Å; S171-Y175 PolarHBondContact O-N 3.3Å; F172-Y175 PolarHBondContact O-N 3.14Å; V173-Y175 VanDerWaalsContact C-N 3.31Å; V173-Y175 PolarHBondContact O-N 2.98Å; Y175-Y177 VanDerWaalsContact C-N 3.32Å; Y175-Y177 PolarHBondContact O-N 3.32Å; Y175-D178 PolarHBondContact O-N 2.82Å; Y175-V181 HydrophobicContact CD2-CG2 4.35Å
176N95.4Very high95.2Very high16 Ų1612.4 Ų12.49%0.0867%0.066CC..Hα-helixtrans-57.4-45.3176.9-173.774.5000111.6I37 F49 K52 F172 V173 L174 D178I37-N176 HydrophobicContact CD1-CB 4.46Å; F49-N176 HydrophobicContact CE2-CB 4.43Å; F49-N176 HydrophobicContact CZ-CB 4.4Å; K52-N176 PolarHBondContact NZ-O 2.99Å; F172-N176 PolarHBondContact O-N 3.27Å; V173-N176 VanDerWaalsContact O-CB 3.32Å; V173-N176 WeakPolarHBondContact O-CB 3.44Å; V173-N176 PolarHBondContact O-N 3.25Å; V173-N176 VanDerWaalsContact O-N 3.07Å; L174-N176 VanDerWaalsContact C-N 3.34Å; L174-N176 PolarHBondContact O-N 2.87Å; N176-D178 VanDerWaalsContact C-N 3.33Å; N176-D178 PolarHBondContact O-N 2.91Å
177Y95Very high94.7Very high48 Ų4813.6 Ų13.619%0.1888%0.079CC..THydrogen-bonded Turntrans-88.313-179.3-66.8-74.4000115E35 I37 V138 I143 V173 L174 Y175 L179E35-Y177 PolarHBondContact OE2-OH 3.19Å; I37-Y177 HydrophobicContact CG2-CE2 3.91Å; I37-Y177 VanDerWaalsContact CG2-OH 3.24Å; I37-Y177 WeakPolarHBondContact CG2-OH 3.41Å; V138-Y177 HydrophobicContact CB-CE2 4.26Å; V138-Y177 HydrophobicContact CG1-CE2 4.03Å; V138-Y177 HydrophobicContact CG2-CE2 4.45Å; I143-Y177 HydrophobicContact CD1-CD2 3.8Å; I143-Y177 HydrophobicContact CD1-CE2 3.97Å; I143-Y177 HydrophobicContact CD1-CG 4.47Å; I143-Y177 HydrophobicContact CG1-CD2 4.01Å; I143-Y177 HydrophobicContact CG1-CE2 3.84Å; I143-Y177 HydrophobicContact CG1-CG 4.48Å; I143-Y177 HydrophobicContact CG2-CD1 3.84Å; I143-Y177 HydrophobicContact CG2-CD2 4.1Å; I143-Y177 HydrophobicContact CG2-CE1 4.28Å; I143-Y177 HydrophobicContact CG2-CG 3.73Å; V173-Y177 HydrophobicContact CG1-CD2 3.9Å; V173-Y177 HydrophobicContact CG1-CE2 3.89Å; V173-Y177 VanDerWaalsContact O-CD2 3.26Å; V173-Y177 WeakPolarHBondContact O-CD2 3.5Å; V173-Y177 PolarHBondContact O-N 3.45Å; V173-Y177 VanDerWaalsContact O-N 3.16Å; L174-Y177 PolarHBondContact O-N 2.86Å; Y175-Y177 VanDerWaalsContact C-N 3.32Å; Y175-Y177 PolarHBondContact O-N 3.32Å; Y177-L179 PolarHBondContact O-N 3.15Å
178D94.2Very high94Very high62 Ų6215.4 Ų15.433%0.3329%0.088SC..THydrogen-bonded Turntrans56.333.1-179.1-67.3-60.4000113.6K52 P56 L174 Y175 N176K52-D178 WeakPolarHBondContact CE-OD1 3.45Å; K52-D178 IonicContact NZ-OD1 2.66Å; K52-D178 PolarHBondContact NZ-OD1 3.22Å; K52-D178 IonicContact NZ-OD2 3.21Å; K52-D178 PolarHBondContact NZ-OD2 3.29Å; P56-D178 VanDerWaalsContact CA-O 3.25Å; P56-D178 WeakPolarHBondContact CA-O 3.31Å; P56-D178 VanDerWaalsContact CB-O 3.25Å; P56-D178 WeakPolarHBondContact CB-O 3.42Å; L174-D178 PolarHBondContact O-N 3.48Å; Y175-D178 PolarHBondContact O-N 2.82Å; N176-D178 VanDerWaalsContact C-N 3.33Å; N176-D178 PolarHBondContact O-N 2.91Å
179L94.4Very high92.9Very high6 Ų617.3 Ų17.33%0.03110%0.098CC..PPolyproline II helixtrans-91.8155.9171.8-65.5177.6000110.9Y54 I143 L146 Q147 L174 Y177 V181Y54-L179 PolarHBondContact OH-O 2.99Å; I143-L179 HydrophobicContact CG2-CD1 4.34Å; L146-L179 HydrophobicContact CD2-CD1 3.72Å; L146-L179 HydrophobicContact CG-CD1 4.07Å; Q147-L179 HydrophobicContact CB-CD2 3.91Å; Q147-L179 HydrophobicContact CG-CD2 3.91Å; L174-L179 HydrophobicContact CB-CB 4.1Å; L174-L179 HydrophobicContact CG-CB 3.97Å; L174-L179 HydrophobicContact CG-CD1 4.29Å; L174-L179 PolarHBondContact O-N 3.46Å; Y177-L179 PolarHBondContact O-N 3.15Å; L179-V181 PolarHBondContact O-N 3.4Å; L179-V181 VanDerWaalsContact O-N 3.13Å
180P93.1Very high91.5Very high5 Ų519.1 Ų19.13%0.03211%0.106CC..PPolyproline II helixtrans-65.1117179.2-13.126000110.9Y54 P56 T57 L58 V150 P236Y54-P180 WeakPolarHBondContact OH-CA 3.45Å; P56-P180 HydrophobicContact CB-CB 4.29Å; P56-P180 HydrophobicContact CB-CG 3.9Å; P56-P180 HydrophobicContact CG-CB 4.4Å; P56-P180 HydrophobicContact CG-CG 4.41Å; T57-P180 WeakPolarHBondContact O-CG 3.37Å; L58-P180 HydrophobicContact CD2-CB 4.03Å; L58-P180 HydrophobicContact CD2-CG 3.65Å; V150-P180 HydrophobicContact CG1-CG 4.19Å; P180-P236 WeakPolarHBondContact O-CD 3.39Å
181V95.1Very high89.9Confident6 Ų621.3 Ų21.34%0.03612%0.118CC..PPolyproline II helixtrans-53.5132.7171.5172.50000110.3Y54 I118 Y175 L179Y54-V181 PolarHBondContact OH-N 3.25Å; I118-V181 HydrophobicContact CD1-CB 4.35Å; I118-V181 HydrophobicContact CG2-CG2 3.93Å; Y175-V181 HydrophobicContact CD2-CG2 4.35Å; L179-V181 PolarHBondContact O-N 3.4Å; L179-V181 VanDerWaalsContact O-N 3.13Å
182P95.6Very high88.4Confident0 Ų024 Ų240%015%0.148CC..PPolyproline II helixtrans-74.6160.2-172.229.8-34.1000112.5L157 L174 I184 P236 E238L157-P182 HydrophobicContact CD1-CB 3.96Å; L157-P182 HydrophobicContact CD1-CG 4.2Å; L174-P182 HydrophobicContact CD2-CG 4.4Å; P182-I184 HydrophobicContact CG-CG1 4.2Å; P182-P236 CarbonylContact C-O 3.57Å; P182-P236 VanDerWaalsContact CA-O 3.27Å; P182-P236 WeakPolarHBondContact CA-O 3.48Å; P182-P236 HydrophobicContact CB-CB 4.27Å; P182-P236 WeakPolarHBondContact CB-O 3.1Å; P182-E238 HydrophobicContact CB-CB 3.85Å; P182-E238 HydrophobicContact CG-CB 4.18Å; P182-E238 WeakPolarHBondContact CG-OE2 3.32Å
183V95.8Very high87.5Confident0 Ų025.7 Ų25.70%016%0.156CC..EExtended strand (participates in β ladder)trans-90.3131.4159.2-63.10000109.6G204 F206 M229 A235 P236 V237 E238V183-G204 CarbonylContact C-O 3.53Å; V183-G204 VanDerWaalsContact CA-O 3.23Å; V183-G204 WeakPolarHBondContact CA-O 3.2Å; V183-G204 WeakPolarHBondContact CB-O 3.33Å; V183-F206 HydrophobicContact CB-CD1 4.15Å; V183-F206 HydrophobicContact CB-CE1 4.28Å; V183-F206 HydrophobicContact CG2-CD1 4.39Å; V183-F206 HydrophobicContact CG2-CE1 4.12Å; V183-M229 HydrophobicContact CB-CE 4.25Å; V183-M229 HydrophobicContact CG1-CE 3.74Å; V183-M229 HydrophobicContact CG2-CE 3.56Å; V183-M229 HydrophobicContact CG2-CG 4.3Å; V183-M229 HydrophobicContact CG2-SD 4.49Å; V183-A235 HydrophobicContact CG1-CB 4.32Å; V183-P236 PolarHBondContact N-O 3.43Å; V183-V237 HydrophobicContact CG2-CB 4.47Å; V183-V237 HydrophobicContact CG2-CG2 3.95Å; V183-E238 PolarHBondContact O-N 3.36Å
184I95.8Very high86.7Confident11 Ų1134.6 Ų34.66%0.05620%0.195CC..EExtended strand (participates in β ladder)trans-115.4125.9-162.1-51.4168000109.5F167 P182 A186 G204 A205 F206 E238F167-I184 HydrophobicContact CB-CD1 4.27Å; F167-I184 HydrophobicContact CB-CG2 4.05Å; F167-I184 HydrophobicContact CD2-CD1 4.09Å; P182-I184 HydrophobicContact CG-CG1 4.2Å; I184-A186 PolarHBondContact O-N 3.34Å; I184-G204 PolarHBondContact N-O 3Å; I184-A205 WeakPolarHBondContact O-CA 3.36Å; I184-F206 VanDerWaalsContact O-CD1 3.24Å; I184-F206 WeakPolarHBondContact O-CD1 3.29Å; I184-F206 PolarHBondContact O-N 3.18Å; I184-E238 HydrophobicContact CG1-CB 4.28Å
185A94.8Very high86.1Confident12 Ų1241 Ų4110%0.09923%0.228CC..EExtended strand (participates in β ladder)trans-72.2108.3170.800000109.9F206 E238 F239 L258A185-F206 HydrophobicContact CB-CE1 4.2Å; A185-F206 HydrophobicContact CB-CE2 3.75Å; A185-F206 HydrophobicContact CB-CZ 3.51Å; A185-E238 PolarHBondContact N-O 2.97Å; A185-F239 HydrophobicContact CB-CB 3.78Å; A185-L258 HydrophobicContact CB-CD1 3.76Å
186A89.9Confident85.6Confident12 Ų1243.2 Ų43.210%0.09924%0.242CC..EExtended strand (participates in β ladder)trans-111.9143.3-177.600000111.9I184 F190 A205 F206 F207 M208I184-A186 PolarHBondContact O-N 3.34Å; A186-F190 HydrophobicContact CB-CD2 4.38Å; A186-A205 HydrophobicContact CB-CB 4.17Å; A186-F206 PolarHBondContact N-O 3.06Å; A186-F207 HydrophobicContact CB-CD1 3.87Å; A186-F207 HydrophobicContact CB-CE1 3.9Å; A186-F207 CarbonylContact O-C 3.6Å; A186-F207 VanDerWaalsContact O-CA 3.29Å; A186-F207 WeakPolarHBondContact O-CA 3.37Å; A186-M208 PolarHBondContact O-N 3.2Å
187G84.5Confident85.3Confident25 Ų2542.4 Ų42.426%0.25824%0.238SC..EExtended strand (participates in β ladder)trans-69.7148.2171.400000111.9D189 F190G187-D189 PolarHBondContact O-N 2.93Å; G187-F190 VanDerWaalsContact O-CD2 3.31Å; G187-F190 WeakPolarHBondContact O-CD2 3.45Å
188M78.3Confident85.1Confident61 Ų6142.8 Ų42.830%0.324%0.242SC..G310 helixtrans-62.1-10.8178.4-68.1-160.5-42.900115.5F190 L191 F207 M208 R209M188-F190 PolarHBondContact O-N 3.38Å; M188-F190 VanDerWaalsContact O-N 3.13Å; M188-L191 HydrophobicContact CB-CD1 4.21Å; M188-L191 HydrophobicContact CG-CD1 4.16Å; M188-L191 VanDerWaalsContact O-CB 3.28Å; M188-L191 WeakPolarHBondContact O-CB 3.4Å; M188-L191 PolarHBondContact O-N 2.95Å; M188-L191 HydrophobicContact SD-CD1 4.44Å; M188-F207 HydrophobicContact CG-CB 4.44Å; M188-M208 WeakPolarHBondContact CG-O 3.35Å; M188-M208 PolarHBondContact N-O 3.3Å; M188-M208 VanDerWaalsContact N-O 3.16Å; M188-R209 HydrophobicContact CE-CB 4.3Å; M188-R209 HydrophobicContact CE-CG 3.64Å; M188-R209 HydrophobicContact CG-CG 4.28Å; M188-R209 HydrophobicContact SD-CB 4.32Å; M188-R209 HydrophobicContact SD-CG 3.36Å; M188-R209 WeakPolarHBondContact SD-CG 3.29Å
189D71.4Confident85Confident73 Ų7342 Ų4239%0.3924%0.237SC..G310 helixtrans-56.7-32.3-178.3-60.2-44.7000112.3G187 L191 G192 R210G187-D189 PolarHBondContact O-N 2.93Å; D189-L191 VanDerWaalsContact C-N 3.27Å; D189-L191 PolarHBondContact O-N 3.3Å; D189-G192 PolarHBondContact O-N 3.45Å; D189-R210 IonicContact OD1-CZ 3.71Å; D189-R210 IonicContact OD1-NE 3Å; D189-R210 PolarHBondContact OD1-NE 3.01Å; D189-R210 VanDerWaalsContact OD1-NE 3.14Å; D189-R210 IonicContact OD1-NH2 3.79Å; D189-R210 PolarHBondContact OD1-NH2 2.76Å; D189-R210 IonicContact OD2-CZ 2.72Å; D189-R210 IonicContact OD2-NE 3.76Å; D189-R210 PolarHBondContact OD2-NE 3.18Å; D189-R210 IonicContact OD2-NH2 2.8Å; D189-R210 PolarHBondContact OD2-NH2 2.89Å
190F67.5Low84.9Confident38 Ų3842.3 Ų42.317%0.16724%0.239CC..G310 helixtrans-69.8-19.9177.3-59.1-69.5000113.6F167 A186 G187 M188 G192 M193 L200 F207F167-F190 HydrophobicContact CE1-CZ 4.37Å; A186-F190 HydrophobicContact CB-CD2 4.38Å; G187-F190 VanDerWaalsContact O-CD2 3.31Å; G187-F190 WeakPolarHBondContact O-CD2 3.45Å; M188-F190 PolarHBondContact O-N 3.38Å; M188-F190 VanDerWaalsContact O-N 3.13Å; F190-G192 PolarHBondContact O-N 3.26Å; F190-M193 PolarHBondContact O-N 2.89Å; F190-M193 VanDerWaalsContact O-N 3.15Å; F190-L200 HydrophobicContact CB-CD1 4.28Å; F190-L200 HydrophobicContact CD1-CD1 4.39Å; F190-L200 HydrophobicContact CG-CD1 4.32Å; F190-F207 HydrophobicContact CB-CE1 4.02Å
191L63.8Low84.9Confident48 Ų4843.5 Ų43.525%0.25124%0.242SC..G310 helixtrans-67.9-20.2175.2-67.3176.4000112.4M188 D189 M193 F207M188-L191 HydrophobicContact CB-CD1 4.21Å; M188-L191 HydrophobicContact CG-CD1 4.16Å; M188-L191 VanDerWaalsContact O-CB 3.28Å; M188-L191 WeakPolarHBondContact O-CB 3.4Å; M188-L191 PolarHBondContact O-N 2.95Å; M188-L191 HydrophobicContact SD-CD1 4.44Å; D189-L191 VanDerWaalsContact C-N 3.27Å; D189-L191 PolarHBondContact O-N 3.3Å; L191-M193 PolarHBondContact O-N 3.45Å; L191-F207 HydrophobicContact CD1-CB 4.25Å; L191-F207 HydrophobicContact CD1-CD2 4.48Å; L191-F207 HydrophobicContact CD1-CG 4.17Å; L191-F207 HydrophobicContact CD2-CD1 4.26Å; L191-F207 HydrophobicContact CD2-CD2 3.73Å; L191-F207 HydrophobicContact CD2-CE1 4.2Å; L191-F207 HydrophobicContact CD2-CE2 3.64Å; L191-F207 HydrophobicContact CD2-CG 4.03Å; L191-F207 HydrophobicContact CD2-CZ 3.89Å; L191-F207 HydrophobicContact CG-CD1 4.05Å; L191-F207 HydrophobicContact CG-CD2 4.26Å; L191-F207 HydrophobicContact CG-CE1 4.28Å; L191-F207 HydrophobicContact CG-CE2 4.45Å; L191-F207 HydrophobicContact CG-CG 4.04Å; L191-F207 HydrophobicContact CG-CZ 4.47Å
192G65.3Low84.9Confident71 Ų7144.9 Ų44.973%0.73225%0.249SC*.G310 helixtrans-59.3-26.8171.700000112.7D189 F190D189-G192 PolarHBondContact O-N 3.45Å; F190-G192 PolarHBondContact O-N 3.26Å
193M76.8Confident84.8Confident41 Ų4145.5 Ų45.520%0.20225%0.253CS..SBendtrans-101.775.6176.5-63.4175.166.600110.6F190 L191 L195 V196 G197 E304 L309F190-M193 PolarHBondContact O-N 2.89Å; F190-M193 VanDerWaalsContact O-N 3.15Å; L191-M193 PolarHBondContact O-N 3.45Å; M193-L195 VanDerWaalsContact C-N 3.28Å; M193-L195 PolarHBondContact O-N 3.34Å; M193-V196 HydrophobicContact CB-CB 4.07Å; M193-V196 HydrophobicContact CE-CB 4.14Å; M193-V196 HydrophobicContact CE-CG2 3.73Å; M193-V196 PolarHBondContact O-N 3.38Å; M193-G197 PolarHBondContact O-N 3.4Å; M193-E304 HydrophobicContact SD-CB 4.2Å; M193-L309 HydrophobicContact CE-CD1 4.13Å
194K80.8Confident84.6Confident187 Ų18745.5 Ų45.581%0.81325%0.253SS*.Hα-helixtrans-40.3-47.9-170.9-67.6-175.7179.1-179.30115.5E198K194-E198 WeakPolarHBondContact O-CB 3.37Å; K194-E198 PolarHBondContact O-N 2.86Å
195L84.9Confident84.6Confident135 Ų13545.2 Ų45.271%0.70725%0.253SS*.Hα-helixtrans-67.5-48.9-179.6-177.866.7000112.4M193 E198 L199M193-L195 VanDerWaalsContact C-N 3.28Å; M193-L195 PolarHBondContact O-N 3.34Å; L195-E198 PolarHBondContact O-N 2.77Å; L195-L199 HydrophobicContact CG-CD1 4.49Å; L195-L199 WeakPolarHBondContact O-CG 3.44Å; L195-L199 PolarHBondContact O-N 3.43Å
196V85.1Confident84.6Confident50 Ų5044.7 Ų44.730%0.30325%0.248SC..Hα-helixtrans-68-43.3-179.8176.70000110.3M193 E198 L199 L200M193-V196 HydrophobicContact CB-CB 4.07Å; M193-V196 HydrophobicContact CE-CB 4.14Å; M193-V196 HydrophobicContact CE-CG2 3.73Å; M193-V196 PolarHBondContact O-N 3.38Å; V196-E198 PolarHBondContact O-N 2.84Å; V196-L199 PolarHBondContact O-N 3.39Å; V196-L200 HydrophobicContact CG1-CD1 4.05Å; V196-L200 HydrophobicContact CG1-CG 4.31Å; V196-L200 WeakPolarHBondContact O-CB 3.41Å; V196-L200 VanDerWaalsContact O-CG 3.28Å; V196-L200 WeakPolarHBondContact O-CG 3.29Å; V196-L200 PolarHBondContact O-N 3.47Å
197G88.5Confident84.7Confident0 Ų044.2 Ų44.20%024%0.244CC..Hα-helixtrans-58.5-42.8175.600000112.8M193 L200 R201M193-G197 PolarHBondContact O-N 3.4Å; G197-L200 PolarHBondContact O-N 2.92Å; G197-R201 WeakPolarHBondContact O-CB 3.37Å; G197-R201 PolarHBondContact O-N 3.27Å
198E91.6Very high85Confident56 Ų5645.2 Ų45.226%0.26224%0.242SC..Hα-helixtrans-70-38.4176.2-174.166-17400112.2K112 K194 L195 V196 R201 M202K112-E198 WeakPolarHBondContact CD-OE1 3.24Å; K112-E198 IonicContact NZ-OE1 2.71Å; K112-E198 PolarHBondContact NZ-OE1 3.22Å; K112-E198 IonicContact NZ-OE2 3.33Å; K112-E198 PolarHBondContact NZ-OE2 3.05Å; K194-E198 WeakPolarHBondContact O-CB 3.37Å; K194-E198 PolarHBondContact O-N 2.86Å; L195-E198 PolarHBondContact O-N 2.77Å; V196-E198 PolarHBondContact O-N 2.84Å; E198-R201 WeakPolarHBondContact O-CB 3.44Å; E198-R201 PolarHBondContact O-N 3.03Å; E198-R201 IonicContact OE2-CZ 2.83Å; E198-R201 IonicContact OE2-NH1 2.85Å; E198-R201 PolarHBondContact OE2-NH1 2.82Å; E198-M202 HydrophobicContact CG-SD 4.25Å; E198-M202 WeakPolarHBondContact O-CB 3.24Å; E198-M202 VanDerWaalsContact O-CG 3.27Å; E198-M202 WeakPolarHBondContact O-CG 3.27Å; E198-M202 PolarHBondContact O-N 3.13Å
199L91.6Very high85.3Confident44 Ų4445.6 Ų45.623%0.2324%0.241CC..Hα-helixtrans-62-42.6173.3-78.5173.4000112.1F120 F121 L195 V196 R201 M202 S203F120-L199 HydrophobicContact CE1-CD1 4.22Å; F121-L199 HydrophobicContact CE2-CB 4.03Å; F121-L199 HydrophobicContact CZ-CB 4.13Å; L195-L199 HydrophobicContact CG-CD1 4.49Å; L195-L199 WeakPolarHBondContact O-CG 3.44Å; L195-L199 PolarHBondContact O-N 3.43Å; V196-L199 PolarHBondContact O-N 3.39Å; L199-R201 VanDerWaalsContact C-N 3.35Å; L199-M202 PolarHBondContact O-N 2.99Å; L199-S203 WeakPolarHBondContact O-CB 3.32Å; L199-S203 PolarHBondContact O-N 2.9Å; L199-S203 VanDerWaalsContact O-N 3.11Å; L199-S203 PolarHBondContact O-OG 3.28Å
200L92.6Very high85.4Confident14 Ų1450.8 Ų50.87%0.07326%0.255CS..Hα-helixtrans-62.4-43.2173.9-71.1175.4000111F121 F167 L168 F190 V196 G197 M202 S203 G204 A205F121-L200 HydrophobicContact CZ-CD2 3.99Å; F167-L200 HydrophobicContact CE2-CD2 3.82Å; F167-L200 HydrophobicContact CZ-CD2 4.43Å; L168-L200 HydrophobicContact CD2-CD2 4.08Å; F190-L200 HydrophobicContact CB-CD1 4.28Å; F190-L200 HydrophobicContact CD1-CD1 4.39Å; F190-L200 HydrophobicContact CG-CD1 4.32Å; V196-L200 HydrophobicContact CG1-CD1 4.05Å; V196-L200 HydrophobicContact CG1-CG 4.31Å; V196-L200 WeakPolarHBondContact O-CB 3.41Å; V196-L200 VanDerWaalsContact O-CG 3.28Å; V196-L200 WeakPolarHBondContact O-CG 3.29Å; V196-L200 PolarHBondContact O-N 3.47Å; G197-L200 PolarHBondContact O-N 2.92Å; L200-M202 VanDerWaalsContact C-N 3.28Å; L200-M202 PolarHBondContact O-N 2.69Å; L200-S203 CarbonylContact O-C 3.47Å; L200-S203 WeakPolarHBondContact O-CA 3.43Å; L200-S203 PolarHBondContact O-N 3.42Å; L200-G204 PolarHBondContact O-N 3.2Å; L200-A205 HydrophobicContact CB-CB 3.97Å; L200-A205 VanDerWaalsContact O-CB 3.31Å; L200-A205 WeakPolarHBondContact O-CB 3.4Å; L200-A205 PolarHBondContact O-N 3.17Å
201R93.3Very high85.6Confident29 Ų2954.4 Ų54.411%0.10928%0.28CS..Hα-helixtrans-58.2-42.9174.2-165.7-178.4-84.7138.6-9.9111.5E108 S110 K112 G197 E198 L199 S203 G204 F207E108-R201 PolarHBondContact O-NH2 2.79Å; S110-R201 VanDerWaalsContact O-CD 3.28Å; S110-R201 WeakPolarHBondContact O-CD 3.45Å; S110-R201 VanDerWaalsContact O-CG 3.32Å; S110-R201 WeakPolarHBondContact O-CG 2.87Å; S110-R201 PolarHBondContact O-NE 3.4Å; K112-R201 HydrophobicContact CB-CG 4.09Å; K112-R201 HydrophobicContact CD-CG 4.18Å; K112-R201 HydrophobicContact CG-CG 3.98Å; K112-R201 PolarHBondContact N-O 2.98Å; G197-R201 WeakPolarHBondContact O-CB 3.37Å; G197-R201 PolarHBondContact O-N 3.27Å; E198-R201 WeakPolarHBondContact O-CB 3.44Å; E198-R201 PolarHBondContact O-N 3.03Å; E198-R201 IonicContact OE2-CZ 2.83Å; E198-R201 IonicContact OE2-NH1 2.85Å; E198-R201 PolarHBondContact OE2-NH1 2.82Å; L199-R201 VanDerWaalsContact C-N 3.35Å; R201-S203 PolarHBondContact O-N 2.95Å; R201-G204 PolarHBondContact O-N 2.85Å; R201-F207 HydrophobicContact CB-CE2 4.03Å; R201-F207 HydrophobicContact CG-CE2 4.31Å
202M94.4Very high85.9Confident35 Ų3554.9 Ų54.917%0.17228%0.28CS..Hα-helixtrans-67.3-14.2176.4-70.3169.766.400113.4K112 L113 R114 A117 E198 L199 L200K112-M202 HydrophobicContact CB-CG 4.4Å; K112-M202 VanDerWaalsContact O-CA 3.28Å; K112-M202 WeakPolarHBondContact O-CA 3.42Å; L113-M202 CarbonylContact C-O 3.59Å; L113-M202 WeakPolarHBondContact CA-O 3.26Å; R114-M202 HydrophobicContact CB-CE 4.39Å; R114-M202 VanDerWaalsContact CD-CE 3.41Å; R114-M202 PolarHBondContact N-O 3.32Å; A117-M202 HydrophobicContact CB-CB 3.53Å; A117-M202 HydrophobicContact CB-CE 4.14Å; E198-M202 HydrophobicContact CG-SD 4.25Å; E198-M202 WeakPolarHBondContact O-CB 3.24Å; E198-M202 VanDerWaalsContact O-CG 3.27Å; E198-M202 WeakPolarHBondContact O-CG 3.27Å; E198-M202 PolarHBondContact O-N 3.13Å; L199-M202 PolarHBondContact O-N 2.99Å; L200-M202 VanDerWaalsContact C-N 3.28Å; L200-M202 PolarHBondContact O-N 2.69Å
203S93.3Very high85.8Confident14 Ų1455.1 Ų55.110%0.09828%0.282CS..THydrogen-bonded Turntrans-109.16.9-177.8-50.40000113.3F121 L199 L200 R201F121-S203 WeakPolarHBondContact CD2-OG 3.43Å; F121-S203 WeakPolarHBondContact CE2-OG 3.37Å; L199-S203 WeakPolarHBondContact O-CB 3.32Å; L199-S203 PolarHBondContact O-N 2.9Å; L199-S203 VanDerWaalsContact O-N 3.11Å; L199-S203 PolarHBondContact O-OG 3.28Å; L200-S203 CarbonylContact O-C 3.47Å; L200-S203 WeakPolarHBondContact O-CA 3.43Å; L200-S203 PolarHBondContact O-N 3.42Å; R201-S203 PolarHBondContact O-N 2.95Å
204G93Very high85.8Confident0 Ų056.6 Ų56.60%031%0.308CS..THydrogen-bonded Turntrans118.5-6.6173.300000115.1V183 I184 L200 R201 F206V183-G204 CarbonylContact C-O 3.53Å; V183-G204 VanDerWaalsContact CA-O 3.23Å; V183-G204 WeakPolarHBondContact CA-O 3.2Å; V183-G204 WeakPolarHBondContact CB-O 3.33Å; I184-G204 PolarHBondContact N-O 3Å; L200-G204 PolarHBondContact O-N 3.2Å; R201-G204 PolarHBondContact O-N 2.85Å; G204-F206 PolarHBondContact O-N 3.47Å
205A94.9Very high86.2Confident5 Ų550 Ų504%0.04128%0.282CS..EExtended strand (participates in β ladder)trans-69.2128.3179.100000111.9H111 I184 A186 L200 F207H111-A205 WeakPolarHBondContact CA-O 3.46Å; H111-A205 VanDerWaalsContact CB-O 3.31Å; H111-A205 WeakPolarHBondContact CB-O 3.48Å; I184-A205 WeakPolarHBondContact O-CA 3.36Å; A186-A205 HydrophobicContact CB-CB 4.17Å; L200-A205 HydrophobicContact CB-CB 3.97Å; L200-A205 VanDerWaalsContact O-CB 3.31Å; L200-A205 WeakPolarHBondContact O-CB 3.4Å; L200-A205 PolarHBondContact O-N 3.17Å; A205-F207 HydrophobicContact CB-CZ 4.24Å
206F94.9Very high86.5Confident1 Ų148.8 Ų48.80%0.00427%0.271CS..EExtended strand (participates in β ladder)trans-114.6137.516566.2-89.4000109.5M109 H111 V183 I184 A185 A186 G204 F222 Y225 V226 V237M109-F206 CarbonylContact O-C 3.52Å; M109-F206 WeakPolarHBondContact O-CA 3.34Å; M109-F206 VanDerWaalsContact O-CB 3.24Å; M109-F206 WeakPolarHBondContact O-CB 3.47Å; H111-F206 HydrophobicContact CB-CB 4.31Å; V183-F206 HydrophobicContact CB-CD1 4.15Å; V183-F206 HydrophobicContact CB-CE1 4.28Å; V183-F206 HydrophobicContact CG2-CD1 4.39Å; V183-F206 HydrophobicContact CG2-CE1 4.12Å; I184-F206 VanDerWaalsContact O-CD1 3.24Å; I184-F206 WeakPolarHBondContact O-CD1 3.29Å; I184-F206 PolarHBondContact O-N 3.18Å; A185-F206 HydrophobicContact CB-CE1 4.2Å; A185-F206 HydrophobicContact CB-CE2 3.75Å; A185-F206 HydrophobicContact CB-CZ 3.51Å; A186-F206 PolarHBondContact N-O 3.06Å; G204-F206 PolarHBondContact O-N 3.47Å; F206-F222 HydrophobicContact CD2-CE2 4.1Å; F206-F222 HydrophobicContact CD2-CZ 4.47Å; F206-F222 HydrophobicContact CE2-CE2 4.08Å; F206-F222 AromaticContact CE2-CZ 3.98Å; F206-F222 HydrophobicContact CE2-CZ 3.98Å; F206-Y225 HydrophobicContact CB-CE1 3.82Å; F206-Y225 HydrophobicContact CD1-CE1 4.39Å; F206-Y225 HydrophobicContact CD2-CD1 4.49Å; F206-Y225 HydrophobicContact CD2-CE1 4.24Å; F206-Y225 AromaticContact CG-CE1 3.92Å; F206-Y225 HydrophobicContact CG-CE1 3.92Å; F206-V226 HydrophobicContact CE2-CG2 3.84Å; F206-V226 HydrophobicContact CZ-CG2 4.13Å; F206-V237 HydrophobicContact CE1-CG1 4.49Å; F206-V237 HydrophobicContact CZ-CG1 4.42Å
207F92.3Very high86.9Confident2 Ų246.5 Ų46.51%0.00926%0.257CS..EExtended strand (participates in β ladder)trans-98.1133-166.5-64-78000112.9M109 A186 M188 F190 L191 R201 A205M109-F207 VanDerWaalsContact CB-O 3.31Å; M109-F207 WeakPolarHBondContact CB-O 3.15Å; M109-F207 PolarHBondContact O-N 3.35Å; A186-F207 HydrophobicContact CB-CD1 3.87Å; A186-F207 HydrophobicContact CB-CE1 3.9Å; A186-F207 CarbonylContact O-C 3.6Å; A186-F207 VanDerWaalsContact O-CA 3.29Å; A186-F207 WeakPolarHBondContact O-CA 3.37Å; M188-F207 HydrophobicContact CG-CB 4.44Å; F190-F207 HydrophobicContact CB-CE1 4.02Å; L191-F207 HydrophobicContact CD1-CB 4.25Å; L191-F207 HydrophobicContact CD1-CD2 4.48Å; L191-F207 HydrophobicContact CD1-CG 4.17Å; L191-F207 HydrophobicContact CD2-CD1 4.26Å; L191-F207 HydrophobicContact CD2-CD2 3.73Å; L191-F207 HydrophobicContact CD2-CE1 4.2Å; L191-F207 HydrophobicContact CD2-CE2 3.64Å; L191-F207 HydrophobicContact CD2-CG 4.03Å; L191-F207 HydrophobicContact CD2-CZ 3.89Å; L191-F207 HydrophobicContact CG-CD1 4.05Å; L191-F207 HydrophobicContact CG-CD2 4.26Å; L191-F207 HydrophobicContact CG-CE1 4.28Å; L191-F207 HydrophobicContact CG-CE2 4.45Å; L191-F207 HydrophobicContact CG-CG 4.04Å; L191-F207 HydrophobicContact CG-CZ 4.47Å; R201-F207 HydrophobicContact CB-CE2 4.03Å; R201-F207 HydrophobicContact CG-CE2 4.31Å; A205-F207 HydrophobicContact CB-CZ 4.24Å
208M89.7Confident87.2Confident46 Ų4646.6 Ų46.623%0.22726%0.257CS..EExtended strand (participates in β ladder)trans-115.9139.2174.468.2174-75.300112.2A186 M188 F212 Y218 F222 L258A186-M208 PolarHBondContact O-N 3.2Å; M188-M208 WeakPolarHBondContact CG-O 3.35Å; M188-M208 PolarHBondContact N-O 3.3Å; M188-M208 VanDerWaalsContact N-O 3.16Å; M208-F212 HydrophobicContact CE-CE1 4.41Å; M208-F212 HydrophobicContact CE-CZ 3.84Å; M208-Y218 WeakPolarHBondContact CA-OH 3.38Å; M208-F222 HydrophobicContact CB-CD2 4.47Å; M208-F222 HydrophobicContact CB-CE2 3.56Å; M208-F222 HydrophobicContact CB-CZ 3.73Å; M208-L258 HydrophobicContact SD-CD1 3.9Å; M208-L258 HydrophobicContact SD-CG 4.48Å
209R86.4Confident87.2Confident69 Ų6948.6 Ų48.626%0.2626%0.262SS..  trans-67.3142.2172.4-71.1175.2-177.6-174.55.1110E108 M188 T211 F212 Y218E108-R209 IonicContact OE1-CZ 3.73Å; E108-R209 IonicContact OE1-NE 2.76Å; E108-R209 PolarHBondContact OE1-NE 3.17Å; E108-R209 IonicContact OE1-NH2 3.76Å; E108-R209 PolarHBondContact OE1-NH2 3.33Å; E108-R209 IonicContact OE2-CZ 3.8Å; E108-R209 IonicContact OE2-NH2 3.84Å; E108-R209 PolarHBondContact OE2-NH2 2.94Å; M188-R209 HydrophobicContact CE-CB 4.3Å; M188-R209 HydrophobicContact CE-CG 3.64Å; M188-R209 HydrophobicContact CG-CG 4.28Å; M188-R209 HydrophobicContact SD-CB 4.32Å; M188-R209 HydrophobicContact SD-CG 3.36Å; M188-R209 WeakPolarHBondContact SD-CG 3.29Å; R209-T211 VanDerWaalsContact C-N 3.26Å; R209-T211 PolarHBondContact O-N 3.2Å; R209-F212 HydrophobicContact CB-CD1 4.35Å; R209-F212 HydrophobicContact CB-CE1 4.5Å; R209-F212 WeakPolarHBondContact O-CE1 3.18Å; R209-Y218 HydrophobicContact CB-CE1 4.35Å; R209-Y218 VanDerWaalsContact CD-CE2 3.49Å; R209-Y218 HydrophobicContact CG-CE2 3.9Å; R209-Y218 PolarHBondContact N-OH 3.1Å
210R73.6Confident87.3Confident182 Ų18246.7 Ų46.769%0.68725%0.253SS*.SBendtrans-62.8-34.3176.9-73.2-175.4179.4178.3-3.2112.5D189D189-R210 IonicContact OD1-CZ 3.71Å; D189-R210 IonicContact OD1-NE 3Å; D189-R210 PolarHBondContact OD1-NE 3.01Å; D189-R210 VanDerWaalsContact OD1-NE 3.14Å; D189-R210 IonicContact OD1-NH2 3.79Å; D189-R210 PolarHBondContact OD1-NH2 2.76Å; D189-R210 IonicContact OD2-CZ 2.72Å; D189-R210 IonicContact OD2-NE 3.76Å; D189-R210 PolarHBondContact OD2-NE 3.18Å; D189-R210 IonicContact OD2-NH2 2.8Å; D189-R210 PolarHBondContact OD2-NH2 2.89Å
211T70Confident87.5Confident113 Ų11346.2 Ų46.269%0.69325%0.251SS*.  trans-133.3135174.8540000109.2R209 G213R209-T211 VanDerWaalsContact C-N 3.26Å; R209-T211 PolarHBondContact O-N 3.2Å; T211-G213 VanDerWaalsContact C-N 3.31Å
212F72Confident87.6Confident58 Ų5844.9 Ų44.925%0.25425%0.246SC..  trans-84.3-9.8177.5-53.2-48.4000112.5M208 R209 G214 N215 Y218 W219M208-F212 HydrophobicContact CE-CE1 4.41Å; M208-F212 HydrophobicContact CE-CZ 3.84Å; R209-F212 HydrophobicContact CB-CD1 4.35Å; R209-F212 HydrophobicContact CB-CE1 4.5Å; R209-F212 WeakPolarHBondContact O-CE1 3.18Å; F212-G214 PolarHBondContact O-N 3.02Å; F212-N215 VanDerWaalsContact O-CB 3.29Å; F212-N215 WeakPolarHBondContact O-CB 3.33Å; F212-N215 PolarHBondContact O-N 2.54Å; F212-Y218 AromaticContact CD1-CD1 3.55Å; F212-Y218 HydrophobicContact CD1-CD1 3.55Å; F212-Y218 AromaticContact CD1-CE1 3.24Å; F212-Y218 HydrophobicContact CD1-CE1 3.24Å; F212-Y218 HydrophobicContact CE1-CD1 4.15Å; F212-Y218 AromaticContact CE1-CE1 3.4Å; F212-Y218 HydrophobicContact CE1-CE1 3.4Å; F212-Y218 HydrophobicContact CG-CD1 4.33Å; F212-Y218 HydrophobicContact CG-CE1 4.37Å; F212-W219 AromaticContact CD2-CE3 3.64Å; F212-W219 HydrophobicContact CD2-CE3 3.64Å; F212-W219 AromaticContact CD2-CZ3 3.8Å; F212-W219 HydrophobicContact CD2-CZ3 3.8Å; F212-W219 AromaticContact CE2-CE3 3.69Å; F212-W219 HydrophobicContact CE2-CE3 3.69Å; F212-W219 AromaticContact CE2-CZ3 3.42Å; F212-W219 HydrophobicContact CE2-CZ3 3.42Å; F212-W219 VanDerWaalsContact CE2-CZ3 3.42Å; F212-W219 HydrophobicContact CG-CE3 4.27Å; F212-W219 HydrophobicContact CZ-CE3 4.32Å; F212-W219 HydrophobicContact CZ-CZ3 4.14Å
213G62.9Low87.6Confident76 Ų7643.3 Ų43.378%0.78424%0.238SC*.THydrogen-bonded Turntrans57.921.8170.700000115.2T211 N215T211-G213 VanDerWaalsContact C-N 3.31Å; G213-N215 PolarHBondContact O-N 2.82Å
214G77Confident87.7Confident72 Ų7242.9 Ų42.974%0.74224%0.235SC*.THydrogen-bonded Turntrans71.39-17200000114.6F212 K216F212-G214 PolarHBondContact O-N 3.02Å; G214-K216 PolarHBondContact O-N 3.42Å
215N88.1Confident87.9Confident49 Ų4943 Ų4326%0.26224%0.235SC..  trans-70.695175.9-172.8-30.1000110F212 G213 L217 Y218 W219F212-N215 VanDerWaalsContact O-CB 3.29Å; F212-N215 WeakPolarHBondContact O-CB 3.33Å; F212-N215 PolarHBondContact O-N 2.54Å; G213-N215 PolarHBondContact O-N 2.82Å; N215-L217 VanDerWaalsContact C-N 3.29Å; N215-L217 PolarHBondContact O-N 2.91Å; N215-L217 WeakPolarHBondContact OD1-CB 3.4Å; N215-L217 PolarHBondContact OD1-N 3.35Å; N215-L217 VanDerWaalsContact OD1-N 3.08Å; N215-Y218 PolarHBondContact O-N 3.21Å; N215-Y218 PolarHBondContact OD1-N 2.92Å; N215-W219 PolarHBondContact O-N 3.35Å; N215-W219 VanDerWaalsContact O-N 3.12Å
216K91.1Very high88Confident109 Ų10942.7 Ų42.747%0.47423%0.233SC..Hα-helixtrans-58.3-37.2178.5-67.9178179.7179.80112.5L87 E90 G214 A220L87-K216 HydrophobicContact CD1-CB 4.3Å; L87-K216 HydrophobicContact CD2-CB 4.04Å; L87-K216 HydrophobicContact CD2-CD 3.8Å; E90-K216 IonicContact OE1-NZ 3.84Å; E90-K216 IonicContact OE2-NZ 3.75Å; E90-K216 PolarHBondContact OE2-NZ 3.35Å; G214-K216 PolarHBondContact O-N 3.42Å; K216-A220 WeakPolarHBondContact O-CB 3.41Å; K216-A220 PolarHBondContact O-N 3.23Å
217L94Very high88Confident2 Ų242.7 Ų42.71%0.0123%0.233CC..Hα-helixtrans-67.4-48-179.5-176.761.6000111.1I84 L87 L98 E101 A102 I105 N215 W219 A220 V221I84-L217 HydrophobicContact CG1-CD1 3.85Å; L87-L217 HydrophobicContact CD1-CB 3.72Å; L87-L217 HydrophobicContact CD1-CD1 4.31Å; L98-L217 HydrophobicContact CD2-CD2 4.15Å; E101-L217 HydrophobicContact CB-CD2 3.94Å; E101-L217 HydrophobicContact CG-CD2 3.87Å; A102-L217 HydrophobicContact CB-CD1 4.25Å; A102-L217 HydrophobicContact CB-CD2 4.48Å; I105-L217 HydrophobicContact CD1-CD2 4.32Å; I105-L217 HydrophobicContact CD1-CG 4.23Å; N215-L217 VanDerWaalsContact C-N 3.29Å; N215-L217 PolarHBondContact O-N 2.91Å; N215-L217 WeakPolarHBondContact OD1-CB 3.4Å; N215-L217 PolarHBondContact OD1-N 3.35Å; N215-L217 VanDerWaalsContact OD1-N 3.08Å; L217-W219 VanDerWaalsContact C-N 3.33Å; L217-W219 PolarHBondContact O-N 3.38Å; L217-A220 PolarHBondContact O-N 2.96Å; L217-V221 HydrophobicContact CD1-CG2 4.31Å; L217-V221 WeakPolarHBondContact O-CG2 3.32Å; L217-V221 PolarHBondContact O-N 3.24Å
218Y93.9Very high88.2Confident2 Ų242.6 Ų42.61%0.00823%0.233CC..Hα-helixtrans-57.6-47.5176179-84.5000111.3I105 M208 R209 F212 N215 A220 V221 F222I105-Y218 HydrophobicContact CD1-CD2 4.39Å; I105-Y218 HydrophobicContact CG1-CD2 4.23Å; I105-Y218 HydrophobicContact CG2-CD2 3.56Å; I105-Y218 HydrophobicContact CG2-CE2 3.92Å; I105-Y218 HydrophobicContact CG2-CG 4.44Å; M208-Y218 WeakPolarHBondContact CA-OH 3.38Å; R209-Y218 HydrophobicContact CB-CE1 4.35Å; R209-Y218 VanDerWaalsContact CD-CE2 3.49Å; R209-Y218 HydrophobicContact CG-CE2 3.9Å; R209-Y218 PolarHBondContact N-OH 3.1Å; F212-Y218 AromaticContact CD1-CD1 3.55Å; F212-Y218 HydrophobicContact CD1-CD1 3.55Å; F212-Y218 AromaticContact CD1-CE1 3.24Å; F212-Y218 HydrophobicContact CD1-CE1 3.24Å; F212-Y218 HydrophobicContact CE1-CD1 4.15Å; F212-Y218 AromaticContact CE1-CE1 3.4Å; F212-Y218 HydrophobicContact CE1-CE1 3.4Å; F212-Y218 HydrophobicContact CG-CD1 4.33Å; F212-Y218 HydrophobicContact CG-CE1 4.37Å; N215-Y218 PolarHBondContact O-N 3.21Å; N215-Y218 PolarHBondContact OD1-N 2.92Å; Y218-A220 VanDerWaalsContact C-N 3.33Å; Y218-A220 PolarHBondContact O-N 2.78Å; Y218-V221 PolarHBondContact O-N 2.93Å; Y218-F222 HydrophobicContact CD1-CB 4.43Å; Y218-F222 HydrophobicContact CE1-CB 4.06Å; Y218-F222 HydrophobicContact CE1-CD2 4.39Å; Y218-F222 HydrophobicContact CE1-CG 4.27Å; Y218-F222 WeakPolarHBondContact O-CB 3.24Å; Y218-F222 PolarHBondContact O-N 3.27Å
219W92.4Very high88.3Confident98 Ų9840.5 Ų40.537%0.37122%0.222SC..Hα-helixtrans-59.8-42.7178.4177.7-98000112.3F212 N215 L217 S223 I261F212-W219 AromaticContact CD2-CE3 3.64Å; F212-W219 HydrophobicContact CD2-CE3 3.64Å; F212-W219 AromaticContact CD2-CZ3 3.8Å; F212-W219 HydrophobicContact CD2-CZ3 3.8Å; F212-W219 AromaticContact CE2-CE3 3.69Å; F212-W219 HydrophobicContact CE2-CE3 3.69Å; F212-W219 AromaticContact CE2-CZ3 3.42Å; F212-W219 HydrophobicContact CE2-CZ3 3.42Å; F212-W219 VanDerWaalsContact CE2-CZ3 3.42Å; F212-W219 HydrophobicContact CG-CE3 4.27Å; F212-W219 HydrophobicContact CZ-CE3 4.32Å; F212-W219 HydrophobicContact CZ-CZ3 4.14Å; N215-W219 PolarHBondContact O-N 3.35Å; N215-W219 VanDerWaalsContact O-N 3.12Å; L217-W219 VanDerWaalsContact C-N 3.33Å; L217-W219 PolarHBondContact O-N 3.38Å; W219-S223 PolarHBondContact NE1-OG 3.29Å; W219-S223 WeakPolarHBondContact O-CB 3.26Å; W219-S223 PolarHBondContact O-N 3.21Å; W219-S223 PolarHBondContact O-OG 3.5Å; W219-I261 HydrophobicContact CH2-CD1 3.56Å; W219-I261 HydrophobicContact CH2-CG1 3.9Å; W219-I261 HydrophobicContact CZ2-CD1 4Å; W219-I261 HydrophobicContact CZ2-CG1 3.97Å; W219-I261 HydrophobicContact CZ3-CD1 3.91Å
220A94.3Very high88.7Confident4 Ų437.3 Ų37.33%0.03321%0.21CC..Hα-helixtrans-63.9-50.6178.300000111.8I80 V83 K216 L217 Y218 F222 S223 E224I80-A220 VanDerWaalsContact CD1-C 3.45Å; I80-A220 HydrophobicContact CD1-CB 3.92Å; V83-A220 HydrophobicContact CB-CB 4.17Å; V83-A220 HydrophobicContact CG1-CB 3.86Å; V83-A220 HydrophobicContact CG2-CB 3.94Å; K216-A220 WeakPolarHBondContact O-CB 3.41Å; K216-A220 PolarHBondContact O-N 3.23Å; L217-A220 PolarHBondContact O-N 2.96Å; Y218-A220 VanDerWaalsContact C-N 3.33Å; Y218-A220 PolarHBondContact O-N 2.78Å; A220-F222 VanDerWaalsContact C-N 3.33Å; A220-F222 PolarHBondContact O-N 2.59Å; A220-S223 PolarHBondContact O-N 3.18Å; A220-E224 VanDerWaalsContact O-CB 3.3Å; A220-E224 WeakPolarHBondContact O-CB 3.12Å; A220-E224 PolarHBondContact O-N 3.01Å
221V96.1Very high89.6Confident4 Ų432 Ų322%0.02419%0.19CC..Hα-helixtrans-59.3-45.5177.9175.90000110.8I80 A102 I105 L106 M109 L217 Y218 Y225I80-V221 HydrophobicContact CD1-CB 4.34Å; I80-V221 HydrophobicContact CD1-CG2 3.88Å; A102-V221 HydrophobicContact CB-CG2 3.9Å; I105-V221 HydrophobicContact CB-CG1 4.38Å; I105-V221 HydrophobicContact CG2-CB 4.04Å; I105-V221 HydrophobicContact CG2-CG1 3.78Å; L106-V221 HydrophobicContact CB-CG1 4.16Å; L106-V221 HydrophobicContact CD1-CG1 4.28Å; M109-V221 HydrophobicContact SD-CG1 4.18Å; L217-V221 HydrophobicContact CD1-CG2 4.31Å; L217-V221 WeakPolarHBondContact O-CG2 3.32Å; L217-V221 PolarHBondContact O-N 3.24Å; Y218-V221 PolarHBondContact O-N 2.93Å; V221-Y225 WeakPolarHBondContact O-CB 3.21Å; V221-Y225 PolarHBondContact O-N 2.95Å
222F95.4Very high90.5Very high1 Ų128.6 Ų28.60%0.00417%0.168CC..Hα-helixtrans-65-47.1-179.6-178.5-92000112.5M109 F206 M208 Y218 A220 Y225 V226 L258 I261M109-F222 HydrophobicContact CE-CB 4.2Å; M109-F222 HydrophobicContact CE-CD2 3.25Å; M109-F222 HydrophobicContact CE-CE2 3.82Å; M109-F222 HydrophobicContact CE-CG 4.01Å; M109-F222 HydrophobicContact SD-CB 4.15Å; M109-F222 HydrophobicContact SD-CD2 3.91Å; M109-F222 HydrophobicContact SD-CG 4.49Å; F206-F222 HydrophobicContact CD2-CE2 4.1Å; F206-F222 HydrophobicContact CD2-CZ 4.47Å; F206-F222 HydrophobicContact CE2-CE2 4.08Å; F206-F222 AromaticContact CE2-CZ 3.98Å; F206-F222 HydrophobicContact CE2-CZ 3.98Å; M208-F222 HydrophobicContact CB-CD2 4.47Å; M208-F222 HydrophobicContact CB-CE2 3.56Å; M208-F222 HydrophobicContact CB-CZ 3.73Å; Y218-F222 HydrophobicContact CD1-CB 4.43Å; Y218-F222 HydrophobicContact CE1-CB 4.06Å; Y218-F222 HydrophobicContact CE1-CD2 4.39Å; Y218-F222 HydrophobicContact CE1-CG 4.27Å; Y218-F222 WeakPolarHBondContact O-CB 3.24Å; Y218-F222 PolarHBondContact O-N 3.27Å; A220-F222 VanDerWaalsContact C-N 3.33Å; A220-F222 PolarHBondContact O-N 2.59Å; F222-Y225 WeakPolarHBondContact O-CB 3.45Å; F222-Y225 PolarHBondContact O-N 2.94Å; F222-V226 HydrophobicContact CE1-CG2 4.14Å; F222-V226 HydrophobicContact CZ-CG2 4.19Å; F222-V226 PolarHBondContact O-N 3.26Å; F222-L258 HydrophobicContact CE1-CD2 3.6Å; F222-L258 HydrophobicContact CZ-CD2 3.78Å; F222-I261 HydrophobicContact CD1-CD1 3.95Å; F222-I261 HydrophobicContact CE1-CD1 3.92Å
223S94.7Very high91.1Very high2 Ų226.1 Ų26.11%0.01416%0.158CC..Hα-helixtrans-64.2-45-179.8-58.10000111W219 A220 Y225 V226 K227W219-S223 PolarHBondContact NE1-OG 3.29Å; W219-S223 WeakPolarHBondContact O-CB 3.26Å; W219-S223 PolarHBondContact O-N 3.21Å; W219-S223 PolarHBondContact O-OG 3.5Å; A220-S223 PolarHBondContact O-N 3.18Å; S223-Y225 VanDerWaalsContact C-N 3.29Å; S223-Y225 PolarHBondContact O-N 3.22Å; S223-V226 PolarHBondContact O-N 3.16Å; S223-K227 WeakPolarHBondContact O-CB 3.37Å; S223-K227 WeakPolarHBondContact O-CE 3.4Å; S223-K227 VanDerWaalsContact O-CG 3.3Å; S223-K227 WeakPolarHBondContact O-CG 3.44Å; S223-K227 PolarHBondContact O-N 3.4Å
224E96Very high92.2Very high5 Ų523 Ų232%0.02312%0.123CC..Hα-helixtrans-63.8-35.6178.6-175.463.2-17300112.5V74 S77 I80 A220 K227 T228 R231V74-E224 HydrophobicContact CG1-CB 4.23Å; V74-E224 HydrophobicContact CG1-CG 4.03Å; S77-E224 VanDerWaalsContact CB-OE1 3.29Å; S77-E224 WeakPolarHBondContact CB-OE1 3.48Å; I80-E224 HydrophobicContact CD1-CB 4.13Å; I80-E224 HydrophobicContact CG1-CB 4.28Å; I80-E224 HydrophobicContact CG1-CG 4.21Å; A220-E224 VanDerWaalsContact O-CB 3.3Å; A220-E224 WeakPolarHBondContact O-CB 3.12Å; A220-E224 PolarHBondContact O-N 3.01Å; E224-K227 WeakPolarHBondContact OE2-CE 3.41Å; E224-K227 IonicContact OE2-NZ 3.14Å; E224-T228 VanDerWaalsContact O-CB 3.29Å; E224-T228 WeakPolarHBondContact O-CB 3.26Å; E224-T228 PolarHBondContact O-N 3.06Å; E224-T228 PolarHBondContact O-OG1 3.5Å; E224-R231 IonicContact OE1-CZ 2.89Å; E224-R231 IonicContact OE1-NH1 2.56Å; E224-R231 IonicContact OE1-NH2 3.88Å; E224-R231 PolarHBondContact OE1-NH2 3.31Å; E224-R231 IonicContact OE2-NH2 2.91Å
225Y96.6Very high92.9Very high2 Ų220 Ų201%0.0089%0.091CC..Hα-helixtrans-60.3-51.3173.7-178.5-95.7000112.4I70 V74 L106 M109 S110 H111 F206 V221 F222 S223 T228 M229I70-Y225 HydrophobicContact CG2-CD2 4.24Å; I70-Y225 HydrophobicContact CG2-CE2 3.89Å; V74-Y225 HydrophobicContact CG2-CD2 4.15Å; L106-Y225 HydrophobicContact CD1-CD2 3.73Å; L106-Y225 HydrophobicContact CD1-CE2 4.32Å; M109-Y225 HydrophobicContact CE-CD1 3.42Å; M109-Y225 VanDerWaalsContact CE-CD1 3.42Å; M109-Y225 HydrophobicContact CE-CD2 4.42Å; M109-Y225 HydrophobicContact CE-CE1 4.15Å; M109-Y225 HydrophobicContact CE-CG 3.55Å; S110-Y225 WeakPolarHBondContact CA-OH 3.17Å; H111-Y225 PolarHBondContact CE1-OH 3.06Å; H111-Y225 PolarHBondContact N-OH 2.87Å; H111-Y225 AromaticContact ND1-CZ 3.78Å; H111-Y225 PolarHBondContact ND1-OH 3.35Å; F206-Y225 HydrophobicContact CB-CE1 3.82Å; F206-Y225 HydrophobicContact CD1-CE1 4.39Å; F206-Y225 HydrophobicContact CD2-CD1 4.49Å; F206-Y225 HydrophobicContact CD2-CE1 4.24Å; F206-Y225 AromaticContact CG-CE1 3.92Å; F206-Y225 HydrophobicContact CG-CE1 3.92Å; V221-Y225 WeakPolarHBondContact O-CB 3.21Å; V221-Y225 PolarHBondContact O-N 2.95Å; F222-Y225 WeakPolarHBondContact O-CB 3.45Å; F222-Y225 PolarHBondContact O-N 2.94Å; S223-Y225 VanDerWaalsContact C-N 3.29Å; S223-Y225 PolarHBondContact O-N 3.22Å; Y225-T228 WeakPolarHBondContact O-CB 3.17Å; Y225-T228 PolarHBondContact O-N 3.29Å; Y225-M229 HydrophobicContact CE1-CG 4.28Å; Y225-M229 WeakPolarHBondContact O-CG 3.32Å; Y225-M229 PolarHBondContact O-N 3.47Å
226V96.4Very high93.2Very high0 Ų017.8 Ų17.80%08%0.079CC..Hα-helixtrans-65.2-40.8179.5176.10000111.3F206 F222 S223 T228 M229 L230 I261 V262F206-V226 HydrophobicContact CE2-CG2 3.84Å; F206-V226 HydrophobicContact CZ-CG2 4.13Å; F222-V226 HydrophobicContact CE1-CG2 4.14Å; F222-V226 HydrophobicContact CZ-CG2 4.19Å; F222-V226 PolarHBondContact O-N 3.26Å; S223-V226 PolarHBondContact O-N 3.16Å; V226-T228 VanDerWaalsContact C-N 3.31Å; V226-T228 PolarHBondContact O-N 3.48Å; V226-M229 WeakPolarHBondContact O-CB 3.49Å; V226-M229 PolarHBondContact O-N 2.97Å; V226-L230 PolarHBondContact O-N 3.15Å; V226-I261 HydrophobicContact CB-CG2 3.72Å; V226-I261 HydrophobicContact CG1-CG2 3.78Å; V226-V262 HydrophobicContact CG1-CG1 3.77Å
227K95.8Very high93.5Very high1 Ų112.6 Ų12.60%0.0046%0.057CC..Hα-helixtrans-59.7-41.8173.4-72.2-176-73.9-166.10112E79 S223 E224 M229 L230 R231 I261 E264 P265E79-K227 IonicContact OE1-NZ 2.94Å; E79-K227 PolarHBondContact OE1-NZ 3.41Å; E79-K227 IonicContact OE2-NZ 3.24Å; E79-K227 PolarHBondContact OE2-NZ 2.94Å; S223-K227 WeakPolarHBondContact O-CB 3.37Å; S223-K227 WeakPolarHBondContact O-CE 3.4Å; S223-K227 VanDerWaalsContact O-CG 3.3Å; S223-K227 WeakPolarHBondContact O-CG 3.44Å; S223-K227 PolarHBondContact O-N 3.4Å; E224-K227 WeakPolarHBondContact OE2-CE 3.41Å; E224-K227 IonicContact OE2-NZ 3.14Å; K227-M229 VanDerWaalsContact C-N 3.31Å; K227-M229 PolarHBondContact O-N 3.35Å; K227-L230 PolarHBondContact O-N 3.06Å; K227-R231 WeakPolarHBondContact O-CG 3.34Å; K227-R231 PolarHBondContact O-N 3.37Å; K227-I261 HydrophobicContact CG-CG2 4.15Å; K227-E264 HydrophobicContact CD-CB 4.42Å; K227-E264 HydrophobicContact CD-CG 4.45Å; K227-E264 VanDerWaalsContact CD-OE2 3.28Å; K227-E264 WeakPolarHBondContact CD-OE2 3.3Å; K227-E264 IonicContact NZ-OE2 3.74Å; K227-E264 PolarHBondContact NZ-OE2 3.25Å; K227-P265 HydrophobicContact CB-CG 4.03Å; K227-P265 HydrophobicContact CD-CG 4.39Å; K227-P265 HydrophobicContact CG-CG 3.78Å
228T95Very high93.7Very high0 Ų012.5 Ų12.50%06%0.057CC..Hα-helixtrans-62.6-38.4176.8-59.30000112I70 I73 V74 E224 Y225 V226 L230 R231 N232I70-T228 HydrophobicContact CG2-CG2 4.09Å; I73-T228 HydrophobicContact CB-CG2 4.31Å; I73-T228 HydrophobicContact CG2-CG2 3.78Å; V74-T228 HydrophobicContact CG2-CG2 4.07Å; V74-T228 WeakPolarHBondContact CG2-OG1 3.37Å; E224-T228 VanDerWaalsContact O-CB 3.29Å; E224-T228 WeakPolarHBondContact O-CB 3.26Å; E224-T228 PolarHBondContact O-N 3.06Å; E224-T228 PolarHBondContact O-OG1 3.5Å; Y225-T228 WeakPolarHBondContact O-CB 3.17Å; Y225-T228 PolarHBondContact O-N 3.29Å; V226-T228 VanDerWaalsContact C-N 3.31Å; V226-T228 PolarHBondContact O-N 3.48Å; T228-L230 VanDerWaalsContact C-N 3.33Å; T228-L230 PolarHBondContact O-N 3.39Å; T228-R231 PolarHBondContact O-N 3.1Å; T228-R231 PolarHBondContact OG1-NH2 3.18Å; T228-N232 WeakPolarHBondContact O-CB 3.42Å; T228-N232 VanDerWaalsContact O-CG 3.27Å; T228-N232 PolarHBondContact O-N 3.47Å; T228-N232 PolarHBondContact O-ND2 2.78Å
229M93.6Very high93.9Very high1 Ų112.7 Ų12.71%0.0056%0.057CC..Hα-helixtrans-57.8-46.1173.6-68.8-56.2-48.200112I70 V183 Y225 V226 K227 N232 G233 Y234 V237I70-M229 HydrophobicContact CD1-SD 3.88Å; I70-M229 HydrophobicContact CG2-SD 4.24Å; V183-M229 HydrophobicContact CB-CE 4.25Å; V183-M229 HydrophobicContact CG1-CE 3.74Å; V183-M229 HydrophobicContact CG2-CE 3.56Å; V183-M229 HydrophobicContact CG2-CG 4.3Å; V183-M229 HydrophobicContact CG2-SD 4.49Å; Y225-M229 HydrophobicContact CE1-CG 4.28Å; Y225-M229 WeakPolarHBondContact O-CG 3.32Å; Y225-M229 PolarHBondContact O-N 3.47Å; V226-M229 WeakPolarHBondContact O-CB 3.49Å; V226-M229 PolarHBondContact O-N 2.97Å; K227-M229 VanDerWaalsContact C-N 3.31Å; K227-M229 PolarHBondContact O-N 3.35Å; M229-N232 PolarHBondContact O-N 3.32Å; M229-G233 PolarHBondContact O-N 3.23Å; M229-Y234 HydrophobicContact CE-CD1 4.22Å; M229-Y234 HydrophobicContact CE-CE1 3.26Å; M229-Y234 HydrophobicContact CE-CE2 4.46Å; M229-Y234 VanDerWaalsContact CE-CZ 3.42Å; M229-Y234 VanDerWaalsContact CE-OH 3.24Å; M229-Y234 WeakPolarHBondContact CE-OH 3.24Å; M229-Y234 HydrophobicContact SD-CE1 4.02Å; M229-V237 HydrophobicContact CB-CG2 3.98Å
230L93.6Very high94Very high3 Ų39.1 Ų9.12%0.0164%0.044CC..Hα-helixtrans-69.7-41.2179.1-70.6172.8000113.3P154 V156 V226 K227 T228 N232 G233 V237 V262 P265P154-L230 HydrophobicContact CB-CD2 4.07Å; P154-L230 WeakPolarHBondContact CG-O 3.48Å; V156-L230 HydrophobicContact CG2-CD2 3.7Å; V226-L230 PolarHBondContact O-N 3.15Å; K227-L230 PolarHBondContact O-N 3.06Å; T228-L230 VanDerWaalsContact C-N 3.33Å; T228-L230 PolarHBondContact O-N 3.39Å; L230-N232 VanDerWaalsContact C-N 3.29Å; L230-N232 PolarHBondContact O-N 3.48Å; L230-G233 PolarHBondContact O-N 3.34Å; L230-V237 HydrophobicContact CD2-CG2 3.96Å; L230-V237 HydrophobicContact CG-CG2 4.28Å; L230-V262 VanDerWaalsContact CD1-CA 3.47Å; L230-V262 HydrophobicContact CD1-CB 3.58Å; L230-V262 HydrophobicContact CD1-CG1 3.89Å; L230-V262 VanDerWaalsContact CD1-O 3.28Å; L230-V262 WeakPolarHBondContact CD1-O 3.46Å; L230-P265 HydrophobicContact CD1-CG 4.34Å
231R92.1Very high94.1Very high71 Ų719 Ų927%0.2684%0.043SC..Hα-helixtrans-61.5-39.2176.6-71.4-178.3-60.5-166.53.7111.7E224 K227 T228 E270 V271E224-R231 IonicContact OE1-CZ 2.89Å; E224-R231 IonicContact OE1-NH1 2.56Å; E224-R231 IonicContact OE1-NH2 3.88Å; E224-R231 PolarHBondContact OE1-NH2 3.31Å; E224-R231 IonicContact OE2-NH2 2.91Å; K227-R231 WeakPolarHBondContact O-CG 3.34Å; K227-R231 PolarHBondContact O-N 3.37Å; T228-R231 PolarHBondContact O-N 3.1Å; T228-R231 PolarHBondContact OG1-NH2 3.18Å; R231-E270 HydrophobicContact CG-CB 4.2Å; R231-E270 IonicContact NH1-OE1 2.7Å; R231-E270 PolarHBondContact NH1-OE1 3.45Å; R231-V271 HydrophobicContact CG-CG1 4.36Å
232N88.6Confident93.9Very high40 Ų409 Ų921%0.2144%0.043CC..Hα-helixtrans-74-38.4177.1-70.2-22.7000112.2T228 M229 L230 Y234T228-N232 WeakPolarHBondContact O-CB 3.42Å; T228-N232 VanDerWaalsContact O-CG 3.27Å; T228-N232 PolarHBondContact O-N 3.47Å; T228-N232 PolarHBondContact O-ND2 2.78Å; M229-N232 PolarHBondContact O-N 3.32Å; L230-N232 VanDerWaalsContact C-N 3.29Å; L230-N232 PolarHBondContact O-N 3.48Å; N232-Y234 HydrophobicContact CB-CD1 4.04Å; N232-Y234 PolarHBondContact O-N 3.04Å; N232-Y234 VanDerWaalsContact O-N 3.11Å
233G85.2Confident93.6Very high6 Ų611.6 Ų11.66%0.0627%0.07CC..  trans65.612.5173.700000115.9Y59 M229 L230 A235Y59-G233 WeakPolarHBondContact CB-O 3.44Å; M229-G233 PolarHBondContact O-N 3.23Å; L230-G233 PolarHBondContact O-N 3.34Å; G233-A235 VanDerWaalsContact C-N 3.3Å; G233-A235 PolarHBondContact O-N 3.01Å
234Y86.4Confident93.3Very high12 Ų1214.6 Ų14.65%0.0479%0.089CC..SBendtrans-76-15.1-177.680.1-88.6000113.9L58 C65 I70 H111 L113 M229 N232L58-Y234 VanDerWaalsContact CD2-O 3.31Å; L58-Y234 WeakPolarHBondContact CD2-O 3.42Å; C65-Y234 HydrophobicContact CB-CD1 4.15Å; C65-Y234 HydrophobicContact CB-CE1 4.33Å; I70-Y234 HydrophobicContact CD1-CE1 3.44Å; I70-Y234 VanDerWaalsContact CD1-CE1 3.44Å; I70-Y234 WeakPolarHBondContact CD1-OH 3.47Å; I70-Y234 HydrophobicContact CG1-CE1 4.46Å; H111-Y234 PolarHBondContact CE1-OH 3.42Å; H111-Y234 PolarHBondContact NE2-OH 3.18Å; L113-Y234 HydrophobicContact CD2-CE2 4.24Å; M229-Y234 HydrophobicContact CE-CD1 4.22Å; M229-Y234 HydrophobicContact CE-CE1 3.26Å; M229-Y234 HydrophobicContact CE-CE2 4.46Å; M229-Y234 VanDerWaalsContact CE-CZ 3.42Å; M229-Y234 VanDerWaalsContact CE-OH 3.24Å; M229-Y234 WeakPolarHBondContact CE-OH 3.24Å; M229-Y234 HydrophobicContact SD-CE1 4.02Å; N232-Y234 HydrophobicContact CB-CD1 4.04Å; N232-Y234 PolarHBondContact O-N 3.04Å; N232-Y234 VanDerWaalsContact O-N 3.11Å
235A91.6Very high93.2Very high8 Ų815.5 Ų15.57%0.0669%0.092CC..SBendtrans-147.6143.4176.200000109.5V183 G233V183-A235 HydrophobicContact CG1-CB 4.32Å; G233-A235 VanDerWaalsContact C-N 3.3Å; G233-A235 PolarHBondContact O-N 3.01Å
236P95.5Very high93Very high2 Ų215.5 Ų15.51%0.0139%0.092CC..  trans-59.4149.4169.8-2130.7000111.6V150 V155 L157 P180 P182 V183V150-P236 HydrophobicContact CG1-CG 4Å; V155-P236 HydrophobicContact CB-CB 4.28Å; V155-P236 HydrophobicContact CG1-CB 4.31Å; V155-P236 VanDerWaalsContact O-CA 3.3Å; V155-P236 WeakPolarHBondContact O-CA 3.27Å; L157-P236 HydrophobicContact CD1-CB 3.89Å; L157-P236 HydrophobicContact CG-CB 3.91Å; P180-P236 WeakPolarHBondContact O-CD 3.39Å; P182-P236 CarbonylContact C-O 3.57Å; P182-P236 VanDerWaalsContact CA-O 3.27Å; P182-P236 WeakPolarHBondContact CA-O 3.48Å; P182-P236 HydrophobicContact CB-CB 4.27Å; P182-P236 WeakPolarHBondContact CB-O 3.1Å; V183-P236 PolarHBondContact N-O 3.43Å
237V97.3Very high92.8Very high1 Ų117.3 Ų17.31%0.00610%0.099CC..EExtended strand (participates in β ladder)trans-98.9127.3170.9179.30000108.8V155 V156 L157 V183 F206 M229 L230 F239V155-V237 PolarHBondContact O-N 3.48Å; V156-V237 CarbonylContact C-O 3.6Å; V156-V237 VanDerWaalsContact CA-O 3.25Å; V156-V237 WeakPolarHBondContact CA-O 3.45Å; V156-V237 HydrophobicContact CG2-CB 4.42Å; L157-V237 PolarHBondContact N-O 2.92Å; V183-V237 HydrophobicContact CG2-CB 4.47Å; V183-V237 HydrophobicContact CG2-CG2 3.95Å; F206-V237 HydrophobicContact CE1-CG1 4.49Å; F206-V237 HydrophobicContact CZ-CG1 4.42Å; M229-V237 HydrophobicContact CB-CG2 3.98Å; L230-V237 HydrophobicContact CD2-CG2 3.96Å; L230-V237 HydrophobicContact CG-CG2 4.28Å; V237-F239 HydrophobicContact CG1-CD1 4.36Å
238E97.7Very high92.6Very high0 Ų017.4 Ų17.40%010%0.1CC..EExtended strand (participates in β ladder)trans-110.9131.8178.2-178-169.4149.800110.8L157 P159 F167 L170 P182 V183 I184 A185L157-E238 HydrophobicContact CB-CB 4.3Å; L157-E238 HydrophobicContact CB-CG 4.38Å; P159-E238 HydrophobicContact CG-CG 4.11Å; F167-E238 VanDerWaalsContact CA-OE1 3.26Å; F167-E238 WeakPolarHBondContact CA-OE1 3.39Å; F167-E238 VanDerWaalsContact CB-OE1 3.23Å; F167-E238 WeakPolarHBondContact CB-OE1 3.44Å; L170-E238 HydrophobicContact CD2-CG 4.01Å; P182-E238 HydrophobicContact CB-CB 3.85Å; P182-E238 HydrophobicContact CG-CB 4.18Å; P182-E238 WeakPolarHBondContact CG-OE2 3.32Å; V183-E238 PolarHBondContact O-N 3.36Å; I184-E238 HydrophobicContact CG1-CB 4.28Å; A185-E238 PolarHBondContact N-O 2.97Å
239F97.1Very high92.5Very high5 Ų517.9 Ų17.92%0.02210%0.103CC..  trans-157159.2165.966-86.6000112.2V156 L157 L158 A185 V237 L241 L258 L259 V262V156-F239 HydrophobicContact CG1-CD1 4.1Å; V156-F239 HydrophobicContact CG1-CE1 3.4Å; V156-F239 HydrophobicContact CG1-CZ 4.13Å; L157-F239 PolarHBondContact O-N 2.86Å; L158-F239 HydrophobicContact CD2-CD1 4.11Å; L158-F239 HydrophobicContact CD2-CD2 4.09Å; L158-F239 HydrophobicContact CD2-CE1 3.7Å; L158-F239 HydrophobicContact CD2-CE2 3.67Å; L158-F239 HydrophobicContact CD2-CG 4.3Å; L158-F239 HydrophobicContact CD2-CZ 3.46Å; L158-F239 VanDerWaalsContact CD2-CZ 3.46Å; A185-F239 HydrophobicContact CB-CB 3.78Å; V237-F239 HydrophobicContact CG1-CD1 4.36Å; F239-L241 HydrophobicContact CE2-CD2 3.83Å; F239-L258 HydrophobicContact CB-CD1 3.75Å; F239-L258 HydrophobicContact CD2-CB 3.87Å; F239-L258 HydrophobicContact CD2-CD1 3.97Å; F239-L258 HydrophobicContact CE1-CB 4.5Å; F239-L258 HydrophobicContact CE2-CB 3.83Å; F239-L258 HydrophobicContact CG-CB 4.22Å; F239-L258 HydrophobicContact CG-CD1 3.89Å; F239-L258 HydrophobicContact CZ-CB 4.17Å; F239-L259 HydrophobicContact CE2-CB 4.5Å; F239-L259 HydrophobicContact CZ-CB 4.4Å; F239-L259 HydrophobicContact CZ-CD1 4.21Å; F239-V262 HydrophobicContact CE1-CG1 3.87Å; F239-V262 HydrophobicContact CE1-CG2 4.02Å; F239-V262 HydrophobicContact CZ-CG2 3.98Å
240F95.9Very high92.4Very high23 Ų2318 Ų1810%0.10110%0.104CC..  trans-93.5119.1179.9-57.2-84.6000110.7P159 H161 D166 F167 E242 G243P159-F240 HydrophobicContact CB-CD1 4.32Å; P159-F240 HydrophobicContact CB-CE1 3.97Å; P159-F240 HydrophobicContact CG-CD1 3.75Å; P159-F240 HydrophobicContact CG-CE1 3.46Å; P159-F240 VanDerWaalsContact CG-CE1 3.46Å; P159-F240 HydrophobicContact CG-CZ 4.06Å; P159-F240 WeakPolarHBondContact O-CD1 3.42Å; H161-F240 HydrophobicContact CB-CB 4.03Å; H161-F240 HydrophobicContact CB-CD1 3.35Å; H161-F240 HydrophobicContact CB-CE1 3.96Å; H161-F240 HydrophobicContact CB-CG 3.81Å; H161-F240 AromaticContact CD2-CD1 3.77Å; H161-F240 AromaticContact CD2-CD2 3.64Å; H161-F240 AromaticContact CD2-CG 3.45Å; H161-F240 VanDerWaalsContact CD2-CG 3.45Å; H161-F240 WeakPolarHBondContact CD2-CG 3.37Å; H161-F240 AromaticContact CE1-CE1 3.81Å; H161-F240 AromaticContact CE1-CE2 3.69Å; H161-F240 AromaticContact CE1-CZ 3.58Å; H161-F240 AromaticContact CG-CD1 3.3Å; H161-F240 AromaticContact CG-CE1 3.6Å; H161-F240 AromaticContact CG-CG 3.52Å; H161-F240 AromaticContact ND1-CD1 3.6Å; H161-F240 AromaticContact ND1-CE1 3.34Å; H161-F240 VanDerWaalsContact ND1-CE1 3.34Å; H161-F240 WeakPolarHBondContact ND1-CE1 3.46Å; H161-F240 AromaticContact ND1-CZ 3.61Å; H161-F240 AromaticContact NE2-CD2 3.68Å; H161-F240 AromaticContact NE2-CE2 3.77Å; H161-F240 AromaticContact NE2-CG 3.98Å; D166-F240 HydrophobicContact CB-CE1 3.89Å; D166-F240 HydrophobicContact CB-CZ 3.93Å; F167-F240 HydrophobicContact CB-CE2 4.23Å; F167-F240 HydrophobicContact CB-CZ 4.02Å; F240-E242 PolarHBondContact O-N 3.36Å; F240-G243 PolarHBondContact O-N 3.47Å
241L94.9Very high92.4Very high1 Ų118.3 Ų18.31%0.00511%0.106CC..THydrogen-bonded Turntrans-58.8-32.7176.9-74.6174.9000112.5L158 F239 G243 P254 K255 L259 I372 Q373L158-L241 HydrophobicContact CB-CD1 4.47Å; L158-L241 HydrophobicContact CD1-CD1 4.21Å; L158-L241 HydrophobicContact CD1-CG 4.49Å; L158-L241 HydrophobicContact CD2-CD2 4.3Å; L158-L241 HydrophobicContact CD2-CG 4.14Å; F239-L241 HydrophobicContact CE2-CD2 3.83Å; L241-G243 PolarHBondContact O-N 3.13Å; L241-P254 HydrophobicContact CB-CB 4.35Å; L241-P254 CarbonylContact O-C 3.6Å; L241-P254 WeakPolarHBondContact O-CA 3.48Å; L241-K255 PolarHBondContact O-N 3.21Å; L241-L259 HydrophobicContact CD2-CB 4.37Å; L241-L259 HydrophobicContact CD2-CD1 4.34Å; L241-L259 HydrophobicContact CD2-CD2 4.13Å; L241-I372 HydrophobicContact CD1-CB 3.82Å; L241-I372 HydrophobicContact CD1-CG2 3.53Å; L241-Q373 HydrophobicContact CB-CG 4.45Å; L241-Q373 HydrophobicContact CD1-CG 4.07Å
242E91.6Very high92.4Very high4 Ų416.5 Ų16.52%0.01910%0.102CC..THydrogen-bonded Turntrans-65.5-23.9178.6-62.2-176.3-110.100112.6H161 R162 F240 T244 L252H161-E242 PolarHBondContact N-OE1 3.48Å; R162-E242 IonicContact CZ-OE1 3.52Å; R162-E242 IonicContact CZ-OE2 3.29Å; R162-E242 VanDerWaalsContact NH1-CD 3.28Å; R162-E242 IonicContact NH1-OE1 3.3Å; R162-E242 PolarHBondContact NH1-OE1 3.25Å; R162-E242 IonicContact NH1-OE2 2.85Å; R162-E242 PolarHBondContact NH1-OE2 3.36Å; R162-E242 IonicContact NH2-OE1 3.58Å; R162-E242 IonicContact NH2-OE2 2.8Å; F240-E242 PolarHBondContact O-N 3.36Å; E242-T244 PolarHBondContact O-N 3.19Å; E242-L252 HydrophobicContact CB-CB 4.05Å; E242-L252 HydrophobicContact CB-CD1 4.45Å; E242-L252 HydrophobicContact CG-CB 4.15Å; E242-L252 WeakPolarHBondContact OE2-CG 3.44Å; E242-L252 PolarHBondContact OE2-N 3.43Å
243G89.4Confident92.6Very high56 Ų5616.6 Ų16.658%0.57710%0.102SC*.SBendtrans72.2-15.8-178.400000115.5F240 L241F240-G243 PolarHBondContact O-N 3.47Å; L241-G243 PolarHBondContact O-N 3.13Å
244T90Very high93Very high66 Ų6616.5 Ų16.541%0.40510%0.1SC..SBendtrans-151.4162.6174-173.90000110.2E242 R247 L252E242-T244 PolarHBondContact O-N 3.19Å; T244-R247 PolarHBondContact OG1-NH1 2.97Å; T244-L252 HydrophobicContact CG2-CD1 3.54Å
245R91.9Very high93.3Very high24 Ų2422.2 Ų22.29%0.09113%0.125CC..  trans-69.5137.9173.5-70.6162.4-70.2133.9-7.3110.6H161 S163 Y164 R247 Y292H161-R245 HydrophobicContact CB-CG 4.41Å; H161-R245 VanDerWaalsContact CD2-CG 3.48Å; H161-R245 WeakPolarHBondContact CD2-CG 3.4Å; H161-R245 WeakPolarHBondContact CE1-CG 3.32Å; H161-R245 WeakPolarHBondContact ND1-CG 3.47Å; H161-R245 VanDerWaalsContact NE2-CG 3.34Å; H161-R245 WeakPolarHBondContact NE2-CG 3.28Å; S163-R245 WeakPolarHBondContact O-CD 3.25Å; Y164-R245 VanDerWaalsContact CD2-NH1 3.29Å; Y164-R245 VanDerWaalsContact CE1-NH1 3.32Å; Y164-R245 PolarHBondContact OH-NH1 2.91Å; Y164-R245 PolarHBondContact OH-NH2 3.34Å; Y164-R245 VanDerWaalsContact OH-NH2 3.08Å; R245-R247 WeakPolarHBondContact O-CD 3.44Å; R245-R247 PolarHBondContact O-NH1 2.89Å; R245-Y292 PolarHBondContact NH1-OH 2.95Å
246S92.5Very high93.4Very high2 Ų225 Ų251%0.01414%0.135CC..  trans-76.7123172.3-173.20000110.9H161 R162 A249 K250H161-S246 PolarHBondContact O-N 3.1Å; H161-S246 VanDerWaalsContact O-N 3.16Å; R162-S246 VanDerWaalsContact NH1-CB 3.29Å; S246-A249 WeakPolarHBondContact OG-CA 3.48Å; S246-A249 PolarHBondContact OG-N 2.94Å; S246-A249 VanDerWaalsContact OG-N 3.13Å; S246-K250 WeakPolarHBondContact CB-O 3.4Å; S246-K250 PolarHBondContact OG-N 3.19Å; S246-K250 VanDerWaalsContact OG-N 3.15Å; S246-K250 PolarHBondContact OG-O 2.89Å
247R93Very high93.1Very high37 Ų3726.4 Ų26.414%0.1415%0.151CC..SBendtrans-82.6-28.9176.4-83.557.8177.3-176.41.3111.6T244 R245 Y292 E295 L296T244-R247 PolarHBondContact OG1-NH1 2.97Å; R245-R247 WeakPolarHBondContact O-CD 3.44Å; R245-R247 PolarHBondContact O-NH1 2.89Å; R247-Y292 HydrophobicContact CB-CG 4.29Å; R247-Y292 HydrophobicContact CG-CD1 3.79Å; R247-Y292 HydrophobicContact CG-CE1 4.45Å; R247-Y292 HydrophobicContact CG-CG 3.91Å; R247-E295 HydrophobicContact CG-CB 4.31Å; R247-E295 IonicContact CZ-OE2 2.76Å; R247-E295 VanDerWaalsContact CZ-OE2 3.3Å; R247-E295 IonicContact NE-OE2 2.68Å; R247-E295 PolarHBondContact NE-OE2 3.22Å; R247-E295 IonicContact NH2-OE2 3.61Å; R247-E295 PolarHBondContact NH2-OE2 3.28Å; R247-L296 HydrophobicContact CB-CD1 4.37Å; R247-L296 HydrophobicContact CB-CD2 3.65Å; R247-L296 HydrophobicContact CB-CG 3.87Å
248S91.6Very high92.9Very high4 Ų427.5 Ų27.53%0.02816%0.157CC..SBendtrans-93.65.3178.253.60000113.4K250 N482 D625S248-K250 PolarHBondContact O-N 3.44Å; S248-K250 VanDerWaalsContact OG-CE 3.31Å; S248-K250 WeakPolarHBondContact OG-CE 2.93Å; S248-N482 WeakPolarHBondContact O-CB 3.44Å; S248-N482 PolarHBondContact O-ND2 3.01Å; S248-D625 PolarHBondContact OG-OD2 2.96Å
249A92Very high92.8Very high9 Ų927.6 Ų27.67%0.07416%0.157CC..SBendtrans58.46.3-175.900000116.5S246 A479 Q483S246-A249 WeakPolarHBondContact OG-CA 3.48Å; S246-A249 PolarHBondContact OG-N 2.94Å; S246-A249 VanDerWaalsContact OG-N 3.13Å; A249-A479 HydrophobicContact CB-CB 4.23Å; A249-A479 WeakPolarHBondContact CB-O 3.48Å; A249-Q483 HydrophobicContact CB-CG 3.73Å
250K92.6Very high92.6Very high5 Ų528.5 Ų28.52%0.02216%0.162CC..SBendtrans-72.2152.4168.1-65-178-60.9-1700111.2R162 S246 S248 L252 N482 E523 F575R162-K250 PolarHBondContact NH1-O 3.15Å; S246-K250 WeakPolarHBondContact CB-O 3.4Å; S246-K250 PolarHBondContact OG-N 3.19Å; S246-K250 VanDerWaalsContact OG-N 3.15Å; S246-K250 PolarHBondContact OG-O 2.89Å; S248-K250 PolarHBondContact O-N 3.44Å; S248-K250 VanDerWaalsContact OG-CE 3.31Å; S248-K250 WeakPolarHBondContact OG-CE 2.93Å; K250-L252 PolarHBondContact O-N 2.91Å; K250-N482 HydrophobicContact CG-CB 3.8Å; K250-E523 IonicContact NZ-OE2 3.85Å; K250-E523 PolarHBondContact NZ-OE2 2.82Å; K250-F575 HydrophobicContact CD-CE1 4.29Å; K250-F575 HydrophobicContact CD-CZ 4.49Å
251T92.8Very high92.6Very high9 Ų927.6 Ų27.66%0.05516%0.158CC..PPolyproline II helixtrans-72.6123.8169.5-57.80000110.1R162 Q373 I377 I525R162-T251 PolarHBondContact NH2-OG1 3.33Å; T251-Q373 HydrophobicContact CG2-CB 4.41Å; T251-Q373 HydrophobicContact CG2-CG 4.49Å; T251-I377 HydrophobicContact CG2-CD1 4.28Å; T251-I525 HydrophobicContact CG2-CD1 4.21Å; T251-I525 HydrophobicContact CG2-CG1 3.72Å
252L93.1Very high92.7Very high33 Ų3327.6 Ų27.617%0.17316%0.158CC..PPolyproline II helixtrans-83.2154-178.6-54.5-179.8000112E242 T244 K250 Q373E242-L252 HydrophobicContact CB-CB 4.05Å; E242-L252 HydrophobicContact CB-CD1 4.45Å; E242-L252 HydrophobicContact CG-CB 4.15Å; E242-L252 WeakPolarHBondContact OE2-CG 3.44Å; E242-L252 PolarHBondContact OE2-N 3.43Å; T244-L252 HydrophobicContact CG2-CD1 3.54Å; K250-L252 PolarHBondContact O-N 2.91Å; L252-Q373 PolarHBondContact O-NE2 3.03Å
253I92.8Very high92.9Very high42 Ų4227.4 Ų27.422%0.21516%0.157CC..PPolyproline II helixtrans-54.9134.9173.6-62169.3000110.3D522I253-D522 HydrophobicContact CD1-CB 3.82Å; I253-D522 VanDerWaalsContact CD1-OD1 3.27Å; I253-D522 WeakPolarHBondContact CD1-OD1 3.4Å
254P94.4Very high93.1Very high3 Ų326 Ų262%0.01914%0.136CC..PPolyproline II helixtrans-71.5151.5-174.525.5-25.1000112.2L241 F256 A369 Y370 Q373L241-P254 HydrophobicContact CB-CB 4.35Å; L241-P254 CarbonylContact O-C 3.6Å; L241-P254 WeakPolarHBondContact O-CA 3.48Å; P254-F256 HydrophobicContact CB-CE1 4.37Å; P254-F256 HydrophobicContact CG-CE1 3.97Å; P254-F256 HydrophobicContact CG-CZ 4.41Å; P254-A369 HydrophobicContact CB-CB 3.83Å; P254-A369 HydrophobicContact CG-CB 3.85Å; P254-Y370 HydrophobicContact CG-CD2 3.84Å; P254-Y370 HydrophobicContact CG-CE2 3.82Å; P254-Y370 HydrophobicContact CG-CG 4.22Å; P254-Q373 VanDerWaalsContact CG-OE1 3.3Å
255K92.3Very high93.3Very high133 Ų13322.9 Ų22.958%0.57812%0.116SC*.PPolyproline II helixtrans-103.3126.6171.1-58-57-177.8-168.70109.8L241L241-K255 PolarHBondContact O-N 3.21Å
256F92.1Very high93.4Very high65 Ų6521.8 Ų21.829%0.28511%0.113SC..Hα-helixtrans-86.5-10.9-171.7-45.7-62.6000114.6P254 L259 N260 V365 T366 A369 Y370P254-F256 HydrophobicContact CB-CE1 4.37Å; P254-F256 HydrophobicContact CG-CE1 3.97Å; P254-F256 HydrophobicContact CG-CZ 4.41Å; F256-L259 PolarHBondContact O-N 2.88Å; F256-N260 WeakPolarHBondContact O-CB 3.5Å; F256-N260 PolarHBondContact O-N 3.49Å; F256-N260 PolarHBondContact O-ND2 3.16Å; F256-N260 VanDerWaalsContact O-ND2 3.1Å; F256-V365 HydrophobicContact CB-CG1 4.29Å; F256-T366 HydrophobicContact CE1-CG2 3.95Å; F256-T366 HydrophobicContact CZ-CG2 3.79Å; F256-A369 HydrophobicContact CD1-CB 3.83Å; F256-A369 HydrophobicContact CE1-CB 3.74Å; F256-Y370 HydrophobicContact CE1-CE2 4.31Å; F256-Y370 HydrophobicContact CZ-CE2 4.05Å
257G90.3Very high93.4Very high33 Ų3321.7 Ų21.734%0.3411%0.112SC..Hα-helixtrans-56.2-59.6-170.400000114N260 I261G257-N260 PolarHBondContact O-N 2.82Å; G257-I261 PolarHBondContact O-N 2.64Å
258L93.4Very high93.3Very high24 Ų2420 Ų2013%0.12611%0.106CC..Hα-helixtrans-66.4-37.9176.8-80.4173.5000112.3A185 M208 F222 F239 N260 I261 V262A185-L258 HydrophobicContact CB-CD1 3.76Å; M208-L258 HydrophobicContact SD-CD1 3.9Å; M208-L258 HydrophobicContact SD-CG 4.48Å; F222-L258 HydrophobicContact CE1-CD2 3.6Å; F222-L258 HydrophobicContact CZ-CD2 3.78Å; F239-L258 HydrophobicContact CB-CD1 3.75Å; F239-L258 HydrophobicContact CD2-CB 3.87Å; F239-L258 HydrophobicContact CD2-CD1 3.97Å; F239-L258 HydrophobicContact CE1-CB 4.5Å; F239-L258 HydrophobicContact CE2-CB 3.83Å; F239-L258 HydrophobicContact CG-CB 4.22Å; F239-L258 HydrophobicContact CG-CD1 3.89Å; F239-L258 HydrophobicContact CZ-CB 4.17Å; L258-N260 VanDerWaalsContact C-N 3.3Å; L258-N260 PolarHBondContact O-N 2.56Å; L258-I261 HydrophobicContact CD2-CD1 4.41Å; L258-I261 WeakPolarHBondContact O-CB 3.37Å; L258-I261 PolarHBondContact O-N 3.28Å; L258-I261 VanDerWaalsContact O-N 3.08Å; L258-V262 PolarHBondContact O-N 3.27Å
259L95.3Very high93.3Very high1 Ų124.6 Ų24.61%0.00512%0.122CC..Hα-helixtrans-59.6-42179.2-171.163.2000111.6F239 L241 F256 I261 V262 M263 F276 V365 A369F239-L259 HydrophobicContact CE2-CB 4.5Å; F239-L259 HydrophobicContact CZ-CB 4.4Å; F239-L259 HydrophobicContact CZ-CD1 4.21Å; L241-L259 HydrophobicContact CD2-CB 4.37Å; L241-L259 HydrophobicContact CD2-CD1 4.34Å; L241-L259 HydrophobicContact CD2-CD2 4.13Å; F256-L259 PolarHBondContact O-N 2.88Å; L259-I261 VanDerWaalsContact C-N 3.34Å; L259-I261 PolarHBondContact O-N 2.77Å; L259-V262 HydrophobicContact CD1-CG2 4.04Å; L259-V262 WeakPolarHBondContact O-CG2 3.46Å; L259-V262 PolarHBondContact O-N 3.26Å; L259-M263 HydrophobicContact CD1-CG 4.42Å; L259-M263 HydrophobicContact CD1-SD 4.05Å; L259-M263 HydrophobicContact CD2-SD 4.32Å; L259-M263 HydrophobicContact CG-SD 3.73Å; L259-M263 WeakPolarHBondContact O-CB 3.34Å; L259-M263 VanDerWaalsContact O-CG 3.25Å; L259-M263 WeakPolarHBondContact O-CG 3.33Å; L259-M263 PolarHBondContact O-N 3Å; L259-F276 HydrophobicContact CD1-CE1 4.22Å; L259-F276 HydrophobicContact CD1-CE2 4.44Å; L259-F276 HydrophobicContact CD1-CZ 4.03Å; L259-V365 HydrophobicContact CB-CG1 4.31Å; L259-V365 HydrophobicContact CD2-CG1 3.81Å; L259-V365 HydrophobicContact CG-CG1 3.98Å; L259-A369 HydrophobicContact CD2-CB 3.49Å; L259-A369 VanDerWaalsContact CD2-CB 3.49Å
260N93.6Very high93.3Very high25 Ų2527 Ų2713%0.13413%0.132CC..Hα-helixtrans-58-45.2173.4-82.4-42.4000112.2F256 G257 L258 M263 E264 Q357 V365F256-N260 WeakPolarHBondContact O-CB 3.5Å; F256-N260 PolarHBondContact O-N 3.49Å; F256-N260 PolarHBondContact O-ND2 3.16Å; F256-N260 VanDerWaalsContact O-ND2 3.1Å; G257-N260 PolarHBondContact O-N 2.82Å; L258-N260 VanDerWaalsContact C-N 3.3Å; L258-N260 PolarHBondContact O-N 2.56Å; N260-M263 PolarHBondContact O-N 2.96Å; N260-E264 PolarHBondContact O-N 3.1Å; N260-E264 VanDerWaalsContact O-N 3.17Å; N260-Q357 PolarHBondContact OD1-NE2 3.07Å; N260-Q357 PolarHBondContact OD1-OE1 2.66Å; N260-Q357 VanDerWaalsContact OD1-OE1 3.07Å; N260-V365 VanDerWaalsContact OD1-CG1 3.32Å; N260-V365 WeakPolarHBondContact OD1-CG1 3.27Å; N260-V365 WeakPolarHBondContact OD1-CG2 3.42Å
261I94.8Very high93.3Very high4 Ų427.3 Ų27.32%0.02113%0.134CC..Hα-helixtrans-64.5-43.6-179.5-63.4166.6000110.6W219 F222 V226 K227 G257 L258 L259 M263 E264 P265W219-I261 HydrophobicContact CH2-CD1 3.56Å; W219-I261 HydrophobicContact CH2-CG1 3.9Å; W219-I261 HydrophobicContact CZ2-CD1 4Å; W219-I261 HydrophobicContact CZ2-CG1 3.97Å; W219-I261 HydrophobicContact CZ3-CD1 3.91Å; F222-I261 HydrophobicContact CD1-CD1 3.95Å; F222-I261 HydrophobicContact CE1-CD1 3.92Å; V226-I261 HydrophobicContact CB-CG2 3.72Å; V226-I261 HydrophobicContact CG1-CG2 3.78Å; K227-I261 HydrophobicContact CG-CG2 4.15Å; G257-I261 PolarHBondContact O-N 2.64Å; L258-I261 HydrophobicContact CD2-CD1 4.41Å; L258-I261 WeakPolarHBondContact O-CB 3.37Å; L258-I261 PolarHBondContact O-N 3.28Å; L258-I261 VanDerWaalsContact O-N 3.08Å; L259-I261 VanDerWaalsContact C-N 3.34Å; L259-I261 PolarHBondContact O-N 2.77Å; I261-M263 VanDerWaalsContact C-N 3.34Å; I261-M263 PolarHBondContact O-N 3.26Å; I261-E264 PolarHBondContact O-N 3.02Å; I261-P265 VanDerWaalsContact O-CD 3.26Å; I261-P265 WeakPolarHBondContact O-CD 3.47Å
262V96.8Very high93.3Very high0 Ų032.5 Ų32.50%016%0.156CC..Hα-helixtrans-73.4-23.7-177.8-60.30000113.8V156 V226 L230 F239 L258 L259 F276V156-V262 HydrophobicContact CG2-CB 4.2Å; V156-V262 HydrophobicContact CG2-CG1 4.4Å; V156-V262 HydrophobicContact CG2-CG2 4.49Å; V226-V262 HydrophobicContact CG1-CG1 3.77Å; L230-V262 VanDerWaalsContact CD1-CA 3.47Å; L230-V262 HydrophobicContact CD1-CB 3.58Å; L230-V262 HydrophobicContact CD1-CG1 3.89Å; L230-V262 VanDerWaalsContact CD1-O 3.28Å; L230-V262 WeakPolarHBondContact CD1-O 3.46Å; F239-V262 HydrophobicContact CE1-CG1 3.87Å; F239-V262 HydrophobicContact CE1-CG2 4.02Å; F239-V262 HydrophobicContact CZ-CG2 3.98Å; L258-V262 PolarHBondContact O-N 3.27Å; L259-V262 HydrophobicContact CD1-CG2 4.04Å; L259-V262 WeakPolarHBondContact O-CG2 3.46Å; L259-V262 PolarHBondContact O-N 3.26Å; V262-F276 HydrophobicContact CG2-CE1 4.03Å; V262-F276 HydrophobicContact CG2-CZ 4.38Å
263M95.6Very high93.4Very high0 Ų031.2 Ų31.20%015%0.15CC..Hα-helixtrans-83.2-23.3175.3-68.2170.582.300112.7L259 N260 I261 F266 F267 F276 L333 F364 V365 V368L259-M263 HydrophobicContact CD1-CG 4.42Å; L259-M263 HydrophobicContact CD1-SD 4.05Å; L259-M263 HydrophobicContact CD2-SD 4.32Å; L259-M263 HydrophobicContact CG-SD 3.73Å; L259-M263 WeakPolarHBondContact O-CB 3.34Å; L259-M263 VanDerWaalsContact O-CG 3.25Å; L259-M263 WeakPolarHBondContact O-CG 3.33Å; L259-M263 PolarHBondContact O-N 3Å; N260-M263 PolarHBondContact O-N 2.96Å; I261-M263 VanDerWaalsContact C-N 3.34Å; I261-M263 PolarHBondContact O-N 3.26Å; M263-F266 WeakPolarHBondContact O-CB 3.1Å; M263-F266 PolarHBondContact O-N 3.07Å; M263-F266 VanDerWaalsContact O-N 3.13Å; M263-F267 HydrophobicContact CB-CD2 4.3Å; M263-F267 HydrophobicContact CB-CE1 4.32Å; M263-F267 HydrophobicContact CB-CE2 3.56Å; M263-F267 HydrophobicContact CB-CZ 3.58Å; M263-F267 HydrophobicContact CE-CE1 4.31Å; M263-F267 HydrophobicContact CE-CZ 3.72Å; M263-F267 HydrophobicContact CG-CZ 4.42Å; M263-F267 WeakPolarHBondContact O-CD2 3.4Å; M263-F267 WeakPolarHBondContact O-CG 3.48Å; M263-F267 PolarHBondContact O-N 3.11Å; M263-F267 HydrophobicContact SD-CZ 4.43Å; M263-F276 HydrophobicContact CG-CE2 4.12Å; M263-F276 HydrophobicContact CG-CZ 3.58Å; M263-F276 HydrophobicContact SD-CE2 4.44Å; M263-F276 HydrophobicContact SD-CZ 4.36Å; M263-L333 HydrophobicContact CB-CD2 4.1Å; M263-L333 HydrophobicContact CE-CD1 3.44Å; M263-L333 VanDerWaalsContact CE-CD1 3.44Å; M263-L333 HydrophobicContact CG-CD1 4.32Å; M263-L333 HydrophobicContact CG-CD2 3.93Å; M263-F364 HydrophobicContact CE-CD1 3.65Å; M263-F364 HydrophobicContact CE-CE1 3.31Å; M263-F364 HydrophobicContact CE-CZ 4.28Å; M263-V365 HydrophobicContact CE-CG2 3.97Å; M263-V365 HydrophobicContact SD-CB 4.21Å; M263-V365 HydrophobicContact SD-CG1 3.99Å; M263-V365 HydrophobicContact SD-CG2 3.71Å; M263-V368 HydrophobicContact CE-CB 4.23Å; M263-V368 HydrophobicContact CE-CG1 4.33Å; M263-V368 HydrophobicContact CE-CG2 3.98Å
264E94Very high93.6Very high27 Ų2729.2 Ų29.213%0.12614%0.139CC..Hα-helixtrans-57.3-44.1-175.6-170.3-179-163.300113.9K227 N260 I261 F266 F267 K268K227-E264 HydrophobicContact CD-CB 4.42Å; K227-E264 HydrophobicContact CD-CG 4.45Å; K227-E264 VanDerWaalsContact CD-OE2 3.28Å; K227-E264 WeakPolarHBondContact CD-OE2 3.3Å; K227-E264 IonicContact NZ-OE2 3.74Å; K227-E264 PolarHBondContact NZ-OE2 3.25Å; N260-E264 PolarHBondContact O-N 3.1Å; N260-E264 VanDerWaalsContact O-N 3.17Å; I261-E264 PolarHBondContact O-N 3.02Å; E264-F266 PolarHBondContact O-N 3.45Å; E264-F267 WeakPolarHBondContact O-CB 3.33Å; E264-F267 PolarHBondContact O-N 3.3Å; E264-K268 HydrophobicContact CG-CD 3.97Å; E264-K268 HydrophobicContact CG-CG 4.29Å; E264-K268 PolarHBondContact O-N 2.86Å; E264-K268 WeakPolarHBondContact OE1-CE 3.26Å; E264-K268 IonicContact OE1-NZ 3.69Å; E264-K268 PolarHBondContact OE1-NZ 2.94Å
265P94.4Very high93.8Very high0 Ų030.7 Ų30.70%015%0.145CC..Hα-helixtrans-56.8-34.3177-28.837.3000113.6K227 L230 I261 R269 E270 V271K227-P265 HydrophobicContact CB-CG 4.03Å; K227-P265 HydrophobicContact CD-CG 4.39Å; K227-P265 HydrophobicContact CG-CG 3.78Å; L230-P265 HydrophobicContact CD1-CG 4.34Å; I261-P265 VanDerWaalsContact O-CD 3.26Å; I261-P265 WeakPolarHBondContact O-CD 3.47Å; P265-R269 PolarHBondContact O-N 2.64Å; P265-E270 WeakPolarHBondContact CA-OE2 3.5Å; P265-E270 HydrophobicContact CB-CB 4.23Å; P265-E270 PolarHBondContact O-N 2.98Å; P265-V271 HydrophobicContact CB-CG1 4.19Å; P265-V271 HydrophobicContact CB-CG2 3.93Å; P265-V271 PolarHBondContact O-N 3.39Å
266F94.2Very high94.1Very high2 Ų224.4 Ų24.41%0.00912%0.117CC..Hα-helixtrans-73-40.1176.3166.6-98.4000111.9M263 E264 R269 V271 L333 R334 A337 R343M263-F266 WeakPolarHBondContact O-CB 3.1Å; M263-F266 PolarHBondContact O-N 3.07Å; M263-F266 VanDerWaalsContact O-N 3.13Å; E264-F266 PolarHBondContact O-N 3.45Å; F266-R269 PolarHBondContact O-N 3.45Å; F266-V271 HydrophobicContact CB-CG2 4.06Å; F266-L333 HydrophobicContact CB-CD2 3.53Å; F266-L333 HydrophobicContact CB-CG 4.31Å; F266-L333 HydrophobicContact CD1-CD1 4.29Å; F266-L333 HydrophobicContact CD1-CD2 3.59Å; F266-L333 HydrophobicContact CD1-CG 3.55Å; F266-L333 HydrophobicContact CD2-CG 4.49Å; F266-L333 HydrophobicContact CE1-CD2 4.49Å; F266-L333 HydrophobicContact CE1-CG 3.98Å; F266-L333 HydrophobicContact CG-CD2 3.63Å; F266-L333 HydrophobicContact CG-CG 3.85Å; F266-R334 HydrophobicContact CE2-CB 3.7Å; F266-R334 HydrophobicContact CE2-CG 4.05Å; F266-R334 HydrophobicContact CZ-CB 4.08Å; F266-R334 HydrophobicContact CZ-CG 4.35Å; F266-A337 HydrophobicContact CE1-CB 3.62Å; F266-A337 HydrophobicContact CZ-CB 3.89Å; F266-R343 PolarHBondContact O-NH1 2.97Å
267F92.1Very high94.4Very high0 Ų021.3 Ų21.30%010%0.104CC..Hα-helixtrans-62.6-43.3176.3-58.4-31.5000111.6M263 E264 R269 L341 Y346 V361 F364 V365M263-F267 HydrophobicContact CB-CD2 4.3Å; M263-F267 HydrophobicContact CB-CE1 4.32Å; M263-F267 HydrophobicContact CB-CE2 3.56Å; M263-F267 HydrophobicContact CB-CZ 3.58Å; M263-F267 HydrophobicContact CE-CE1 4.31Å; M263-F267 HydrophobicContact CE-CZ 3.72Å; M263-F267 HydrophobicContact CG-CZ 4.42Å; M263-F267 WeakPolarHBondContact O-CD2 3.4Å; M263-F267 WeakPolarHBondContact O-CG 3.48Å; M263-F267 PolarHBondContact O-N 3.11Å; M263-F267 HydrophobicContact SD-CZ 4.43Å; E264-F267 WeakPolarHBondContact O-CB 3.33Å; E264-F267 PolarHBondContact O-N 3.3Å; F267-R269 PolarHBondContact O-N 3.37Å; F267-L341 HydrophobicContact CD1-CD1 4.5Å; F267-L341 HydrophobicContact CD1-CD2 4.1Å; F267-L341 HydrophobicContact CE1-CD1 3.95Å; F267-L341 HydrophobicContact CE1-CD2 4.33Å; F267-L341 HydrophobicContact CZ-CD1 4.37Å; F267-Y346 HydrophobicContact CB-CD2 4.13Å; F267-Y346 HydrophobicContact CB-CE1 4.24Å; F267-Y346 HydrophobicContact CB-CE2 3.75Å; F267-Y346 HydrophobicContact CG-CE2 4.43Å; F267-V361 HydrophobicContact CD2-CG1 4.25Å; F267-V361 HydrophobicContact CE2-CG1 3.71Å; F267-V361 HydrophobicContact CZ-CG1 4.16Å; F267-F364 HydrophobicContact CE1-CD1 4.18Å; F267-F364 HydrophobicContact CE1-CE1 4.01Å; F267-F364 HydrophobicContact CZ-CD1 4.07Å; F267-F364 HydrophobicContact CZ-CE1 4.2Å; F267-V365 HydrophobicContact CE2-CG2 4.32Å; F267-V365 HydrophobicContact CZ-CG2 4.23Å
268K91.4Very high94.8Very high2 Ų219.8 Ų19.81%0.0099%0.088CC..THydrogen-bonded Turntrans-78.21.5176.5-71.8-177.2169.5173.10114.3E79 E264 E270 Y346 R351E79-K268 IonicContact OE2-NZ 2.67Å; E264-K268 HydrophobicContact CG-CD 3.97Å; E264-K268 HydrophobicContact CG-CG 4.29Å; E264-K268 PolarHBondContact O-N 2.86Å; E264-K268 WeakPolarHBondContact OE1-CE 3.26Å; E264-K268 IonicContact OE1-NZ 3.69Å; E264-K268 PolarHBondContact OE1-NZ 2.94Å; K268-E270 HydrophobicContact CB-CG 4Å; K268-E270 PolarHBondContact O-N 3.17Å; K268-Y346 HydrophobicContact CG-CD1 3.88Å; K268-Y346 HydrophobicContact CG-CE1 4.48Å; K268-R351 HydrophobicContact CD-CB 4.46Å; K268-R351 VanDerWaalsContact CE-O 3.29Å; K268-R351 WeakPolarHBondContact CE-O 3.49Å; K268-R351 PolarHBondContact NZ-O 3.05Å; K268-R351 WeakPolarHBondContact O-CD 3.43Å; K268-R351 VanDerWaalsContact O-CZ 3.32Å; K268-R351 PolarHBondContact O-NE 3.5Å
269R91.6Very high95Very high100 Ų10018.7 Ų18.738%0.3778%0.082SC..THydrogen-bonded Turntrans56.934.6-179-50.4179.2-179-169.60.3113.2P265 F266 F267 N344 N347 R351P265-R269 PolarHBondContact O-N 2.64Å; F266-R269 PolarHBondContact O-N 3.45Å; F267-R269 PolarHBondContact O-N 3.37Å; R269-N344 PolarHBondContact NH2-OD1 3.44Å; R269-N347 PolarHBondContact NH2-ND2 3.07Å; R269-R351 PolarHBondContact O-NH1 3.38Å
270E91.8Very high95.1Very high58 Ų5818.6 Ų18.627%0.2718%0.082SC..SBendtrans-83.1-29.1171.2-57.7-176.7121.300111.3R231 P265 K268R231-E270 HydrophobicContact CG-CB 4.2Å; R231-E270 IonicContact NH1-OE1 2.7Å; R231-E270 PolarHBondContact NH1-OE1 3.45Å; P265-E270 WeakPolarHBondContact CA-OE2 3.5Å; P265-E270 HydrophobicContact CB-CB 4.23Å; P265-E270 PolarHBondContact O-N 2.98Å; K268-E270 HydrophobicContact CB-CG 4Å; K268-E270 PolarHBondContact O-N 3.17Å
271V93.2Very high95.2Very high12 Ų1217.6 Ų17.67%0.0738%0.076CC..SBendtrans-121.8149.5170.3-58.30000109.9P154 R231 P265 F266P154-V271 HydrophobicContact CG-CG1 4.36Å; R231-V271 HydrophobicContact CG-CG1 4.36Å; P265-V271 HydrophobicContact CB-CG1 4.19Å; P265-V271 HydrophobicContact CB-CG2 3.93Å; P265-V271 PolarHBondContact O-N 3.39Å; F266-V271 HydrophobicContact CB-CG2 4.06Å
272F93.1Very high95.2Very high119 Ų11917.5 Ų17.552%0.5228%0.076SC..SBendtrans-71.8-43.9-179.6-178.7-97000112H153H153-F272 AromaticContact CE1-CD1 3.47Å; H153-F272 VanDerWaalsContact CE1-CD1 3.47Å; H153-F272 WeakPolarHBondContact CE1-CD1 3.31Å; H153-F272 AromaticContact NE2-CD1 3.86Å
273D95.4Very high95.1Very high6 Ų617.7 Ų17.73%0.0328%0.077CC..  trans-153.3163.8177.1-159.2-0.1000109.3S332 L333 R334D273-S332 PolarHBondContact OD1-OG 2.85Å; D273-S332 WeakPolarHBondContact OD2-CB 3.45Å; D273-S332 PolarHBondContact OD2-OG 3.43Å; D273-L333 PolarHBondContact OD1-N 3.23Å; D273-R334 HydrophobicContact CB-CB 4.12Å; D273-R334 VanDerWaalsContact OD1-CB 3.29Å; D273-R334 WeakPolarHBondContact OD1-CB 3.28Å; D273-R334 PolarHBondContact OD1-N 3.25Å; D273-R334 WeakPolarHBondContact OD2-CB 3.46Å
274T97Very high95Very high0 Ų019 Ų190%08%0.084CC..  trans-136.1131.7172.4-58.30000107.6P154 V156 F276 L333P154-T274 WeakPolarHBondContact O-CA 3.3Å; V156-T274 HydrophobicContact CG2-CG2 3.89Å; T274-F276 HydrophobicContact CG2-CE1 4.13Å; T274-L333 VanDerWaalsContact O-CB 3.28Å; T274-L333 WeakPolarHBondContact O-CB 3.23Å; T274-L333 PolarHBondContact O-N 3.28Å
275Y97.9Very high95Very high34 Ų3418.3 Ų18.313%0.1338%0.08CC..EExtended strand (participates in β ladder)trans-94.1126.8176.1-72.1-46.4000111.8A149 E152 H153 P154 V156 P330A149-Y275 HydrophobicContact CB-CD2 3.66Å; A149-Y275 HydrophobicContact CB-CE2 4.2Å; A149-Y275 HydrophobicContact CB-CG 4.35Å; E152-Y275 HydrophobicContact CB-CE2 4.09Å; E152-Y275 PolarHBondContact OE2-OH 2.91Å; H153-Y275 HydrophobicContact CB-CD2 3.82Å; H153-Y275 HydrophobicContact CB-CE2 3.85Å; H153-Y275 AromaticContact CD2-CE2 3.61Å; H153-Y275 AromaticContact CD2-CZ 3.66Å; P154-Y275 PolarHBondContact O-N 2.92Å; V156-Y275 PolarHBondContact N-O 3.06Å; Y275-P330 HydrophobicContact CD1-CB 4.33Å; Y275-P330 HydrophobicContact CG-CB 4.2Å
276F98.6Very high94.8Very high0 Ų019.4 Ų19.40%09%0.086CC..EExtended strand (participates in β ladder)trans-95.8119.9168.9-63.9-43.4000110V156 L158 L259 V262 M263 T274 P278 V331 L333 V368 I372V156-F276 HydrophobicContact CB-CD1 3.73Å; V156-F276 HydrophobicContact CB-CE1 3.97Å; V156-F276 HydrophobicContact CG1-CD1 3.96Å; V156-F276 HydrophobicContact CG1-CE1 4.15Å; V156-F276 HydrophobicContact CG2-CD1 4.36Å; V156-F276 HydrophobicContact CG2-CE1 4.12Å; L158-F276 HydrophobicContact CD1-CB 3.93Å; L158-F276 HydrophobicContact CD1-CD1 3.96Å; L158-F276 HydrophobicContact CD1-CG 4.08Å; L259-F276 HydrophobicContact CD1-CE1 4.22Å; L259-F276 HydrophobicContact CD1-CE2 4.44Å; L259-F276 HydrophobicContact CD1-CZ 4.03Å; V262-F276 HydrophobicContact CG2-CE1 4.03Å; V262-F276 HydrophobicContact CG2-CZ 4.38Å; M263-F276 HydrophobicContact CG-CE2 4.12Å; M263-F276 HydrophobicContact CG-CZ 3.58Å; M263-F276 HydrophobicContact SD-CE2 4.44Å; M263-F276 HydrophobicContact SD-CZ 4.36Å; T274-F276 HydrophobicContact CG2-CE1 4.13Å; F276-P278 WeakPolarHBondContact O-CD 3.22Å; F276-V331 HydrophobicContact CB-CB 4.39Å; F276-V331 PolarHBondContact N-O 3.5Å; F276-V331 PolarHBondContact O-N 2.92Å; F276-L333 HydrophobicContact CE2-CB 4.14Å; F276-L333 HydrophobicContact CE2-CD1 4.03Å; F276-L333 HydrophobicContact CE2-CD2 4.32Å; F276-L333 HydrophobicContact CE2-CG 4.39Å; F276-L333 HydrophobicContact CZ-CD2 4.15Å; F276-V368 HydrophobicContact CD2-CG1 4Å; F276-V368 HydrophobicContact CE2-CG1 3.89Å; F276-I372 HydrophobicContact CB-CD1 3.83Å; F276-I372 HydrophobicContact CB-CG1 4.45Å
277V98.4Very high94.5Very high1 Ų121.4 Ų21.41%0.00610%0.096CC..EExtended strand (participates in β ladder)trans-106.2104.3179.8-175.50000108.6L146 V155 V156 L157 L158 I279 F327 P330L146-V277 HydrophobicContact CD1-CG2 4.11Å; V155-V277 HydrophobicContact CG1-CG2 3.75Å; V156-V277 PolarHBondContact O-N 3.12Å; L157-V277 HydrophobicContact CD2-CB 4.08Å; L157-V277 HydrophobicContact CD2-CG2 4.34Å; L158-V277 PolarHBondContact N-O 3.44Å; V277-I279 HydrophobicContact CG1-CD1 4.36Å; V277-I279 HydrophobicContact CG1-CG1 4.01Å; V277-I279 PolarHBondContact O-N 2.85Å; V277-F327 HydrophobicContact CG1-CD1 4.39Å; V277-P330 HydrophobicContact CG2-CB 4.12Å; V277-P330 HydrophobicContact CG2-CG 4.19Å
278P98.1Very high94.4Very high1 Ų122.1 Ų22.11%0.00610%0.1CC..EExtended strand (participates in β ladder)trans-68.9127.9172.826.9-30000109.4F276 G328 D329 I372 L375 Q376F276-P278 WeakPolarHBondContact O-CD 3.22Å; P278-G328 WeakPolarHBondContact O-CA 3.29Å; P278-G328 PolarHBondContact O-N 2.98Å; P278-D329 WeakPolarHBondContact CD-O 3.3Å; P278-I372 HydrophobicContact CB-CG2 4.1Å; P278-L375 HydrophobicContact CB-CB 3.94Å; P278-L375 HydrophobicContact CG-CB 3.92Å; P278-L375 HydrophobicContact CG-CD1 4.13Å; P278-Q376 HydrophobicContact CB-CG 4.05Å
279I98.3Very high94.2Very high0 Ų022.7 Ų22.70%010%0.103CC..EExtended strand (participates in β ladder)trans-125.3132.1179.7-59159.8000109.2L157 L158 P159 S160 L170 V277 I281 V325 Y326 F327L157-I279 HydrophobicContact CB-CD1 3.93Å; L157-I279 HydrophobicContact CD2-CD1 4.1Å; L157-I279 HydrophobicContact CG-CD1 4.48Å; L158-I279 PolarHBondContact O-N 3.25Å; P159-I279 CarbonylContact C-O 3.52Å; P159-I279 VanDerWaalsContact CA-O 3.3Å; P159-I279 WeakPolarHBondContact CA-O 3.43Å; P159-I279 HydrophobicContact CB-CB 4.18Å; P159-I279 HydrophobicContact CB-CG2 4.38Å; S160-I279 PolarHBondContact N-O 3.32Å; L170-I279 HydrophobicContact CD1-CD1 3.92Å; L170-I279 HydrophobicContact CD2-CD1 3.78Å; V277-I279 HydrophobicContact CG1-CD1 4.36Å; V277-I279 HydrophobicContact CG1-CG1 4.01Å; V277-I279 PolarHBondContact O-N 2.85Å; I279-I281 HydrophobicContact CG2-CG1 4.33Å; I279-V325 HydrophobicContact CG2-CG1 3.94Å; I279-Y326 WeakPolarHBondContact CA-O 3.41Å; I279-F327 HydrophobicContact CD1-CD1 3.88Å; I279-F327 HydrophobicContact CD1-CE1 3.77Å; I279-F327 HydrophobicContact CG1-CD1 3.8Å; I279-F327 HydrophobicContact CG1-CE1 4.15Å; I279-F327 HydrophobicContact CG1-CG 4.42Å
280S96.3Very high94Very high0 Ų020.9 Ų20.90%010%0.102CC..EExtended strand (participates in β ladder)trans-112.4128.2178-56.10000109.4V325 Y326 Q376 N379S280-V325 WeakPolarHBondContact O-CA 3.43Å; S280-Y326 PolarHBondContact N-O 2.7Å; S280-Y326 PolarHBondContact O-N 3.49Å; S280-Q376 VanDerWaalsContact OG-C 3.28Å; S280-Q376 VanDerWaalsContact OG-CA 3.24Å; S280-Q376 WeakPolarHBondContact OG-CA 3.25Å; S280-Q376 PolarHBondContact OG-O 3.38Å; S280-N379 WeakPolarHBondContact CB-O 3.19Å
281I96.4Very high93.8Very high4 Ų420.4 Ų20.42%0.02110%0.101CC..EExtended strand (participates in β ladder)trans-117.1117.3178.2-50.2176.1000107.9P159 S160 D166 I279 Y283 I323 V325P159-I281 HydrophobicContact CB-CD1 4.21Å; S160-I281 PolarHBondContact OG-N 2.86Å; D166-I281 HydrophobicContact CB-CD1 3.9Å; I279-I281 HydrophobicContact CG2-CG1 4.33Å; I281-Y283 HydrophobicContact CB-CE2 4.21Å; I281-Y283 HydrophobicContact CG2-CD2 4.16Å; I281-Y283 HydrophobicContact CG2-CE1 4.42Å; I281-Y283 HydrophobicContact CG2-CE2 3.39Å; I281-I323 HydrophobicContact CG2-CG2 3.96Å; I281-V325 HydrophobicContact CG1-CG1 4.47Å; I281-V325 HydrophobicContact CG2-CG2 4.42Å
282S95.3Very high93.6Very high1 Ų120 Ų201%0.00710%0.099CC..EExtended strand (participates in β ladder)trans-116.5134.2-177-38.60000109.3I323 H324 L380 A381S282-I323 CarbonylContact O-C 3.56Å; S282-I323 WeakPolarHBondContact O-CA 3.1Å; S282-H324 PolarHBondContact N-O 3.03Å; S282-H324 PolarHBondContact O-N 2.93Å; S282-L380 WeakPolarHBondContact OG-CD1 3.49Å; S282-A381 WeakPolarHBondContact CB-O 3.45Å; S282-A381 PolarHBondContact OG-N 2.98Å; S282-A381 PolarHBondContact OG-O 2.99Å
283Y94.6Very high93.5Very high5 Ų514.4 Ų14.42%0.028%0.075CC..EExtended strand (participates in β ladder)trans-120.1136.7-175.7-66.4-91.8000109.3R162 I165 D166 I281 I286 I323 N383R162-Y283 HydrophobicContact CB-CD2 4.36Å; R162-Y283 HydrophobicContact CB-CE2 4.17Å; I165-Y283 HydrophobicContact CD1-CE1 4.07Å; I165-Y283 HydrophobicContact CG1-CE1 4.27Å; D166-Y283 WeakPolarHBondContact OD1-CE2 3.41Å; D166-Y283 PolarHBondContact OD1-OH 3.3Å; I281-Y283 HydrophobicContact CB-CE2 4.21Å; I281-Y283 HydrophobicContact CG2-CD2 4.16Å; I281-Y283 HydrophobicContact CG2-CE1 4.42Å; I281-Y283 HydrophobicContact CG2-CE2 3.39Å; Y283-I286 HydrophobicContact CD1-CG2 4.45Å; Y283-I286 HydrophobicContact CD2-CG2 3.89Å; Y283-I286 HydrophobicContact CG-CG2 3.77Å; Y283-I323 HydrophobicContact CD1-CD1 3.78Å; Y283-I323 HydrophobicContact CD1-CG1 3.65Å; Y283-I323 HydrophobicContact CD1-CG2 4.42Å; Y283-I323 HydrophobicContact CE1-CD1 3.41Å; Y283-I323 VanDerWaalsContact CE1-CD1 3.41Å; Y283-I323 HydrophobicContact CE1-CG1 3.8Å; Y283-I323 HydrophobicContact CE1-CG2 4.21Å; Y283-N383 VanDerWaalsContact C-ND2 3.33Å; Y283-N383 PolarHBondContact O-ND2 3.46Å; Y283-N383 VanDerWaalsContact O-ND2 3.13Å
284D93.9Very high93.2Very high27 Ų2717.9 Ų17.914%0.1449%0.088CC..SBendtrans-62.8-51.8164.6-65.7-0.7000109.2S322 N383 L440 H441 Y480D284-S322 VanDerWaalsContact CG-N 3.31Å; D284-S322 PolarHBondContact N-O 2.87Å; D284-S322 WeakPolarHBondContact OD2-CB 3.47Å; D284-S322 PolarHBondContact OD2-N 3.12Å; D284-N383 VanDerWaalsContact CA-ND2 3.26Å; D284-N383 WeakPolarHBondContact CA-ND2 3.26Å; D284-N383 PolarHBondContact N-ND2 2.83Å; D284-N383 PolarHBondContact OD1-ND2 3.07Å; D284-N383 PolarHBondContact OD1-OD1 3.39Å; D284-L440 HydrophobicContact CB-CD2 3.62Å; D284-H441 PolarHBondContact O-CE1 3.49Å; D284-H441 PolarHBondContact O-NE2 3.48Å; D284-Y480 WeakPolarHBondContact O-CE1 3.48Å
285K92.5Very high92.9Very high12 Ų1219.2 Ų19.25%0.0529%0.094CC..SBendtrans-137.1128176-169.3-176.9-176.9-174.30110.8E289 E318 F320K285-E289 WeakPolarHBondContact CE-OE1 3.47Å; K285-E289 IonicContact NZ-OE1 2.97Å; K285-E318 IonicContact NZ-OE2 3.41Å; K285-F320 HydrophobicContact CB-CB 4.35Å; K285-F320 HydrophobicContact CB-CD1 4.08Å; K285-F320 HydrophobicContact CD-CD1 3.87Å; K285-F320 HydrophobicContact CD-CE1 4.19Å; K285-F320 HydrophobicContact CG-CD1 3.88Å; K285-F320 HydrophobicContact CG-CE1 4.38Å; K285-F320 PolarHBondContact N-O 3.3Å
286I91.6Very high92.5Very high23 Ų2317.8 Ų17.812%0.1189%0.089CC..  trans-84.2148.1173.760.2166.3000110.8Y283 E288 E289 Y292Y283-I286 HydrophobicContact CD1-CG2 4.45Å; Y283-I286 HydrophobicContact CD2-CG2 3.89Å; Y283-I286 HydrophobicContact CG-CG2 3.77Å; I286-E288 PolarHBondContact O-N 2.91Å; I286-E289 HydrophobicContact CD1-CB 4.1Å; I286-E289 HydrophobicContact CG1-CB 3.71Å; I286-Y292 HydrophobicContact CD1-CD2 3.53Å; I286-Y292 HydrophobicContact CD1-CE2 3.63Å
287L87.9Confident92.1Very high44 Ų4418.8 Ų18.823%0.239%0.094CC..THydrogen-bonded Turntrans-67-27.8179.8-75.371.6000112I132 F133 I165 I315 F320I132-L287 HydrophobicContact CD1-CD1 4.5Å; I132-L287 HydrophobicContact CD1-CD2 4.22Å; F133-L287 HydrophobicContact CE1-CD1 4.27Å; F133-L287 HydrophobicContact CZ-CD1 3.8Å; I165-L287 HydrophobicContact CD1-CD1 4.3Å; L287-I315 HydrophobicContact CD2-CG2 3.88Å; L287-I315 HydrophobicContact CG-CG2 4.18Å; L287-F320 HydrophobicContact CB-CE1 4.33Å; L287-F320 HydrophobicContact CD1-CD1 4.1Å; L287-F320 HydrophobicContact CD1-CE1 4.39Å; L287-F320 HydrophobicContact CD1-CG 4.34Å; L287-F320 HydrophobicContact CG-CD1 4.21Å; L287-F320 HydrophobicContact CG-CE1 3.99Å; L287-F320 HydrophobicContact CG-CZ 4.14Å
288E88.9Confident91.5Very high15 Ų1520.6 Ų20.67%0.0711%0.113CC..THydrogen-bonded Turntrans-99.25.8-170.4-56.283.8175.700114.7S163 Y164 I286 T290 L291 Y292S163-E288 VanDerWaalsContact OG-CD 3.25Å; S163-E288 PolarHBondContact OG-OE1 2.82Å; S163-E288 PolarHBondContact OG-OE2 3.32Å; Y164-E288 WeakPolarHBondContact CB-OE1 3.38Å; Y164-E288 HydrophobicContact CD2-CG 3.61Å; Y164-E288 VanDerWaalsContact CD2-OE1 3.23Å; Y164-E288 WeakPolarHBondContact CD2-OE1 3.4Å; Y164-E288 HydrophobicContact CE2-CG 4.07Å; Y164-E288 PolarHBondContact N-OE1 3.22Å; I286-E288 PolarHBondContact O-N 2.91Å; E288-T290 VanDerWaalsContact C-N 3.32Å; E288-T290 PolarHBondContact O-N 3.35Å; E288-L291 WeakPolarHBondContact O-CA 3.2Å; E288-L291 WeakPolarHBondContact O-CB 3.31Å; E288-L291 PolarHBondContact O-N 2.92Å; E288-Y292 HydrophobicContact CB-CD1 3.95Å; E288-Y292 HydrophobicContact CB-CD2 4.05Å; E288-Y292 HydrophobicContact CB-CE1 3.62Å; E288-Y292 HydrophobicContact CB-CE2 3.72Å; E288-Y292 HydrophobicContact CB-CG 4.17Å; E288-Y292 VanDerWaalsContact CB-CZ 3.48Å; E288-Y292 HydrophobicContact CG-CE1 4.2Å; E288-Y292 PolarHBondContact O-N 3.19Å
289E87.5Confident90.8Very high15 Ų1523.7 Ų23.77%0.0713%0.129CC..Hα-helixtrans-50.8-48.3-170.654.5177-170.300113.4K285 I286 Y292 A293 N443 M476 Y480K285-E289 WeakPolarHBondContact CE-OE1 3.47Å; K285-E289 IonicContact NZ-OE1 2.97Å; I286-E289 HydrophobicContact CD1-CB 4.1Å; I286-E289 HydrophobicContact CG1-CB 3.71Å; E289-Y292 PolarHBondContact O-N 2.88Å; E289-A293 PolarHBondContact O-N 2.88Å; E289-N443 PolarHBondContact OE1-ND2 3.32Å; E289-M476 HydrophobicContact CB-CG 4.44Å; E289-M476 HydrophobicContact CB-SD 4.08Å; E289-M476 HydrophobicContact CG-SD 3.94Å; E289-Y480 WeakPolarHBondContact OE2-CE2 3.2Å; E289-Y480 PolarHBondContact OE2-OH 2.94Å
290T87.2Confident89.6Confident61 Ų6129 Ų2937%0.37416%0.163SC..Hα-helixtrans-65.7-43.2179.2-55.10000111.3E288 Y292 A293 Y294E288-T290 VanDerWaalsContact C-N 3.32Å; E288-T290 PolarHBondContact O-N 3.35Å; T290-Y292 VanDerWaalsContact C-N 3.33Å; T290-Y292 PolarHBondContact O-N 3.23Å; T290-A293 PolarHBondContact O-N 3.16Å; T290-Y294 HydrophobicContact CG2-CD2 3.93Å; T290-Y294 HydrophobicContact CG2-CE2 3.6Å; T290-Y294 WeakPolarHBondContact O-CD2 3.49Å; T290-Y294 PolarHBondContact O-N 3.44Å; T290-Y294 VanDerWaalsContact O-N 3.09Å
291L87.3Confident88.2Confident48 Ų4832.2 Ų32.225%0.25118%0.178SC..Hα-helixtrans-62.6-42.3178.7175.865.4000110.9E288 Y294 E295 P302E288-L291 WeakPolarHBondContact O-CA 3.2Å; E288-L291 WeakPolarHBondContact O-CB 3.31Å; E288-L291 PolarHBondContact O-N 2.92Å; L291-Y294 WeakPolarHBondContact O-CB 3.26Å; L291-Y294 PolarHBondContact O-N 3.44Å; L291-E295 WeakPolarHBondContact O-CG 3.48Å; L291-E295 PolarHBondContact O-N 3.29Å; L291-P302 HydrophobicContact CD1-CG 4.1Å
292Y90.6Very high86.6Confident3 Ų335.9 Ų35.91%0.01220%0.202CC..Hα-helixtrans-64.4-41.3177.5-68.1-14.7000111.8R162 R245 R247 I286 E288 E289 T290 Y294 E295 L296R162-Y292 VanDerWaalsContact O-CE2 3.24Å; R162-Y292 WeakPolarHBondContact O-CE2 3.48Å; R162-Y292 PolarHBondContact O-OH 3.12Å; R245-Y292 PolarHBondContact NH1-OH 2.95Å; R247-Y292 HydrophobicContact CB-CG 4.29Å; R247-Y292 HydrophobicContact CG-CD1 3.79Å; R247-Y292 HydrophobicContact CG-CE1 4.45Å; R247-Y292 HydrophobicContact CG-CG 3.91Å; I286-Y292 HydrophobicContact CD1-CD2 3.53Å; I286-Y292 HydrophobicContact CD1-CE2 3.63Å; E288-Y292 HydrophobicContact CB-CD1 3.95Å; E288-Y292 HydrophobicContact CB-CD2 4.05Å; E288-Y292 HydrophobicContact CB-CE1 3.62Å; E288-Y292 HydrophobicContact CB-CE2 3.72Å; E288-Y292 HydrophobicContact CB-CG 4.17Å; E288-Y292 VanDerWaalsContact CB-CZ 3.48Å; E288-Y292 HydrophobicContact CG-CE1 4.2Å; E288-Y292 PolarHBondContact O-N 3.19Å; E289-Y292 PolarHBondContact O-N 2.88Å; T290-Y292 VanDerWaalsContact C-N 3.33Å; T290-Y292 PolarHBondContact O-N 3.23Å; Y292-Y294 VanDerWaalsContact C-N 3.32Å; Y292-Y294 PolarHBondContact O-N 3.44Å; Y292-E295 PolarHBondContact O-N 2.91Å; Y292-L296 VanDerWaalsContact O-CG 3.31Å; Y292-L296 WeakPolarHBondContact O-CG 3.49Å; Y292-L296 PolarHBondContact O-N 3.36Å
293A90.1Very high84.8Confident3 Ų345.3 Ų45.33%0.02524%0.242CC..Hα-helixtrans-60-40.717400000112.4E289 T290 L296 L297 I472 L475 M476E289-A293 PolarHBondContact O-N 2.88Å; T290-A293 PolarHBondContact O-N 3.16Å; A293-L296 PolarHBondContact O-N 3.12Å; A293-L297 WeakPolarHBondContact O-CG 3.44Å; A293-L297 PolarHBondContact O-N 3.19Å; A293-I472 HydrophobicContact CB-CB 4.45Å; A293-I472 HydrophobicContact CB-CG2 3.93Å; A293-L475 HydrophobicContact CB-CB 4.36Å; A293-M476 HydrophobicContact CB-CG 3.75Å
294Y89.1Confident83.1Confident79 Ų7948.2 Ų48.231%0.3126%0.256SS..Hα-helixtrans-61.6-46.9172.2-79.8-68.5000112.4T290 L291 Y292 L296 L297 G298 I299 V468 I472T290-Y294 HydrophobicContact CG2-CD2 3.93Å; T290-Y294 HydrophobicContact CG2-CE2 3.6Å; T290-Y294 WeakPolarHBondContact O-CD2 3.49Å; T290-Y294 PolarHBondContact O-N 3.44Å; T290-Y294 VanDerWaalsContact O-N 3.09Å; L291-Y294 WeakPolarHBondContact O-CB 3.26Å; L291-Y294 PolarHBondContact O-N 3.44Å; Y292-Y294 VanDerWaalsContact C-N 3.32Å; Y292-Y294 PolarHBondContact O-N 3.44Å; Y294-L296 VanDerWaalsContact C-N 3.3Å; Y294-L296 PolarHBondContact O-N 2.97Å; Y294-L297 PolarHBondContact O-N 3.35Å; Y294-L297 VanDerWaalsContact O-N 3.16Å; Y294-G298 PolarHBondContact O-N 2.88Å; Y294-I299 HydrophobicContact CD1-CD1 3.56Å; Y294-I299 HydrophobicContact CE1-CD1 4.18Å; Y294-I299 WeakPolarHBondContact O-CB 3.49Å; Y294-I299 PolarHBondContact O-N 3.5Å; Y294-I299 VanDerWaalsContact O-N 3.11Å; Y294-V468 HydrophobicContact CE1-CG1 4.4Å; Y294-I472 HydrophobicContact CD1-CD1 3.76Å; Y294-I472 HydrophobicContact CD1-CG1 4.4Å; Y294-I472 HydrophobicContact CE1-CD1 3.23Å; Y294-I472 HydrophobicContact CE1-CG1 4.31Å; Y294-I472 HydrophobicContact CE2-CD1 4.09Å; Y294-I472 HydrophobicContact CG-CD1 4.4Å
295E89.6Confident81.4Confident27 Ų2749.4 Ų49.413%0.12627%0.267CS..Hα-helixtrans-60.7-39.1177.4-73.4-176.5-161.600111.6R247 L291 Y292 L297 G298 K301R247-E295 HydrophobicContact CG-CB 4.31Å; R247-E295 IonicContact CZ-OE2 2.76Å; R247-E295 VanDerWaalsContact CZ-OE2 3.3Å; R247-E295 IonicContact NE-OE2 2.68Å; R247-E295 PolarHBondContact NE-OE2 3.22Å; R247-E295 IonicContact NH2-OE2 3.61Å; R247-E295 PolarHBondContact NH2-OE2 3.28Å; L291-E295 WeakPolarHBondContact O-CG 3.48Å; L291-E295 PolarHBondContact O-N 3.29Å; Y292-E295 PolarHBondContact O-N 2.91Å; E295-L297 VanDerWaalsContact C-N 3.29Å; E295-L297 PolarHBondContact O-N 2.73Å; E295-G298 WeakPolarHBondContact O-CA 3.48Å; E295-G298 PolarHBondContact O-N 3.49Å; E295-K301 HydrophobicContact CG-CB 4.46Å; E295-K301 WeakPolarHBondContact OE1-CG 3.37Å
296L91Very high79.3Confident4 Ų454.1 Ų54.12%0.02130%0.297CS..Hα-helixtrans-62.5-35.5176.1-71.5177.2000112.1R247 Y292 A293 Y294 G298 L475 S624 D625R247-L296 HydrophobicContact CB-CD1 4.37Å; R247-L296 HydrophobicContact CB-CD2 3.65Å; R247-L296 HydrophobicContact CB-CG 3.87Å; Y292-L296 VanDerWaalsContact O-CG 3.31Å; Y292-L296 WeakPolarHBondContact O-CG 3.49Å; Y292-L296 PolarHBondContact O-N 3.36Å; A293-L296 PolarHBondContact O-N 3.12Å; Y294-L296 VanDerWaalsContact C-N 3.3Å; Y294-L296 PolarHBondContact O-N 2.97Å; L296-G298 PolarHBondContact O-N 3.09Å; L296-L475 HydrophobicContact CB-CD1 4.28Å; L296-S624 VanDerWaalsContact O-CB 3.3Å; L296-S624 WeakPolarHBondContact O-CB 3.25Å; L296-S624 PolarHBondContact O-N 3.39Å; L296-S624 PolarHBondContact O-OG 2.96Å; L296-D625 HydrophobicContact CD2-CB 3.87Å; L296-D625 WeakPolarHBondContact CD2-OD2 3.37Å
297L89.8Confident77.3Confident21 Ų2157.5 Ų57.511%0.1132%0.318CS..THydrogen-bonded Turntrans-75.54173.6-66.9174.4000113.7A293 Y294 E295 I299 V468 H471 I472 L475 R604 L622A293-L297 WeakPolarHBondContact O-CG 3.44Å; A293-L297 PolarHBondContact O-N 3.19Å; Y294-L297 PolarHBondContact O-N 3.35Å; Y294-L297 VanDerWaalsContact O-N 3.16Å; E295-L297 VanDerWaalsContact C-N 3.29Å; E295-L297 PolarHBondContact O-N 2.73Å; L297-I299 VanDerWaalsContact C-N 3.31Å; L297-V468 HydrophobicContact CD1-CG1 4.02Å; L297-H471 HydrophobicContact CD1-CB 4.41Å; L297-H471 HydrophobicContact CD2-CB 4.39Å; L297-I472 HydrophobicContact CD1-CG1 3.66Å; L297-L475 HydrophobicContact CD1-CD1 4.38Å; L297-L475 HydrophobicContact CD2-CD1 3.58Å; L297-L475 HydrophobicContact CG-CD1 3.73Å; L297-R604 WeakPolarHBondContact O-CD 3.5Å; L297-R604 VanDerWaalsContact O-CZ 3.3Å; L297-R604 PolarHBondContact O-NE 3.43Å; L297-R604 VanDerWaalsContact O-NE 3.16Å; L297-R604 PolarHBondContact O-NH1 2.87Å; L297-R604 VanDerWaalsContact O-NH1 3.12Å; L297-L622 HydrophobicContact CD2-CB 3.86Å; L297-L622 HydrophobicContact CD2-CD1 4.27Å
298G84.9Confident75.8Confident40 Ų4057.3 Ų57.341%0.41233%0.327SS..THydrogen-bonded Turntrans79.512.6178.600000113.9Y294 E295 L296Y294-G298 PolarHBondContact O-N 2.88Å; E295-G298 WeakPolarHBondContact O-CA 3.48Å; E295-G298 PolarHBondContact O-N 3.49Å; L296-G298 PolarHBondContact O-N 3.09Å
299I83.9Confident74.1Confident65 Ų6561.8 Ų61.833%0.33335%0.351SS..PPolyproline II helixtrans-74.3123.1172.8-68.1165.4000107.3Y294 L297 K301 V468Y294-I299 HydrophobicContact CD1-CD1 3.56Å; Y294-I299 HydrophobicContact CE1-CD1 4.18Å; Y294-I299 WeakPolarHBondContact O-CB 3.49Å; Y294-I299 PolarHBondContact O-N 3.5Å; Y294-I299 VanDerWaalsContact O-N 3.11Å; L297-I299 VanDerWaalsContact C-N 3.31Å; I299-K301 PolarHBondContact O-N 3Å; I299-V468 HydrophobicContact CD1-CG1 4.25Å
300P72.9Confident72.2Confident111 Ų11166.7 Ų66.772%0.72138%0.377SS*.PPolyproline II helixtrans-63.5140.4-172.424.9-33.6000110.8
301K66.8Low70.7Confident69 Ų6971.9 Ų71.930%0.339%0.394SS..PPolyproline II helixtrans-54.1129.6175.6-177.8-175.3168.6-167.40110.1Y164 E295 I299 K303 E304Y164-K301 WeakPolarHBondContact OH-CE 3.34Å; Y164-K301 PolarHBondContact OH-NZ 3.3Å; E295-K301 HydrophobicContact CG-CB 4.46Å; E295-K301 WeakPolarHBondContact OE1-CG 3.37Å; I299-K301 PolarHBondContact O-N 3Å; K301-K303 PolarHBondContact O-N 3.24Å; K301-E304 WeakPolarHBondContact CE-OE1 3.48Å; K301-E304 IonicContact NZ-OE1 2.73Å; K301-E304 PolarHBondContact NZ-OE1 3Å
302P63.1Low69.3Low81 Ų8171 Ų7153%0.52639%0.394SS..PPolyproline II helixtrans-61.3139172.126.2-31.9000109.4L291 E304L291-P302 HydrophobicContact CD1-CG 4.1Å; P302-E304 PolarHBondContact O-N 3.22Å
303K58.4Low68.1Low198 Ų19880.3 Ų80.386%0.86143%0.429SS*.PPolyproline II helixtrans-57.9128.1173-69.4-176.3179.7178.90108.3K301 S305K301-K303 PolarHBondContact O-N 3.24Å; K303-S305 PolarHBondContact O-N 2.97Å; K303-S305 VanDerWaalsContact O-N 3.13Å
304E58.3Low67.1Low67 Ų6789 Ų8931%0.31346%0.461SS..PPolyproline II helixtrans-60.1117.6177-68.9176.6-173.900108.3Y164 M193 K301 P302Y164-E304 VanDerWaalsContact CE1-OE1 3.31Å; Y164-E304 WeakPolarHBondContact CE1-OE1 3.5Å; Y164-E304 VanDerWaalsContact CZ-OE1 3.28Å; Y164-E304 PolarHBondContact OH-OE1 3.1Å; M193-E304 HydrophobicContact SD-CB 4.2Å; K301-E304 WeakPolarHBondContact CE-OE1 3.48Å; K301-E304 IonicContact NZ-OE1 2.73Å; K301-E304 PolarHBondContact NZ-OE1 3Å; P302-E304 PolarHBondContact O-N 3.22Å
305S58.1Low66.3Low52 Ų5288 Ų8836%0.36446%0.461SS..  trans-130155.6-174.670.80000110.8K303 T307 G308K303-S305 PolarHBondContact O-N 2.97Å; K303-S305 VanDerWaalsContact O-N 3.13Å; S305-T307 PolarHBondContact O-N 3.06Å; S305-T307 PolarHBondContact OG-N 3.25Å; S305-T307 PolarHBondContact OG-OG1 3.36Å; S305-G308 PolarHBondContact O-N 3.31Å; S305-G308 PolarHBondContact OG-N 2.83Å
306T48.5Very low65.7Low111 Ų11189.6 Ų89.668%0.68147%0.47SS*.Hα-helixtrans-61.3-22.1171.646.60000112.9L309T306-L309 WeakPolarHBondContact O-CB 3.31Å; T306-L309 PolarHBondContact O-N 2.93Å
307T49.5Very low64.9Low94 Ų9493.7 Ų93.758%0.57750%0.499SS*.Hα-helixtrans-72.6-26.4171.742.80000113.2S305 L309 L310S305-T307 PolarHBondContact O-N 3.06Å; S305-T307 PolarHBondContact OG-N 3.25Å; S305-T307 PolarHBondContact OG-OG1 3.36Å; T307-L309 VanDerWaalsContact C-N 3.29Å; T307-L309 PolarHBondContact O-N 3.25Å; T307-L310 PolarHBondContact O-N 3.47Å
308G56.9Low64.6Low40 Ų4095.8 Ų95.841%0.41251%0.508SS..Hα-helixtrans-63.5-33.7170.300000113S305 L310 K311 A312S305-G308 PolarHBondContact O-N 3.31Å; S305-G308 PolarHBondContact OG-N 2.83Å; G308-L310 VanDerWaalsContact C-N 3.26Å; G308-L310 PolarHBondContact O-N 3.44Å; G308-K311 PolarHBondContact O-N 3.42Å; G308-A312 PolarHBondContact O-N 2.74Å
309L51.8Low64.8Low108 Ų10897.9 Ų97.957%0.56551%0.51SS*.Hα-helixtrans-63-26.9174.1-94.6146.6000113.2M193 T306 T307 A312M193-L309 HydrophobicContact CE-CD1 4.13Å; T306-L309 WeakPolarHBondContact O-CB 3.31Å; T306-L309 PolarHBondContact O-N 2.93Å; T307-L309 VanDerWaalsContact C-N 3.29Å; T307-L309 PolarHBondContact O-N 3.25Å; L309-A312 WeakPolarHBondContact O-CB 3.09Å; L309-A312 PolarHBondContact O-N 2.88Å
310L47.9Very low65.2Low118 Ų11895 Ų9562%0.61850%0.495SS*.Hα-helixtrans-75.8-34.3175.2-70.2170000112.3T307 G308 A312 R313T307-L310 PolarHBondContact O-N 3.47Å; G308-L310 VanDerWaalsContact C-N 3.26Å; G308-L310 PolarHBondContact O-N 3.44Å; L310-A312 PolarHBondContact O-N 3.31Å; L310-R313 PolarHBondContact O-N 3.16Å
311K55.3Low66.2Low170 Ų17090 Ų9074%0.73946%0.463SS*.Hα-helixtrans-66.3-20.8170.2-69.2-173.6179.2-177.20112.2G308 R313 R314G308-K311 PolarHBondContact O-N 3.42Å; K311-R313 PolarHBondContact O-N 3.37Å; K311-R313 VanDerWaalsContact O-N 3.16Å; K311-R314 PolarHBondContact O-N 3.14Å; K311-R314 VanDerWaalsContact O-N 3.11Å
312A59.8Low67.6Low30 Ų3087.5 Ų87.525%0.24845%0.454CS..Hα-helixtrans-60.9-21174.700000113.2G308 L309 L310 R314 I315 L316G308-A312 PolarHBondContact O-N 2.74Å; L309-A312 WeakPolarHBondContact O-CB 3.09Å; L309-A312 PolarHBondContact O-N 2.88Å; L310-A312 PolarHBondContact O-N 3.31Å; A312-R314 VanDerWaalsContact C-N 3.27Å; A312-R314 PolarHBondContact O-N 2.85Å; A312-I315 WeakPolarHBondContact O-CB 3.28Å; A312-I315 PolarHBondContact O-N 2.85Å; A312-I315 VanDerWaalsContact O-N 3.14Å; A312-L316 WeakPolarHBondContact O-CG 3.35Å; A312-L316 PolarHBondContact O-N 3.4Å
313R64.8Low69.1Low199 Ų19983.7 Ų83.775%0.75143%0.429SS*.Hα-helixtrans-60-35.5172.9-80.8-176.9161.1172.9-5113.4L310 K311 L316 S317L310-R313 PolarHBondContact O-N 3.16Å; K311-R313 PolarHBondContact O-N 3.37Å; K311-R313 VanDerWaalsContact O-N 3.16Å; R313-L316 PolarHBondContact O-N 2.72Å; R313-S317 PolarHBondContact O-N 3.34Å
314R69.4Low71Confident185 Ų18575 Ų7570%0.69839%0.392SS*.Hα-helixtrans-69.8-39.7174.8-178.7177.3170.6164.11.6111K311 A312 L316 S317 E318K311-R314 PolarHBondContact O-N 3.14Å; K311-R314 VanDerWaalsContact O-N 3.11Å; A312-R314 VanDerWaalsContact C-N 3.27Å; A312-R314 PolarHBondContact O-N 2.85Å; R314-L316 VanDerWaalsContact C-N 3.28Å; R314-L316 PolarHBondContact O-N 3.03Å; R314-S317 PolarHBondContact O-N 2.89Å; R314-S317 PolarHBondContact O-OG 2.92Å; R314-E318 IonicContact NE-OE1 3.25Å; R314-E318 PolarHBondContact O-N 2.85Å
315I72.3Confident72.9Confident58 Ų5871.9 Ų71.930%0.29738%0.377SS..Hα-helixtrans-59.9-41.9174-60.8176.7000110L287 A312 S317 E318 F320L287-I315 HydrophobicContact CD2-CG2 3.88Å; L287-I315 HydrophobicContact CG-CG2 4.18Å; A312-I315 WeakPolarHBondContact O-CB 3.28Å; A312-I315 PolarHBondContact O-N 2.85Å; A312-I315 VanDerWaalsContact O-N 3.14Å; I315-S317 PolarHBondContact O-N 3.13Å; I315-S317 VanDerWaalsContact O-N 3.11Å; I315-E318 PolarHBondContact O-N 2.85Å; I315-F320 HydrophobicContact CG2-CE2 3.72Å; I315-F320 HydrophobicContact CG2-CZ 3.74Å; I315-F320 WeakPolarHBondContact O-CE2 3.21Å
316L75.3Confident74.7Confident61 Ų6169.6 Ų69.632%0.31936%0.361SS..THydrogen-bonded Turntrans-63.6-15.2176.4-66.8174.2000114.1I128 Q131 I132 A312 R313 R314I128-L316 HydrophobicContact CG1-CD2 4.34Å; I128-L316 HydrophobicContact CG2-CD2 4.11Å; Q131-L316 HydrophobicContact CG-CB 4.31Å; Q131-L316 HydrophobicContact CG-CD2 4.45Å; Q131-L316 WeakPolarHBondContact CG-O 3.29Å; Q131-L316 PolarHBondContact NE2-O 3.28Å; I132-L316 HydrophobicContact CG2-CD2 3.72Å; A312-L316 WeakPolarHBondContact O-CG 3.35Å; A312-L316 PolarHBondContact O-N 3.4Å; R313-L316 PolarHBondContact O-N 2.72Å; R314-L316 VanDerWaalsContact C-N 3.28Å; R314-L316 PolarHBondContact O-N 3.03Å
317S75.3Confident77.1Confident90 Ų9064.4 Ų64.463%0.62933%0.329SS*.THydrogen-bonded Turntrans-96.6-3.8175.459.80000114.1R313 R314 I315R313-S317 PolarHBondContact O-N 3.34Å; R314-S317 PolarHBondContact O-N 2.89Å; R314-S317 PolarHBondContact O-OG 2.92Å; I315-S317 PolarHBondContact O-N 3.13Å; I315-S317 VanDerWaalsContact O-N 3.11Å
318E83.4Confident79.3Confident64 Ų6460 Ų6030%0.29930%0.302SS..SBendtrans-96.5148.4178.9-69.7-176.5-153.500111.1K285 R314 I315 F320K285-E318 IonicContact NZ-OE2 3.41Å; R314-E318 IonicContact NE-OE1 3.25Å; R314-E318 PolarHBondContact O-N 2.85Å; I315-E318 PolarHBondContact O-N 2.85Å; E318-F320 HydrophobicContact CB-CD2 4.36Å; E318-F320 HydrophobicContact CB-CE2 3.65Å; E318-F320 HydrophobicContact CB-CZ 4.02Å
319N88.6Confident81.2Confident85 Ų8561.8 Ų61.846%0.45530%0.302SS..  trans-91.5124.3171.8-175.16.1000109.3S134 G321 L440S134-N319 PolarHBondContact OG-OD1 3.5Å; S134-N319 VanDerWaalsContact OG-OD1 3.13Å; N319-G321 PolarHBondContact OD1-N 3.21Å; N319-L440 HydrophobicContact CB-CD1 4.36Å; N319-L440 WeakPolarHBondContact O-CD1 3.31Å
320F92.6Very high83.4Confident5 Ų558.3 Ų58.32%0.02229%0.286CS..  trans-103.97.7177.8-69.3-91.2000113.4I132 F133 K285 L287 I315 E318I132-F320 HydrophobicContact CB-CD2 3.94Å; I132-F320 HydrophobicContact CB-CE2 4.5Å; I132-F320 PolarHBondContact O-N 3.13Å; F133-F320 HydrophobicContact CD1-CB 3.71Å; F133-F320 HydrophobicContact CE1-CB 3.45Å; F133-F320 VanDerWaalsContact CE1-CB 3.45Å; F133-F320 HydrophobicContact CE1-CG 4.32Å; K285-F320 HydrophobicContact CB-CB 4.35Å; K285-F320 HydrophobicContact CB-CD1 4.08Å; K285-F320 HydrophobicContact CD-CD1 3.87Å; K285-F320 HydrophobicContact CD-CE1 4.19Å; K285-F320 HydrophobicContact CG-CD1 3.88Å; K285-F320 HydrophobicContact CG-CE1 4.38Å; K285-F320 PolarHBondContact N-O 3.3Å; L287-F320 HydrophobicContact CB-CE1 4.33Å; L287-F320 HydrophobicContact CD1-CD1 4.1Å; L287-F320 HydrophobicContact CD1-CE1 4.39Å; L287-F320 HydrophobicContact CD1-CG 4.34Å; L287-F320 HydrophobicContact CG-CD1 4.21Å; L287-F320 HydrophobicContact CG-CE1 3.99Å; L287-F320 HydrophobicContact CG-CZ 4.14Å; I315-F320 HydrophobicContact CG2-CE2 3.72Å; I315-F320 HydrophobicContact CG2-CZ 3.74Å; I315-F320 WeakPolarHBondContact O-CE2 3.21Å; E318-F320 HydrophobicContact CB-CD2 4.36Å; E318-F320 HydrophobicContact CB-CE2 3.65Å; E318-F320 HydrophobicContact CB-CZ 4.02Å
321G94.4Very high85.8Confident4 Ų453.7 Ų53.74%0.04126%0.263CS..  trans72.6-139179.500000111.3F133 S134 N319F133-G321 CarbonylContact C-O 3.52Å; F133-G321 WeakPolarHBondContact CA-O 3.32Å; S134-G321 PolarHBondContact N-O 3.42Å; N319-G321 PolarHBondContact OD1-N 3.21Å
322S95.1Very high87.8Confident18 Ų1846.7 Ų46.713%0.12624%0.235CC..EExtended strand (participates in β ladder)trans-108.8155.1-174.7-49.60000112.3K135 D284K135-S322 WeakPolarHBondContact O-CA 3.27Å; D284-S322 VanDerWaalsContact CG-N 3.31Å; D284-S322 PolarHBondContact N-O 2.87Å; D284-S322 WeakPolarHBondContact OD2-CB 3.47Å; D284-S322 PolarHBondContact OD2-N 3.12Å
323I96.4Very high89.6Confident0 Ų045.3 Ų45.30%022%0.223CC..EExtended strand (participates in β ladder)trans-114137.3168-59.2-179.6000108.2F133 K135 V136 C137 I165 M169 I281 S282 Y283 V325F133-I323 HydrophobicContact CD1-CD1 3.9Å; F133-I323 HydrophobicContact CD1-CG1 3.88Å; F133-I323 HydrophobicContact CD2-CD1 3.71Å; F133-I323 HydrophobicContact CD2-CG1 4.41Å; F133-I323 HydrophobicContact CE1-CD1 3.6Å; F133-I323 HydrophobicContact CE1-CG1 3.85Å; F133-I323 HydrophobicContact CE2-CD1 3.38Å; F133-I323 HydrophobicContact CE2-CG1 4.39Å; F133-I323 HydrophobicContact CG-CD1 3.98Å; F133-I323 HydrophobicContact CG-CG1 4.19Å; F133-I323 HydrophobicContact CZ-CD1 3.36Å; F133-I323 HydrophobicContact CZ-CG1 4.15Å; K135-I323 PolarHBondContact O-N 2.82Å; V136-I323 HydrophobicContact CG2-CB 4.47Å; C137-I323 WeakPolarHBondContact CB-O 3.46Å; C137-I323 PolarHBondContact N-O 3.46Å; I165-I323 HydrophobicContact CD1-CD1 4.2Å; M169-I323 HydrophobicContact CE-CD1 3.46Å; M169-I323 VanDerWaalsContact CE-CD1 3.46Å; I281-I323 HydrophobicContact CG2-CG2 3.96Å; S282-I323 CarbonylContact O-C 3.56Å; S282-I323 WeakPolarHBondContact O-CA 3.1Å; Y283-I323 HydrophobicContact CD1-CD1 3.78Å; Y283-I323 HydrophobicContact CD1-CG1 3.65Å; Y283-I323 HydrophobicContact CD1-CG2 4.42Å; Y283-I323 HydrophobicContact CE1-CD1 3.41Å; Y283-I323 VanDerWaalsContact CE1-CD1 3.41Å; Y283-I323 HydrophobicContact CE1-CG1 3.8Å; Y283-I323 HydrophobicContact CE1-CG2 4.21Å; I323-V325 HydrophobicContact CG2-CG2 3.93Å
324H96.7Very high91Very high17 Ų1741.3 Ų41.38%0.07921%0.208CC..EExtended strand (participates in β ladder)trans-118.1117173.5-60.380.7000109.2F34 C137 S282 A381 L423F34-H324 HydrophobicContact CE1-CB 4.11Å; C137-H324 WeakPolarHBondContact CB-CD2 3.42Å; C137-H324 CarbonylContact O-C 3.56Å; C137-H324 WeakPolarHBondContact O-CA 3.33Å; S282-H324 PolarHBondContact N-O 3.03Å; S282-H324 PolarHBondContact O-N 2.93Å; H324-A381 HydrophobicContact CB-CB 3.97Å; H324-L423 HydrophobicContact CB-CD1 4.18Å; H324-L423 WeakPolarHBondContact CE1-CD1 3.21Å; H324-L423 VanDerWaalsContact CG-CD1 3.41Å; H324-L423 VanDerWaalsContact ND1-CD1 3.28Å; H324-L423 WeakPolarHBondContact ND1-CD1 3.41Å
325V97.9Very high92.3Very high1 Ų136.4 Ų36.41%0.00620%0.203CC..EExtended strand (participates in β ladder)trans-108.8111.6177.7-172.50000108.2C137 V138 N139 M169 I279 S280 I281 I323 F327C137-V325 PolarHBondContact O-N 2.93Å; V138-V325 WeakPolarHBondContact CA-O 3.44Å; V138-V325 HydrophobicContact CG2-CB 4.32Å; N139-V325 PolarHBondContact N-O 2.83Å; N139-V325 PolarHBondContact OD1-O 2.92Å; M169-V325 HydrophobicContact CG-CG2 4.07Å; I279-V325 HydrophobicContact CG2-CG1 3.94Å; S280-V325 WeakPolarHBondContact O-CA 3.43Å; I281-V325 HydrophobicContact CG1-CG1 4.47Å; I281-V325 HydrophobicContact CG2-CG2 4.42Å; I323-V325 HydrophobicContact CG2-CG2 3.93Å; V325-F327 HydrophobicContact CB-CE2 4.49Å; V325-F327 HydrophobicContact CG1-CD2 4.17Å; V325-F327 HydrophobicContact CG1-CE2 3.61Å; V325-F327 HydrophobicContact CG1-CZ 4.21Å
326Y97.5Very high93.4Very high4 Ų434.2 Ų34.22%0.01619%0.191CC..EExtended strand (participates in β ladder)trans-106.1115.2177.9-167.2-80.6000110.6K29 W31 D32 F34 N139 I279 S280 N379K29-Y326 PolarHBondContact NZ-OH 2.92Å; W31-Y326 HydrophobicContact CE3-CE2 4.42Å; D32-Y326 HydrophobicContact CB-CE2 4.25Å; D32-Y326 VanDerWaalsContact OD2-CE2 3.31Å; D32-Y326 WeakPolarHBondContact OD2-CE2 3.47Å; D32-Y326 PolarHBondContact OD2-OH 2.9Å; F34-Y326 HydrophobicContact CE1-CD2 4.45Å; F34-Y326 HydrophobicContact CE2-CD2 4.37Å; F34-Y326 AromaticContact CZ-CD2 3.75Å; F34-Y326 HydrophobicContact CZ-CD2 3.75Å; N139-Y326 HydrophobicContact CB-CD2 3.88Å; N139-Y326 HydrophobicContact CB-CE2 4.05Å; N139-Y326 WeakPolarHBondContact ND2-CE2 3.41Å; N139-Y326 WeakPolarHBondContact OD1-CA 3.42Å; I279-Y326 WeakPolarHBondContact CA-O 3.41Å; S280-Y326 PolarHBondContact N-O 2.7Å; S280-Y326 PolarHBondContact O-N 3.49Å; Y326-N379 HydrophobicContact CD1-CB 3.38Å; Y326-N379 HydrophobicContact CE1-CB 3.69Å; Y326-N379 VanDerWaalsContact CE1-OD1 3.32Å; Y326-N379 WeakPolarHBondContact CE1-OD1 3.34Å; Y326-N379 HydrophobicContact CG-CB 4.08Å
327F97.9Very high94.3Very high2 Ų231.6 Ų31.61%0.00918%0.178CC..EExtended strand (participates in β ladder)trans-85.7111.6168.9-68.4-98.6000109V138 N139 G142 I143 L146 L170 V173 L174 V277 I279 V325V138-F327 HydrophobicContact CG1-CD2 3.91Å; V138-F327 HydrophobicContact CG1-CE2 3.7Å; N139-F327 PolarHBondContact ND2-O 3.4Å; N139-F327 PolarHBondContact OD1-N 3.21Å; G142-F327 WeakPolarHBondContact CA-O 3.49Å; I143-F327 HydrophobicContact CD1-CD1 4.49Å; I143-F327 HydrophobicContact CD1-CD2 3.71Å; I143-F327 HydrophobicContact CD1-CE1 4.28Å; I143-F327 HydrophobicContact CD1-CE2 3.5Å; I143-F327 VanDerWaalsContact CD1-CE2 3.5Å; I143-F327 HydrophobicContact CD1-CG 4.22Å; I143-F327 HydrophobicContact CD1-CZ 3.79Å; I143-F327 HydrophobicContact CG1-CD2 4.29Å; I143-F327 HydrophobicContact CG1-CE2 4.42Å; L146-F327 HydrophobicContact CD2-CD1 3.82Å; L146-F327 HydrophobicContact CD2-CE1 3.66Å; L170-F327 HydrophobicContact CD1-CE1 3.56Å; L170-F327 HydrophobicContact CD1-CZ 3.4Å; L170-F327 VanDerWaalsContact CD1-CZ 3.4Å; V173-F327 HydrophobicContact CG1-CE2 3.83Å; V173-F327 HydrophobicContact CG1-CZ 3.85Å; L174-F327 HydrophobicContact CD1-CE1 3.88Å; L174-F327 HydrophobicContact CD1-CZ 3.77Å; V277-F327 HydrophobicContact CG1-CD1 4.39Å; I279-F327 HydrophobicContact CD1-CD1 3.88Å; I279-F327 HydrophobicContact CD1-CE1 3.77Å; I279-F327 HydrophobicContact CG1-CD1 3.8Å; I279-F327 HydrophobicContact CG1-CE1 4.15Å; I279-F327 HydrophobicContact CG1-CG 4.42Å; V325-F327 HydrophobicContact CB-CE2 4.49Å; V325-F327 HydrophobicContact CG1-CD2 4.17Å; V325-F327 HydrophobicContact CG1-CE2 3.61Å; V325-F327 HydrophobicContact CG1-CZ 4.21Å
328G96.4Very high95.1Very high1 Ų131.4 Ų31.41%0.0118%0.177CC..PPolyproline II helixtrans-78.917317500000113.1P278P278-G328 WeakPolarHBondContact O-CA 3.29Å; P278-G328 PolarHBondContact O-N 2.98Å
329D96.3Very high95.1Very high77 Ų7732.6 Ų32.641%0.41221%0.206SC..PPolyproline II helixtrans-60.2129.7-178.6-66-42.9000111.9K145 P278 V331K145-D329 VanDerWaalsContact CD-OD1 3.25Å; K145-D329 WeakPolarHBondContact CD-OD1 3.32Å; K145-D329 VanDerWaalsContact CE-OD1 3.27Å; K145-D329 WeakPolarHBondContact CE-OD1 3.33Å; K145-D329 IonicContact NZ-OD1 3.95Å; K145-D329 PolarHBondContact NZ-OD1 2.6Å; P278-D329 WeakPolarHBondContact CD-O 3.3Å; D329-V331 WeakPolarHBondContact O-CG2 3.34Å; D329-V331 PolarHBondContact O-N 2.82Å
330P97.6Very high94.9Very high35 Ų3535.1 Ų35.123%0.22721%0.209CC..PPolyproline II helixtrans-57.5121.3172.9-24.933.7000111.7K145 A149 Y275 V277K145-P330 HydrophobicContact CB-CG 4.29Å; A149-P330 HydrophobicContact CB-CB 3.99Å; A149-P330 HydrophobicContact CB-CG 3.84Å; Y275-P330 HydrophobicContact CD1-CB 4.33Å; Y275-P330 HydrophobicContact CG-CB 4.2Å; V277-P330 HydrophobicContact CG2-CB 4.12Å; V277-P330 HydrophobicContact CG2-CG 4.19Å
331V98.1Very high94.6Very high22 Ų2236.1 Ų36.113%0.13322%0.215CC..EExtended strand (participates in β ladder)trans-96.3115.3-178.1-171.10000110F276 D329 L333 L336 I372 L375F276-V331 HydrophobicContact CB-CB 4.39Å; F276-V331 PolarHBondContact N-O 3.5Å; F276-V331 PolarHBondContact O-N 2.92Å; D329-V331 WeakPolarHBondContact O-CG2 3.34Å; D329-V331 PolarHBondContact O-N 2.82Å; V331-L333 PolarHBondContact O-N 3.44Å; V331-L336 HydrophobicContact CG1-CD1 3.48Å; V331-L336 VanDerWaalsContact CG1-CD1 3.48Å; V331-L336 HydrophobicContact CG1-CD2 4.05Å; V331-L336 HydrophobicContact CG1-CG 3.76Å; V331-I372 HydrophobicContact CB-CD1 4.21Å; V331-I372 HydrophobicContact CG2-CD1 3.98Å; V331-L375 HydrophobicContact CG2-CD1 3.77Å
332S97.9Very high94Very high23 Ų2339.9 Ų39.916%0.16124%0.239CC..EExtended strand (participates in β ladder)trans-66.3117.6174.6169.90000111.5D273 R334 S335 L336D273-S332 PolarHBondContact OD1-OG 2.85Å; D273-S332 WeakPolarHBondContact OD2-CB 3.45Å; D273-S332 PolarHBondContact OD2-OG 3.43Å; S332-R334 PolarHBondContact O-N 2.92Å; S332-R334 PolarHBondContact OG-N 3.36Å; S332-S335 PolarHBondContact O-N 3.46Å; S332-S335 WeakPolarHBondContact OG-CB 3.15Å; S332-S335 PolarHBondContact OG-N 3Å; S332-L336 WeakPolarHBondContact O-CG 3.2Å; S332-L336 PolarHBondContact O-N 3.15Å
333L97.1Very high93.5Very high0 Ų042 Ų420%024%0.244CC..Hα-helixtrans-61-36.8171.1175.354.6000111.3M263 F266 D273 T274 F276 V331 L336 A337 F364M263-L333 HydrophobicContact CB-CD2 4.1Å; M263-L333 HydrophobicContact CE-CD1 3.44Å; M263-L333 VanDerWaalsContact CE-CD1 3.44Å; M263-L333 HydrophobicContact CG-CD1 4.32Å; M263-L333 HydrophobicContact CG-CD2 3.93Å; F266-L333 HydrophobicContact CB-CD2 3.53Å; F266-L333 HydrophobicContact CB-CG 4.31Å; F266-L333 HydrophobicContact CD1-CD1 4.29Å; F266-L333 HydrophobicContact CD1-CD2 3.59Å; F266-L333 HydrophobicContact CD1-CG 3.55Å; F266-L333 HydrophobicContact CD2-CG 4.49Å; F266-L333 HydrophobicContact CE1-CD2 4.49Å; F266-L333 HydrophobicContact CE1-CG 3.98Å; F266-L333 HydrophobicContact CG-CD2 3.63Å; F266-L333 HydrophobicContact CG-CG 3.85Å; D273-L333 PolarHBondContact OD1-N 3.23Å; T274-L333 VanDerWaalsContact O-CB 3.28Å; T274-L333 WeakPolarHBondContact O-CB 3.23Å; T274-L333 PolarHBondContact O-N 3.28Å; F276-L333 HydrophobicContact CE2-CB 4.14Å; F276-L333 HydrophobicContact CE2-CD1 4.03Å; F276-L333 HydrophobicContact CE2-CD2 4.32Å; F276-L333 HydrophobicContact CE2-CG 4.39Å; F276-L333 HydrophobicContact CZ-CD2 4.15Å; V331-L333 PolarHBondContact O-N 3.44Å; L333-L336 PolarHBondContact O-N 3.05Å; L333-A337 WeakPolarHBondContact O-CB 3.33Å; L333-A337 PolarHBondContact O-N 3.13Å; L333-F364 HydrophobicContact CD1-CE1 3.83Å; L333-F364 HydrophobicContact CD1-CZ 4.06Å
334R95.9Very high92.9Very high116 Ų11646.4 Ų46.444%0.43827%0.268SS..Hα-helixtrans-61.7-44.9175.4-175.9-177.9176.5-75.9-1.9112.3F266 D273 S332 A337 S338F266-R334 HydrophobicContact CE2-CB 3.7Å; F266-R334 HydrophobicContact CE2-CG 4.05Å; F266-R334 HydrophobicContact CZ-CB 4.08Å; F266-R334 HydrophobicContact CZ-CG 4.35Å; D273-R334 HydrophobicContact CB-CB 4.12Å; D273-R334 VanDerWaalsContact OD1-CB 3.29Å; D273-R334 WeakPolarHBondContact OD1-CB 3.28Å; D273-R334 PolarHBondContact OD1-N 3.25Å; D273-R334 WeakPolarHBondContact OD2-CB 3.46Å; S332-R334 PolarHBondContact O-N 2.92Å; S332-R334 PolarHBondContact OG-N 3.36Å; R334-A337 PolarHBondContact O-N 2.76Å; R334-S338 PolarHBondContact O-N 3.17Å; R334-S338 VanDerWaalsContact O-N 3.1Å
335S95.8Very high92.3Very high82 Ų8248.6 Ų48.657%0.57328%0.284SS*.Hα-helixtrans-63.2-44.8176.7-173.10000111S332 A337 S338S332-S335 PolarHBondContact O-N 3.46Å; S332-S335 WeakPolarHBondContact OG-CB 3.15Å; S332-S335 PolarHBondContact OG-N 3Å; S335-A337 VanDerWaalsContact C-N 3.32Å; S335-A337 PolarHBondContact O-N 3.39Å; S335-S338 WeakPolarHBondContact O-CB 3.38Å; S335-S338 PolarHBondContact O-N 3.25Å
336L94.9Very high91.6Very high12 Ų1249.3 Ų49.36%0.06329%0.287CS..Hα-helixtrans-60.3-39.8176.1-71.2173.8000112.8V331 S332 L333 S338 R340 F364 V368 R371V331-L336 HydrophobicContact CG1-CD1 3.48Å; V331-L336 VanDerWaalsContact CG1-CD1 3.48Å; V331-L336 HydrophobicContact CG1-CD2 4.05Å; V331-L336 HydrophobicContact CG1-CG 3.76Å; S332-L336 WeakPolarHBondContact O-CG 3.2Å; S332-L336 PolarHBondContact O-N 3.15Å; L333-L336 PolarHBondContact O-N 3.05Å; L336-S338 VanDerWaalsContact C-N 3.34Å; L336-R340 WeakPolarHBondContact O-CD 3.49Å; L336-F364 HydrophobicContact CB-CE2 4.28Å; L336-F364 HydrophobicContact CB-CZ 4Å; L336-F364 WeakPolarHBondContact O-CE2 3.33Å; L336-V368 HydrophobicContact CD1-CG1 4.14Å; L336-V368 HydrophobicContact CD1-CG2 4.02Å; L336-R371 VanDerWaalsContact CD2-NH1 3.3Å
337A93.9Very high91Very high6 Ų652.9 Ų52.95%0.0531%0.306CS..Hα-helixtrans-78.8-15.7-178.900000113.7F266 L333 R334 S335 G339 R340 L341 F364F266-A337 HydrophobicContact CE1-CB 3.62Å; F266-A337 HydrophobicContact CZ-CB 3.89Å; L333-A337 WeakPolarHBondContact O-CB 3.33Å; L333-A337 PolarHBondContact O-N 3.13Å; R334-A337 PolarHBondContact O-N 2.76Å; S335-A337 VanDerWaalsContact C-N 3.32Å; S335-A337 PolarHBondContact O-N 3.39Å; A337-G339 PolarHBondContact O-N 3.4Å; A337-R340 PolarHBondContact O-N 3.16Å; A337-L341 HydrophobicContact CB-CB 4.35Å; A337-L341 PolarHBondContact O-N 3.45Å; A337-L341 VanDerWaalsContact O-N 3.13Å; A337-F364 HydrophobicContact CB-CE1 4.34Å; A337-F364 HydrophobicContact CB-CZ 3.86Å
338S91.8Very high90.5Very high86 Ų8659.7 Ų59.760%0.60134%0.342SS*.THydrogen-bonded Turntrans-60.1122.6-174.9-169.20000111.6R334 S335 L336 R340R334-S338 PolarHBondContact O-N 3.17Å; R334-S338 VanDerWaalsContact O-N 3.1Å; S335-S338 WeakPolarHBondContact O-CB 3.38Å; S335-S338 PolarHBondContact O-N 3.25Å; L336-S338 VanDerWaalsContact C-N 3.34Å; S338-R340 PolarHBondContact O-N 2.92Å; S338-R340 VanDerWaalsContact O-N 3.16Å
339G84.9Confident90Very high88 Ų8862.2 Ų62.291%0.90736%0.357SS*.THydrogen-bonded Turntrans70.40.2-178.200000115.4A337A337-G339 PolarHBondContact O-N 3.4Å
340R84.4Confident89.7Confident139 Ų13961.6 Ų61.653%0.52536%0.357SS..THydrogen-bonded Turntrans-114-27.3-176.7-60.1-172.7-173.4-165.1-1.5114.1L336 A337 S338 E367L336-R340 WeakPolarHBondContact O-CD 3.49Å; A337-R340 PolarHBondContact O-N 3.16Å; S338-R340 PolarHBondContact O-N 2.92Å; S338-R340 VanDerWaalsContact O-N 3.16Å; R340-E367 IonicContact CZ-OE1 2.91Å; R340-E367 VanDerWaalsContact NH1-CD 3.34Å; R340-E367 IonicContact NH1-OE1 2.75Å; R340-E367 PolarHBondContact NH1-OE1 3.24Å; R340-E367 IonicContact NH1-OE2 3.66Å; R340-E367 PolarHBondContact NH1-OE2 3.17Å
341L84.7Confident89.2Confident26 Ų2665.2 Ų65.214%0.13637%0.366CS..  trans-131.6121.8-174.6-165.1142.9000111.9F267 A337 R343 V361 F364F267-L341 HydrophobicContact CD1-CD1 4.5Å; F267-L341 HydrophobicContact CD1-CD2 4.1Å; F267-L341 HydrophobicContact CE1-CD1 3.95Å; F267-L341 HydrophobicContact CE1-CD2 4.33Å; F267-L341 HydrophobicContact CZ-CD1 4.37Å; A337-L341 HydrophobicContact CB-CB 4.35Å; A337-L341 PolarHBondContact O-N 3.45Å; A337-L341 VanDerWaalsContact O-N 3.13Å; L341-R343 HydrophobicContact CD2-CG 3.67Å; L341-R343 PolarHBondContact O-N 3.34Å; L341-V361 HydrophobicContact CD1-CG2 4.02Å; L341-F364 HydrophobicContact CD1-CB 4.01Å; L341-F364 HydrophobicContact CD1-CD1 3.52Å; L341-F364 HydrophobicContact CD1-CE1 4.15Å; L341-F364 HydrophobicContact CD1-CG 3.82Å
342C81.8Confident88.6Confident82 Ų8268.2 Ų68.255%0.55438%0.376SS*.  trans-82.7115.2173.4-172.60000110.2P345C342-P345 WeakPolarHBondContact O-CD 3.25Å
343R85.8Confident88.1Confident62 Ų6268.8 Ų68.823%0.23438%0.376CS..  trans-88.10.5178-63.5-174.4-66.8168.7-1.5113.8F266 L341 P345 Y346F266-R343 PolarHBondContact O-NH1 2.97Å; L341-R343 HydrophobicContact CD2-CG 3.67Å; L341-R343 PolarHBondContact O-N 3.34Å; R343-P345 VanDerWaalsContact C-CD 3.46Å; R343-Y346 PolarHBondContact O-N 2.82Å
344N84.1Confident87.5Confident93 Ų9371.7 Ų71.750%0.49740%0.395SS..SBendtrans-64.2-36-178.1-65.5-13.2000114.3R269 Y346 N347R269-N344 PolarHBondContact NH2-OD1 3.44Å; N344-Y346 PolarHBondContact O-N 3.3Å; N344-N347 WeakPolarHBondContact O-CB 3.41Å; N344-N347 PolarHBondContact O-N 3.19Å
345P83.9Confident86.8Confident64 Ų6468.6 Ų68.642%0.41639%0.386SS..G310 helixtrans-56.1-34.4177.7-27.836.7000113.5C342 R343 N347 L348C342-P345 WeakPolarHBondContact O-CD 3.25Å; R343-P345 VanDerWaalsContact C-CD 3.46Å; P345-N347 PolarHBondContact O-N 3.35Å; P345-N347 VanDerWaalsContact O-N 3.17Å; P345-L348 WeakPolarHBondContact O-CB 3.2Å; P345-L348 PolarHBondContact O-N 3.2Å; P345-L348 VanDerWaalsContact O-N 3.07Å
346Y83.8Confident86.1Confident16 Ų1674.3 Ų74.36%0.06340%0.4CS..G310 helixtrans-67.8-12177.4-66.3-80.4000114.1F267 K268 R343 N344F267-Y346 HydrophobicContact CB-CD2 4.13Å; F267-Y346 HydrophobicContact CB-CE1 4.24Å; F267-Y346 HydrophobicContact CB-CE2 3.75Å; F267-Y346 HydrophobicContact CG-CE2 4.43Å; K268-Y346 HydrophobicContact CG-CD1 3.88Å; K268-Y346 HydrophobicContact CG-CE1 4.48Å; R343-Y346 PolarHBondContact O-N 2.82Å; N344-Y346 PolarHBondContact O-N 3.3Å
347N84.1Confident85.4Confident78 Ų7875.3 Ų75.342%0.41741%0.405SS..G310 helixtrans-90.7-11.4173.9-60-35.7000113R269 N344 P345 V349R269-N347 PolarHBondContact NH2-ND2 3.07Å; N344-N347 WeakPolarHBondContact O-CB 3.41Å; N344-N347 PolarHBondContact O-N 3.19Å; P345-N347 PolarHBondContact O-N 3.35Å; P345-N347 VanDerWaalsContact O-N 3.17Å; N347-V349 VanDerWaalsContact C-N 3.34Å
348L86.9Confident85.1Confident146 Ų14677.8 Ų77.876%0.76442%0.422SS*.SBendtrans-83.1-14.3-175.4-59179.6000113.1P345P345-L348 WeakPolarHBondContact O-CB 3.2Å; P345-L348 PolarHBondContact O-N 3.2Å; P345-L348 VanDerWaalsContact O-N 3.07Å
349V87.4Confident84.9Confident54 Ų5481.9 Ų81.933%0.32743%0.432SS..SBendtrans-134.3141.5-177178.50000108.1N347 R351 I353N347-V349 VanDerWaalsContact C-N 3.34Å; V349-R351 PolarHBondContact O-N 2.91Å; V349-I353 HydrophobicContact CG1-CB 3.97Å; V349-I353 HydrophobicContact CG1-CD1 4.01Å; V349-I353 HydrophobicContact CG1-CG1 4.47Å; V349-I353 HydrophobicContact CG1-CG2 4.23Å
350P89.1Confident85.1Confident63 Ų6383.8 Ų83.841%0.40942%0.421SS..  trans-50.8134.9174.5-26.933.1000112.6Y352 I353P350-Y352 HydrophobicContact CB-CD1 3.78Å; P350-Y352 HydrophobicContact CB-CE1 3.3Å; P350-Y352 HydrophobicContact CB-CE2 4.38Å; P350-Y352 HydrophobicContact CB-CG 4.5Å; P350-Y352 HydrophobicContact CG-CE1 4.25Å; P350-Y352 PolarHBondContact O-N 3.19Å; P350-Y352 VanDerWaalsContact O-N 3.17Å; P350-I353 HydrophobicContact CB-CD1 4.24Å; P350-I353 HydrophobicContact CB-CG1 4.33Å; P350-I353 HydrophobicContact CG-CD1 4.17Å; P350-I353 PolarHBondContact O-N 3.2Å
351R86.8Confident85.4Confident111 Ų11177.3 Ų77.342%0.41940%0.397SS..THydrogen-bonded Turntrans-61.8-28.7-170-64.3-177.8-169.4176.31.1114.1K268 R269 V349 I353K268-R351 HydrophobicContact CD-CB 4.46Å; K268-R351 VanDerWaalsContact CE-O 3.29Å; K268-R351 WeakPolarHBondContact CE-O 3.49Å; K268-R351 PolarHBondContact NZ-O 3.05Å; K268-R351 WeakPolarHBondContact O-CD 3.43Å; K268-R351 VanDerWaalsContact O-CZ 3.32Å; K268-R351 PolarHBondContact O-NE 3.5Å; R269-R351 PolarHBondContact O-NH1 3.38Å; V349-R351 PolarHBondContact O-N 2.91Å; R351-I353 PolarHBondContact O-N 3.2Å
352Y85.9Confident85.7Confident85 Ų8579.8 Ų79.833%0.33341%0.407SS..THydrogen-bonded Turntrans-74-12.1179.664.8-101.5000113.5E78 E79 Y82 P350 P354E78-Y352 VanDerWaalsContact CB-CB 3.48Å; E78-Y352 HydrophobicContact CB-CD1 4.06Å; E78-Y352 HydrophobicContact CB-CD2 4.3Å; E78-Y352 HydrophobicContact CB-CG 3.71Å; E78-Y352 WeakPolarHBondContact OE2-CD1 3.45Å; E79-Y352 VanDerWaalsContact CA-O 3.29Å; E79-Y352 WeakPolarHBondContact CA-O 3.26Å; E79-Y352 WeakPolarHBondContact CB-O 3.24Å; E79-Y352 WeakPolarHBondContact CG-O 3.43Å; Y82-Y352 HydrophobicContact CD2-CD2 4.4Å; Y82-Y352 HydrophobicContact CD2-CE2 4.06Å; Y82-Y352 HydrophobicContact CG-CD2 4.35Å; Y82-Y352 HydrophobicContact CG-CE2 4.47Å; P350-Y352 HydrophobicContact CB-CD1 3.78Å; P350-Y352 HydrophobicContact CB-CE1 3.3Å; P350-Y352 HydrophobicContact CB-CE2 4.38Å; P350-Y352 HydrophobicContact CB-CG 4.5Å; P350-Y352 HydrophobicContact CG-CE1 4.25Å; P350-Y352 PolarHBondContact O-N 3.19Å; P350-Y352 VanDerWaalsContact O-N 3.17Å; Y352-P354 WeakPolarHBondContact O-CD 3.44Å
353I87.8Confident86.2Confident35 Ų3579.6 Ų79.618%0.17941%0.407CS..SBendtrans-82.6122176-60.2-179.4000107.8Y82 V349 P350 R351 Q355Y82-I353 HydrophobicContact CD2-CG1 4.28Å; Y82-I353 HydrophobicContact CE1-CG2 4.09Å; Y82-I353 HydrophobicContact CE2-CD1 4.29Å; Y82-I353 HydrophobicContact CE2-CG1 4.08Å; V349-I353 HydrophobicContact CG1-CB 3.97Å; V349-I353 HydrophobicContact CG1-CD1 4.01Å; V349-I353 HydrophobicContact CG1-CG1 4.47Å; V349-I353 HydrophobicContact CG1-CG2 4.23Å; P350-I353 HydrophobicContact CB-CD1 4.24Å; P350-I353 HydrophobicContact CB-CG1 4.33Å; P350-I353 HydrophobicContact CG-CD1 4.17Å; P350-I353 PolarHBondContact O-N 3.2Å; R351-I353 PolarHBondContact O-N 3.2Å; I353-Q355 PolarHBondContact O-N 3.19Å
354P84.4Confident86.5Confident61 Ų6177.2 Ų77.240%0.39640%0.398SS..  trans-60.3126.6173.9-23.434.6000110.5E79 V83 Y352E79-P354 HydrophobicContact CG-CG 4.17Å; V83-P354 HydrophobicContact CG2-CG 3.79Å; Y352-P354 WeakPolarHBondContact O-CD 3.44Å
355Q81.4Confident87.1Confident51 Ų5172.8 Ų72.824%0.23838%0.375CS..  trans-109.8138.9179.7-68.7174.335.900109.9I353 Q357I353-Q355 PolarHBondContact O-N 3.19Å; Q355-Q357 PolarHBondContact O-N 3.13Å
356K80.6Confident87.6Confident202 Ų20271.4 Ų71.488%0.87837%0.365SS*.PPolyproline II helixtrans-67.8127.2167.1-171.7179.5177.1-1740108
357Q80.2Confident88.1Confident34 Ų3473.3 Ų73.316%0.15938%0.375CS..PPolyproline II helixtrans-65.4143.5177.6-69179.3-16.800110.4N260 Q355 V361 H362N260-Q357 PolarHBondContact OD1-NE2 3.07Å; N260-Q357 PolarHBondContact OD1-OE1 2.66Å; N260-Q357 VanDerWaalsContact OD1-OE1 3.07Å; Q355-Q357 PolarHBondContact O-N 3.13Å; Q357-V361 HydrophobicContact CB-CB 4.27Å; Q357-V361 HydrophobicContact CB-CG1 4.09Å; Q357-V361 HydrophobicContact CG-CG1 4.05Å; Q357-H362 PolarHBondContact OE1-CE1 3.07Å; Q357-H362 PolarHBondContact OE1-ND1 3.36Å; Q357-H362 VanDerWaalsContact OE1-ND1 3.08Å
358S86.5Confident88.6Confident58 Ų5869.8 Ų69.841%0.40636%0.356SS..PPolyproline II helixtrans-71.5159.7172.256.60000110.8D360 V361 H362S358-D360 PolarHBondContact O-N 2.98Å; S358-V361 PolarHBondContact O-N 2.96Å; S358-V361 VanDerWaalsContact O-N 3.11Å; S358-V361 VanDerWaalsContact OG-CG2 3.29Å; S358-V361 WeakPolarHBondContact OG-CG2 3.4Å; S358-H362 PolarHBondContact O-CD2 3.44Å; S358-H362 PolarHBondContact O-N 3.17Å; S358-H362 VanDerWaalsContact O-N 3.07Å
359E88.3Confident89.1Confident172 Ų17262.9 Ų62.980%0.80432%0.32SS*.Hα-helixtrans-58-36.4176.1-66.6-175.5171.500111.9V361 H362 S363E359-V361 PolarHBondContact O-N 3.43Å; E359-H362 PolarHBondContact O-N 3.48Å; E359-S363 WeakPolarHBondContact O-CB 3.4Å; E359-S363 PolarHBondContact O-N 2.79Å
360D89.3Confident89.5Confident127 Ų12761.8 Ų61.868%0.67931%0.31SS*.Hα-helixtrans-59.8-43.3174.8-62.2-26.9000112.5S358 S363 F364S358-D360 PolarHBondContact O-N 2.98Å; D360-S363 PolarHBondContact O-N 3.44Å; D360-F364 WeakPolarHBondContact O-CB 3.34Å; D360-F364 PolarHBondContact O-N 2.64Å
361V90.1Very high89.8Confident3 Ų363.7 Ų63.72%0.01831%0.309CS..Hα-helixtrans-66.3-42.4177.5172.70000110.1F267 L341 Q357 S358 E359 F364 V365F267-V361 HydrophobicContact CD2-CG1 4.25Å; F267-V361 HydrophobicContact CE2-CG1 3.71Å; F267-V361 HydrophobicContact CZ-CG1 4.16Å; L341-V361 HydrophobicContact CD1-CG2 4.02Å; Q357-V361 HydrophobicContact CB-CB 4.27Å; Q357-V361 HydrophobicContact CB-CG1 4.09Å; Q357-V361 HydrophobicContact CG-CG1 4.05Å; S358-V361 PolarHBondContact O-N 2.96Å; S358-V361 VanDerWaalsContact O-N 3.11Å; S358-V361 VanDerWaalsContact OG-CG2 3.29Å; S358-V361 WeakPolarHBondContact OG-CG2 3.4Å; E359-V361 PolarHBondContact O-N 3.43Å; V361-F364 PolarHBondContact O-N 3.26Å; V361-V365 HydrophobicContact CG1-CG2 4.26Å; V361-V365 WeakPolarHBondContact O-CG2 3.46Å; V361-V365 PolarHBondContact O-N 2.56Å
362H91.3Very high90.3Very high78 Ų7858.5 Ų58.536%0.36129%0.29SS..Hα-helixtrans-62.1-43.2176.4-75.2-46.5000112.5Q357 S358 E359 V365 T366Q357-H362 PolarHBondContact OE1-CE1 3.07Å; Q357-H362 PolarHBondContact OE1-ND1 3.36Å; Q357-H362 VanDerWaalsContact OE1-ND1 3.08Å; S358-H362 PolarHBondContact O-CD2 3.44Å; S358-H362 PolarHBondContact O-N 3.17Å; S358-H362 VanDerWaalsContact O-N 3.07Å; E359-H362 PolarHBondContact O-N 3.48Å; H362-V365 PolarHBondContact O-N 2.98Å; H362-T366 WeakPolarHBondContact O-CB 3.31Å; H362-T366 PolarHBondContact O-N 3.49Å; H362-T366 PolarHBondContact O-OG1 3.18Å
363S92.2Very high90.7Very high79 Ų7954.5 Ų54.555%0.55227%0.274SS*.Hα-helixtrans-63-44.2175.7-171.20000111.3E359 D360 T366 E367E359-S363 WeakPolarHBondContact O-CB 3.4Å; E359-S363 PolarHBondContact O-N 2.79Å; D360-S363 PolarHBondContact O-N 3.44Å; S363-T366 WeakPolarHBondContact O-CB 3.49Å; S363-T366 PolarHBondContact O-N 3.18Å; S363-E367 PolarHBondContact O-N 3.07Å
364F93.6Very high91.1Very high11 Ų1155 Ų555%0.04828%0.277CS..Hα-helixtrans-61.7-47.4176.5177.6-108.9000112.5M263 F267 L333 L336 A337 L341 D360 V361 T366 E367 V368M263-F364 HydrophobicContact CE-CD1 3.65Å; M263-F364 HydrophobicContact CE-CE1 3.31Å; M263-F364 HydrophobicContact CE-CZ 4.28Å; F267-F364 HydrophobicContact CE1-CD1 4.18Å; F267-F364 HydrophobicContact CE1-CE1 4.01Å; F267-F364 HydrophobicContact CZ-CD1 4.07Å; F267-F364 HydrophobicContact CZ-CE1 4.2Å; L333-F364 HydrophobicContact CD1-CE1 3.83Å; L333-F364 HydrophobicContact CD1-CZ 4.06Å; L336-F364 HydrophobicContact CB-CE2 4.28Å; L336-F364 HydrophobicContact CB-CZ 4Å; L336-F364 WeakPolarHBondContact O-CE2 3.33Å; A337-F364 HydrophobicContact CB-CE1 4.34Å; A337-F364 HydrophobicContact CB-CZ 3.86Å; L341-F364 HydrophobicContact CD1-CB 4.01Å; L341-F364 HydrophobicContact CD1-CD1 3.52Å; L341-F364 HydrophobicContact CD1-CE1 4.15Å; L341-F364 HydrophobicContact CD1-CG 3.82Å; D360-F364 WeakPolarHBondContact O-CB 3.34Å; D360-F364 PolarHBondContact O-N 2.64Å; V361-F364 PolarHBondContact O-N 3.26Å; F364-T366 VanDerWaalsContact C-N 3.26Å; F364-T366 PolarHBondContact O-N 3.1Å; F364-E367 PolarHBondContact O-N 3.48Å; F364-V368 HydrophobicContact CD1-CG2 4.41Å; F364-V368 HydrophobicContact CD2-CG2 4.33Å; F364-V368 HydrophobicContact CE1-CG2 4.04Å; F364-V368 HydrophobicContact CE2-CG2 3.92Å; F364-V368 HydrophobicContact CZ-CG2 3.76Å; F364-V368 WeakPolarHBondContact O-CG2 3.41Å; F364-V368 PolarHBondContact O-N 3.39Å
365V94.8Very high91.6Very high1 Ų154 Ų541%0.00627%0.268CS..Hα-helixtrans-61-39.9177.4174.60000110.7F256 L259 N260 M263 F267 V361 H362 V368 A369F256-V365 HydrophobicContact CB-CG1 4.29Å; L259-V365 HydrophobicContact CB-CG1 4.31Å; L259-V365 HydrophobicContact CD2-CG1 3.81Å; L259-V365 HydrophobicContact CG-CG1 3.98Å; N260-V365 VanDerWaalsContact OD1-CG1 3.32Å; N260-V365 WeakPolarHBondContact OD1-CG1 3.27Å; N260-V365 WeakPolarHBondContact OD1-CG2 3.42Å; M263-V365 HydrophobicContact CE-CG2 3.97Å; M263-V365 HydrophobicContact SD-CB 4.21Å; M263-V365 HydrophobicContact SD-CG1 3.99Å; M263-V365 HydrophobicContact SD-CG2 3.71Å; F267-V365 HydrophobicContact CE2-CG2 4.32Å; F267-V365 HydrophobicContact CZ-CG2 4.23Å; V361-V365 HydrophobicContact CG1-CG2 4.26Å; V361-V365 WeakPolarHBondContact O-CG2 3.46Å; V361-V365 PolarHBondContact O-N 2.56Å; H362-V365 PolarHBondContact O-N 2.98Å; V365-V368 PolarHBondContact O-N 3.07Å; V365-A369 WeakPolarHBondContact O-CB 3.41Å; V365-A369 PolarHBondContact O-N 3.34Å
366T94.6Very high92.3Very high35 Ų3551.9 Ų51.922%0.21526%0.258CS..Hα-helixtrans-60.3-51.7175.1-57.30000110.4F256 H362 S363 F364 V368 A369 Y370 P528F256-T366 HydrophobicContact CE1-CG2 3.95Å; F256-T366 HydrophobicContact CZ-CG2 3.79Å; H362-T366 WeakPolarHBondContact O-CB 3.31Å; H362-T366 PolarHBondContact O-N 3.49Å; H362-T366 PolarHBondContact O-OG1 3.18Å; S363-T366 WeakPolarHBondContact O-CB 3.49Å; S363-T366 PolarHBondContact O-N 3.18Å; F364-T366 VanDerWaalsContact C-N 3.26Å; F364-T366 PolarHBondContact O-N 3.1Å; T366-V368 VanDerWaalsContact C-N 3.33Å; T366-V368 PolarHBondContact O-N 3.39Å; T366-A369 WeakPolarHBondContact O-CB 3.22Å; T366-A369 PolarHBondContact O-N 3.02Å; T366-Y370 HydrophobicContact CG2-CD2 3.87Å; T366-Y370 HydrophobicContact CG2-CE2 3.81Å; T366-Y370 VanDerWaalsContact O-CD2 3.32Å; T366-Y370 WeakPolarHBondContact O-CD2 3.33Å; T366-Y370 PolarHBondContact O-N 3.08Å; T366-Y370 VanDerWaalsContact O-N 3.13Å; T366-P528 HydrophobicContact CG2-CG 4.22Å
367E94.1Very high92.9Very high56 Ų5643.1 Ų43.126%0.26222%0.221SC..Hα-helixtrans-55.8-46.6177.9-167.9-165.7158.300111.8R340 S363 F364 A369 Y370 R371 L527R340-E367 IonicContact CZ-OE1 2.91Å; R340-E367 VanDerWaalsContact NH1-CD 3.34Å; R340-E367 IonicContact NH1-OE1 2.75Å; R340-E367 PolarHBondContact NH1-OE1 3.24Å; R340-E367 IonicContact NH1-OE2 3.66Å; R340-E367 PolarHBondContact NH1-OE2 3.17Å; S363-E367 PolarHBondContact O-N 3.07Å; F364-E367 PolarHBondContact O-N 3.48Å; E367-A369 PolarHBondContact O-N 3.22Å; E367-Y370 PolarHBondContact O-N 3.45Å; E367-R371 VanDerWaalsContact O-CB 3.29Å; E367-R371 WeakPolarHBondContact O-CB 3.37Å; E367-R371 PolarHBondContact O-N 3.06Å; E367-L527 HydrophobicContact CG-CD1 4Å; E367-L527 HydrophobicContact CG-CD2 4.4Å
368V96Very high93.4Very high4 Ų446.2 Ų46.22%0.02424%0.235CC..Hα-helixtrans-60.3-45.4178.4173.30000111.1M263 F276 L336 F364 V365 T366 Y370 R371 I372M263-V368 HydrophobicContact CE-CB 4.23Å; M263-V368 HydrophobicContact CE-CG1 4.33Å; M263-V368 HydrophobicContact CE-CG2 3.98Å; F276-V368 HydrophobicContact CD2-CG1 4Å; F276-V368 HydrophobicContact CE2-CG1 3.89Å; L336-V368 HydrophobicContact CD1-CG1 4.14Å; L336-V368 HydrophobicContact CD1-CG2 4.02Å; F364-V368 HydrophobicContact CD1-CG2 4.41Å; F364-V368 HydrophobicContact CD2-CG2 4.33Å; F364-V368 HydrophobicContact CE1-CG2 4.04Å; F364-V368 HydrophobicContact CE2-CG2 3.92Å; F364-V368 HydrophobicContact CZ-CG2 3.76Å; F364-V368 WeakPolarHBondContact O-CG2 3.41Å; F364-V368 PolarHBondContact O-N 3.39Å; V365-V368 PolarHBondContact O-N 3.07Å; T366-V368 VanDerWaalsContact C-N 3.33Å; T366-V368 PolarHBondContact O-N 3.39Å; V368-Y370 PolarHBondContact O-N 2.83Å; V368-R371 PolarHBondContact O-N 3.25Å; V368-I372 HydrophobicContact CG1-CG1 4.34Å; V368-I372 WeakPolarHBondContact O-CG1 3.27Å; V368-I372 PolarHBondContact O-N 3.34Å
369A96.8Very high93.7Very high0 Ų043.7 Ų43.70%022%0.217CC..Hα-helixtrans-59-49.8-179.800000112.3P254 F256 L259 V365 T366 E367 R371 I372 Q373P254-A369 HydrophobicContact CB-CB 3.83Å; P254-A369 HydrophobicContact CG-CB 3.85Å; F256-A369 HydrophobicContact CD1-CB 3.83Å; F256-A369 HydrophobicContact CE1-CB 3.74Å; L259-A369 HydrophobicContact CD2-CB 3.49Å; L259-A369 VanDerWaalsContact CD2-CB 3.49Å; V365-A369 WeakPolarHBondContact O-CB 3.41Å; V365-A369 PolarHBondContact O-N 3.34Å; T366-A369 WeakPolarHBondContact O-CB 3.22Å; T366-A369 PolarHBondContact O-N 3.02Å; E367-A369 PolarHBondContact O-N 3.22Å; A369-R371 VanDerWaalsContact C-N 3.33Å; A369-R371 PolarHBondContact O-N 3.47Å; A369-I372 PolarHBondContact O-N 3.36Å; A369-Q373 PolarHBondContact O-N 3.04Å; A369-Q373 VanDerWaalsContact O-N 3.15Å
370Y96.1Very high93.9Very high32 Ų3236.4 Ų36.413%0.12518%0.183CC..Hα-helixtrans-64.9-38.1178.3-83.7-92.3000111.5P254 F256 T366 E367 V368 Q373 L374 I525 F526 P528P254-Y370 HydrophobicContact CG-CD2 3.84Å; P254-Y370 HydrophobicContact CG-CE2 3.82Å; P254-Y370 HydrophobicContact CG-CG 4.22Å; F256-Y370 HydrophobicContact CE1-CE2 4.31Å; F256-Y370 HydrophobicContact CZ-CE2 4.05Å; T366-Y370 HydrophobicContact CG2-CD2 3.87Å; T366-Y370 HydrophobicContact CG2-CE2 3.81Å; T366-Y370 VanDerWaalsContact O-CD2 3.32Å; T366-Y370 WeakPolarHBondContact O-CD2 3.33Å; T366-Y370 PolarHBondContact O-N 3.08Å; T366-Y370 VanDerWaalsContact O-N 3.13Å; E367-Y370 PolarHBondContact O-N 3.45Å; V368-Y370 PolarHBondContact O-N 2.83Å; Y370-Q373 PolarHBondContact O-N 2.88Å; Y370-L374 WeakPolarHBondContact O-CG 3.43Å; Y370-L374 PolarHBondContact O-N 2.98Å; Y370-I525 HydrophobicContact CD1-CG2 3.69Å; Y370-I525 HydrophobicContact CE1-CG2 4.29Å; Y370-F526 WeakPolarHBondContact CD1-O 3.24Å; Y370-F526 WeakPolarHBondContact CE1-O 3.49Å; Y370-P528 HydrophobicContact CD2-CG 4.33Å; Y370-P528 HydrophobicContact CE2-CG 4.39Å
371R95.6Very high94.1Very high103 Ų10330.4 Ų30.439%0.38915%0.151SC..Hα-helixtrans-63.5-44.3176.9-174.9172.2-179.3172-1112.3L336 E367 V368 A369 Q373 L374 L375L336-R371 VanDerWaalsContact CD2-NH1 3.3Å; E367-R371 VanDerWaalsContact O-CB 3.29Å; E367-R371 WeakPolarHBondContact O-CB 3.37Å; E367-R371 PolarHBondContact O-N 3.06Å; V368-R371 PolarHBondContact O-N 3.25Å; A369-R371 VanDerWaalsContact C-N 3.33Å; A369-R371 PolarHBondContact O-N 3.47Å; R371-Q373 VanDerWaalsContact C-N 3.33Å; R371-Q373 PolarHBondContact O-N 2.87Å; R371-L374 PolarHBondContact O-N 3.2Å; R371-L375 WeakPolarHBondContact O-CG 3.3Å; R371-L375 PolarHBondContact O-N 2.93Å
372I97.1Very high94.2Very high2 Ų230.2 Ų30.21%0.0115%0.151CC..Hα-helixtrans-61.6-42.4176.2-65.5-58.1000110.9L158 L241 F276 P278 V331 V368 A369 L374 L375 Q376L158-I372 HydrophobicContact CB-CG2 3.99Å; L158-I372 HydrophobicContact CD1-CB 4.43Å; L158-I372 HydrophobicContact CD1-CG1 4.16Å; L158-I372 HydrophobicContact CD1-CG2 3.69Å; L158-I372 HydrophobicContact CG-CG2 4.48Å; L241-I372 HydrophobicContact CD1-CB 3.82Å; L241-I372 HydrophobicContact CD1-CG2 3.53Å; F276-I372 HydrophobicContact CB-CD1 3.83Å; F276-I372 HydrophobicContact CB-CG1 4.45Å; P278-I372 HydrophobicContact CB-CG2 4.1Å; V331-I372 HydrophobicContact CB-CD1 4.21Å; V331-I372 HydrophobicContact CG2-CD1 3.98Å; V368-I372 HydrophobicContact CG1-CG1 4.34Å; V368-I372 WeakPolarHBondContact O-CG1 3.27Å; V368-I372 PolarHBondContact O-N 3.34Å; A369-I372 PolarHBondContact O-N 3.36Å; I372-L374 VanDerWaalsContact C-N 3.34Å; I372-L374 PolarHBondContact O-N 2.86Å; I372-L375 HydrophobicContact CD1-CD1 4.35Å; I372-L375 WeakPolarHBondContact O-CB 3.17Å; I372-L375 PolarHBondContact O-N 2.74Å; I372-Q376 WeakPolarHBondContact O-CG 3.41Å; I372-Q376 PolarHBondContact O-N 3.22Å
373Q95.1Very high94.3Very high0 Ų026.9 Ų26.90%014%0.135CC..Hα-helixtrans-65.1-36.5177-73-175.2-32.900113.3L241 T251 L252 P254 A369 Y370 R371 L375 Q376 I377 I525L241-Q373 HydrophobicContact CB-CG 4.45Å; L241-Q373 HydrophobicContact CD1-CG 4.07Å; T251-Q373 HydrophobicContact CG2-CB 4.41Å; T251-Q373 HydrophobicContact CG2-CG 4.49Å; L252-Q373 PolarHBondContact O-NE2 3.03Å; P254-Q373 VanDerWaalsContact CG-OE1 3.3Å; A369-Q373 PolarHBondContact O-N 3.04Å; A369-Q373 VanDerWaalsContact O-N 3.15Å; Y370-Q373 PolarHBondContact O-N 2.88Å; R371-Q373 VanDerWaalsContact C-N 3.33Å; R371-Q373 PolarHBondContact O-N 2.87Å; Q373-L375 VanDerWaalsContact C-N 3.3Å; Q373-L375 PolarHBondContact O-N 3.01Å; Q373-Q376 WeakPolarHBondContact O-CB 3.3Å; Q373-Q376 PolarHBondContact O-N 3.27Å; Q373-I377 WeakPolarHBondContact O-CG1 3.34Å; Q373-I377 PolarHBondContact O-N 3.17Å; Q373-I525 HydrophobicContact CB-CG2 4.26Å
374L94.8Very high94.4Very high46 Ų4623.8 Ų23.824%0.24111%0.113CC..Hα-helixtrans-63.9-37.3173.3-71170.3000111.5Y370 R371 I372 I377 E378 I525 L527Y370-L374 WeakPolarHBondContact O-CG 3.43Å; Y370-L374 PolarHBondContact O-N 2.98Å; R371-L374 PolarHBondContact O-N 3.2Å; I372-L374 VanDerWaalsContact C-N 3.34Å; I372-L374 PolarHBondContact O-N 2.86Å; L374-I377 HydrophobicContact CD2-CD1 4.49Å; L374-I377 PolarHBondContact O-N 3.47Å; L374-E378 WeakPolarHBondContact O-CB 3.41Å; L374-E378 PolarHBondContact O-N 3.06Å; L374-I525 HydrophobicContact CD2-CB 4.45Å; L374-I525 HydrophobicContact CD2-CG2 4Å; L374-I525 HydrophobicContact CG-CG2 4.11Å; L374-L527 HydrophobicContact CD1-CB 4.26Å
375L95.8Very high94.5Very high40 Ų4023.5 Ų23.521%0.20911%0.112CC..Hα-helixtrans-66.2-36.7172.7-66.9171.2000112.2P278 V331 R371 I372 Q373 I377 E378 N379P278-L375 HydrophobicContact CB-CB 3.94Å; P278-L375 HydrophobicContact CG-CB 3.92Å; P278-L375 HydrophobicContact CG-CD1 4.13Å; V331-L375 HydrophobicContact CG2-CD1 3.77Å; R371-L375 WeakPolarHBondContact O-CG 3.3Å; R371-L375 PolarHBondContact O-N 2.93Å; I372-L375 HydrophobicContact CD1-CD1 4.35Å; I372-L375 WeakPolarHBondContact O-CB 3.17Å; I372-L375 PolarHBondContact O-N 2.74Å; Q373-L375 VanDerWaalsContact C-N 3.3Å; Q373-L375 PolarHBondContact O-N 3.01Å; L375-I377 VanDerWaalsContact C-N 3.34Å; L375-E378 PolarHBondContact O-N 3.43Å; L375-N379 WeakPolarHBondContact O-CB 3.28Å; L375-N379 VanDerWaalsContact O-CG 3.32Å; L375-N379 PolarHBondContact O-N 3Å; L375-N379 VanDerWaalsContact O-N 3.1Å; L375-N379 PolarHBondContact O-ND2 2.99Å
376Q95.6Very high94.5Very high6 Ų623.5 Ų23.53%0.02811%0.112CC..Hα-helixtrans-62.5-43.6172-66.7171.1-28.300111.1L158 P159 P278 S280 I372 Q373 N379 L380L158-Q376 PolarHBondContact O-NE2 3.44Å; P159-Q376 VanDerWaalsContact C-NE2 3.3Å; P159-Q376 PolarHBondContact O-NE2 3.38Å; P278-Q376 HydrophobicContact CB-CG 4.05Å; S280-Q376 VanDerWaalsContact OG-C 3.28Å; S280-Q376 VanDerWaalsContact OG-CA 3.24Å; S280-Q376 WeakPolarHBondContact OG-CA 3.25Å; S280-Q376 PolarHBondContact OG-O 3.38Å; I372-Q376 WeakPolarHBondContact O-CG 3.41Å; I372-Q376 PolarHBondContact O-N 3.22Å; Q373-Q376 WeakPolarHBondContact O-CB 3.3Å; Q373-Q376 PolarHBondContact O-N 3.27Å; Q376-N379 PolarHBondContact O-N 2.88Å; Q376-L380 PolarHBondContact O-N 3.1Å
377I93.4Very high94.6Very high19 Ų1921.8 Ų21.810%0.09710%0.102CC..Hα-helixtrans-62.9-45.6177.4-74.4165.5000111.2T251 Q373 L374 L375 N379 L380 N486 I525T251-I377 HydrophobicContact CG2-CD1 4.28Å; Q373-I377 WeakPolarHBondContact O-CG1 3.34Å; Q373-I377 PolarHBondContact O-N 3.17Å; L374-I377 HydrophobicContact CD2-CD1 4.49Å; L374-I377 PolarHBondContact O-N 3.47Å; L375-I377 VanDerWaalsContact C-N 3.34Å; I377-N379 PolarHBondContact O-N 3.42Å; I377-L380 VanDerWaalsContact O-CB 3.26Å; I377-L380 WeakPolarHBondContact O-CB 3.47Å; I377-L380 PolarHBondContact O-N 3.24Å; I377-N486 HydrophobicContact CD1-CB 4.48Å; I377-N486 HydrophobicContact CG1-CB 4.29Å; I377-N486 HydrophobicContact CG2-CB 3.62Å; I377-I525 HydrophobicContact CD1-CB 4.03Å; I377-I525 HydrophobicContact CD1-CG1 4.06Å
378E91.1Very high94.7Very high98 Ų9819.1 Ų19.146%0.4589%0.089SC..Hα-helixtrans-60.1-37.2179.5-176.5176.3-177.100111.7W31 L374 L375 L380W31-E378 WeakPolarHBondContact CH2-O 3.28Å; L374-E378 WeakPolarHBondContact O-CB 3.41Å; L374-E378 PolarHBondContact O-N 3.06Å; L375-E378 PolarHBondContact O-N 3.43Å; E378-L380 VanDerWaalsContact C-N 3.33Å
379N92Very high94.6Very high5 Ų519 Ų193%0.0279%0.088CC..THydrogen-bonded Turntrans-9112.3-179.2-67-35.6000114K29 S280 Y326 L375 Q376 I377 A381K29-N379 PolarHBondContact NZ-OD1 2.84Å; K29-N379 VanDerWaalsContact NZ-OD1 3.12Å; S280-N379 WeakPolarHBondContact CB-O 3.19Å; Y326-N379 HydrophobicContact CD1-CB 3.38Å; Y326-N379 HydrophobicContact CE1-CB 3.69Å; Y326-N379 VanDerWaalsContact CE1-OD1 3.32Å; Y326-N379 WeakPolarHBondContact CE1-OD1 3.34Å; Y326-N379 HydrophobicContact CG-CB 4.08Å; L375-N379 WeakPolarHBondContact O-CB 3.28Å; L375-N379 VanDerWaalsContact O-CG 3.32Å; L375-N379 PolarHBondContact O-N 3Å; L375-N379 VanDerWaalsContact O-N 3.1Å; L375-N379 PolarHBondContact O-ND2 2.99Å; Q376-N379 PolarHBondContact O-N 2.88Å; I377-N379 PolarHBondContact O-N 3.42Å; N379-A381 PolarHBondContact O-N 3.27Å
380L92.4Very high94.5Very high19 Ų1919 Ų1910%0.0999%0.088CC..PPolyproline II helixtrans-72.8126179.2-173.970.6000110.5S282 Q376 I377 E378 L382S282-L380 WeakPolarHBondContact OG-CD1 3.49Å; Q376-L380 PolarHBondContact O-N 3.1Å; I377-L380 VanDerWaalsContact O-CB 3.26Å; I377-L380 WeakPolarHBondContact O-CB 3.47Å; I377-L380 PolarHBondContact O-N 3.24Å; E378-L380 VanDerWaalsContact C-N 3.33Å; L380-L382 HydrophobicContact CD2-CD2 3.86Å; L380-L382 HydrophobicContact CG-CD2 4.22Å
381A92.9Very high94.5Very high1 Ų117.6 Ų17.61%0.0088%0.083CC..EExtended strand (participates in β ladder)trans-88.8119.817600000109.9S282 H324 N379 F421 L423S282-A381 WeakPolarHBondContact CB-O 3.45Å; S282-A381 PolarHBondContact OG-N 2.98Å; S282-A381 PolarHBondContact OG-O 2.99Å; H324-A381 HydrophobicContact CB-CB 3.97Å; N379-A381 PolarHBondContact O-N 3.27Å; A381-F421 HydrophobicContact CB-CD1 3.62Å; A381-F421 HydrophobicContact CB-CE1 3.79Å; A381-L423 HydrophobicContact CB-CD1 3.54Å; A381-L423 HydrophobicContact CB-CD2 4.27Å; A381-L423 HydrophobicContact CB-CG 3.94Å
382L93.8Very high94.3Very high0 Ų012.8 Ų12.80%07%0.065CC..EExtended strand (participates in β ladder)trans-96.5138.4-175.1-61.3179.9000111.6L380 L386 T415 F421 L422 L423 L484 I487L380-L382 HydrophobicContact CD2-CD2 3.86Å; L380-L382 HydrophobicContact CG-CD2 4.22Å; L382-L386 HydrophobicContact CB-CD1 4.03Å; L382-L386 HydrophobicContact CD2-CD1 3.67Å; L382-L386 HydrophobicContact CG-CD1 4.44Å; L382-T415 HydrophobicContact CD1-CG2 3.55Å; L382-F421 VanDerWaalsContact CB-O 3.3Å; L382-F421 WeakPolarHBondContact CB-O 3.36Å; L382-F421 PolarHBondContact N-O 3.08Å; L382-L422 HydrophobicContact CB-CD1 3.86Å; L382-L422 WeakPolarHBondContact O-CD1 3.01Å; L382-L423 WeakPolarHBondContact O-CB 3.42Å; L382-L423 PolarHBondContact O-N 3.48Å; L382-L484 HydrophobicContact CD1-CD1 3.76Å; L382-I487 HydrophobicContact CD1-CD1 3.14Å; L382-I487 HydrophobicContact CD2-CD1 4.06Å; L382-I487 HydrophobicContact CG-CD1 3.86Å
383N92.6Very high94.1Very high8 Ų814 Ų144%0.0437%0.071CC..PPolyproline II helixtrans-94.7150.1177.7-66.1-31.8000112.1Y283 D284 W385 L386 L423Y283-N383 VanDerWaalsContact C-ND2 3.33Å; Y283-N383 PolarHBondContact O-ND2 3.46Å; Y283-N383 VanDerWaalsContact O-ND2 3.13Å; D284-N383 VanDerWaalsContact CA-ND2 3.26Å; D284-N383 WeakPolarHBondContact CA-ND2 3.26Å; D284-N383 PolarHBondContact N-ND2 2.83Å; D284-N383 PolarHBondContact OD1-ND2 3.07Å; D284-N383 PolarHBondContact OD1-OD1 3.39Å; N383-W385 PolarHBondContact O-N 2.83Å; N383-L386 HydrophobicContact CB-CG 4.28Å; N383-L386 WeakPolarHBondContact O-CB 3.4Å; N383-L386 WeakPolarHBondContact O-CG 3.47Å; N383-L386 PolarHBondContact O-N 3.04Å; N383-L423 WeakPolarHBondContact OD1-CD1 3.46Å
384P94.6Very high93.8Very high14 Ų1416.9 Ų16.99%0.0919%0.085CC..Hα-helixtrans-55.5-35.8177.4-26.935.4000113.5L386 L387 V388 L423 W424 V433P384-L386 PolarHBondContact O-N 3.14Å; P384-L386 VanDerWaalsContact O-N 3.17Å; P384-L387 WeakPolarHBondContact O-CB 3.39Å; P384-L387 PolarHBondContact O-N 2.85Å; P384-V388 PolarHBondContact O-N 3.19Å; P384-L423 WeakPolarHBondContact CD-O 3.27Å; P384-W424 HydrophobicContact CB-CE3 4.01Å; P384-W424 HydrophobicContact CB-CZ3 3.87Å; P384-W424 HydrophobicContact CG-CE3 3.89Å; P384-W424 HydrophobicContact CG-CZ3 4.26Å; P384-V433 HydrophobicContact CB-CG1 3.72Å; P384-V433 HydrophobicContact CG-CG1 3.63Å
385W95.2Very high93Very high4 Ų417.4 Ų17.42%0.0159%0.088CC..Hα-helixtrans-52.8-36176.1176.8-118.2000113.6N383 L387 V388 V389 I438 H441 L444 A445 Y480N383-W385 PolarHBondContact O-N 2.83Å; W385-L387 VanDerWaalsContact C-N 3.25Å; W385-L387 PolarHBondContact O-N 3.03Å; W385-V388 HydrophobicContact CE3-CB 4.3Å; W385-V388 HydrophobicContact CE3-CG1 4.21Å; W385-V388 HydrophobicContact CZ3-CG1 4.12Å; W385-V388 PolarHBondContact O-N 2.95Å; W385-V389 HydrophobicContact CD2-CG2 3.62Å; W385-V389 HydrophobicContact CE3-CG2 4.05Å; W385-V389 HydrophobicContact CG-CG2 4.26Å; W385-V389 HydrophobicContact CH2-CG2 3.66Å; W385-V389 HydrophobicContact CZ2-CG2 3.18Å; W385-V389 HydrophobicContact CZ3-CG2 4.07Å; W385-V389 WeakPolarHBondContact O-CG2 3.5Å; W385-V389 PolarHBondContact O-N 3.13Å; W385-I438 HydrophobicContact CZ3-CG1 4.15Å; W385-H441 AromaticContact CD1-CD2 3.48Å; W385-H441 VanDerWaalsContact CD1-CD2 3.48Å; W385-H441 AromaticContact CD1-CE1 3.49Å; W385-H441 VanDerWaalsContact CD1-CE1 3.49Å; W385-H441 AromaticContact CD1-CG 3.83Å; W385-H441 AromaticContact CD1-ND1 3.83Å; W385-H441 AromaticContact CD1-NE2 3.28Å; W385-H441 VanDerWaalsContact CD1-NE2 3.28Å; W385-H441 HydrophobicContact CD2-CB 3.95Å; W385-H441 AromaticContact CD2-CD2 3.33Å; W385-H441 AromaticContact CD2-CG 3.62Å; W385-H441 AromaticContact CD2-NE2 3.98Å; W385-H441 AromaticContact CE2-CD2 3.58Å; W385-H441 AromaticContact CE2-CG 3.34Å; W385-H441 AromaticContact CE2-ND1 3.8Å; W385-H441 HydrophobicContact CE3-CB 4.14Å; W385-H441 AromaticContact CE3-CD2 3.93Å; W385-H441 AromaticContact CG-CD2 3.3Å; W385-H441 AromaticContact CG-CG 3.93Å; W385-H441 AromaticContact CG-NE2 3.44Å; W385-H441 HydrophobicContact CH2-CB 3.65Å; W385-H441 HydrophobicContact CZ2-CB 3.41Å; W385-H441 VanDerWaalsContact CZ2-CB 3.41Å; W385-H441 AromaticContact CZ2-CG 3.77Å; W385-H441 HydrophobicContact CZ3-CB 4Å; W385-H441 AromaticContact NE1-CD2 3.64Å; W385-H441 AromaticContact NE1-CE1 3.59Å; W385-H441 AromaticContact NE1-CG 3.48Å; W385-H441 AromaticContact NE1-ND1 3.45Å; W385-H441 PolarHBondContact NE1-ND1 3.49Å; W385-H441 AromaticContact NE1-NE2 3.73Å; W385-L444 HydrophobicContact CH2-CB 4.38Å; W385-L444 HydrophobicContact CZ2-CB 4.04Å; W385-L444 HydrophobicContact CZ2-CD1 3.89Å; W385-A445 HydrophobicContact CH2-CB 3.83Å; W385-A445 HydrophobicContact CZ3-CB 4.3Å; W385-Y480 AromaticContact CD1-CD1 3.49Å; W385-Y480 VanDerWaalsContact CD1-CD1 3.49Å; W385-Y480 AromaticContact CD1-CE1 3.77Å; W385-Y480 AromaticContact CD1-CG 3.64Å; W385-Y480 AromaticContact NE1-CD1 3.7Å; W385-Y480 AromaticContact NE1-CD2 3.37Å; W385-Y480 AromaticContact NE1-CE1 3.92Å; W385-Y480 AromaticContact NE1-CE2 3.64Å; W385-Y480 AromaticContact NE1-CG 3.41Å; W385-Y480 AromaticContact NE1-CZ 3.91Å
386L95.4Very high91.8Very high1 Ų123.5 Ų23.51%0.00512%0.115CC..Hα-helixtrans-62.2-36.6179.8-49.4179.5000111.5L382 N383 P384 A390 Y480 Q483L382-L386 HydrophobicContact CB-CD1 4.03Å; L382-L386 HydrophobicContact CD2-CD1 3.67Å; L382-L386 HydrophobicContact CG-CD1 4.44Å; N383-L386 HydrophobicContact CB-CG 4.28Å; N383-L386 WeakPolarHBondContact O-CB 3.4Å; N383-L386 WeakPolarHBondContact O-CG 3.47Å; N383-L386 PolarHBondContact O-N 3.04Å; P384-L386 PolarHBondContact O-N 3.14Å; P384-L386 VanDerWaalsContact O-N 3.17Å; L386-A390 WeakPolarHBondContact O-CB 3.49Å; L386-A390 PolarHBondContact O-N 3Å; L386-A390 VanDerWaalsContact O-N 3.16Å; L386-Y480 HydrophobicContact CD2-CD1 3.65Å; L386-Y480 HydrophobicContact CD2-CG 4.26Å; L386-Y480 WeakPolarHBondContact CD2-O 3.12Å; L386-Q483 HydrophobicContact CD1-CB 4.05Å; L386-Q483 HydrophobicContact CD2-CB 4.37Å
387L96Very high91.1Very high0 Ų025 Ų250%012%0.123CC..Hα-helixtrans-72.6-46.3178.4-49.8-172.6000110.6P384 W385 V389 A390 I391 T408 L411 K412 L422 L484P384-L387 WeakPolarHBondContact O-CB 3.39Å; P384-L387 PolarHBondContact O-N 2.85Å; W385-L387 VanDerWaalsContact C-N 3.25Å; W385-L387 PolarHBondContact O-N 3.03Å; L387-V389 PolarHBondContact O-N 3.16Å; L387-A390 PolarHBondContact O-N 3.03Å; L387-I391 WeakPolarHBondContact O-CD1 3.23Å; L387-I391 WeakPolarHBondContact O-CG1 3.31Å; L387-I391 PolarHBondContact O-N 3.37Å; L387-I391 VanDerWaalsContact O-N 3.1Å; L387-T408 HydrophobicContact CB-CG2 4.06Å; L387-L411 HydrophobicContact CB-CD2 3.94Å; L387-L411 HydrophobicContact CB-CG 4.33Å; L387-L411 HydrophobicContact CD2-CD2 4.16Å; L387-L411 HydrophobicContact CD2-CG 4.08Å; L387-K412 HydrophobicContact CD1-CB 3.9Å; L387-L422 HydrophobicContact CD1-CD1 3.8Å; L387-L422 HydrophobicContact CD1-CD2 3.75Å; L387-L422 HydrophobicContact CD1-CG 4.47Å; L387-L422 HydrophobicContact CD2-CD1 4.37Å; L387-L422 HydrophobicContact CG-CD1 4.12Å; L387-L484 HydrophobicContact CD2-CD1 3.66Å; L387-L484 HydrophobicContact CD2-CD2 4Å; L387-L484 HydrophobicContact CD2-CG 4.49Å
388V95.4Very high90.7Very high0 Ų026.4 Ų26.40%014%0.135CC..Hα-helixtrans-56.3-49.6178174.10000110.6P384 W385 A390 I391 L392 L404 T408 V434P384-V388 PolarHBondContact O-N 3.19Å; W385-V388 HydrophobicContact CE3-CB 4.3Å; W385-V388 HydrophobicContact CE3-CG1 4.21Å; W385-V388 HydrophobicContact CZ3-CG1 4.12Å; W385-V388 PolarHBondContact O-N 2.95Å; V388-A390 PolarHBondContact O-N 2.86Å; V388-I391 PolarHBondContact O-N 2.7Å; V388-L392 HydrophobicContact CG1-CD1 3.94Å; V388-L392 WeakPolarHBondContact O-CG 3.31Å; V388-L392 PolarHBondContact O-N 3.15Å; V388-L404 HydrophobicContact CG1-CD1 4.3Å; V388-L404 HydrophobicContact CG1-CD2 4.01Å; V388-L404 HydrophobicContact CG1-CG 4.44Å; V388-T408 HydrophobicContact CG2-CG2 3.98Å; V388-V434 HydrophobicContact CG2-CG1 4.08Å; V388-V434 HydrophobicContact CG2-CG2 4.15Å
389V94.9Very high90.7Very high0 Ų022.7 Ų22.70%012%0.117CC..Hα-helixtrans-65.3-40.9179.6172.90000112.1W385 L387 I391 L392 L393 C477W385-V389 HydrophobicContact CD2-CG2 3.62Å; W385-V389 HydrophobicContact CE3-CG2 4.05Å; W385-V389 HydrophobicContact CG-CG2 4.26Å; W385-V389 HydrophobicContact CH2-CG2 3.66Å; W385-V389 HydrophobicContact CZ2-CG2 3.18Å; W385-V389 HydrophobicContact CZ3-CG2 4.07Å; W385-V389 WeakPolarHBondContact O-CG2 3.5Å; W385-V389 PolarHBondContact O-N 3.13Å; L387-V389 PolarHBondContact O-N 3.16Å; V389-I391 VanDerWaalsContact C-N 3.25Å; V389-I391 PolarHBondContact O-N 3.13Å; V389-L392 PolarHBondContact O-N 3.25Å; V389-L393 HydrophobicContact CG1-CD1 3.82Å; V389-L393 HydrophobicContact CG1-CG 4.07Å; V389-L393 WeakPolarHBondContact O-CB 3.29Å; V389-L393 WeakPolarHBondContact O-CG 3.04Å; V389-L393 PolarHBondContact O-N 3.23Å; V389-C477 HydrophobicContact CG1-CB 3.67Å; V389-C477 WeakPolarHBondContact CG1-O 3.38Å
390A95Very high90.7Very high0 Ų024.9 Ų24.90%013%0.129CC..Hα-helixtrans-58.4-40.2177.400000111.7L386 L387 V388 Q394 L411 R481 L484L386-A390 WeakPolarHBondContact O-CB 3.49Å; L386-A390 PolarHBondContact O-N 3Å; L386-A390 VanDerWaalsContact O-N 3.16Å; L387-A390 PolarHBondContact O-N 3.03Å; V388-A390 PolarHBondContact O-N 2.86Å; A390-Q394 PolarHBondContact O-N 2.76Å; A390-L411 HydrophobicContact CB-CD2 4.18Å; A390-R481 HydrophobicContact CB-CG 4.22Å; A390-L484 HydrophobicContact CB-CD2 3.95Å
391I95Very high90.8Very high4 Ų424.3 Ų24.32%0.02113%0.126CC..Hα-helixtrans-68.8-47.8176.9-67.7158.6000111.2L387 V388 V389 L393 Q394 N395 M399 L404 K407 T408 L411L387-I391 WeakPolarHBondContact O-CD1 3.23Å; L387-I391 WeakPolarHBondContact O-CG1 3.31Å; L387-I391 PolarHBondContact O-N 3.37Å; L387-I391 VanDerWaalsContact O-N 3.1Å; V388-I391 PolarHBondContact O-N 2.7Å; V389-I391 VanDerWaalsContact C-N 3.25Å; V389-I391 PolarHBondContact O-N 3.13Å; I391-L393 VanDerWaalsContact C-N 3.3Å; I391-L393 PolarHBondContact O-N 3.23Å; I391-Q394 PolarHBondContact O-N 3.37Å; I391-Q394 VanDerWaalsContact O-N 3.15Å; I391-N395 PolarHBondContact O-N 3.18Å; I391-N395 PolarHBondContact O-ND2 3.14Å; I391-M399 HydrophobicContact CG2-CE 4Å; I391-M399 HydrophobicContact CG2-SD 4.04Å; I391-L404 HydrophobicContact CB-CD1 4.21Å; I391-L404 HydrophobicContact CG2-CD1 3.8Å; I391-K407 HydrophobicContact CD1-CB 3.8Å; I391-K407 WeakPolarHBondContact CD1-O 3.28Å; I391-K407 HydrophobicContact CG1-CB 4.3Å; I391-K407 HydrophobicContact CG2-CB 3.96Å; I391-K407 HydrophobicContact CG2-CD 3.92Å; I391-T408 VanDerWaalsContact CD1-CA 3.41Å; I391-T408 VanDerWaalsContact CD1-N 3.32Å; I391-T408 WeakPolarHBondContact CD1-OG1 3.24Å; I391-L411 HydrophobicContact CD1-CB 4.23Å; I391-L411 HydrophobicContact CD1-CD2 4.1Å; I391-L411 HydrophobicContact CG1-CD2 3.99Å
392L92.6Very high90.8Very high1 Ų129.4 Ų29.41%0.00515%0.153CC..Hα-helixtrans-60-40.6-179.4-71.1172.4000112.1V388 V389 Q394 L397 M399 L404 V452 L454V388-L392 HydrophobicContact CG1-CD1 3.94Å; V388-L392 WeakPolarHBondContact O-CG 3.31Å; V388-L392 PolarHBondContact O-N 3.15Å; V389-L392 PolarHBondContact O-N 3.25Å; L392-Q394 VanDerWaalsContact C-N 3.3Å; L392-Q394 PolarHBondContact O-N 2.98Å; L392-L397 PolarHBondContact O-N 3.02Å; L392-M399 HydrophobicContact CD2-CB 4.03Å; L392-L404 HydrophobicContact CD2-CD1 4.03Å; L392-L404 HydrophobicContact CD2-CD2 4.28Å; L392-L404 HydrophobicContact CG-CD1 4.08Å; L392-V452 HydrophobicContact CD1-CG1 4.09Å; L392-V452 HydrophobicContact CD2-CG1 4.43Å; L392-L454 HydrophobicContact CB-CD1 3.9Å; L392-L454 HydrophobicContact CB-CG 4.29Å; L392-L454 HydrophobicContact CD1-CD2 4Å; L392-L454 HydrophobicContact CD1-CG 4.1Å
393L91.5Very high90.9Very high28 Ų2832 Ų3215%0.14717%0.17CC..Hα-helixtrans-66.4-27.7178.1-72.5179.9000113.5V389 I391 L397 L454 L474 C477 R481 F619V389-L393 HydrophobicContact CG1-CD1 3.82Å; V389-L393 HydrophobicContact CG1-CG 4.07Å; V389-L393 WeakPolarHBondContact O-CB 3.29Å; V389-L393 WeakPolarHBondContact O-CG 3.04Å; V389-L393 PolarHBondContact O-N 3.23Å; I391-L393 VanDerWaalsContact C-N 3.3Å; I391-L393 PolarHBondContact O-N 3.23Å; L393-L397 HydrophobicContact CD2-CD2 3.95Å; L393-L454 HydrophobicContact CD2-CD1 4.29Å; L393-L474 HydrophobicContact CD2-CD2 4.22Å; L393-C477 HydrophobicContact CD1-CB 4.08Å; L393-C477 HydrophobicContact CD2-CB 4Å; L393-C477 HydrophobicContact CG-CB 4.3Å; L393-R481 HydrophobicContact CD1-CB 4.05Å; L393-F619 HydrophobicContact CD2-CE1 4.35Å; L393-F619 HydrophobicContact CD2-CZ 3.89Å
394Q89.3Confident91Very high60 Ų6031.7 Ų31.728%0.2817%0.168SC..Hα-helixtrans-87.6-25.9-179.6-75.6-173.1-5.200114.6A390 I391 L392 F567A390-Q394 PolarHBondContact O-N 2.76Å; I391-Q394 PolarHBondContact O-N 3.37Å; I391-Q394 VanDerWaalsContact O-N 3.15Å; L392-Q394 VanDerWaalsContact C-N 3.3Å; L392-Q394 PolarHBondContact O-N 2.98Å; Q394-F567 PolarHBondContact NE2-O 3.44Å
395N78.6Confident91.1Very high58 Ų5831.8 Ų31.831%0.3117%0.168SC..Hα-helixtrans-105-30.2-163.5-71.2-100.2000115.7I391 M399 K407I391-N395 PolarHBondContact O-N 3.18Å; I391-N395 PolarHBondContact O-ND2 3.14Å; N395-M399 HydrophobicContact CB-CE 3.3Å; N395-K407 PolarHBondContact OD1-NZ 3.08Å
396Q70.8Confident91.1Very high167 Ų16738.2 Ų38.278%0.7820%0.198SC*.THydrogen-bonded Turntrans158.124.2169.3-92.3168.128.100114.3S398Q396-S398 PolarHBondContact O-N 2.77Å
397L80.7Confident91.1Very high39 Ų3941.7 Ų41.720%0.20421%0.213CC..SBendtrans62.2-3.1-180-45.5175.5000115.7L392 L393 L454 V456 L474L392-L397 PolarHBondContact O-N 3.02Å; L393-L397 HydrophobicContact CD2-CD2 3.95Å; L397-L454 HydrophobicContact CB-CB 4.35Å; L397-L454 HydrophobicContact CB-CD1 4.18Å; L397-L454 HydrophobicContact CD2-CD1 3.72Å; L397-L454 WeakPolarHBondContact O-CB 3.5Å; L397-L454 PolarHBondContact O-N 3Å; L397-V456 HydrophobicContact CB-CG2 4.47Å; L397-V456 HydrophobicContact CD1-CG2 3.95Å; L397-L474 HydrophobicContact CD1-CD2 4.13Å; L397-L474 HydrophobicContact CD2-CD2 3.87Å
398S85.3Confident91.1Very high48 Ų4841.7 Ų41.734%0.33621%0.213SC..EExtended strand (participates in β ladder)trans-141.5144170.565.50000110.4Q396 V452Q396-S398 PolarHBondContact O-N 2.77Å; S398-V452 CarbonylContact C-O 3.51Å; S398-V452 WeakPolarHBondContact CA-O 3.27Å
399M90.3Very high91.2Very high19 Ų1944.8 Ų44.89%0.09423%0.229CC..EExtended strand (participates in β ladder)trans-155.8148.5-178.5-168.3169.8-76.300110.6I391 L392 N395 T403 L404 K407 R451 V452I391-M399 HydrophobicContact CG2-CE 4Å; I391-M399 HydrophobicContact CG2-SD 4.04Å; L392-M399 HydrophobicContact CD2-CB 4.03Å; N395-M399 HydrophobicContact CB-CE 3.3Å; M399-T403 HydrophobicContact CG-CG2 4.15Å; M399-T403 HydrophobicContact SD-CG2 3.92Å; M399-L404 HydrophobicContact CB-CB 4.49Å; M399-L404 HydrophobicContact CG-CB 4.19Å; M399-L404 HydrophobicContact SD-CB 3.93Å; M399-L404 HydrophobicContact SD-CD1 4.01Å; M399-K407 HydrophobicContact CE-CD 3.92Å; M399-K407 HydrophobicContact SD-CD 3.93Å; M399-R451 CarbonylContact O-C 3.51Å; M399-R451 WeakPolarHBondContact O-CA 3.31Å; M399-V452 PolarHBondContact N-O 2.88Å; M399-V452 PolarHBondContact O-N 3.44Å
400D93.2Very high91.2Very high52 Ų5249.7 Ų49.728%0.27825%0.248SC..EExtended strand (participates in β ladder)trans-61.5140.4167.5-174.983.7000111.2D402 T403 L404D400-D402 PolarHBondContact O-N 3.17Å; D400-D402 WeakPolarHBondContact OD2-CB 3.2Å; D400-D402 PolarHBondContact OD2-N 3.27Å; D400-D402 VanDerWaalsContact OD2-N 3.14Å; D400-T403 PolarHBondContact O-N 3.4Å; D400-L404 WeakPolarHBondContact O-CB 3.21Å; D400-L404 PolarHBondContact O-N 3.34Å
401L93.3Very high91.3Very high6 Ų649.7 Ų49.73%0.03125%0.248CC..Hα-helixtrans-60.8-43.1-174-179.464.4000112.1T403 L404 V405 E431 V434 Q435 I438 L447 D450 V452L401-T403 PolarHBondContact O-N 2.92Å; L401-L404 WeakPolarHBondContact O-CB 3.3Å; L401-L404 PolarHBondContact O-N 3.24Å; L401-L404 VanDerWaalsContact O-N 3.16Å; L401-V405 HydrophobicContact CD1-CG2 4.26Å; L401-V405 HydrophobicContact CG-CG2 4.42Å; L401-V405 WeakPolarHBondContact O-CG2 3.48Å; L401-V405 PolarHBondContact O-N 3.38Å; L401-E431 HydrophobicContact CD2-CG 4.16Å; L401-V434 HydrophobicContact CD1-CG1 4.17Å; L401-Q435 HydrophobicContact CD1-CG 4.41Å; L401-Q435 HydrophobicContact CD2-CG 4.07Å; L401-I438 HydrophobicContact CD1-CD1 4.5Å; L401-L447 HydrophobicContact CB-CD1 4.2Å; L401-L447 HydrophobicContact CD1-CD1 4.47Å; L401-L447 HydrophobicContact CD2-CD1 4.3Å; L401-L447 HydrophobicContact CD2-CD2 4.43Å; L401-D450 WeakPolarHBondContact CB-O 3.1Å; L401-D450 PolarHBondContact N-O 2.9Å; L401-V452 HydrophobicContact CD1-CG2 3.85Å
402D94.3Very high91.3Very high109 Ų10951.2 Ų51.258%0.58325%0.254SS*.Hα-helixtrans-64.3-44.5-177.5-67.7-23.7000110.7D400 L404 V405 E406D400-D402 PolarHBondContact O-N 3.17Å; D400-D402 WeakPolarHBondContact OD2-CB 3.2Å; D400-D402 PolarHBondContact OD2-N 3.27Å; D400-D402 VanDerWaalsContact OD2-N 3.14Å; D402-L404 VanDerWaalsContact C-N 3.3Å; D402-L404 PolarHBondContact O-N 3.4Å; D402-V405 PolarHBondContact O-N 3.43Å; D402-E406 PolarHBondContact O-N 3.04Å
403T94.6Very high91.4Very high55 Ų5552.9 Ų52.934%0.33727%0.272SS..Hα-helixtrans-63-38.3176.2-56.60000111.5M399 D400 L401 K407M399-T403 HydrophobicContact CG-CG2 4.15Å; M399-T403 HydrophobicContact SD-CG2 3.92Å; D400-T403 PolarHBondContact O-N 3.4Å; L401-T403 PolarHBondContact O-N 2.92Å; T403-K407 HydrophobicContact CG2-CD 4.28Å; T403-K407 WeakPolarHBondContact O-CG 3.25Å; T403-K407 PolarHBondContact O-N 2.82Å
404L95.2Very high91.5Very high0 Ų052 Ų520%027%0.268CS..Hα-helixtrans-67-42.1178.2-178.862.9000111.6V388 I391 L392 M399 D400 L401 D402 T408 V434 I438 V452V388-L404 HydrophobicContact CG1-CD1 4.3Å; V388-L404 HydrophobicContact CG1-CD2 4.01Å; V388-L404 HydrophobicContact CG1-CG 4.44Å; I391-L404 HydrophobicContact CB-CD1 4.21Å; I391-L404 HydrophobicContact CG2-CD1 3.8Å; L392-L404 HydrophobicContact CD2-CD1 4.03Å; L392-L404 HydrophobicContact CD2-CD2 4.28Å; L392-L404 HydrophobicContact CG-CD1 4.08Å; M399-L404 HydrophobicContact CB-CB 4.49Å; M399-L404 HydrophobicContact CG-CB 4.19Å; M399-L404 HydrophobicContact SD-CB 3.93Å; M399-L404 HydrophobicContact SD-CD1 4.01Å; D400-L404 WeakPolarHBondContact O-CB 3.21Å; D400-L404 PolarHBondContact O-N 3.34Å; L401-L404 WeakPolarHBondContact O-CB 3.3Å; L401-L404 PolarHBondContact O-N 3.24Å; L401-L404 VanDerWaalsContact O-N 3.16Å; D402-L404 VanDerWaalsContact C-N 3.3Å; D402-L404 PolarHBondContact O-N 3.4Å; L404-T408 WeakPolarHBondContact O-CB 3.47Å; L404-T408 PolarHBondContact O-N 3.27Å; L404-T408 PolarHBondContact O-OG1 2.96Å; L404-V434 HydrophobicContact CD2-CG1 4.16Å; L404-V434 HydrophobicContact CG-CG1 4.43Å; L404-I438 HydrophobicContact CD2-CD1 4.41Å; L404-V452 HydrophobicContact CD2-CB 3.84Å; L404-V452 HydrophobicContact CD2-CG1 4.02Å; L404-V452 HydrophobicContact CD2-CG2 3.67Å
405V96.2Very high91.8Very high16 Ų1649.2 Ų49.210%0.09725%0.254CS..Hα-helixtrans-62.2-46.7176172.70000110.4L401 D402 K407 T408 L409 P430 E431 V434L401-V405 HydrophobicContact CD1-CG2 4.26Å; L401-V405 HydrophobicContact CG-CG2 4.42Å; L401-V405 WeakPolarHBondContact O-CG2 3.48Å; L401-V405 PolarHBondContact O-N 3.38Å; D402-V405 PolarHBondContact O-N 3.43Å; V405-K407 PolarHBondContact O-N 3.09Å; V405-T408 PolarHBondContact O-N 3.38Å; V405-L409 HydrophobicContact CG1-CD1 4.23Å; V405-L409 WeakPolarHBondContact O-CG 3.23Å; V405-L409 PolarHBondContact O-N 3.45Å; V405-P430 HydrophobicContact CG1-CB 3.82Å; V405-E431 HydrophobicContact CG2-CB 4.35Å; V405-E431 HydrophobicContact CG2-CG 4.32Å; V405-V434 HydrophobicContact CG2-CB 4.05Å; V405-V434 HydrophobicContact CG2-CG1 4.25Å; V405-V434 HydrophobicContact CG2-CG2 4.05Å
406E96Very high92.5Very high139 Ų13950.6 Ų50.665%0.6526%0.259SS*.Hα-helixtrans-58.1-51.4177.7-172-169.616500111.8D402 T408 L409 W410D402-E406 PolarHBondContact O-N 3.04Å; E406-T408 VanDerWaalsContact C-N 3.27Å; E406-T408 PolarHBondContact O-N 3.03Å; E406-L409 PolarHBondContact O-N 2.72Å; E406-W410 PolarHBondContact O-N 3.33Å
407K95.5Very high93.5Very high75 Ų7543.8 Ų43.833%0.32623%0.231SC..Hα-helixtrans-63.2-35178.2-74.7177.4177.7-106.90112.1I391 N395 M399 T403 V405 W410 L411I391-K407 HydrophobicContact CD1-CB 3.8Å; I391-K407 WeakPolarHBondContact CD1-O 3.28Å; I391-K407 HydrophobicContact CG1-CB 4.3Å; I391-K407 HydrophobicContact CG2-CB 3.96Å; I391-K407 HydrophobicContact CG2-CD 3.92Å; N395-K407 PolarHBondContact OD1-NZ 3.08Å; M399-K407 HydrophobicContact CE-CD 3.92Å; M399-K407 HydrophobicContact SD-CD 3.93Å; T403-K407 HydrophobicContact CG2-CD 4.28Å; T403-K407 WeakPolarHBondContact O-CG 3.25Å; T403-K407 PolarHBondContact O-N 2.82Å; V405-K407 PolarHBondContact O-N 3.09Å; K407-W410 PolarHBondContact O-N 3.43Å; K407-L411 WeakPolarHBondContact O-CB 3.39Å; K407-L411 PolarHBondContact O-N 3.04Å
408T96.3Very high94.1Very high0 Ų042.2 Ų42.20%022%0.223CC..Hα-helixtrans-67.2-41178.1-61.40000111.2L387 V388 I391 L404 V405 E406 L411 K412 W424 V434L387-T408 HydrophobicContact CB-CG2 4.06Å; V388-T408 HydrophobicContact CG2-CG2 3.98Å; I391-T408 VanDerWaalsContact CD1-CA 3.41Å; I391-T408 VanDerWaalsContact CD1-N 3.32Å; I391-T408 WeakPolarHBondContact CD1-OG1 3.24Å; L404-T408 WeakPolarHBondContact O-CB 3.47Å; L404-T408 PolarHBondContact O-N 3.27Å; L404-T408 PolarHBondContact O-OG1 2.96Å; V405-T408 PolarHBondContact O-N 3.38Å; E406-T408 VanDerWaalsContact C-N 3.27Å; E406-T408 PolarHBondContact O-N 3.03Å; T408-L411 PolarHBondContact O-N 2.82Å; T408-K412 WeakPolarHBondContact O-CB 3.26Å; T408-K412 PolarHBondContact O-N 2.58Å; T408-W424 HydrophobicContact CG2-CH2 4.17Å; T408-W424 HydrophobicContact CG2-CZ3 4.14Å; T408-V434 HydrophobicContact CG2-CG2 4.07Å
409L96.5Very high94.3Very high65 Ų6541.5 Ų41.534%0.3422%0.223SC..Hα-helixtrans-64.8-41.4173.9-74.6174.1000112.2V405 E406 K412 G413 W424 P430V405-L409 HydrophobicContact CG1-CD1 4.23Å; V405-L409 WeakPolarHBondContact O-CG 3.23Å; V405-L409 PolarHBondContact O-N 3.45Å; E406-L409 PolarHBondContact O-N 2.72Å; L409-K412 HydrophobicContact CD2-CD 4.35Å; L409-K412 WeakPolarHBondContact O-CB 3.31Å; L409-K412 PolarHBondContact O-N 2.78Å; L409-G413 PolarHBondContact O-N 3.31Å; L409-W424 HydrophobicContact CD2-CH2 4.19Å; L409-W424 HydrophobicContact CD2-CZ2 3.88Å; L409-P430 HydrophobicContact CD1-CB 3.79Å; L409-P430 HydrophobicContact CD1-CG 3.9Å; L409-P430 HydrophobicContact CD2-CB 3.82Å; L409-P430 HydrophobicContact CD2-CG 3.88Å; L409-P430 HydrophobicContact CG-CB 4.01Å; L409-P430 HydrophobicContact CG-CG 4.36Å
410W95.6Very high94.4Very high103 Ų10341 Ų4139%0.3922%0.222SC..Hα-helixtrans-59.8-47173.4174.682.9000111.5E406 K407 K412 G413 L414 V564 F567E406-W410 PolarHBondContact O-N 3.33Å; K407-W410 PolarHBondContact O-N 3.43Å; W410-K412 VanDerWaalsContact C-N 3.34Å; W410-K412 PolarHBondContact O-N 3.32Å; W410-G413 PolarHBondContact O-N 2.8Å; W410-L414 HydrophobicContact CH2-CD2 3.87Å; W410-L414 HydrophobicContact CZ2-CD2 4.22Å; W410-L414 HydrophobicContact CZ3-CD2 4.25Å; W410-L414 PolarHBondContact O-N 2.93Å; W410-V564 HydrophobicContact CZ2-CG2 3.87Å; W410-F567 HydrophobicContact CH2-CB 3.64Å; W410-F567 HydrophobicContact CH2-CD1 4.25Å; W410-F567 HydrophobicContact CH2-CD2 4.41Å; W410-F567 AromaticContact CH2-CG 3.84Å; W410-F567 HydrophobicContact CH2-CG 3.84Å; W410-F567 HydrophobicContact CZ3-CB 4Å; W410-F567 HydrophobicContact CZ3-CD1 4.22Å; W410-F567 AromaticContact CZ3-CD2 3.89Å; W410-F567 HydrophobicContact CZ3-CD2 3.89Å; W410-F567 AromaticContact CZ3-CG 3.75Å; W410-F567 HydrophobicContact CZ3-CG 3.75Å
411L96Very high94.3Very high0 Ų039.6 Ų39.60%021%0.214CC..Hα-helixtrans-68.1-32.5178.9-176.855.7000112.5L387 A390 I391 K407 T408 L414 T415 L484 F488 F567L387-L411 HydrophobicContact CB-CD2 3.94Å; L387-L411 HydrophobicContact CB-CG 4.33Å; L387-L411 HydrophobicContact CD2-CD2 4.16Å; L387-L411 HydrophobicContact CD2-CG 4.08Å; A390-L411 HydrophobicContact CB-CD2 4.18Å; I391-L411 HydrophobicContact CD1-CB 4.23Å; I391-L411 HydrophobicContact CD1-CD2 4.1Å; I391-L411 HydrophobicContact CG1-CD2 3.99Å; K407-L411 WeakPolarHBondContact O-CB 3.39Å; K407-L411 PolarHBondContact O-N 3.04Å; T408-L411 PolarHBondContact O-N 2.82Å; L411-L414 HydrophobicContact CD1-CB 4.49Å; L411-L414 HydrophobicContact CD1-CD2 4.31Å; L411-L414 PolarHBondContact O-N 3.44Å; L411-T415 WeakPolarHBondContact O-CB 3.42Å; L411-T415 PolarHBondContact O-N 3.09Å; L411-T415 PolarHBondContact O-OG1 3.29Å; L411-L484 HydrophobicContact CD2-CD2 4.23Å; L411-F488 HydrophobicContact CD1-CE1 4.34Å; L411-F488 HydrophobicContact CD1-CZ 3.93Å; L411-F567 HydrophobicContact CD1-CD1 4.31Å; L411-F567 HydrophobicContact CD1-CE1 3.42Å; L411-F567 VanDerWaalsContact CD1-CE1 3.42Å; L411-F567 HydrophobicContact CD1-CE2 4.09Å; L411-F567 HydrophobicContact CD1-CZ 3.3Å; L411-F567 HydrophobicContact CD2-CE2 4.03Å; L411-F567 HydrophobicContact CD2-CZ 3.67Å; L411-F567 HydrophobicContact CG-CZ 4.12Å
412K95.6Very high94.2Very high35 Ų3540 Ų4015%0.15222%0.216CC..Hα-helixtrans-57.1-51.7169.7161177.4-177-172.40110.3L387 T408 L409 W410 L414 T415 Q416 L422 W424L387-K412 HydrophobicContact CD1-CB 3.9Å; T408-K412 WeakPolarHBondContact O-CB 3.26Å; T408-K412 PolarHBondContact O-N 2.58Å; L409-K412 HydrophobicContact CD2-CD 4.35Å; L409-K412 WeakPolarHBondContact O-CB 3.31Å; L409-K412 PolarHBondContact O-N 2.78Å; W410-K412 VanDerWaalsContact C-N 3.34Å; W410-K412 PolarHBondContact O-N 3.32Å; K412-L414 VanDerWaalsContact C-N 3.32Å; K412-L414 PolarHBondContact O-N 3.49Å; K412-T415 PolarHBondContact O-N 3.17Å; K412-Q416 WeakPolarHBondContact O-CG 3.46Å; K412-Q416 PolarHBondContact O-N 2.75Å; K412-L422 HydrophobicContact CB-CD2 3.85Å; K412-L422 HydrophobicContact CD-CD2 3.92Å; K412-L422 HydrophobicContact CG-CD2 3.52Å; K412-W424 HydrophobicContact CD-CD2 3.67Å; K412-W424 HydrophobicContact CD-CE3 3.78Å; K412-W424 HydrophobicContact CD-CG 4.05Å; K412-W424 HydrophobicContact CD-CH2 4.45Å; K412-W424 HydrophobicContact CD-CZ2 4.38Å; K412-W424 HydrophobicContact CD-CZ3 4.17Å
413G94.4Very high94Very high36 Ų3636.4 Ų36.437%0.37120%0.197SC..Hα-helixtrans-59.6-42.4178.500000112.4L409 W410 Q416 A417L409-G413 PolarHBondContact O-N 3.31Å; W410-G413 PolarHBondContact O-N 2.8Å; G413-Q416 PolarHBondContact O-N 3.16Å; G413-A417 WeakPolarHBondContact O-CB 3.38Å; G413-A417 PolarHBondContact O-N 3.37Å
414L94.9Very high93.8Very high11 Ų1135 Ų356%0.05819%0.185CC..Hα-helixtrans-64.4-43.3176.8-172.562000112.4W410 L411 K412 Q416 A417 F418 F488 T545 V564 F567W410-L414 HydrophobicContact CH2-CD2 3.87Å; W410-L414 HydrophobicContact CZ2-CD2 4.22Å; W410-L414 HydrophobicContact CZ3-CD2 4.25Å; W410-L414 PolarHBondContact O-N 2.93Å; L411-L414 HydrophobicContact CD1-CB 4.49Å; L411-L414 HydrophobicContact CD1-CD2 4.31Å; L411-L414 PolarHBondContact O-N 3.44Å; K412-L414 VanDerWaalsContact C-N 3.32Å; K412-L414 PolarHBondContact O-N 3.49Å; L414-Q416 PolarHBondContact O-N 3.03Å; L414-A417 PolarHBondContact O-N 3.46Å; L414-F418 HydrophobicContact CD1-CE1 3.96Å; L414-F418 HydrophobicContact CD1-CE2 3.96Å; L414-F418 HydrophobicContact CD1-CZ 3.62Å; L414-F418 HydrophobicContact CD2-CE2 4.48Å; L414-F418 HydrophobicContact CG-CD2 4.43Å; L414-F418 HydrophobicContact CG-CE2 4.02Å; L414-F418 HydrophobicContact CG-CZ 4.21Å; L414-F418 WeakPolarHBondContact O-CG 3.03Å; L414-F418 PolarHBondContact O-N 2.98Å; L414-F488 HydrophobicContact CD2-CE1 3.91Å; L414-F488 HydrophobicContact CG-CE1 3.99Å; L414-F488 HydrophobicContact CG-CZ 4.45Å; L414-T545 HydrophobicContact CD1-CG2 3.78Å; L414-V564 HydrophobicContact CD1-CG1 4.11Å; L414-V564 HydrophobicContact CD2-CG1 4.3Å; L414-F567 HydrophobicContact CD2-CD1 4.09Å; L414-F567 HydrophobicContact CD2-CE1 4.42Å
415T94.9Very high93.4Very high0 Ų037.4 Ų37.40%020%0.201CC..Hα-helixtrans-61.3-44.3177.7-58.20000111.2L382 L411 K412 F418 G419 G420 L484 F488L382-T415 HydrophobicContact CD1-CG2 3.55Å; L411-T415 WeakPolarHBondContact O-CB 3.42Å; L411-T415 PolarHBondContact O-N 3.09Å; L411-T415 PolarHBondContact O-OG1 3.29Å; K412-T415 PolarHBondContact O-N 3.17Å; T415-F418 PolarHBondContact O-N 3.37Å; T415-G419 PolarHBondContact O-N 3.28Å; T415-G420 PolarHBondContact O-N 3.41Å; T415-L484 HydrophobicContact CG2-CD1 4.13Å; T415-F488 HydrophobicContact CG2-CE2 4.33Å; T415-F488 WeakPolarHBondContact OG1-CZ 3.22Å
416Q93.1Very high92.5Very high87 Ų8744 Ų4441%0.40724%0.236SC..Hα-helixtrans-65.3-40.4175.8-70.3176.4-46.100111.8K412 G413 L414 F418 G419K412-Q416 WeakPolarHBondContact O-CG 3.46Å; K412-Q416 PolarHBondContact O-N 2.75Å; G413-Q416 PolarHBondContact O-N 3.16Å; L414-Q416 PolarHBondContact O-N 3.03Å; Q416-F418 PolarHBondContact O-N 3.39Å; Q416-G419 PolarHBondContact O-N 3.17Å
417A92.2Very high91.8Very high25 Ų2545.3 Ų45.321%0.20725%0.247CC..Hα-helixtrans-60.7-35.6176.900000112.3G413 L414 G419 K544 T545G413-A417 WeakPolarHBondContact O-CB 3.38Å; G413-A417 PolarHBondContact O-N 3.37Å; L414-A417 PolarHBondContact O-N 3.46Å; A417-G419 VanDerWaalsContact C-N 3.26Å; A417-G419 PolarHBondContact O-N 3.47Å; A417-K544 PolarHBondContact O-NZ 3.49Å; A417-T545 HydrophobicContact CB-CG2 3.66Å
418F92.6Very high91.5Very high5 Ų545.9 Ų45.92%0.02225%0.251CS..THydrogen-bonded Turntrans-80.3-1.9175.4-66.3-8.6000114.6L414 T415 Q416 I487 F488 P491 L541 L542 T545 L568L414-F418 HydrophobicContact CD1-CE1 3.96Å; L414-F418 HydrophobicContact CD1-CE2 3.96Å; L414-F418 HydrophobicContact CD1-CZ 3.62Å; L414-F418 HydrophobicContact CD2-CE2 4.48Å; L414-F418 HydrophobicContact CG-CD2 4.43Å; L414-F418 HydrophobicContact CG-CE2 4.02Å; L414-F418 HydrophobicContact CG-CZ 4.21Å; L414-F418 WeakPolarHBondContact O-CG 3.03Å; L414-F418 PolarHBondContact O-N 2.98Å; T415-F418 PolarHBondContact O-N 3.37Å; Q416-F418 PolarHBondContact O-N 3.39Å; F418-I487 HydrophobicContact CB-CG2 3.77Å; F418-F488 AromaticContact CD2-CD1 3.57Å; F418-F488 HydrophobicContact CD2-CD1 3.57Å; F418-F488 AromaticContact CD2-CE1 3.45Å; F418-F488 HydrophobicContact CD2-CE1 3.45Å; F418-F488 VanDerWaalsContact CD2-CE1 3.45Å; F418-F488 HydrophobicContact CD2-CG 4.3Å; F418-F488 HydrophobicContact CD2-CZ 4.07Å; F418-F488 AromaticContact CE2-CD1 3.58Å; F418-F488 HydrophobicContact CE2-CD1 3.58Å; F418-F488 AromaticContact CE2-CE1 3.54Å; F418-F488 HydrophobicContact CE2-CE1 3.54Å; F418-P491 HydrophobicContact CD2-CG 3.87Å; F418-P491 HydrophobicContact CE2-CB 4Å; F418-P491 HydrophobicContact CE2-CG 3.62Å; F418-P491 HydrophobicContact CG-CG 4.49Å; F418-P491 HydrophobicContact CZ-CB 3.95Å; F418-P491 HydrophobicContact CZ-CG 4.04Å; F418-L541 HydrophobicContact CB-CD1 4.41Å; F418-L541 HydrophobicContact CD1-CB 3.8Å; F418-L541 HydrophobicContact CD1-CD1 4.4Å; F418-L541 HydrophobicContact CD1-CD2 4.27Å; F418-L541 HydrophobicContact CD1-CG 4.37Å; F418-L541 HydrophobicContact CE1-CB 3.88Å; F418-L541 WeakPolarHBondContact CE1-O 3Å; F418-L541 HydrophobicContact CG-CD1 4.44Å; F418-L542 HydrophobicContact CZ-CD2 4.37Å; F418-T545 HydrophobicContact CD1-CG2 4.07Å; F418-T545 HydrophobicContact CE1-CG2 3.49Å; F418-T545 VanDerWaalsContact CE1-CG2 3.49Å; F418-T545 HydrophobicContact CZ-CG2 4.33Å; F418-L568 HydrophobicContact CE2-CD2 4.02Å
419G89.9Confident91.3Very high34 Ų3451.2 Ų51.235%0.35128%0.279SS..THydrogen-bonded Turntrans8816.7174.900000114.3T415 Q416 A417T415-G419 PolarHBondContact O-N 3.28Å; Q416-G419 PolarHBondContact O-N 3.17Å; A417-G419 VanDerWaalsContact C-N 3.26Å; A417-G419 PolarHBondContact O-N 3.47Å
420G91.6Very high91.2Very high7 Ų750 Ų507%0.07228%0.275CS..  trans-71.9140171.300000111.9T415T415-G420 PolarHBondContact O-N 3.41Å
421F90.6Very high91.1Very high23 Ų2349 Ų4910%0.10128%0.275CS..EExtended strand (participates in β ladder)trans-87.1110172.9-177.7-135.9000110.2W31 F34 A381 L382 L423W31-F421 HydrophobicContact CB-CD2 3.88Å; W31-F421 HydrophobicContact CB-CE2 3.45Å; W31-F421 VanDerWaalsContact CB-CE2 3.45Å; W31-F421 HydrophobicContact CB-CZ 4Å; W31-F421 AromaticContact CD1-CD2 3.39Å; W31-F421 AromaticContact CD1-CE2 3.75Å; W31-F421 HydrophobicContact CD2-CB 3.83Å; W31-F421 HydrophobicContact CD2-CD1 4.19Å; W31-F421 AromaticContact CD2-CD2 3.23Å; W31-F421 HydrophobicContact CD2-CD2 3.23Å; W31-F421 AromaticContact CD2-CE2 3.81Å; W31-F421 HydrophobicContact CD2-CE2 3.81Å; W31-F421 AromaticContact CD2-CG 3.47Å; W31-F421 HydrophobicContact CD2-CG 3.47Å; W31-F421 VanDerWaalsContact CD2-CG 3.47Å; W31-F421 AromaticContact CE2-CD2 3.53Å; W31-F421 AromaticContact CE2-CG 3.73Å; W31-F421 HydrophobicContact CE3-CB 3.91Å; W31-F421 AromaticContact CE3-CD1 3.91Å; W31-F421 HydrophobicContact CE3-CD1 3.91Å; W31-F421 AromaticContact CE3-CD2 3.83Å; W31-F421 HydrophobicContact CE3-CD2 3.83Å; W31-F421 HydrophobicContact CE3-CE1 4.46Å; W31-F421 HydrophobicContact CE3-CE2 4.36Å; W31-F421 AromaticContact CE3-CG 3.59Å; W31-F421 HydrophobicContact CE3-CG 3.59Å; W31-F421 AromaticContact CG-CD2 3.2Å; W31-F421 HydrophobicContact CG-CD2 3.2Å; W31-F421 AromaticContact CG-CE2 3.34Å; W31-F421 HydrophobicContact CG-CE2 3.34Å; W31-F421 AromaticContact CG-CG 3.96Å; W31-F421 HydrophobicContact CG-CG 3.96Å; W31-F421 HydrophobicContact CG-CZ 4.21Å; W31-F421 HydrophobicContact CH2-CB 3.62Å; W31-F421 HydrophobicContact CH2-CG 4.26Å; W31-F421 HydrophobicContact CZ2-CB 3.52Å; W31-F421 HydrophobicContact CZ2-CD2 4.36Å; W31-F421 HydrophobicContact CZ2-CG 4.15Å; W31-F421 HydrophobicContact CZ3-CB 3.8Å; W31-F421 HydrophobicContact CZ3-CD1 4.3Å; W31-F421 AromaticContact CZ3-CG 3.99Å; W31-F421 HydrophobicContact CZ3-CG 3.99Å; W31-F421 AromaticContact NE1-CD2 3.56Å; F34-F421 HydrophobicContact CD2-CE1 4.39Å; F34-F421 HydrophobicContact CD2-CZ 4.26Å; F34-F421 AromaticContact CE2-CE1 3.34Å; F34-F421 HydrophobicContact CE2-CE1 3.34Å; F34-F421 AromaticContact CE2-CZ 3.54Å; F34-F421 HydrophobicContact CE2-CZ 3.54Å; F34-F421 AromaticContact CZ-CE1 3.73Å; F34-F421 HydrophobicContact CZ-CE1 3.73Å; F34-F421 HydrophobicContact CZ-CZ 4.38Å; A381-F421 HydrophobicContact CB-CD1 3.62Å; A381-F421 HydrophobicContact CB-CE1 3.79Å; L382-F421 VanDerWaalsContact CB-O 3.3Å; L382-F421 WeakPolarHBondContact CB-O 3.36Å; L382-F421 PolarHBondContact N-O 3.08Å; F421-L423 HydrophobicContact CE1-CD2 3.75Å; F421-L423 HydrophobicContact CE1-CG 4.39Å; F421-L423 HydrophobicContact CZ-CD2 3.82Å
422L91.6Very high90.9Very high15 Ų1553.4 Ų53.48%0.07930%0.295CS..EExtended strand (participates in β ladder)trans-105.5126.3-179.7-16975.2000110.6L382 L387 K412 W424L382-L422 HydrophobicContact CB-CD1 3.86Å; L382-L422 WeakPolarHBondContact O-CD1 3.01Å; L387-L422 HydrophobicContact CD1-CD1 3.8Å; L387-L422 HydrophobicContact CD1-CD2 3.75Å; L387-L422 HydrophobicContact CD1-CG 4.47Å; L387-L422 HydrophobicContact CD2-CD1 4.37Å; L387-L422 HydrophobicContact CG-CD1 4.12Å; K412-L422 HydrophobicContact CB-CD2 3.85Å; K412-L422 HydrophobicContact CD-CD2 3.92Å; K412-L422 HydrophobicContact CG-CD2 3.52Å; L422-W424 VanDerWaalsContact C-N 3.27Å; L422-W424 HydrophobicContact CD2-CB 4.19Å; L422-W424 HydrophobicContact CD2-CD2 4.47Å; L422-W424 HydrophobicContact CD2-CE3 3.75Å; L422-W424 HydrophobicContact CG-CB 4.39Å; L422-W424 PolarHBondContact O-N 3.38Å
423L90.7Very high90.9Very high33 Ų3351.9 Ų51.917%0.17329%0.289CS..  trans-81.175.4174.5-63.3162.8000109.4H324 A381 L382 N383 P384 F421H324-L423 HydrophobicContact CB-CD1 4.18Å; H324-L423 WeakPolarHBondContact CE1-CD1 3.21Å; H324-L423 VanDerWaalsContact CG-CD1 3.41Å; H324-L423 VanDerWaalsContact ND1-CD1 3.28Å; H324-L423 WeakPolarHBondContact ND1-CD1 3.41Å; A381-L423 HydrophobicContact CB-CD1 3.54Å; A381-L423 HydrophobicContact CB-CD2 4.27Å; A381-L423 HydrophobicContact CB-CG 3.94Å; L382-L423 WeakPolarHBondContact O-CB 3.42Å; L382-L423 PolarHBondContact O-N 3.48Å; N383-L423 WeakPolarHBondContact OD1-CD1 3.46Å; P384-L423 WeakPolarHBondContact CD-O 3.27Å; F421-L423 HydrophobicContact CE1-CD2 3.75Å; F421-L423 HydrophobicContact CE1-CG 4.39Å; F421-L423 HydrophobicContact CZ-CD2 3.82Å
424W89.6Confident90.9Very high25 Ų2550.2 Ų50.210%0.09527%0.271CS..  trans-104122.1178.2-165.2-78.5000110.2P384 T408 L409 K412 L422 D426 P430 V433P384-W424 HydrophobicContact CB-CE3 4.01Å; P384-W424 HydrophobicContact CB-CZ3 3.87Å; P384-W424 HydrophobicContact CG-CE3 3.89Å; P384-W424 HydrophobicContact CG-CZ3 4.26Å; T408-W424 HydrophobicContact CG2-CH2 4.17Å; T408-W424 HydrophobicContact CG2-CZ3 4.14Å; L409-W424 HydrophobicContact CD2-CH2 4.19Å; L409-W424 HydrophobicContact CD2-CZ2 3.88Å; K412-W424 HydrophobicContact CD-CD2 3.67Å; K412-W424 HydrophobicContact CD-CE3 3.78Å; K412-W424 HydrophobicContact CD-CG 4.05Å; K412-W424 HydrophobicContact CD-CH2 4.45Å; K412-W424 HydrophobicContact CD-CZ2 4.38Å; K412-W424 HydrophobicContact CD-CZ3 4.17Å; L422-W424 VanDerWaalsContact C-N 3.27Å; L422-W424 HydrophobicContact CD2-CB 4.19Å; L422-W424 HydrophobicContact CD2-CD2 4.47Å; L422-W424 HydrophobicContact CD2-CE3 3.75Å; L422-W424 HydrophobicContact CG-CB 4.39Å; L422-W424 PolarHBondContact O-N 3.38Å; W424-D426 PolarHBondContact O-N 2.84Å; W424-P430 HydrophobicContact CZ2-CB 4.01Å; W424-V433 HydrophobicContact CD2-CG1 4.17Å; W424-V433 HydrophobicContact CE3-CG1 4.1Å; W424-V433 HydrophobicContact CH2-CB 4.3Å; W424-V433 HydrophobicContact CH2-CG1 3.97Å; W424-V433 HydrophobicContact CZ2-CB 4.02Å; W424-V433 HydrophobicContact CZ2-CG1 4.01Å; W424-V433 HydrophobicContact CZ2-CG2 4.3Å; W424-V433 HydrophobicContact CZ3-CG1 4.01Å
425P86.4Confident90.8Very high52 Ų5252.6 Ų52.634%0.33828%0.282SS..  trans-64.5123.7176.9-19.931.7000111.6N427 Q428 V433P425-N427 VanDerWaalsContact C-N 3.31Å; P425-N427 PolarHBondContact O-N 3.3Å; P425-Q428 HydrophobicContact CB-CB 4.2Å; P425-Q428 HydrophobicContact CB-CG 4.11Å; P425-V433 HydrophobicContact CG-CG2 4.26Å
426D77.4Confident90.7Very high154 Ų15455.3 Ų55.382%0.82430%0.301SS*.THydrogen-bonded Turntrans-70.7-25.7-178-67.6-40.7000113.5W424W424-D426 PolarHBondContact O-N 2.84Å
427N82.1Confident90.8Very high166 Ų16651.8 Ų51.889%0.88829%0.286SS*.THydrogen-bonded Turntrans-98.18.3-172.6-65.6-11.7000114.3P425P425-N427 VanDerWaalsContact C-N 3.31Å; P425-N427 PolarHBondContact O-N 3.3Å
428Q88.8Confident90.8Very high88 Ų8851 Ų5141%0.41128%0.279SS..SBendtrans-117.2147.5-177.3-68.3-178.1-5.600111.3P425 V433P425-Q428 HydrophobicContact CB-CB 4.2Å; P425-Q428 HydrophobicContact CB-CG 4.11Å; Q428-V433 HydrophobicContact CB-CG2 3.81Å
429L92.9Very high90.8Very high112 Ų11256.9 Ų56.959%0.58631%0.31SS*.  trans-67.9144.3174.7-67173000109.7E431 E432 V433L429-E431 PolarHBondContact O-N 2.77Å; L429-E431 VanDerWaalsContact O-N 3.14Å; L429-E432 HydrophobicContact CB-CG 4.1Å; L429-E432 PolarHBondContact N-OE2 3.05Å; L429-E432 WeakPolarHBondContact O-CB 3.42Å; L429-E432 PolarHBondContact O-N 3.31Å; L429-V433 PolarHBondContact O-N 3.04Å
430P93.4Very high91Very high40 Ų4056.8 Ų56.826%0.2630%0.301SS..Hα-helixtrans-54.9-35.1-179.4-30.637.5000114.8V405 L409 W424 V433 V434V405-P430 HydrophobicContact CG1-CB 3.82Å; L409-P430 HydrophobicContact CD1-CB 3.79Å; L409-P430 HydrophobicContact CD1-CG 3.9Å; L409-P430 HydrophobicContact CD2-CB 3.82Å; L409-P430 HydrophobicContact CD2-CG 3.88Å; L409-P430 HydrophobicContact CG-CB 4.01Å; L409-P430 HydrophobicContact CG-CG 4.36Å; W424-P430 HydrophobicContact CZ2-CB 4.01Å; P430-V433 PolarHBondContact O-N 3.48Å; P430-V434 WeakPolarHBondContact O-CG2 3.45Å; P430-V434 PolarHBondContact O-N 3.24Å; P430-V434 VanDerWaalsContact O-N 3.09Å
431E93.6Very high91.1Very high82 Ų8256.6 Ų56.638%0.38330%0.298SS..Hα-helixtrans-63.2-45.3176.6-168.2-174.7162.100111.8L401 V405 L429 V433 V434 Q435L401-E431 HydrophobicContact CD2-CG 4.16Å; V405-E431 HydrophobicContact CG2-CB 4.35Å; V405-E431 HydrophobicContact CG2-CG 4.32Å; L429-E431 PolarHBondContact O-N 2.77Å; L429-E431 VanDerWaalsContact O-N 3.14Å; E431-V433 VanDerWaalsContact C-N 3.3Å; E431-V433 PolarHBondContact O-N 3.45Å; E431-V434 PolarHBondContact O-N 2.76Å; E431-Q435 HydrophobicContact CG-CG 4.44Å; E431-Q435 WeakPolarHBondContact O-CB 3.41Å; E431-Q435 VanDerWaalsContact O-CG 3.31Å; E431-Q435 WeakPolarHBondContact O-CG 3.25Å; E431-Q435 PolarHBondContact O-N 2.88Å; E431-Q435 PolarHBondContact OE1-NE2 3.41Å
432E93.6Very high91.1Very high92 Ų9258.5 Ų58.543%0.4331%0.314SS..Hα-helixtrans-62.3-38177.4-62.7173165.400111.6L429 S436L429-E432 HydrophobicContact CB-CG 4.1Å; L429-E432 PolarHBondContact N-OE2 3.05Å; L429-E432 WeakPolarHBondContact O-CB 3.42Å; L429-E432 PolarHBondContact O-N 3.31Å; E432-S436 VanDerWaalsContact O-CB 3.23Å; E432-S436 WeakPolarHBondContact O-CB 3.05Å; E432-S436 PolarHBondContact O-N 3.05Å; E432-S436 PolarHBondContact O-OG 3.27Å
433V94Very high90.8Very high3 Ų360.2 Ų60.22%0.01832%0.324CS..Hα-helixtrans-65.3-42.9177.1177.70000111P384 W424 P425 Q428 L429 P430 E431 S436 S437P384-V433 HydrophobicContact CB-CG1 3.72Å; P384-V433 HydrophobicContact CG-CG1 3.63Å; W424-V433 HydrophobicContact CD2-CG1 4.17Å; W424-V433 HydrophobicContact CE3-CG1 4.1Å; W424-V433 HydrophobicContact CH2-CB 4.3Å; W424-V433 HydrophobicContact CH2-CG1 3.97Å; W424-V433 HydrophobicContact CZ2-CB 4.02Å; W424-V433 HydrophobicContact CZ2-CG1 4.01Å; W424-V433 HydrophobicContact CZ2-CG2 4.3Å; W424-V433 HydrophobicContact CZ3-CG1 4.01Å; P425-V433 HydrophobicContact CG-CG2 4.26Å; Q428-V433 HydrophobicContact CB-CG2 3.81Å; L429-V433 PolarHBondContact O-N 3.04Å; P430-V433 PolarHBondContact O-N 3.48Å; E431-V433 VanDerWaalsContact C-N 3.3Å; E431-V433 PolarHBondContact O-N 3.45Å; V433-S436 WeakPolarHBondContact CA-OG 3.25Å; V433-S436 PolarHBondContact O-OG 3.5Å; V433-S437 WeakPolarHBondContact O-CB 3.18Å; V433-S437 PolarHBondContact O-N 3.45Å; V433-S437 VanDerWaalsContact O-N 3.13Å; V433-S437 PolarHBondContact O-OG 3.39Å
434V94.6Very high90.8Very high0 Ų058.7 Ų58.70%032%0.316CS..Hα-helixtrans-68.7-45.6177.3172.80000110.9V388 L401 L404 V405 T408 P430 E431 S437 I438V388-V434 HydrophobicContact CG2-CG1 4.08Å; V388-V434 HydrophobicContact CG2-CG2 4.15Å; L401-V434 HydrophobicContact CD1-CG1 4.17Å; L404-V434 HydrophobicContact CD2-CG1 4.16Å; L404-V434 HydrophobicContact CG-CG1 4.43Å; V405-V434 HydrophobicContact CG2-CB 4.05Å; V405-V434 HydrophobicContact CG2-CG1 4.25Å; V405-V434 HydrophobicContact CG2-CG2 4.05Å; T408-V434 HydrophobicContact CG2-CG2 4.07Å; P430-V434 WeakPolarHBondContact O-CG2 3.45Å; P430-V434 PolarHBondContact O-N 3.24Å; P430-V434 VanDerWaalsContact O-N 3.09Å; E431-V434 PolarHBondContact O-N 2.76Å; V434-S437 WeakPolarHBondContact O-CB 3.32Å; V434-S437 PolarHBondContact O-N 3.17Å; V434-I438 HydrophobicContact CG1-CD1 3.83Å; V434-I438 WeakPolarHBondContact O-CD1 3.5Å; V434-I438 VanDerWaalsContact O-CG1 3.32Å; V434-I438 WeakPolarHBondContact O-CG1 3.43Å; V434-I438 PolarHBondContact O-N 3.05Å
435Q93.8Very high90.9Very high62 Ų6257.5 Ų57.529%0.2931%0.311SS..Hα-helixtrans-62.2-46.4178.2-73.1179.1-2.500112L401 E431 S437 I438 L439L401-Q435 HydrophobicContact CD1-CG 4.41Å; L401-Q435 HydrophobicContact CD2-CG 4.07Å; E431-Q435 HydrophobicContact CG-CG 4.44Å; E431-Q435 WeakPolarHBondContact O-CB 3.41Å; E431-Q435 VanDerWaalsContact O-CG 3.31Å; E431-Q435 WeakPolarHBondContact O-CG 3.25Å; E431-Q435 PolarHBondContact O-N 2.88Å; E431-Q435 PolarHBondContact OE1-NE2 3.41Å; Q435-S437 VanDerWaalsContact C-N 3.31Å; Q435-S437 PolarHBondContact O-N 3.3Å; Q435-I438 PolarHBondContact O-N 3.35Å; Q435-I438 VanDerWaalsContact O-N 3.14Å; Q435-L439 WeakPolarHBondContact O-CG 3.18Å; Q435-L439 PolarHBondContact O-N 2.84Å
436S92.9Very high91.1Very high56 Ų5656.6 Ų56.639%0.39231%0.306SS..Hα-helixtrans-62.1-37.8177.157.50000112.4E432 V433 L439 L440E432-S436 VanDerWaalsContact O-CB 3.23Å; E432-S436 WeakPolarHBondContact O-CB 3.05Å; E432-S436 PolarHBondContact O-N 3.05Å; E432-S436 PolarHBondContact O-OG 3.27Å; V433-S436 WeakPolarHBondContact CA-OG 3.25Å; V433-S436 PolarHBondContact O-OG 3.5Å; S436-L439 PolarHBondContact O-N 2.73Å; S436-L440 PolarHBondContact O-N 3.06Å
437S93.5Very high91.7Very high14 Ų1452.8 Ų52.810%0.09829%0.285CS..Hα-helixtrans-61.3-46172.1-60.70000111.3V433 V434 Q435 L439 L440 H441V433-S437 WeakPolarHBondContact O-CB 3.18Å; V433-S437 PolarHBondContact O-N 3.45Å; V433-S437 VanDerWaalsContact O-N 3.13Å; V433-S437 PolarHBondContact O-OG 3.39Å; V434-S437 WeakPolarHBondContact O-CB 3.32Å; V434-S437 PolarHBondContact O-N 3.17Å; Q435-S437 VanDerWaalsContact C-N 3.31Å; Q435-S437 PolarHBondContact O-N 3.3Å; S437-L439 VanDerWaalsContact C-N 3.33Å; S437-L439 PolarHBondContact O-N 2.82Å; S437-L440 PolarHBondContact O-N 2.85Å; S437-H441 PolarHBondContact O-CD2 3.36Å; S437-H441 PolarHBondContact O-N 3.17Å; S437-H441 VanDerWaalsContact O-N 3.12Å
438I93.5Very high92Very high9 Ų948.5 Ų48.55%0.04627%0.265CS..Hα-helixtrans-63.1-39.7177.4-67.1160.5000111.3W385 L401 L404 V434 Q435 H441 S442 A445 V452W385-I438 HydrophobicContact CZ3-CG1 4.15Å; L401-I438 HydrophobicContact CD1-CD1 4.5Å; L404-I438 HydrophobicContact CD2-CD1 4.41Å; V434-I438 HydrophobicContact CG1-CD1 3.83Å; V434-I438 WeakPolarHBondContact O-CD1 3.5Å; V434-I438 VanDerWaalsContact O-CG1 3.32Å; V434-I438 WeakPolarHBondContact O-CG1 3.43Å; V434-I438 PolarHBondContact O-N 3.05Å; Q435-I438 PolarHBondContact O-N 3.35Å; Q435-I438 VanDerWaalsContact O-N 3.14Å; I438-H441 CarbonylContact O-C 3.58Å; I438-H441 PolarHBondContact O-N 3.29Å; I438-S442 PolarHBondContact O-N 3.43Å; I438-A445 HydrophobicContact CG2-CB 4.09Å; I438-V452 HydrophobicContact CD1-CB 4.35Å; I438-V452 HydrophobicContact CD1-CG1 3.8Å; I438-V452 HydrophobicContact CD1-CG2 3.57Å; I438-V452 HydrophobicContact CG1-CG1 4.31Å
439L93.3Very high91.8Very high128 Ų12851.4 Ų51.467%0.6728%0.283SS*.Hα-helixtrans-63.4-44.2178.1-72.4171.7000112.1Q435 S436 S437 H441 S442Q435-L439 WeakPolarHBondContact O-CG 3.18Å; Q435-L439 PolarHBondContact O-N 2.84Å; S436-L439 PolarHBondContact O-N 2.73Å; S437-L439 VanDerWaalsContact C-N 3.33Å; S437-L439 PolarHBondContact O-N 2.82Å; L439-H441 VanDerWaalsContact C-N 3.26Å; L439-H441 PolarHBondContact O-N 3.49Å; L439-S442 VanDerWaalsContact O-CB 3.27Å; L439-S442 WeakPolarHBondContact O-CB 3.48Å; L439-S442 PolarHBondContact O-N 3.29Å; L439-S442 PolarHBondContact O-OG 3.21Å
440L92.9Very high91.6Very high32 Ų3251.3 Ų51.317%0.16828%0.283CS..Hα-helixtrans-60.8-38.6175.7-178.765000111.6D284 N319 S436 S437D284-L440 HydrophobicContact CB-CD2 3.62Å; N319-L440 HydrophobicContact CB-CD1 4.36Å; N319-L440 WeakPolarHBondContact O-CD1 3.31Å; S436-L440 PolarHBondContact O-N 3.06Å; S437-L440 PolarHBondContact O-N 2.85Å
441H93.3Very high91.4Very high2 Ų256.1 Ų56.11%0.00930%0.296CS..THydrogen-bonded Turntrans-99.235.1178.9-62.8-80.8000112.9D284 W385 S437 I438 L439 N443 L444 A445 Y480D284-H441 PolarHBondContact O-CE1 3.49Å; D284-H441 PolarHBondContact O-NE2 3.48Å; W385-H441 AromaticContact CD1-CD2 3.48Å; W385-H441 VanDerWaalsContact CD1-CD2 3.48Å; W385-H441 AromaticContact CD1-CE1 3.49Å; W385-H441 VanDerWaalsContact CD1-CE1 3.49Å; W385-H441 AromaticContact CD1-CG 3.83Å; W385-H441 AromaticContact CD1-ND1 3.83Å; W385-H441 AromaticContact CD1-NE2 3.28Å; W385-H441 VanDerWaalsContact CD1-NE2 3.28Å; W385-H441 HydrophobicContact CD2-CB 3.95Å; W385-H441 AromaticContact CD2-CD2 3.33Å; W385-H441 AromaticContact CD2-CG 3.62Å; W385-H441 AromaticContact CD2-NE2 3.98Å; W385-H441 AromaticContact CE2-CD2 3.58Å; W385-H441 AromaticContact CE2-CG 3.34Å; W385-H441 AromaticContact CE2-ND1 3.8Å; W385-H441 HydrophobicContact CE3-CB 4.14Å; W385-H441 AromaticContact CE3-CD2 3.93Å; W385-H441 AromaticContact CG-CD2 3.3Å; W385-H441 AromaticContact CG-CG 3.93Å; W385-H441 AromaticContact CG-NE2 3.44Å; W385-H441 HydrophobicContact CH2-CB 3.65Å; W385-H441 HydrophobicContact CZ2-CB 3.41Å; W385-H441 VanDerWaalsContact CZ2-CB 3.41Å; W385-H441 AromaticContact CZ2-CG 3.77Å; W385-H441 HydrophobicContact CZ3-CB 4Å; W385-H441 AromaticContact NE1-CD2 3.64Å; W385-H441 AromaticContact NE1-CE1 3.59Å; W385-H441 AromaticContact NE1-CG 3.48Å; W385-H441 AromaticContact NE1-ND1 3.45Å; W385-H441 PolarHBondContact NE1-ND1 3.49Å; W385-H441 AromaticContact NE1-NE2 3.73Å; S437-H441 PolarHBondContact O-CD2 3.36Å; S437-H441 PolarHBondContact O-N 3.17Å; S437-H441 VanDerWaalsContact O-N 3.12Å; I438-H441 CarbonylContact O-C 3.58Å; I438-H441 PolarHBondContact O-N 3.29Å; L439-H441 VanDerWaalsContact C-N 3.26Å; L439-H441 PolarHBondContact O-N 3.49Å; H441-N443 PolarHBondContact O-N 3.32Å; H441-L444 PolarHBondContact O-N 3.12Å; H441-A445 PolarHBondContact O-N 2.88Å; H441-A445 VanDerWaalsContact O-N 3.08Å; H441-Y480 AromaticContact CE1-CE1 3.8Å; H441-Y480 AromaticContact CE1-CZ 3.57Å; H441-Y480 PolarHBondContact CE1-OH 3.35Å; H441-Y480 AromaticContact ND1-CZ 3.83Å
442S90.3Very high91.2Very high63 Ų6352.2 Ų52.244%0.44128%0.278SS..THydrogen-bonded Turntrans-62.8-12.8-178.455.60000114.3I438 L439 L444 A445 K455I438-S442 PolarHBondContact O-N 3.43Å; L439-S442 VanDerWaalsContact O-CB 3.27Å; L439-S442 WeakPolarHBondContact O-CB 3.48Å; L439-S442 PolarHBondContact O-N 3.29Å; L439-S442 PolarHBondContact O-OG 3.21Å; S442-L444 VanDerWaalsContact C-N 3.33Å; S442-A445 CarbonylContact C-O 3.55Å; S442-A445 WeakPolarHBondContact CA-O 3.49Å; S442-K455 VanDerWaalsContact O-CE 3.27Å; S442-K455 WeakPolarHBondContact O-CE 3.36Å; S442-K455 PolarHBondContact O-NZ 3.03Å
443N87.1Confident90.9Very high52 Ų5250.4 Ų50.428%0.27827%0.273SS..THydrogen-bonded Turntrans-73.3-22.9168.759.2-54.5000113.3E289 H441E289-N443 PolarHBondContact OE1-ND2 3.32Å; H441-N443 PolarHBondContact O-N 3.32Å
444L89.5Confident90.5Very high1 Ų150.6 Ų50.61%0.00527%0.274CS..THydrogen-bonded Turntrans-107.5-34.6-176.4-62.2177.1000113.2W385 H441 S442 L454 K455 N473 M476 Y480W385-L444 HydrophobicContact CH2-CB 4.38Å; W385-L444 HydrophobicContact CZ2-CB 4.04Å; W385-L444 HydrophobicContact CZ2-CD1 3.89Å; H441-L444 PolarHBondContact O-N 3.12Å; S442-L444 VanDerWaalsContact C-N 3.33Å; L444-L454 CarbonylContact O-C 3.56Å; L444-L454 WeakPolarHBondContact O-CA 3.15Å; L444-K455 PolarHBondContact O-N 2.53Å; L444-N473 HydrophobicContact CD2-CB 4.46Å; L444-M476 HydrophobicContact CD1-CB 4.47Å; L444-M476 HydrophobicContact CD2-CB 3.9Å; L444-M476 HydrophobicContact CD2-CE 3.49Å; L444-M476 VanDerWaalsContact CD2-CE 3.49Å; L444-M476 HydrophobicContact CD2-SD 4.18Å; L444-Y480 HydrophobicContact CD1-CD2 4.07Å; L444-Y480 HydrophobicContact CD1-CE2 3.66Å
445A91.3Very high90Very high0 Ų054 Ų540%029%0.289CS..EExtended strand (participates in β ladder)trans-134.1157.5-178.700000111.8W385 I438 H441 S442 V452 V453 L454W385-A445 HydrophobicContact CH2-CB 3.83Å; W385-A445 HydrophobicContact CZ3-CB 4.3Å; I438-A445 HydrophobicContact CG2-CB 4.09Å; H441-A445 PolarHBondContact O-N 2.88Å; H441-A445 VanDerWaalsContact O-N 3.08Å; S442-A445 CarbonylContact C-O 3.55Å; S442-A445 WeakPolarHBondContact CA-O 3.49Å; A445-V452 HydrophobicContact CB-CG1 4.37Å; A445-V453 WeakPolarHBondContact CA-O 3.34Å; A445-L454 HydrophobicContact CB-CD2 4.1Å
446S91.3Very high88.7Confident33 Ų3352.2 Ų52.223%0.23128%0.282CS..EExtended strand (participates in β ladder)trans-145.5149.3169.344.10000110.9V453 K455S446-V453 PolarHBondContact N-O 3.35Å; S446-V453 PolarHBondContact O-N 3.07Å; S446-K455 WeakPolarHBondContact OG-CE 3.5Å
447L90.5Very high86.9Confident74 Ų7457.1 Ų57.139%0.38730%0.299SS..EExtended strand (participates in β ladder)trans-89.1121.4170.3-172.269.3000109.1L401 R451 V452L401-L447 HydrophobicContact CB-CD1 4.2Å; L401-L447 HydrophobicContact CD1-CD1 4.47Å; L401-L447 HydrophobicContact CD2-CD1 4.3Å; L401-L447 HydrophobicContact CD2-CD2 4.43Å; L447-R451 WeakPolarHBondContact CA-O 3.49Å; L447-V452 HydrophobicContact CD1-CG2 3.71Å
448V88Confident84.3Confident75 Ų7560.9 Ų60.946%0.45533%0.325SS..EExtended strand (participates in β ladder)trans-133.9117.2178.8-177.50000108.1D450 R451V448-D450 PolarHBondContact O-N 3.3Å; V448-R451 PolarHBondContact N-O 3.27Å; V448-R451 WeakPolarHBondContact O-CB 3.45Å; V448-R451 PolarHBondContact O-N 3.29Å
449N85.4Confident81.8Confident149 Ų14964.2 Ų64.280%0.79736%0.361SS*.THydrogen-bonded Turntrans49.554.1-178.4-56-27.1000112.5R451N449-R451 PolarHBondContact O-N 3.44Å
450D87.2Confident78.7Confident111 Ų11164.3 Ų64.359%0.59437%0.371SS*.THydrogen-bonded Turntrans57.811.9-177.3-55.1-36.4000115.6L401 V448L401-D450 WeakPolarHBondContact CB-O 3.1Å; L401-D450 PolarHBondContact N-O 2.9Å; V448-D450 PolarHBondContact O-N 3.3Å
451R89.4Confident75.9Confident141 Ų14167.6 Ų67.653%0.53240%0.397SS..EExtended strand (participates in β ladder)trans-110.2127.9173.2-67.2-176.6168.7-131.8-3.8110.6M399 L447 V448 N449M399-R451 CarbonylContact O-C 3.51Å; M399-R451 WeakPolarHBondContact O-CA 3.31Å; L447-R451 WeakPolarHBondContact CA-O 3.49Å; V448-R451 PolarHBondContact N-O 3.27Å; V448-R451 WeakPolarHBondContact O-CB 3.45Å; V448-R451 PolarHBondContact O-N 3.29Å; N449-R451 PolarHBondContact O-N 3.44Å
452V89.2Confident73.4Confident0 Ų076.1 Ų76.10%044%0.437CS..EExtended strand (participates in β ladder)trans-80.9121.6171.1-177.10000108L392 S398 M399 L401 L404 I438 A445 L447L392-V452 HydrophobicContact CD1-CG1 4.09Å; L392-V452 HydrophobicContact CD2-CG1 4.43Å; S398-V452 CarbonylContact C-O 3.51Å; S398-V452 WeakPolarHBondContact CA-O 3.27Å; M399-V452 PolarHBondContact N-O 2.88Å; M399-V452 PolarHBondContact O-N 3.44Å; L401-V452 HydrophobicContact CD1-CG2 3.85Å; L404-V452 HydrophobicContact CD2-CB 3.84Å; L404-V452 HydrophobicContact CD2-CG1 4.02Å; L404-V452 HydrophobicContact CD2-CG2 3.67Å; I438-V452 HydrophobicContact CD1-CB 4.35Å; I438-V452 HydrophobicContact CD1-CG1 3.8Å; I438-V452 HydrophobicContact CD1-CG2 3.57Å; I438-V452 HydrophobicContact CG1-CG1 4.31Å; A445-V452 HydrophobicContact CB-CG1 4.37Å; L447-V452 HydrophobicContact CD1-CG2 3.71Å
453V88.3Confident70.9Confident54 Ų5482 Ų8233%0.32746%0.46SS..EExtended strand (participates in β ladder)trans-121.4125.5-179.7-176.10000108.5A445 S446 K455A445-V453 WeakPolarHBondContact CA-O 3.34Å; S446-V453 PolarHBondContact N-O 3.35Å; S446-V453 PolarHBondContact O-N 3.07Å; V453-K455 PolarHBondContact O-N 3.15Å
454L86.1Confident68.7Low7 Ų784.2 Ų84.24%0.03748%0.475CS..EExtended strand (participates in β ladder)trans-66.8132.6167.6-72.8175.2000108.8L392 L393 L397 L444 A445 V456L392-L454 HydrophobicContact CB-CD1 3.9Å; L392-L454 HydrophobicContact CB-CG 4.29Å; L392-L454 HydrophobicContact CD1-CD2 4Å; L392-L454 HydrophobicContact CD1-CG 4.1Å; L393-L454 HydrophobicContact CD2-CD1 4.29Å; L397-L454 HydrophobicContact CB-CB 4.35Å; L397-L454 HydrophobicContact CB-CD1 4.18Å; L397-L454 HydrophobicContact CD2-CD1 3.72Å; L397-L454 WeakPolarHBondContact O-CB 3.5Å; L397-L454 PolarHBondContact O-N 3Å; L444-L454 CarbonylContact O-C 3.56Å; L444-L454 WeakPolarHBondContact O-CA 3.15Å; A445-L454 HydrophobicContact CB-CD2 4.1Å; L454-V456 HydrophobicContact CB-CG2 3.97Å; L454-V456 WeakPolarHBondContact O-CG2 3.39Å; L454-V456 PolarHBondContact O-N 3Å
455K82.8Confident66.5Low71 Ų7193.6 Ų93.631%0.30952%0.516SS..  trans-72.984178-67.4-174.2177.4-179.40108.8S442 L444 S446 V453 N473S442-K455 VanDerWaalsContact O-CE 3.27Å; S442-K455 WeakPolarHBondContact O-CE 3.36Å; S442-K455 PolarHBondContact O-NZ 3.03Å; L444-K455 PolarHBondContact O-N 2.53Å; S446-K455 WeakPolarHBondContact OG-CE 3.5Å; V453-K455 PolarHBondContact O-N 3.15Å; K455-N473 PolarHBondContact O-ND2 3.24Å
456V67.8Low64.4Low24 Ų2497.5 Ų97.515%0.14556%0.555CS.*  trans-93.3-24179.7-176.40000110.3L397 L454 R470L397-V456 HydrophobicContact CB-CG2 4.47Å; L397-V456 HydrophobicContact CD1-CG2 3.95Å; L454-V456 HydrophobicContact CB-CG2 3.97Å; L454-V456 WeakPolarHBondContact O-CG2 3.39Å; L454-V456 PolarHBondContact O-N 3Å; V456-R470 HydrophobicContact CG1-CB 4.24Å; V456-R470 VanDerWaalsContact CG1-CD 3.41Å; V456-R470 HydrophobicContact CG1-CG 3.53Å; V456-R470 VanDerWaalsContact CG1-NE 3.31Å
457E54.1Low62.6Low159 Ų15998.9 Ų98.974%0.74356%0.56SS**  trans-146.4128.3175.4-65.8-178.9178.300110.9
458S40.2Very low61.3Low94 Ų9496.9 Ų96.966%0.65755%0.55SS**  trans-165.9132.1153.870.40000111.1
459G40.6Very low60.4Low78 Ų7897.9 Ų97.980%0.80455%0.553SS**  trans-69.4133.3-167.400000116.5
460C27.9Very low60.1Low130 Ų13096.3 Ų96.388%0.87854%0.535SS*.  trans-169.3123.8133.8-109.40000111.2
461S34.3Very low59.9Low101 Ų10191.8 Ų91.871%0.70651%0.511SS*.  trans55.6113.1151.1-142.80000121.6
462E40.3Very low59.8Low181 Ų18185.2 Ų85.285%0.84649%0.486SS*.  trans48.4125.7140.6-67.7-175.7146.400121
463M38.3Very low59.8Low187 Ų18786.4 Ų86.492%0.92149%0.493SS*.  trans75.674.3169.4-61.8-168.9-177.900117
464V39.7Very low59.9Low98 Ų9884.2 Ų84.259%0.59448%0.479SS*.SBend-160.2130.7105.6-175.90000107.4G466 V468V464-G466 PolarHBondContact O-N 2.85Å; V464-V468 HydrophobicContact CB-CG2 4.27Å; V464-V468 HydrophobicContact CG1-CB 4.49Å; V464-V468 HydrophobicContact CG1-CG2 3.68Å
465K44.3Very low60.2Low199 Ų19984 Ų8487%0.86548%0.478SS*.  trans-40.3116.6-177.4-69.1176.5174.6-1800114.4I467K465-I467 PolarHBondContact O-N 2.85Å
466G47.3Very low60.6Low81 Ų8181 Ų8184%0.83547%0.465SS*.SBendtrans75.4-46.8141.100000120.5V464V464-G466 PolarHBondContact O-N 2.85Å
467I53.4Low61.9Low63 Ų6380 Ų8032%0.32346%0.459SS..SBendtrans-138.22.3-158.9-75.9158.4000113.3K465 H471 D612K465-I467 PolarHBondContact O-N 2.85Å; I467-H471 WeakPolarHBondContact CG2-CE1 3.39Å; I467-H471 VanDerWaalsContact CG2-ND1 3.25Å; I467-H471 WeakPolarHBondContact CG2-ND1 2.9Å; I467-H471 PolarHBondContact O-ND1 3.14Å; I467-D612 VanDerWaalsContact CD1-OD1 3.23Å; I467-D612 WeakPolarHBondContact CD1-OD1 3.36Å; I467-D612 VanDerWaalsContact CD1-OD2 3.24Å; I467-D612 WeakPolarHBondContact CD1-OD2 3.28Å
468V63.2Low63.7Low31 Ų3172.6 Ų72.619%0.18843%0.425CS..Hα-helixtrans-85.4-39.2-165-166.60000113.5Y294 L297 I299 V464 H471 I472Y294-V468 HydrophobicContact CE1-CG1 4.4Å; L297-V468 HydrophobicContact CD1-CG1 4.02Å; I299-V468 HydrophobicContact CD1-CG1 4.25Å; V464-V468 HydrophobicContact CB-CG2 4.27Å; V464-V468 HydrophobicContact CG1-CB 4.49Å; V464-V468 HydrophobicContact CG1-CG2 3.68Å; V468-H471 PolarHBondContact O-N 2.97Å; V468-I472 HydrophobicContact CB-CD1 4.49Å; V468-I472 HydrophobicContact CG1-CD1 3.57Å; V468-I472 HydrophobicContact CG1-CG1 4.18Å; V468-I472 WeakPolarHBondContact O-CD1 3.34Å; V468-I472 WeakPolarHBondContact O-CG1 3.26Å; V468-I472 PolarHBondContact O-N 3.43Å
469L68.3Low66.3Low96 Ų9668.8 Ų68.850%0.50340%0.399SS..Hα-helixtrans-69.3-42.9-170-16670.2000113.6H471 I472 N473L469-H471 PolarHBondContact O-N 2.87Å; L469-I472 WeakPolarHBondContact O-CB 3.23Å; L469-I472 PolarHBondContact O-N 3.06Å; L469-N473 PolarHBondContact O-N 3.35Å; L469-N473 VanDerWaalsContact O-N 3.17Å
470R79Confident68.8Low116 Ų11665.3 Ų65.344%0.43836%0.362SS..Hα-helixtrans-56.6-48.7175.7165.1160.5-170.3-1780111.6V456 I472 N473 L474V456-R470 HydrophobicContact CG1-CB 4.24Å; V456-R470 VanDerWaalsContact CG1-CD 3.41Å; V456-R470 HydrophobicContact CG1-CG 3.53Å; V456-R470 VanDerWaalsContact CG1-NE 3.31Å; R470-I472 VanDerWaalsContact C-N 3.34Å; R470-I472 PolarHBondContact O-N 3.23Å; R470-N473 PolarHBondContact O-N 2.83Å; R470-L474 HydrophobicContact CG-CD1 3.91Å; R470-L474 WeakPolarHBondContact O-CG 3.36Å; R470-L474 PolarHBondContact O-N 3.05Å; R470-L474 VanDerWaalsContact O-N 3.09Å
471H83.8Confident72Confident16 Ų1659.6 Ų59.67%0.07432%0.322CS..Hα-helixtrans-67.7-33.8-179.5-65.5136.1000112.9L297 I467 V468 L469 L474 L475 L622L297-H471 HydrophobicContact CD1-CB 4.41Å; L297-H471 HydrophobicContact CD2-CB 4.39Å; I467-H471 WeakPolarHBondContact CG2-CE1 3.39Å; I467-H471 VanDerWaalsContact CG2-ND1 3.25Å; I467-H471 WeakPolarHBondContact CG2-ND1 2.9Å; I467-H471 PolarHBondContact O-ND1 3.14Å; V468-H471 PolarHBondContact O-N 2.97Å; L469-H471 PolarHBondContact O-N 2.87Å; H471-L474 PolarHBondContact O-N 3.11Å; H471-L475 VanDerWaalsContact O-CB 3.31Å; H471-L475 WeakPolarHBondContact O-CB 3.34Å; H471-L475 VanDerWaalsContact O-CG 3.23Å; H471-L475 WeakPolarHBondContact O-CG 3.32Å; H471-L475 PolarHBondContact O-N 3.49Å; H471-L622 HydrophobicContact CB-CD1 3.91Å; H471-L622 VanDerWaalsContact CG-CD1 3.41Å
472I86.8Confident74.8Confident3 Ų355 Ų552%0.01529%0.289CS..Hα-helixtrans-58.9-51.6173.3-74161.8000110.7A293 Y294 L297 V468 L469 R470 L474 L475 M476A293-I472 HydrophobicContact CB-CB 4.45Å; A293-I472 HydrophobicContact CB-CG2 3.93Å; Y294-I472 HydrophobicContact CD1-CD1 3.76Å; Y294-I472 HydrophobicContact CD1-CG1 4.4Å; Y294-I472 HydrophobicContact CE1-CD1 3.23Å; Y294-I472 HydrophobicContact CE1-CG1 4.31Å; Y294-I472 HydrophobicContact CE2-CD1 4.09Å; Y294-I472 HydrophobicContact CG-CD1 4.4Å; L297-I472 HydrophobicContact CD1-CG1 3.66Å; V468-I472 HydrophobicContact CB-CD1 4.49Å; V468-I472 HydrophobicContact CG1-CD1 3.57Å; V468-I472 HydrophobicContact CG1-CG1 4.18Å; V468-I472 WeakPolarHBondContact O-CD1 3.34Å; V468-I472 WeakPolarHBondContact O-CG1 3.26Å; V468-I472 PolarHBondContact O-N 3.43Å; L469-I472 WeakPolarHBondContact O-CB 3.23Å; L469-I472 PolarHBondContact O-N 3.06Å; R470-I472 VanDerWaalsContact C-N 3.34Å; R470-I472 PolarHBondContact O-N 3.23Å; I472-L474 PolarHBondContact O-N 2.96Å; I472-L475 PolarHBondContact O-N 3.18Å; I472-M476 HydrophobicContact CG2-CE 3.81Å; I472-M476 WeakPolarHBondContact O-CG 3.48Å; I472-M476 PolarHBondContact O-N 2.86Å
473N88.9Confident77.3Confident26 Ų2647.3 Ų47.314%0.13925%0.253CS..Hα-helixtrans-65.1-39.5-178.3-70.7-5.1000112.3L444 K455 L469 R470 M476 C477L444-N473 HydrophobicContact CD2-CB 4.46Å; K455-N473 PolarHBondContact O-ND2 3.24Å; L469-N473 PolarHBondContact O-N 3.35Å; L469-N473 VanDerWaalsContact O-N 3.17Å; R470-N473 PolarHBondContact O-N 2.83Å; N473-M476 HydrophobicContact CB-CE 4.41Å; N473-M476 PolarHBondContact O-N 2.86Å; N473-M476 WeakPolarHBondContact OD1-CE 3.24Å; N473-C477 PolarHBondContact O-N 3.25Å; N473-C477 PolarHBondContact O-SG 3.25Å
474L90.3Very high79.9Confident7 Ų738.4 Ų38.44%0.03721%0.21CC..Hα-helixtrans-66-40.1176-70.1172.2000112.4L393 L397 R470 H471 I472 C477 S478 F619L393-L474 HydrophobicContact CD2-CD2 4.22Å; L397-L474 HydrophobicContact CD1-CD2 4.13Å; L397-L474 HydrophobicContact CD2-CD2 3.87Å; R470-L474 HydrophobicContact CG-CD1 3.91Å; R470-L474 WeakPolarHBondContact O-CG 3.36Å; R470-L474 PolarHBondContact O-N 3.05Å; R470-L474 VanDerWaalsContact O-N 3.09Å; H471-L474 PolarHBondContact O-N 3.11Å; I472-L474 PolarHBondContact O-N 2.96Å; L474-C477 WeakPolarHBondContact O-CB 3.43Å; L474-C477 PolarHBondContact O-N 3.43Å; L474-S478 WeakPolarHBondContact O-CB 3.5Å; L474-S478 PolarHBondContact O-N 3.42Å; L474-F619 HydrophobicContact CB-CD1 4.15Å; L474-F619 HydrophobicContact CB-CD2 3.59Å; L474-F619 HydrophobicContact CB-CE1 4.22Å; L474-F619 HydrophobicContact CB-CE2 3.67Å; L474-F619 HydrophobicContact CB-CG 3.85Å; L474-F619 HydrophobicContact CB-CZ 3.99Å; L474-F619 HydrophobicContact CD1-CB 4.34Å; L474-F619 HydrophobicContact CD1-CD1 3.89Å; L474-F619 HydrophobicContact CD1-CE1 4.38Å; L474-F619 HydrophobicContact CD1-CG 4.02Å; L474-F619 HydrophobicContact CD2-CD1 4.47Å; L474-F619 HydrophobicContact CD2-CE1 4.14Å; L474-F619 HydrophobicContact CD2-CZ 4.34Å; L474-F619 HydrophobicContact CG-CD1 4.41Å; L474-F619 HydrophobicContact CG-CE1 4.49Å; L474-F619 HydrophobicContact CG-CG 4.49Å; L474-F619 VanDerWaalsContact O-CE2 3.26Å; L474-F619 WeakPolarHBondContact O-CE2 3.38Å
475L92.1Very high82.4Confident4 Ų433.8 Ų33.82%0.02118%0.181CC..Hα-helixtrans-68.3-35.3175.2-72.9174.3000112.4A293 L296 L297 H471 I472 S478 A479 F619A293-L475 HydrophobicContact CB-CB 4.36Å; L296-L475 HydrophobicContact CB-CD1 4.28Å; L297-L475 HydrophobicContact CD1-CD1 4.38Å; L297-L475 HydrophobicContact CD2-CD1 3.58Å; L297-L475 HydrophobicContact CG-CD1 3.73Å; H471-L475 VanDerWaalsContact O-CB 3.31Å; H471-L475 WeakPolarHBondContact O-CB 3.34Å; H471-L475 VanDerWaalsContact O-CG 3.23Å; H471-L475 WeakPolarHBondContact O-CG 3.32Å; H471-L475 PolarHBondContact O-N 3.49Å; I472-L475 PolarHBondContact O-N 3.18Å; L475-S478 PolarHBondContact O-N 3.41Å; L475-A479 PolarHBondContact O-N 3.07Å; L475-F619 HydrophobicContact CD2-CD2 4.26Å
476M92.8Very high84.3Confident7 Ų724.7 Ų24.73%0.03414%0.142CC..Hα-helixtrans-61.7-45.9170.4-71.8-167.8-73.700111.1E289 A293 L444 I472 N473 S478 A479 Y480E289-M476 HydrophobicContact CB-CG 4.44Å; E289-M476 HydrophobicContact CB-SD 4.08Å; E289-M476 HydrophobicContact CG-SD 3.94Å; A293-M476 HydrophobicContact CB-CG 3.75Å; L444-M476 HydrophobicContact CD1-CB 4.47Å; L444-M476 HydrophobicContact CD2-CB 3.9Å; L444-M476 HydrophobicContact CD2-CE 3.49Å; L444-M476 VanDerWaalsContact CD2-CE 3.49Å; L444-M476 HydrophobicContact CD2-SD 4.18Å; I472-M476 HydrophobicContact CG2-CE 3.81Å; I472-M476 WeakPolarHBondContact O-CG 3.48Å; I472-M476 PolarHBondContact O-N 2.86Å; N473-M476 HydrophobicContact CB-CE 4.41Å; N473-M476 PolarHBondContact O-N 2.86Å; N473-M476 WeakPolarHBondContact OD1-CE 3.24Å; M476-S478 VanDerWaalsContact C-N 3.34Å; M476-S478 PolarHBondContact O-N 3.16Å; M476-A479 WeakPolarHBondContact O-CB 3.4Å; M476-A479 PolarHBondContact O-N 2.88Å; M476-A479 VanDerWaalsContact O-N 3.16Å; M476-Y480 VanDerWaalsContact O-CD2 3.23Å; M476-Y480 WeakPolarHBondContact O-CD2 3.01Å; M476-Y480 PolarHBondContact O-N 3.49Å
477C93.6Very high86.4Confident2 Ų222 Ų221%0.01411%0.108CC..Hα-helixtrans-60.7-42.5174.5-66.50000111.8V389 L393 N473 L474 A479 Y480 R481V389-C477 HydrophobicContact CG1-CB 3.67Å; V389-C477 WeakPolarHBondContact CG1-O 3.38Å; L393-C477 HydrophobicContact CD1-CB 4.08Å; L393-C477 HydrophobicContact CD2-CB 4Å; L393-C477 HydrophobicContact CG-CB 4.3Å; N473-C477 PolarHBondContact O-N 3.25Å; N473-C477 PolarHBondContact O-SG 3.25Å; L474-C477 WeakPolarHBondContact O-CB 3.43Å; L474-C477 PolarHBondContact O-N 3.43Å; C477-A479 VanDerWaalsContact C-N 3.3Å; C477-A479 PolarHBondContact O-N 2.81Å; C477-Y480 PolarHBondContact O-N 3.27Å; C477-R481 PolarHBondContact O-N 3.4Å
478S93.6Very high88.4Confident4 Ų419 Ų193%0.0289%0.093CC..Hα-helixtrans-59.7-39.5174.5168.80000111.8L474 L475 M476 Y480 R481 N482 D620L474-S478 WeakPolarHBondContact O-CB 3.5Å; L474-S478 PolarHBondContact O-N 3.42Å; L475-S478 PolarHBondContact O-N 3.41Å; M476-S478 VanDerWaalsContact C-N 3.34Å; M476-S478 PolarHBondContact O-N 3.16Å; S478-Y480 VanDerWaalsContact C-N 3.33Å; S478-Y480 PolarHBondContact O-N 3.47Å; S478-R481 CarbonylContact O-C 3.52Å; S478-R481 PolarHBondContact O-N 2.99Å; S478-R481 PolarHBondContact OG-NH2 3.13Å; S478-N482 VanDerWaalsContact O-CB 3.31Å; S478-N482 WeakPolarHBondContact O-CB 3.28Å; S478-N482 PolarHBondContact O-N 3.04Å; S478-N482 PolarHBondContact O-ND2 2.83Å; S478-N482 PolarHBondContact O-OD1 3.5Å; S478-N482 PolarHBondContact OG-ND2 3.35Å; S478-D620 VanDerWaalsContact CB-OD1 3.28Å; S478-D620 WeakPolarHBondContact CB-OD1 3.3Å; S478-D620 PolarHBondContact OG-OD1 2.85Å
479A93.8Very high89.9Confident14 Ų1417.6 Ų17.612%0.1168%0.084CC..Hα-helixtrans-59.7-41.5175.300000112.1A249 L475 M476 C477 N482 Q483A249-A479 HydrophobicContact CB-CB 4.23Å; A249-A479 WeakPolarHBondContact CB-O 3.48Å; L475-A479 PolarHBondContact O-N 3.07Å; M476-A479 WeakPolarHBondContact O-CB 3.4Å; M476-A479 PolarHBondContact O-N 2.88Å; M476-A479 VanDerWaalsContact O-N 3.16Å; C477-A479 VanDerWaalsContact C-N 3.3Å; C477-A479 PolarHBondContact O-N 2.81Å; A479-N482 PolarHBondContact O-N 3.37Å; A479-Q483 PolarHBondContact O-N 2.95Å
480Y94.1Very high91.2Very high6 Ų614 Ų142%0.0246%0.064CC..Hα-helixtrans-63.8-48.5173-71.6-70.4000112.1D284 E289 W385 L386 H441 L444 M476 C477 S478 N482 Q483D284-Y480 WeakPolarHBondContact O-CE1 3.48Å; E289-Y480 WeakPolarHBondContact OE2-CE2 3.2Å; E289-Y480 PolarHBondContact OE2-OH 2.94Å; W385-Y480 AromaticContact CD1-CD1 3.49Å; W385-Y480 VanDerWaalsContact CD1-CD1 3.49Å; W385-Y480 AromaticContact CD1-CE1 3.77Å; W385-Y480 AromaticContact CD1-CG 3.64Å; W385-Y480 AromaticContact NE1-CD1 3.7Å; W385-Y480 AromaticContact NE1-CD2 3.37Å; W385-Y480 AromaticContact NE1-CE1 3.92Å; W385-Y480 AromaticContact NE1-CE2 3.64Å; W385-Y480 AromaticContact NE1-CG 3.41Å; W385-Y480 AromaticContact NE1-CZ 3.91Å; L386-Y480 HydrophobicContact CD2-CD1 3.65Å; L386-Y480 HydrophobicContact CD2-CG 4.26Å; L386-Y480 WeakPolarHBondContact CD2-O 3.12Å; H441-Y480 AromaticContact CE1-CE1 3.8Å; H441-Y480 AromaticContact CE1-CZ 3.57Å; H441-Y480 PolarHBondContact CE1-OH 3.35Å; H441-Y480 AromaticContact ND1-CZ 3.83Å; L444-Y480 HydrophobicContact CD1-CD2 4.07Å; L444-Y480 HydrophobicContact CD1-CE2 3.66Å; M476-Y480 VanDerWaalsContact O-CD2 3.23Å; M476-Y480 WeakPolarHBondContact O-CD2 3.01Å; M476-Y480 PolarHBondContact O-N 3.49Å; C477-Y480 PolarHBondContact O-N 3.27Å; S478-Y480 VanDerWaalsContact C-N 3.33Å; S478-Y480 PolarHBondContact O-N 3.47Å; Y480-N482 PolarHBondContact O-N 2.92Å; Y480-Q483 PolarHBondContact O-N 2.77Å
481R94.2Very high92.1Very high10 Ų108.4 Ų8.44%0.0384%0.043CC..Hα-helixtrans-55.3-38173.9-178.5-161.467.3-160.8-3.7111.9A390 L393 C477 S478 Q483 L484 L485 L571 D620A390-R481 HydrophobicContact CB-CG 4.22Å; L393-R481 HydrophobicContact CD1-CB 4.05Å; C477-R481 PolarHBondContact O-N 3.4Å; S478-R481 CarbonylContact O-C 3.52Å; S478-R481 PolarHBondContact O-N 2.99Å; S478-R481 PolarHBondContact OG-NH2 3.13Å; R481-Q483 VanDerWaalsContact C-N 3.27Å; R481-Q483 PolarHBondContact O-N 2.88Å; R481-L484 VanDerWaalsContact O-CB 3.27Å; R481-L484 WeakPolarHBondContact O-CB 3.3Å; R481-L484 PolarHBondContact O-N 2.87Å; R481-L484 VanDerWaalsContact O-N 3.1Å; R481-L485 PolarHBondContact O-N 3.17Å; R481-L571 HydrophobicContact CG-CD1 3.86Å; R481-D620 IonicContact CZ-OD1 3.86Å; R481-D620 IonicContact CZ-OD2 3.84Å; R481-D620 IonicContact NH1-OD2 2.66Å; R481-D620 PolarHBondContact NH1-OD2 2.68Å; R481-D620 IonicContact NH2-OD1 3.29Å; R481-D620 PolarHBondContact NH2-OD1 3.04Å; R481-D620 IonicContact NH2-OD2 3.54Å; R481-D620 PolarHBondContact NH2-OD2 3.35Å
482N93.9Very high92.7Very high5 Ų57.7 Ų7.73%0.0274%0.04CC..Hα-helixtrans-66.3-26.4-175.9-70.9-14.2000113.6S248 K250 S478 A479 Y480 L484 L485S248-N482 WeakPolarHBondContact O-CB 3.44Å; S248-N482 PolarHBondContact O-ND2 3.01Å; K250-N482 HydrophobicContact CG-CB 3.8Å; S478-N482 VanDerWaalsContact O-CB 3.31Å; S478-N482 WeakPolarHBondContact O-CB 3.28Å; S478-N482 PolarHBondContact O-N 3.04Å; S478-N482 PolarHBondContact O-ND2 2.83Å; S478-N482 PolarHBondContact O-OD1 3.5Å; S478-N482 PolarHBondContact OG-ND2 3.35Å; A479-N482 PolarHBondContact O-N 3.37Å; Y480-N482 PolarHBondContact O-N 2.92Å; N482-L484 VanDerWaalsContact C-N 3.3Å; N482-L485 HydrophobicContact CB-CD1 4.16Å; N482-L485 WeakPolarHBondContact O-CB 3.49Å; N482-L485 PolarHBondContact O-N 3.41Å; N482-L485 VanDerWaalsContact OD1-CD1 3.29Å; N482-L485 WeakPolarHBondContact OD1-CD1 3.46Å
483Q92.1Very high93.1Very high19 Ų197.6 Ų7.69%0.0894%0.039CC..Hα-helixtrans-64.7-38.3173.4-63.4-177.251.800111.3A249 L386 A479 Y480 R481 L485 N486A249-Q483 HydrophobicContact CB-CG 3.73Å; L386-Q483 HydrophobicContact CD1-CB 4.05Å; L386-Q483 HydrophobicContact CD2-CB 4.37Å; A479-Q483 PolarHBondContact O-N 2.95Å; Y480-Q483 PolarHBondContact O-N 2.77Å; R481-Q483 VanDerWaalsContact C-N 3.27Å; R481-Q483 PolarHBondContact O-N 2.88Å; Q483-L485 VanDerWaalsContact C-N 3.33Å; Q483-L485 PolarHBondContact O-N 3.35Å; Q483-N486 PolarHBondContact O-ND2 3.11Å
484L92.7Very high93.4Very high0 Ų06.3 Ų6.30%03%0.033CC..Hα-helixtrans-65.7-35.6177-170.664000111.9L382 L387 A390 L411 T415 R481 N482 N486 I487 F488L382-L484 HydrophobicContact CD1-CD1 3.76Å; L387-L484 HydrophobicContact CD2-CD1 3.66Å; L387-L484 HydrophobicContact CD2-CD2 4Å; L387-L484 HydrophobicContact CD2-CG 4.49Å; A390-L484 HydrophobicContact CB-CD2 3.95Å; L411-L484 HydrophobicContact CD2-CD2 4.23Å; T415-L484 HydrophobicContact CG2-CD1 4.13Å; R481-L484 VanDerWaalsContact O-CB 3.27Å; R481-L484 WeakPolarHBondContact O-CB 3.3Å; R481-L484 PolarHBondContact O-N 2.87Å; R481-L484 VanDerWaalsContact O-N 3.1Å; N482-L484 VanDerWaalsContact C-N 3.3Å; L484-N486 PolarHBondContact O-N 2.93Å; L484-I487 PolarHBondContact O-N 3.43Å; L484-I487 VanDerWaalsContact O-N 3.14Å; L484-F488 HydrophobicContact CD1-CD2 4.09Å; L484-F488 HydrophobicContact CD1-CE2 3.54Å; L484-F488 HydrophobicContact CD2-CD2 4.5Å; L484-F488 HydrophobicContact CD2-CE2 4.14Å; L484-F488 HydrophobicContact CG-CD2 3.78Å; L484-F488 HydrophobicContact CG-CE2 3.62Å; L484-F488 WeakPolarHBondContact O-CD2 3.36Å
485L92.6Very high93.7Very high0 Ų06 Ų60%03%0.031CC..Hα-helixtrans-53.8-34.9-172.8-65.3177.2000113.7R481 N482 Q483 I487 F488 V489 F524 L571 F572 F575R481-L485 PolarHBondContact O-N 3.17Å; N482-L485 HydrophobicContact CB-CD1 4.16Å; N482-L485 WeakPolarHBondContact O-CB 3.49Å; N482-L485 PolarHBondContact O-N 3.41Å; N482-L485 VanDerWaalsContact OD1-CD1 3.29Å; N482-L485 WeakPolarHBondContact OD1-CD1 3.46Å; Q483-L485 VanDerWaalsContact C-N 3.33Å; Q483-L485 PolarHBondContact O-N 3.35Å; L485-I487 PolarHBondContact O-N 3.43Å; L485-I487 VanDerWaalsContact O-N 3.13Å; L485-F488 CarbonylContact O-C 3.53Å; L485-F488 PolarHBondContact O-N 3.15Å; L485-V489 WeakPolarHBondContact O-CG2 3.49Å; L485-V489 PolarHBondContact O-N 2.74Å; L485-F524 HydrophobicContact CB-CE1 3.99Å; L485-F524 HydrophobicContact CD1-CE1 3.93Å; L485-F524 HydrophobicContact CD1-CZ 4.21Å; L485-L571 HydrophobicContact CD2-CD1 3.73Å; L485-L571 HydrophobicContact CD2-CD2 3.82Å; L485-L571 HydrophobicContact CD2-CG 3.43Å; L485-L571 VanDerWaalsContact CD2-CG 3.43Å; L485-F572 HydrophobicContact CD2-CD2 4.33Å; L485-F572 HydrophobicContact CD2-CE2 3.77Å; L485-F572 HydrophobicContact CD2-CZ 4.28Å; L485-F575 HydrophobicContact CD1-CE2 3.37Å; L485-F575 HydrophobicContact CD1-CZ 3.28Å; L485-F575 HydrophobicContact CD2-CE2 4.38Å
486N84.5Confident93.8Very high9 Ų96.3 Ų6.35%0.0483%0.033CC..Hα-helixtrans-56.5-32.5-176.4-66-55.6000113.2I377 Q483 L484I377-N486 HydrophobicContact CD1-CB 4.48Å; I377-N486 HydrophobicContact CG1-CB 4.29Å; I377-N486 HydrophobicContact CG2-CB 3.62Å; Q483-N486 PolarHBondContact O-ND2 3.11Å; L484-N486 PolarHBondContact O-N 2.93Å
487I91.3Very high93.8Very high24 Ų246 Ų612%0.1233%0.031CC..Hα-helixtrans-79.7-29.5177.3-69150.1000111.5L382 F418 L484 L485L382-I487 HydrophobicContact CD1-CD1 3.14Å; L382-I487 HydrophobicContact CD2-CD1 4.06Å; L382-I487 HydrophobicContact CG-CD1 3.86Å; F418-I487 HydrophobicContact CB-CG2 3.77Å; L484-I487 PolarHBondContact O-N 3.43Å; L484-I487 VanDerWaalsContact O-N 3.14Å; L485-I487 PolarHBondContact O-N 3.43Å; L485-I487 VanDerWaalsContact O-N 3.13Å
488F95.1Very high93.7Very high0 Ų06.3 Ų6.30%03%0.033CC..Hα-helixtrans-95.7-10.4-173.2-72.3-95000113.9L411 L414 T415 F418 L484 L485 R490 P491 S492 F567 L568 L571L411-F488 HydrophobicContact CD1-CE1 4.34Å; L411-F488 HydrophobicContact CD1-CZ 3.93Å; L414-F488 HydrophobicContact CD2-CE1 3.91Å; L414-F488 HydrophobicContact CG-CE1 3.99Å; L414-F488 HydrophobicContact CG-CZ 4.45Å; T415-F488 HydrophobicContact CG2-CE2 4.33Å; T415-F488 WeakPolarHBondContact OG1-CZ 3.22Å; F418-F488 AromaticContact CD2-CD1 3.57Å; F418-F488 HydrophobicContact CD2-CD1 3.57Å; F418-F488 AromaticContact CD2-CE1 3.45Å; F418-F488 HydrophobicContact CD2-CE1 3.45Å; F418-F488 VanDerWaalsContact CD2-CE1 3.45Å; F418-F488 HydrophobicContact CD2-CG 4.3Å; F418-F488 HydrophobicContact CD2-CZ 4.07Å; F418-F488 AromaticContact CE2-CD1 3.58Å; F418-F488 HydrophobicContact CE2-CD1 3.58Å; F418-F488 AromaticContact CE2-CE1 3.54Å; F418-F488 HydrophobicContact CE2-CE1 3.54Å; L484-F488 HydrophobicContact CD1-CD2 4.09Å; L484-F488 HydrophobicContact CD1-CE2 3.54Å; L484-F488 HydrophobicContact CD2-CD2 4.5Å; L484-F488 HydrophobicContact CD2-CE2 4.14Å; L484-F488 HydrophobicContact CG-CD2 3.78Å; L484-F488 HydrophobicContact CG-CE2 3.62Å; L484-F488 WeakPolarHBondContact O-CD2 3.36Å; L485-F488 CarbonylContact O-C 3.53Å; L485-F488 PolarHBondContact O-N 3.15Å; F488-R490 PolarHBondContact O-N 3.44Å; F488-P491 VanDerWaalsContact O-CD 3.22Å; F488-P491 WeakPolarHBondContact O-CD 3.39Å; F488-P491 WeakPolarHBondContact O-CG 3.39Å; F488-S492 WeakPolarHBondContact O-CB 3.5Å; F488-S492 PolarHBondContact O-N 3Å; F488-S492 PolarHBondContact O-OG 3.31Å; F488-S492 VanDerWaalsContact O-OG 3.13Å; F488-F567 HydrophobicContact CD1-CE1 4.46Å; F488-F567 HydrophobicContact CE1-CE1 4.11Å; F488-L568 HydrophobicContact CD1-CD2 3.45Å; F488-L568 VanDerWaalsContact CD1-CD2 3.45Å; F488-L568 HydrophobicContact CE1-CD2 4.1Å; F488-L568 HydrophobicContact CG-CD2 4.48Å; F488-L571 HydrophobicContact CB-CD2 3.65Å; F488-L571 HydrophobicContact CD1-CD2 4.2Å; F488-L571 HydrophobicContact CD2-CD2 4.45Å; F488-L571 HydrophobicContact CG-CD2 3.85Å
489V95.3Very high93.6Very high1 Ų112.4 Ų12.41%0.0066%0.061CC..Hα-helixtrans-49.3-55.4-174.4-177.20000113.1L485 L493 F524 F526 F572L485-V489 WeakPolarHBondContact O-CG2 3.49Å; L485-V489 PolarHBondContact O-N 2.74Å; V489-L493 HydrophobicContact CG1-CD1 4.16Å; V489-L493 HydrophobicContact CG1-CG 4.37Å; V489-L493 WeakPolarHBondContact O-CB 3.47Å; V489-L493 VanDerWaalsContact O-CG 3.28Å; V489-L493 WeakPolarHBondContact O-CG 3.06Å; V489-L493 PolarHBondContact O-N 3.01Å; V489-F524 HydrophobicContact CG1-CB 3.99Å; V489-F524 HydrophobicContact CG1-CD2 4.19Å; V489-F524 HydrophobicContact CG1-CG 3.99Å; V489-F524 HydrophobicContact CG2-CB 4.1Å; V489-F524 HydrophobicContact CG2-CD1 3.58Å; V489-F524 HydrophobicContact CG2-CE1 4.15Å; V489-F524 HydrophobicContact CG2-CG 3.83Å; V489-F526 HydrophobicContact CG1-CE1 3.6Å; V489-F526 HydrophobicContact CG1-CE2 4.48Å; V489-F526 HydrophobicContact CG1-CZ 3.37Å; V489-F572 HydrophobicContact CB-CZ 4.22Å; V489-F572 HydrophobicContact CG1-CE1 4.48Å; V489-F572 HydrophobicContact CG1-CZ 4.44Å; V489-F572 HydrophobicContact CG2-CZ 4.13Å
490R95.5Very high93.3Very high20 Ų2012.5 Ų12.58%0.0756%0.059CC..Hα-helixtrans-63.5-56.1-175.5-69.982.9179133.211.3112F488 S492 L493 V494 I525 D534 E537F488-R490 PolarHBondContact O-N 3.44Å; R490-S492 VanDerWaalsContact C-N 3.31Å; R490-S492 PolarHBondContact O-N 2.55Å; R490-L493 PolarHBondContact O-N 3.07Å; R490-V494 PolarHBondContact O-N 3.5Å; R490-I525 PolarHBondContact NH1-O 3.17Å; R490-I525 PolarHBondContact NH2-O 3.49Å; R490-D534 HydrophobicContact CG-CB 4.32Å; R490-D534 IonicContact CZ-OD1 2.83Å; R490-D534 IonicContact NE-OD1 3.06Å; R490-D534 PolarHBondContact NE-OD1 3.35Å; R490-D534 IonicContact NH2-OD1 2.86Å; R490-D534 PolarHBondContact NH2-OD1 3.16Å; R490-E537 IonicContact NE-OE2 2.73Å
491P96.3Very high92.8Very high0 Ų012.8 Ų12.80%06%0.061CC..Hα-helixtrans-63.6-35.2179.623.6-32.9000112.6F418 F488 V494 A495 L541 L542 L568F418-P491 HydrophobicContact CD2-CG 3.87Å; F418-P491 HydrophobicContact CE2-CB 4Å; F418-P491 HydrophobicContact CE2-CG 3.62Å; F418-P491 HydrophobicContact CG-CG 4.49Å; F418-P491 HydrophobicContact CZ-CB 3.95Å; F418-P491 HydrophobicContact CZ-CG 4.04Å; F488-P491 VanDerWaalsContact O-CD 3.22Å; F488-P491 WeakPolarHBondContact O-CD 3.39Å; F488-P491 WeakPolarHBondContact O-CG 3.39Å; P491-V494 PolarHBondContact O-N 3Å; P491-A495 WeakPolarHBondContact O-CB 3.47Å; P491-A495 PolarHBondContact O-N 2.87Å; P491-L541 HydrophobicContact CG-CD1 4.29Å; P491-L542 HydrophobicContact CB-CD1 4.48Å; P491-L542 HydrophobicContact CB-CD2 3.99Å; P491-L542 HydrophobicContact CB-CG 3.94Å; P491-L568 HydrophobicContact CB-CD1 4.24Å
492S96.8Very high91.7Very high0 Ų018.2 Ų18.20%010%0.098CC..Hα-helixtrans-67.4-40.6176.4-71.20000113.3F488 R490 V494 A495 V496 L568 F572F488-S492 WeakPolarHBondContact O-CB 3.5Å; F488-S492 PolarHBondContact O-N 3Å; F488-S492 PolarHBondContact O-OG 3.31Å; F488-S492 VanDerWaalsContact O-OG 3.13Å; R490-S492 VanDerWaalsContact C-N 3.31Å; R490-S492 PolarHBondContact O-N 2.55Å; S492-V494 VanDerWaalsContact C-N 3.28Å; S492-V494 PolarHBondContact O-N 2.84Å; S492-A495 PolarHBondContact O-N 2.83Å; S492-V496 VanDerWaalsContact O-CG2 3.32Å; S492-V496 WeakPolarHBondContact O-CG2 3.29Å; S492-V496 PolarHBondContact O-N 3.26Å; S492-L568 WeakPolarHBondContact OG-CD2 3.44Å; S492-L568 PolarHBondContact OG-O 2.94Å; S492-F572 WeakPolarHBondContact OG-CD2 3.38Å; S492-F572 WeakPolarHBondContact OG-CE2 3.2Å
493L96.1Very high90.5Very high1 Ų119.2 Ų19.21%0.00511%0.11CC..Hα-helixtrans-64.6-34.7174.9-72.1-171.5000112V489 R490 A497 F513 L516 R517 F520 F526 F572V489-L493 HydrophobicContact CG1-CD1 4.16Å; V489-L493 HydrophobicContact CG1-CG 4.37Å; V489-L493 WeakPolarHBondContact O-CB 3.47Å; V489-L493 VanDerWaalsContact O-CG 3.28Å; V489-L493 WeakPolarHBondContact O-CG 3.06Å; V489-L493 PolarHBondContact O-N 3.01Å; R490-L493 PolarHBondContact O-N 3.07Å; L493-A497 VanDerWaalsContact O-CB 3.23Å; L493-A497 WeakPolarHBondContact O-CB 3.42Å; L493-A497 PolarHBondContact O-N 3.25Å; L493-F513 HydrophobicContact CB-CD2 3.67Å; L493-F513 HydrophobicContact CB-CE2 3.56Å; L493-F513 HydrophobicContact CD1-CE2 4.3Å; L493-L516 HydrophobicContact CD2-CB 4.11Å; L493-R517 HydrophobicContact CD1-CB 4.38Å; L493-F520 HydrophobicContact CD2-CD2 3.9Å; L493-F520 HydrophobicContact CD2-CE2 4.3Å; L493-F526 HydrophobicContact CD1-CE1 4.15Å; L493-F526 HydrophobicContact CD1-CZ 3.66Å; L493-F572 HydrophobicContact CD2-CD1 4.08Å; L493-F572 HydrophobicContact CD2-CE1 4.26Å
494V95.7Very high89.9Confident0 Ų022 Ų220%012%0.124CC..Hα-helixtrans-66.1-43.8171.6176.20000110.8R490 P491 S492 A497 L498 F513 F535 L542R490-V494 PolarHBondContact O-N 3.5Å; P491-V494 PolarHBondContact O-N 3Å; S492-V494 VanDerWaalsContact C-N 3.28Å; S492-V494 PolarHBondContact O-N 2.84Å; V494-A497 PolarHBondContact O-N 3.35Å; V494-L498 HydrophobicContact CG1-CD1 4.06Å; V494-L498 HydrophobicContact CG1-CG 4.44Å; V494-L498 WeakPolarHBondContact O-CG 3.39Å; V494-L498 PolarHBondContact O-N 2.78Å; V494-F513 HydrophobicContact CG2-CD2 3.76Å; V494-F513 HydrophobicContact CG2-CE2 3.89Å; V494-F535 HydrophobicContact CG1-CE2 4.47Å; V494-F535 HydrophobicContact CG2-CD2 3.87Å; V494-F535 HydrophobicContact CG2-CE2 4.07Å; V494-L542 HydrophobicContact CB-CD1 3.88Å; V494-L542 HydrophobicContact CG1-CD1 3.62Å
495A95.1Very high89.6Confident1 Ų128.7 Ų28.71%0.00815%0.15CC..Hα-helixtrans-61.7-44.4178.100000112.5P491 S492 L498 H499 L565 L568 I569P491-A495 WeakPolarHBondContact O-CB 3.47Å; P491-A495 PolarHBondContact O-N 2.87Å; S492-A495 PolarHBondContact O-N 2.83Å; A495-L498 PolarHBondContact O-N 3.05Å; A495-H499 PolarHBondContact O-N 2.8Å; A495-L565 HydrophobicContact CB-CD2 3.49Å; A495-L565 VanDerWaalsContact CB-CD2 3.49Å; A495-L568 HydrophobicContact CB-CB 3.75Å; A495-L568 HydrophobicContact CB-CD1 4.07Å; A495-I569 HydrophobicContact CB-CG1 4.1Å
496V94.6Very high89.4Confident9 Ų931.8 Ų31.86%0.05516%0.163CC..Hα-helixtrans-63.6-45.3174.1176.40000110.1S492 L498 H499 M500 L516 I569 F572 V576S492-V496 VanDerWaalsContact O-CG2 3.32Å; S492-V496 WeakPolarHBondContact O-CG2 3.29Å; S492-V496 PolarHBondContact O-N 3.26Å; V496-L498 VanDerWaalsContact C-N 3.31Å; V496-L498 PolarHBondContact O-N 2.95Å; V496-H499 WeakPolarHBondContact O-CB 3.33Å; V496-H499 PolarHBondContact O-N 2.7Å; V496-H499 VanDerWaalsContact O-N 3.11Å; V496-M500 HydrophobicContact CG1-CG 4.13Å; V496-M500 HydrophobicContact CG1-SD 3.74Å; V496-M500 VanDerWaalsContact O-CG 3.23Å; V496-M500 WeakPolarHBondContact O-CG 3.4Å; V496-M500 PolarHBondContact O-N 2.9Å; V496-L516 HydrophobicContact CB-CD1 4.05Å; V496-L516 HydrophobicContact CG1-CD1 3.67Å; V496-L516 HydrophobicContact CG1-CD2 4.49Å; V496-I569 HydrophobicContact CG2-CG1 4.36Å; V496-F572 HydrophobicContact CG2-CB 4.05Å; V496-V576 HydrophobicContact CG1-CG2 4.4Å
497A93.6Very high89.7Confident0 Ų037.4 Ų37.40%019%0.189CC..Hα-helixtrans-60.5-38.1177.500000113.1L493 V494 M500 T501 V509 C512 F513 L516L493-A497 VanDerWaalsContact O-CB 3.23Å; L493-A497 WeakPolarHBondContact O-CB 3.42Å; L493-A497 PolarHBondContact O-N 3.25Å; V494-A497 PolarHBondContact O-N 3.35Å; A497-M500 PolarHBondContact O-N 3.45Å; A497-T501 VanDerWaalsContact O-CB 3.31Å; A497-T501 WeakPolarHBondContact O-CB 3.49Å; A497-T501 PolarHBondContact O-N 3.44Å; A497-T501 VanDerWaalsContact O-N 3.15Å; A497-T501 PolarHBondContact O-OG1 2.92Å; A497-V509 HydrophobicContact CB-CG1 3.87Å; A497-C512 HydrophobicContact CB-CB 3.94Å; A497-F513 HydrophobicContact CB-CB 4.21Å; A497-L516 HydrophobicContact CB-CD1 4.21Å
498L91.9Very high89.6Confident10 Ų1036.9 Ų36.95%0.05219%0.187CC..Hα-helixtrans-63.1-42.7173.6-76.7166.5000111.6V494 A495 V496 T501 L504 V509 I548 I555 L565V494-L498 HydrophobicContact CG1-CD1 4.06Å; V494-L498 HydrophobicContact CG1-CG 4.44Å; V494-L498 WeakPolarHBondContact O-CG 3.39Å; V494-L498 PolarHBondContact O-N 2.78Å; A495-L498 PolarHBondContact O-N 3.05Å; V496-L498 VanDerWaalsContact C-N 3.31Å; V496-L498 PolarHBondContact O-N 2.95Å; L498-T501 PolarHBondContact O-N 3.32Å; L498-L504 HydrophobicContact CD2-CD2 4.05Å; L498-V509 HydrophobicContact CD2-CG1 4.07Å; L498-V509 HydrophobicContact CD2-CG2 3.73Å; L498-V509 HydrophobicContact CG-CG1 4.05Å; L498-V509 HydrophobicContact CG-CG2 4.49Å; L498-I548 HydrophobicContact CD1-CG2 4.21Å; L498-I555 HydrophobicContact CD1-CG2 4.39Å; L498-I555 HydrophobicContact CD2-CB 4.11Å; L498-I555 HydrophobicContact CD2-CD1 4.25Å; L498-I555 HydrophobicContact CD2-CG2 3.99Å; L498-L565 HydrophobicContact CD1-CD2 4.31Å
499H89.8Confident89.4Confident132 Ų13236.9 Ų36.961%0.61119%0.187SC*.Hα-helixtrans-66.7-36.8177.6-176.170.9000112.9A495 V496 T501 I569A495-H499 PolarHBondContact O-N 2.8Å; V496-H499 WeakPolarHBondContact O-CB 3.33Å; V496-H499 PolarHBondContact O-N 2.7Å; V496-H499 VanDerWaalsContact O-N 3.11Å; H499-T501 VanDerWaalsContact C-N 3.31Å; H499-I569 HydrophobicContact CB-CD1 3.7Å; H499-I569 HydrophobicContact CB-CG1 4.37Å
500M87.5Confident89.3Confident15 Ų1539.6 Ų39.67%0.07420%0.199CC..Hα-helixtrans-78-14.8-179.7-63.3-176.579.900113.6V496 A497 L516 M664 C667 I671V496-M500 HydrophobicContact CG1-CG 4.13Å; V496-M500 HydrophobicContact CG1-SD 3.74Å; V496-M500 VanDerWaalsContact O-CG 3.23Å; V496-M500 WeakPolarHBondContact O-CG 3.4Å; V496-M500 PolarHBondContact O-N 2.9Å; A497-M500 PolarHBondContact O-N 3.45Å; M500-L516 HydrophobicContact SD-CD1 4.1Å; M500-L516 HydrophobicContact SD-CD2 3.93Å; M500-L516 HydrophobicContact SD-CG 4.42Å; M500-M664 WeakPolarHBondContact CE-O 3.45Å; M500-C667 VanDerWaalsContact CG-SG 3.58Å; M500-I671 HydrophobicContact CE-CD1 3.95Å
501T84.8Confident89.2Confident13 Ų1339.8 Ų39.88%0.0820%0.203CC..  trans-108.7114.2-173.7-510000110.3A497 L498 H499 G503 D508A497-T501 VanDerWaalsContact O-CB 3.31Å; A497-T501 WeakPolarHBondContact O-CB 3.49Å; A497-T501 PolarHBondContact O-N 3.44Å; A497-T501 VanDerWaalsContact O-N 3.15Å; A497-T501 PolarHBondContact O-OG1 2.92Å; L498-T501 PolarHBondContact O-N 3.32Å; H499-T501 VanDerWaalsContact C-N 3.31Å; T501-G503 WeakPolarHBondContact CG2-O 3.25Å; T501-G503 PolarHBondContact O-N 3.45Å; T501-D508 HydrophobicContact CG2-CB 3.53Å
502P70.9Confident89Confident123 Ų12339.8 Ų39.880%0.79920%0.203SC*.SBendtrans-67.3-19.3-18024.5-32.3000113.4
503G68.1Low88.9Confident27 Ų2739.8 Ų39.828%0.27820%0.203SC..SBendtrans-101.6129.3174.800000112.2T501 R505T501-G503 WeakPolarHBondContact CG2-O 3.25Å; T501-G503 PolarHBondContact O-N 3.45Å; G503-R505 PolarHBondContact O-N 3.22Å
504L79.8Confident88.8Confident76 Ų7641.4 Ų41.440%0.39821%0.214SC..  trans-78.225.7176.7-70.1174.8000113.6L498 A554 I555 I557L498-L504 HydrophobicContact CD2-CD2 4.05Å; L504-A554 CarbonylContact O-C 3.49Å; L504-A554 VanDerWaalsContact O-CA 3.28Å; L504-A554 WeakPolarHBondContact O-CA 3.34Å; L504-I555 WeakPolarHBondContact CB-O 3.45Å; L504-I555 WeakPolarHBondContact CD2-O 3.29Å; L504-I555 PolarHBondContact O-N 3.41Å; L504-I557 HydrophobicContact CD2-CD1 4.32Å
505R87.2Confident88.7Confident141 Ų14141.8 Ų41.853%0.53222%0.216SC..BIsolated β-bridgetrans-81.4132.6178.3-58.7-169.9-55.5166.58.8109.8G503 E507 D508 V509G503-R505 PolarHBondContact O-N 3.22Å; R505-E507 PolarHBondContact O-N 2.88Å; R505-E507 VanDerWaalsContact O-N 3.16Å; R505-D508 IonicContact CZ-OD1 3.03Å; R505-D508 IonicContact CZ-OD2 3.16Å; R505-D508 VanDerWaalsContact CZ-OD2 3.24Å; R505-D508 IonicContact NE-OD1 3.83Å; R505-D508 IonicContact NE-OD2 2.73Å; R505-D508 PolarHBondContact NE-OD2 3.05Å; R505-D508 IonicContact NH2-OD1 3.82Å; R505-D508 PolarHBondContact NH2-OD1 2.94Å; R505-D508 IonicContact NH2-OD2 3.03Å; R505-D508 PolarHBondContact NH2-OD2 2.87Å; R505-D508 PolarHBondContact O-N 3.24Å; R505-D508 VanDerWaalsContact O-N 3.14Å; R505-V509 WeakPolarHBondContact O-CG2 3.37Å; R505-V509 PolarHBondContact O-N 3.44Å
506K88.4Confident88.7Confident65 Ų6541.8 Ų41.828%0.28322%0.216SC..Hα-helixtrans-54.5-38.5-178.5-172.6-176.8-178.5-1780112.7F510 F535 M550 K553 I555K506-F510 VanDerWaalsContact O-CB 3.26Å; K506-F510 WeakPolarHBondContact O-CB 3.37Å; K506-F510 PolarHBondContact O-N 3.21Å; K506-F535 HydrophobicContact CG-CE1 3.97Å; K506-F535 HydrophobicContact CG-CZ 4.23Å; K506-M550 HydrophobicContact CD-CE 3.62Å; K506-M550 HydrophobicContact CG-CE 4.01Å; K506-K553 WeakPolarHBondContact CB-O 3.37Å; K506-K553 PolarHBondContact N-O 2.81Å; K506-I555 HydrophobicContact CB-CG1 4.44Å
507E89.4Confident88.7Confident127 Ų12742.7 Ų42.759%0.59322%0.218SC*.Hα-helixtrans-66.9-39-178.5-65.8172.5-166.100113R505 S511R505-E507 PolarHBondContact O-N 2.88Å; R505-E507 VanDerWaalsContact O-N 3.16Å; E507-S511 PolarHBondContact O-N 3.38Å; E507-S511 PolarHBondContact O-OG 3.22Å
508D89.5Confident88.7Confident14 Ų1446 Ų468%0.07524%0.236CC..Hα-helixtrans-71.1-44.5179.3-60.8-29.5000110.1T501 R505 F510 S511 C512T501-D508 HydrophobicContact CG2-CB 3.53Å; R505-D508 IonicContact CZ-OD1 3.03Å; R505-D508 IonicContact CZ-OD2 3.16Å; R505-D508 VanDerWaalsContact CZ-OD2 3.24Å; R505-D508 IonicContact NE-OD1 3.83Å; R505-D508 IonicContact NE-OD2 2.73Å; R505-D508 PolarHBondContact NE-OD2 3.05Å; R505-D508 IonicContact NH2-OD1 3.82Å; R505-D508 PolarHBondContact NH2-OD1 2.94Å; R505-D508 IonicContact NH2-OD2 3.03Å; R505-D508 PolarHBondContact NH2-OD2 2.87Å; R505-D508 PolarHBondContact O-N 3.24Å; R505-D508 VanDerWaalsContact O-N 3.14Å; D508-F510 VanDerWaalsContact C-N 3.33Å; D508-F510 PolarHBondContact O-N 3.23Å; D508-S511 WeakPolarHBondContact O-CB 3.11Å; D508-S511 PolarHBondContact O-N 2.97Å; D508-C512 PolarHBondContact O-N 3.42Å
509V91.8Very high88.8Confident0 Ų045.5 Ų45.50%023%0.234CC..Hα-helixtrans-62.4-41.8176.2-177.30000110.4A497 L498 R505 S511 C512 F513 F535 I555A497-V509 HydrophobicContact CB-CG1 3.87Å; L498-V509 HydrophobicContact CD2-CG1 4.07Å; L498-V509 HydrophobicContact CD2-CG2 3.73Å; L498-V509 HydrophobicContact CG-CG1 4.05Å; L498-V509 HydrophobicContact CG-CG2 4.49Å; R505-V509 WeakPolarHBondContact O-CG2 3.37Å; R505-V509 PolarHBondContact O-N 3.44Å; V509-S511 VanDerWaalsContact C-N 3.33Å; V509-S511 PolarHBondContact O-N 3.18Å; V509-C512 PolarHBondContact O-N 3.32Å; V509-F513 VanDerWaalsContact O-CB 3.29Å; V509-F513 WeakPolarHBondContact O-CB 3.4Å; V509-F513 PolarHBondContact O-N 2.94Å; V509-F535 HydrophobicContact CG1-CE2 3.98Å; V509-F535 HydrophobicContact CG1-CZ 4.32Å; V509-I555 HydrophobicContact CB-CD1 4.29Å; V509-I555 HydrophobicContact CG1-CD1 4.25Å; V509-I555 HydrophobicContact CG2-CD1 4.32Å
510F93.3Very high89Confident57 Ų5739.3 Ų39.325%0.2521%0.205CC..Hα-helixtrans-62.5-39.1175.3176.3-111.6000112.5K506 D508 F513 S514 T531 L532 F535K506-F510 VanDerWaalsContact O-CB 3.26Å; K506-F510 WeakPolarHBondContact O-CB 3.37Å; K506-F510 PolarHBondContact O-N 3.21Å; D508-F510 VanDerWaalsContact C-N 3.33Å; D508-F510 PolarHBondContact O-N 3.23Å; F510-F513 PolarHBondContact O-N 2.85Å; F510-S514 VanDerWaalsContact O-CB 3.32Å; F510-S514 WeakPolarHBondContact O-CB 3.17Å; F510-S514 PolarHBondContact O-N 3.47Å; F510-S514 PolarHBondContact O-OG 3.06Å; F510-T531 HydrophobicContact CE2-CG2 4.13Å; F510-T531 HydrophobicContact CZ-CG2 4.23Å; F510-L532 HydrophobicContact CD2-CD1 4.47Å; F510-L532 HydrophobicContact CE2-CB 4.4Å; F510-L532 HydrophobicContact CE2-CD1 3.98Å; F510-L532 HydrophobicContact CZ-CB 4.38Å; F510-L532 HydrophobicContact CZ-CD1 4.17Å; F510-F535 HydrophobicContact CB-CD1 4.32Å; F510-F535 HydrophobicContact CB-CE1 4.01Å; F510-F535 HydrophobicContact CB-CE2 4.39Å; F510-F535 HydrophobicContact CB-CZ 4.04Å; F510-F535 HydrophobicContact CD2-CB 3.79Å; F510-F535 AromaticContact CD2-CD1 3.59Å; F510-F535 HydrophobicContact CD2-CD1 3.59Å; F510-F535 HydrophobicContact CD2-CD2 4.12Å; F510-F535 HydrophobicContact CD2-CE1 4.15Å; F510-F535 AromaticContact CD2-CG 3.56Å; F510-F535 HydrophobicContact CD2-CG 3.56Å; F510-F535 HydrophobicContact CE2-CB 3.97Å; F510-F535 HydrophobicContact CE2-CD1 4.39Å; F510-F535 HydrophobicContact CE2-CG 4.25Å; F510-F535 HydrophobicContact CG-CD1 4.35Å; F510-F535 HydrophobicContact CG-CE1 4.49Å
511S92.2Very high89.3Confident24 Ų2440 Ų4017%0.16821%0.211CC..Hα-helixtrans-65.2-44176.7-59.40000111.2E507 D508 V509 S514 F515E507-S511 PolarHBondContact O-N 3.38Å; E507-S511 PolarHBondContact O-OG 3.22Å; D508-S511 WeakPolarHBondContact O-CB 3.11Å; D508-S511 PolarHBondContact O-N 2.97Å; V509-S511 VanDerWaalsContact C-N 3.33Å; V509-S511 PolarHBondContact O-N 3.18Å; S511-S514 PolarHBondContact O-N 3.3Å; S511-F515 PolarHBondContact O-N 3.09Å
512C92.6Very high89.7Confident0 Ų040.7 Ų40.70%021%0.214CC..Hα-helixtrans-65.2-44.3174.8-175.30000112.2A497 D508 V509 S514 F515 L516 I671A497-C512 HydrophobicContact CB-CB 3.94Å; D508-C512 PolarHBondContact O-N 3.42Å; V509-C512 PolarHBondContact O-N 3.32Å; C512-S514 VanDerWaalsContact C-N 3.32Å; C512-S514 PolarHBondContact O-N 3.39Å; C512-F515 WeakPolarHBondContact O-CB 3.38Å; C512-F515 PolarHBondContact O-N 3.04Å; C512-L516 WeakPolarHBondContact O-CG 3.29Å; C512-L516 PolarHBondContact O-N 2.66Å; C512-I671 HydrophobicContact CB-CB 4.35Å; C512-I671 HydrophobicContact CB-CG2 4.2Å
513F94.6Very high90.8Very high0 Ų035 Ų350%018%0.177CC..Hα-helixtrans-57.2-45.4173.7174.5-88.5000111.7L493 V494 A497 V509 F510 F515 L516 R517 T531 D534 F535L493-F513 HydrophobicContact CB-CD2 3.67Å; L493-F513 HydrophobicContact CB-CE2 3.56Å; L493-F513 HydrophobicContact CD1-CE2 4.3Å; V494-F513 HydrophobicContact CG2-CD2 3.76Å; V494-F513 HydrophobicContact CG2-CE2 3.89Å; A497-F513 HydrophobicContact CB-CB 4.21Å; V509-F513 VanDerWaalsContact O-CB 3.29Å; V509-F513 WeakPolarHBondContact O-CB 3.4Å; V509-F513 PolarHBondContact O-N 2.94Å; F510-F513 PolarHBondContact O-N 2.85Å; F513-F515 VanDerWaalsContact C-N 3.29Å; F513-F515 PolarHBondContact O-N 2.94Å; F513-L516 PolarHBondContact O-N 3.19Å; F513-R517 VanDerWaalsContact O-CB 3.3Å; F513-R517 WeakPolarHBondContact O-CB 3.29Å; F513-R517 PolarHBondContact O-N 2.94Å; F513-T531 HydrophobicContact CE1-CG2 4.47Å; F513-D534 HydrophobicContact CE1-CB 4.15Å; F513-D534 HydrophobicContact CZ-CB 3.91Å; F513-F535 HydrophobicContact CB-CD2 3.86Å; F513-F535 HydrophobicContact CB-CE2 4.26Å; F513-F535 HydrophobicContact CD1-CB 3.77Å; F513-F535 AromaticContact CD1-CD2 3.92Å; F513-F535 HydrophobicContact CD1-CD2 3.92Å; F513-F535 HydrophobicContact CD1-CG 4.27Å; F513-F535 AromaticContact CD2-CD2 3.97Å; F513-F535 HydrophobicContact CD2-CD2 3.97Å; F513-F535 HydrophobicContact CE1-CB 3.68Å; F513-F535 HydrophobicContact CE1-CD2 4.48Å; F513-F535 HydrophobicContact CE2-CD2 4.5Å; F513-F535 HydrophobicContact CG-CB 4.34Å; F513-F535 AromaticContact CG-CD2 3.65Å; F513-F535 HydrophobicContact CG-CD2 3.65Å; F513-F535 HydrophobicContact CG-CE2 4.47Å; F513-F535 HydrophobicContact CG-CG 4.44Å; F513-F535 HydrophobicContact CZ-CB 4.16Å
514S94.9Very high92Very high35 Ų3533.9 Ų33.925%0.24516%0.164CC..Hα-helixtrans-61.9-39.4178.6-63.10000111.7F510 S511 C512 N518 T531F510-S514 VanDerWaalsContact O-CB 3.32Å; F510-S514 WeakPolarHBondContact O-CB 3.17Å; F510-S514 PolarHBondContact O-N 3.47Å; F510-S514 PolarHBondContact O-OG 3.06Å; S511-S514 PolarHBondContact O-N 3.3Å; C512-S514 VanDerWaalsContact C-N 3.32Å; C512-S514 PolarHBondContact O-N 3.39Å; S514-N518 PolarHBondContact O-N 3.27Å; S514-N518 VanDerWaalsContact O-N 3.16Å; S514-T531 WeakPolarHBondContact OG-CG2 3.33Å
515F93.8Very high92.7Very high9 Ų930.3 Ų30.34%0.03915%0.146CC..Hα-helixtrans-62.4-53.7172.5165.8-100.8000111.5S511 C512 F513 R517 N518 V519 L661 M664 L665 I671 L679S511-F515 PolarHBondContact O-N 3.09Å; C512-F515 WeakPolarHBondContact O-CB 3.38Å; C512-F515 PolarHBondContact O-N 3.04Å; F513-F515 VanDerWaalsContact C-N 3.29Å; F513-F515 PolarHBondContact O-N 2.94Å; F515-R517 VanDerWaalsContact C-N 3.33Å; F515-R517 PolarHBondContact O-N 2.86Å; F515-N518 WeakPolarHBondContact O-CA 3.31Å; F515-N518 WeakPolarHBondContact O-CB 3.48Å; F515-N518 PolarHBondContact O-N 3.19Å; F515-V519 HydrophobicContact CD1-CG2 4.43Å; F515-V519 HydrophobicContact CD2-CG2 4.24Å; F515-V519 HydrophobicContact CE1-CG2 4.01Å; F515-V519 HydrophobicContact CE2-CG2 3.8Å; F515-V519 HydrophobicContact CZ-CG2 3.68Å; F515-V519 WeakPolarHBondContact O-CG2 3.39Å; F515-V519 PolarHBondContact O-N 2.77Å; F515-L661 HydrophobicContact CE2-CD1 4.04Å; F515-L661 HydrophobicContact CZ-CD1 3.7Å; F515-M664 HydrophobicContact CD1-CE 4.27Å; F515-M664 HydrophobicContact CD2-CE 3.55Å; F515-M664 HydrophobicContact CE1-CB 4.26Å; F515-M664 HydrophobicContact CE1-CE 4.22Å; F515-M664 HydrophobicContact CE2-CE 3.49Å; F515-M664 VanDerWaalsContact CE2-CE 3.49Å; F515-M664 HydrophobicContact CE2-SD 4.07Å; F515-M664 HydrophobicContact CG-CE 3.95Å; F515-M664 HydrophobicContact CZ-CB 3.95Å; F515-M664 HydrophobicContact CZ-CE 3.83Å; F515-M664 HydrophobicContact CZ-SD 4.29Å; F515-L665 HydrophobicContact CE1-CD2 4.09Å; F515-L665 HydrophobicContact CZ-CD2 4.37Å; F515-I671 HydrophobicContact CB-CG2 4.27Å; F515-I671 HydrophobicContact CD1-CD1 3.92Å; F515-I671 HydrophobicContact CE1-CD1 4.1Å; F515-L679 HydrophobicContact CE2-CD1 4.12Å
516L94.6Very high93Very high0 Ų024.1 Ų24.10%012%0.123CC..Hα-helixtrans-59.8-41.5-179.5-67.4171.3000112.3L493 V496 A497 M500 C512 F513 N518 V519 F520 L665L493-L516 HydrophobicContact CD2-CB 4.11Å; V496-L516 HydrophobicContact CB-CD1 4.05Å; V496-L516 HydrophobicContact CG1-CD1 3.67Å; V496-L516 HydrophobicContact CG1-CD2 4.49Å; A497-L516 HydrophobicContact CB-CD1 4.21Å; M500-L516 HydrophobicContact SD-CD1 4.1Å; M500-L516 HydrophobicContact SD-CD2 3.93Å; M500-L516 HydrophobicContact SD-CG 4.42Å; C512-L516 WeakPolarHBondContact O-CG 3.29Å; C512-L516 PolarHBondContact O-N 2.66Å; F513-L516 PolarHBondContact O-N 3.19Å; L516-N518 VanDerWaalsContact C-N 3.26Å; L516-N518 PolarHBondContact O-N 3.39Å; L516-V519 PolarHBondContact O-N 2.77Å; L516-F520 HydrophobicContact CB-CD2 4.43Å; L516-F520 HydrophobicContact CD2-CE2 4.1Å; L516-F520 VanDerWaalsContact O-CD2 3.23Å; L516-F520 WeakPolarHBondContact O-CD2 3.19Å; L516-F520 PolarHBondContact O-N 2.71Å; L516-L665 HydrophobicContact CD2-CD2 4.47Å
517R94.6Very high93.1Very high28 Ų2822 Ų2211%0.10612%0.115CC..Hα-helixtrans-59.2-38.4174.5-176-173.4-178.1-86.410.7111.8L493 F513 F515 S521 F526 L527 T531 D534L493-R517 HydrophobicContact CD1-CB 4.38Å; F513-R517 VanDerWaalsContact O-CB 3.3Å; F513-R517 WeakPolarHBondContact O-CB 3.29Å; F513-R517 PolarHBondContact O-N 2.94Å; F515-R517 VanDerWaalsContact C-N 3.33Å; F515-R517 PolarHBondContact O-N 2.86Å; R517-S521 WeakPolarHBondContact O-CB 3.37Å; R517-S521 PolarHBondContact O-N 3.39Å; R517-S521 VanDerWaalsContact O-N 3.15Å; R517-F526 HydrophobicContact CG-CD1 4.04Å; R517-F526 HydrophobicContact CG-CD2 3.98Å; R517-F526 HydrophobicContact CG-CE1 4.09Å; R517-F526 HydrophobicContact CG-CE2 4.02Å; R517-F526 HydrophobicContact CG-CG 3.98Å; R517-F526 HydrophobicContact CG-CZ 4.08Å; R517-L527 PolarHBondContact NH2-O 3.1Å; R517-T531 PolarHBondContact NH1-OG1 3.4Å; R517-D534 IonicContact CZ-OD2 3.6Å; R517-D534 VanDerWaalsContact CZ-OD2 3.29Å; R517-D534 IonicContact NE-OD2 3.74Å; R517-D534 PolarHBondContact NE-OD2 3.07Å; R517-D534 IonicContact NH2-OD2 3.86Å; R517-D534 PolarHBondContact NH2-OD2 3.21Å
518N93.1Very high93Very high70 Ų7019.4 Ų19.437%0.37411%0.109SC..Hα-helixtrans-72-38.9176.9-169.217.4000112S514 F515 L516 S521 R636 L637S514-N518 PolarHBondContact O-N 3.27Å; S514-N518 VanDerWaalsContact O-N 3.16Å; F515-N518 WeakPolarHBondContact O-CA 3.31Å; F515-N518 WeakPolarHBondContact O-CB 3.48Å; F515-N518 PolarHBondContact O-N 3.19Å; L516-N518 VanDerWaalsContact C-N 3.26Å; L516-N518 PolarHBondContact O-N 3.39Å; N518-S521 PolarHBondContact O-OG 3.12Å; N518-R636 PolarHBondContact O-NH2 2.73Å; N518-R636 PolarHBondContact OD1-NE 2.85Å; N518-L637 VanDerWaalsContact ND2-CD2 3.33Å; N518-L637 WeakPolarHBondContact ND2-CD2 3.27Å
519V94Very high92.8Very high0 Ų022.5 Ų22.50%014%0.144CC..Hα-helixtrans-60.5-47.6174.2177.30000110.5F515 L516 S521 Y579 A633 L637 L661F515-V519 HydrophobicContact CD1-CG2 4.43Å; F515-V519 HydrophobicContact CD2-CG2 4.24Å; F515-V519 HydrophobicContact CE1-CG2 4.01Å; F515-V519 HydrophobicContact CE2-CG2 3.8Å; F515-V519 HydrophobicContact CZ-CG2 3.68Å; F515-V519 WeakPolarHBondContact O-CG2 3.39Å; F515-V519 PolarHBondContact O-N 2.77Å; L516-V519 PolarHBondContact O-N 2.77Å; V519-S521 PolarHBondContact O-N 3.45Å; V519-Y579 HydrophobicContact CG1-CD1 3.48Å; V519-Y579 VanDerWaalsContact CG1-CD1 3.48Å; V519-Y579 HydrophobicContact CG1-CE1 3.64Å; V519-Y579 HydrophobicContact CG1-CG 4.45Å; V519-A633 VanDerWaalsContact O-CB 3.32Å; V519-A633 WeakPolarHBondContact O-CB 3.33Å; V519-L637 HydrophobicContact CG2-CD1 3.95Å; V519-L661 HydrophobicContact CG2-CD1 4.38Å
520F94.9Very high92.8Very high1 Ų124.3 Ų24.30%0.00415%0.153CC..THydrogen-bonded Turntrans-94.618-174.1-58.5-53.4000114.7L493 L516 D522 E523 F524 F575 V576 Y579L493-F520 HydrophobicContact CD2-CD2 3.9Å; L493-F520 HydrophobicContact CD2-CE2 4.3Å; L516-F520 HydrophobicContact CB-CD2 4.43Å; L516-F520 HydrophobicContact CD2-CE2 4.1Å; L516-F520 VanDerWaalsContact O-CD2 3.23Å; L516-F520 WeakPolarHBondContact O-CD2 3.19Å; L516-F520 PolarHBondContact O-N 2.71Å; F520-D522 PolarHBondContact O-N 3.46Å; F520-E523 HydrophobicContact CB-CB 4.2Å; F520-E523 HydrophobicContact CB-CG 4.3Å; F520-E523 HydrophobicContact CD1-CG 3.99Å; F520-E523 WeakPolarHBondContact O-CB 3.21Å; F520-E523 PolarHBondContact O-N 3.41Å; F520-F524 HydrophobicContact CB-CD2 3.92Å; F520-F524 HydrophobicContact CB-CE2 4.19Å; F520-F524 PolarHBondContact O-N 2.96Å; F520-F524 VanDerWaalsContact O-N 3.14Å; F520-F575 HydrophobicContact CD1-CB 4.48Å; F520-F575 HydrophobicContact CE1-CB 3.86Å; F520-F575 HydrophobicContact CZ-CB 4.11Å; F520-V576 HydrophobicContact CE2-CG2 4.19Å; F520-V576 HydrophobicContact CZ-CG2 3.84Å; F520-Y579 HydrophobicContact CD1-CE1 4.27Å; F520-Y579 HydrophobicContact CD1-CE2 4.21Å; F520-Y579 HydrophobicContact CE1-CD1 4.24Å; F520-Y579 AromaticContact CE1-CD2 3.96Å; F520-Y579 HydrophobicContact CE1-CD2 3.96Å; F520-Y579 HydrophobicContact CE1-CE1 4.29Å; F520-Y579 HydrophobicContact CE1-CE2 4.02Å; F520-Y579 HydrophobicContact CE1-CG 4.09Å
521S92.7Very high92.9Very high30 Ų3023.3 Ų23.321%0.2115%0.152CC..THydrogen-bonded Turntrans-68.2-17.3-177.573.20000113.9R517 N518 V519 R636R517-S521 WeakPolarHBondContact O-CB 3.37Å; R517-S521 PolarHBondContact O-N 3.39Å; R517-S521 VanDerWaalsContact O-N 3.15Å; N518-S521 PolarHBondContact O-OG 3.12Å; V519-S521 PolarHBondContact O-N 3.45Å; S521-R636 PolarHBondContact OG-NE 3.16Å; S521-R636 PolarHBondContact OG-NH2 3.16Å
522D92.8Very high93Very high28 Ų2826.5 Ų26.515%0.1517%0.167CC..THydrogen-bonded Turntrans-91.4-11.8171.8-54.4-68.6000113.2I253 F520 N629 A633 R636I253-D522 HydrophobicContact CD1-CB 3.82Å; I253-D522 VanDerWaalsContact CD1-OD1 3.27Å; I253-D522 WeakPolarHBondContact CD1-OD1 3.4Å; F520-D522 PolarHBondContact O-N 3.46Å; D522-N629 HydrophobicContact CB-CB 4.14Å; D522-N629 PolarHBondContact O-ND2 3.11Å; D522-N629 VanDerWaalsContact O-ND2 3.16Å; D522-A633 PolarHBondContact OD2-N 2.92Å; D522-R636 IonicContact OD1-NH1 3.25Å; D522-R636 PolarHBondContact OD1-NH1 3.24Å; D522-R636 IonicContact OD2-CZ 2.67Å; D522-R636 VanDerWaalsContact OD2-CZ 3.24Å; D522-R636 IonicContact OD2-NH1 3.78Å; D522-R636 PolarHBondContact OD2-NH1 3.03Å; D522-R636 IonicContact OD2-NH2 3.45Å; D522-R636 PolarHBondContact OD2-NH2 3.03Å
523E93.8Very high93Very high4 Ų434.3 Ų34.32%0.01920%0.196CC..THydrogen-bonded Turntrans-90-36178.8-60.3-65.2178.300112.6K250 F520 Y579 N629K250-E523 IonicContact NZ-OE2 3.85Å; K250-E523 PolarHBondContact NZ-OE2 2.82Å; F520-E523 HydrophobicContact CB-CB 4.2Å; F520-E523 HydrophobicContact CB-CG 4.3Å; F520-E523 HydrophobicContact CD1-CG 3.99Å; F520-E523 WeakPolarHBondContact O-CB 3.21Å; F520-E523 PolarHBondContact O-N 3.41Å; E523-Y579 HydrophobicContact CG-CE2 4.28Å; E523-Y579 VanDerWaalsContact CG-OH 3.24Å; E523-Y579 WeakPolarHBondContact CG-OH 3.42Å; E523-Y579 VanDerWaalsContact OE1-CE2 3.26Å; E523-Y579 WeakPolarHBondContact OE1-CE2 3.39Å; E523-Y579 PolarHBondContact OE1-OH 3.11Å; E523-N629 HydrophobicContact CG-CB 4.44Å; E523-N629 WeakPolarHBondContact OE1-CB 3.19Å; E523-N629 PolarHBondContact OE2-ND2 3.38Å
524F94.6Very high93Very high2 Ų234.7 Ų34.71%0.00920%0.198CC..SBendtrans-134.2155.1-173.2-53.5-71.5000112.1L485 V489 F520 F526 F572 F575L485-F524 HydrophobicContact CB-CE1 3.99Å; L485-F524 HydrophobicContact CD1-CE1 3.93Å; L485-F524 HydrophobicContact CD1-CZ 4.21Å; V489-F524 HydrophobicContact CG1-CB 3.99Å; V489-F524 HydrophobicContact CG1-CD2 4.19Å; V489-F524 HydrophobicContact CG1-CG 3.99Å; V489-F524 HydrophobicContact CG2-CB 4.1Å; V489-F524 HydrophobicContact CG2-CD1 3.58Å; V489-F524 HydrophobicContact CG2-CE1 4.15Å; V489-F524 HydrophobicContact CG2-CG 3.83Å; F520-F524 HydrophobicContact CB-CD2 3.92Å; F520-F524 HydrophobicContact CB-CE2 4.19Å; F520-F524 PolarHBondContact O-N 2.96Å; F520-F524 VanDerWaalsContact O-N 3.14Å; F524-F526 HydrophobicContact CB-CD2 4.48Å; F524-F526 HydrophobicContact CB-CE2 3.77Å; F524-F526 HydrophobicContact CB-CZ 4Å; F524-F526 WeakPolarHBondContact O-CD2 3.23Å; F524-F526 PolarHBondContact O-N 2.88Å; F524-F572 HydrophobicContact CD2-CE1 4.14Å; F524-F572 HydrophobicContact CE1-CE1 4.23Å; F524-F572 HydrophobicContact CE1-CZ 4.19Å; F524-F572 HydrophobicContact CE2-CD1 4.16Å; F524-F572 AromaticContact CE2-CE1 3.39Å; F524-F572 HydrophobicContact CE2-CE1 3.39Å; F524-F572 HydrophobicContact CE2-CZ 4.15Å; F524-F572 HydrophobicContact CZ-CD1 4.28Å; F524-F572 AromaticContact CZ-CE1 3.43Å; F524-F572 HydrophobicContact CZ-CE1 3.43Å; F524-F572 VanDerWaalsContact CZ-CE1 3.43Å; F524-F572 AromaticContact CZ-CZ 3.8Å; F524-F572 HydrophobicContact CZ-CZ 3.8Å; F524-F575 HydrophobicContact CE1-CZ 4.49Å; F524-F575 HydrophobicContact CZ-CD1 4.25Å; F524-F575 HydrophobicContact CZ-CD2 4.26Å; F524-F575 HydrophobicContact CZ-CE1 4.03Å; F524-F575 HydrophobicContact CZ-CE2 4.05Å; F524-F575 HydrophobicContact CZ-CG 4.37Å; F524-F575 AromaticContact CZ-CZ 3.94Å; F524-F575 HydrophobicContact CZ-CZ 3.94Å
525I93.8Very high93Very high2 Ų233.1 Ų33.11%0.0119%0.187CC..  trans-85.5116.7-177.3-53.8-52.2000110.4T251 Y370 Q373 L374 I377 R490T251-I525 HydrophobicContact CG2-CD1 4.21Å; T251-I525 HydrophobicContact CG2-CG1 3.72Å; Y370-I525 HydrophobicContact CD1-CG2 3.69Å; Y370-I525 HydrophobicContact CE1-CG2 4.29Å; Q373-I525 HydrophobicContact CB-CG2 4.26Å; L374-I525 HydrophobicContact CD2-CB 4.45Å; L374-I525 HydrophobicContact CD2-CG2 4Å; L374-I525 HydrophobicContact CG-CG2 4.11Å; I377-I525 HydrophobicContact CD1-CB 4.03Å; I377-I525 HydrophobicContact CD1-CG1 4.06Å; R490-I525 PolarHBondContact NH1-O 3.17Å; R490-I525 PolarHBondContact NH2-O 3.49Å
526F93.1Very high93.1Very high10 Ų1036.8 Ų36.84%0.04420%0.204CC..  trans-126.6137.6172.5-57.5-77.8000110.5Y370 V489 L493 R517 F524Y370-F526 WeakPolarHBondContact CD1-O 3.24Å; Y370-F526 WeakPolarHBondContact CE1-O 3.49Å; V489-F526 HydrophobicContact CG1-CE1 3.6Å; V489-F526 HydrophobicContact CG1-CE2 4.48Å; V489-F526 HydrophobicContact CG1-CZ 3.37Å; L493-F526 HydrophobicContact CD1-CE1 4.15Å; L493-F526 HydrophobicContact CD1-CZ 3.66Å; R517-F526 HydrophobicContact CG-CD1 4.04Å; R517-F526 HydrophobicContact CG-CD2 3.98Å; R517-F526 HydrophobicContact CG-CE1 4.09Å; R517-F526 HydrophobicContact CG-CE2 4.02Å; R517-F526 HydrophobicContact CG-CG 3.98Å; R517-F526 HydrophobicContact CG-CZ 4.08Å; F524-F526 HydrophobicContact CB-CD2 4.48Å; F524-F526 HydrophobicContact CB-CE2 3.77Å; F524-F526 HydrophobicContact CB-CZ 4Å; F524-F526 WeakPolarHBondContact O-CD2 3.23Å; F524-F526 PolarHBondContact O-N 2.88Å
527L91.2Very high93Very high21 Ų2139.9 Ų39.911%0.1122%0.219CC..  trans-69.7130175.5-164.770.8000109.6E367 L374 R517 G529 N530E367-L527 HydrophobicContact CG-CD1 4Å; E367-L527 HydrophobicContact CG-CD2 4.4Å; L374-L527 HydrophobicContact CD1-CB 4.26Å; R517-L527 PolarHBondContact NH2-O 3.1Å; L527-G529 PolarHBondContact O-N 2.83Å; L527-N530 HydrophobicContact CB-CB 4.08Å; L527-N530 WeakPolarHBondContact CD2-ND2 3.04Å; L527-N530 PolarHBondContact O-N 2.73Å
528P87.3Confident93.1Very high73 Ų7338.6 Ų38.647%0.47421%0.214SC..THydrogen-bonded Turntrans-55.1137.3175.1-26.835.7000111.7T366 Y370 N530T366-P528 HydrophobicContact CG2-CG 4.22Å; Y370-P528 HydrophobicContact CD2-CG 4.33Å; Y370-P528 HydrophobicContact CE2-CG 4.39Å; P528-N530 VanDerWaalsContact C-N 3.28Å; P528-N530 PolarHBondContact O-N 3.12Å
529G86.1Confident93.1Very high78 Ų7835.6 Ų35.680%0.80420%0.199SC*.THydrogen-bonded Turntrans79.2-5.818000000116.4L527L527-G529 PolarHBondContact O-N 2.83Å
530N91.6Very high93.2Very high38 Ų3840.6 Ų40.620%0.20322%0.218CC..  trans-94.417.5-175.2-86.610.3000115.9L527 P528 L532 R533 D534L527-N530 HydrophobicContact CB-CB 4.08Å; L527-N530 WeakPolarHBondContact CD2-ND2 3.04Å; L527-N530 PolarHBondContact O-N 2.73Å; P528-N530 VanDerWaalsContact C-N 3.28Å; P528-N530 PolarHBondContact O-N 3.12Å; N530-L532 VanDerWaalsContact C-N 3.32Å; N530-L532 PolarHBondContact O-N 3.37Å; N530-L532 VanDerWaalsContact O-N 3.17Å; N530-R533 HydrophobicContact CB-CB 4.41Å; N530-R533 WeakPolarHBondContact O-CA 3.46Å; N530-R533 WeakPolarHBondContact O-CB 3.29Å; N530-R533 PolarHBondContact O-N 3.17Å; N530-D534 PolarHBondContact O-N 3.24Å
531T94.1Very high93.1Very high37 Ų3740.8 Ų40.823%0.22722%0.219CC..Hα-helixtrans-51.9-44.6-173.3-53.60000114.2F510 F513 S514 R517 D534 F535F510-T531 HydrophobicContact CE2-CG2 4.13Å; F510-T531 HydrophobicContact CZ-CG2 4.23Å; F513-T531 HydrophobicContact CE1-CG2 4.47Å; S514-T531 WeakPolarHBondContact OG-CG2 3.33Å; R517-T531 PolarHBondContact NH1-OG1 3.4Å; T531-D534 PolarHBondContact O-N 2.7Å; T531-F535 PolarHBondContact O-N 3.06Å; T531-F535 VanDerWaalsContact O-N 3.11Å
532L94.3Very high93.2Very high90 Ų9039.3 Ų39.347%0.47121%0.209SC..Hα-helixtrans-64.4-41.4177.9-17963.9000111.9F510 N530 F535 E536F510-L532 HydrophobicContact CD2-CD1 4.47Å; F510-L532 HydrophobicContact CE2-CB 4.4Å; F510-L532 HydrophobicContact CE2-CD1 3.98Å; F510-L532 HydrophobicContact CZ-CB 4.38Å; F510-L532 HydrophobicContact CZ-CD1 4.17Å; N530-L532 VanDerWaalsContact C-N 3.32Å; N530-L532 PolarHBondContact O-N 3.37Å; N530-L532 VanDerWaalsContact O-N 3.17Å; L532-F535 WeakPolarHBondContact O-CB 3.23Å; L532-F535 PolarHBondContact O-N 3.11Å; L532-E536 HydrophobicContact CD1-CG 4.41Å; L532-E536 WeakPolarHBondContact O-CG 3.44Å; L532-E536 PolarHBondContact O-N 2.85Å
533R93.1Very high93.2Very high165 Ų16540.2 Ų40.262%0.62322%0.217SC*.Hα-helixtrans-66.6-42.1178.7-65.8-177.5178.1176.8-0.8111.9N530 F535 E536 E537N530-R533 HydrophobicContact CB-CB 4.41Å; N530-R533 WeakPolarHBondContact O-CA 3.46Å; N530-R533 WeakPolarHBondContact O-CB 3.29Å; N530-R533 PolarHBondContact O-N 3.17Å; R533-F535 VanDerWaalsContact C-N 3.26Å; R533-F535 PolarHBondContact O-N 3.2Å; R533-E536 PolarHBondContact O-N 3.28Å; R533-E537 WeakPolarHBondContact O-CB 3.47Å; R533-E537 PolarHBondContact O-N 2.9Å
534D94.8Very high93.1Very high8 Ų844.3 Ų44.34%0.04323%0.234CC..Hα-helixtrans-60.9-38.1175.7-71.2-50.3000111R490 F513 R517 N530 T531 G538R490-D534 HydrophobicContact CG-CB 4.32Å; R490-D534 IonicContact CZ-OD1 2.83Å; R490-D534 IonicContact NE-OD1 3.06Å; R490-D534 PolarHBondContact NE-OD1 3.35Å; R490-D534 IonicContact NH2-OD1 2.86Å; R490-D534 PolarHBondContact NH2-OD1 3.16Å; F513-D534 HydrophobicContact CE1-CB 4.15Å; F513-D534 HydrophobicContact CZ-CB 3.91Å; R517-D534 IonicContact CZ-OD2 3.6Å; R517-D534 VanDerWaalsContact CZ-OD2 3.29Å; R517-D534 IonicContact NE-OD2 3.74Å; R517-D534 PolarHBondContact NE-OD2 3.07Å; R517-D534 IonicContact NH2-OD2 3.86Å; R517-D534 PolarHBondContact NH2-OD2 3.21Å; N530-D534 PolarHBondContact O-N 3.24Å; T531-D534 PolarHBondContact O-N 2.7Å; D534-G538 PolarHBondContact O-N 3.46Å; D534-G538 VanDerWaalsContact O-N 3.11Å
535F95.8Very high92.9Very high2 Ų245.6 Ų45.61%0.00924%0.242CC..Hα-helixtrans-67.5-47.6175.9177.8-110.7000112.1V494 K506 V509 F510 F513 T531 L532 R533 E537 G538 C539 I555V494-F535 HydrophobicContact CG1-CE2 4.47Å; V494-F535 HydrophobicContact CG2-CD2 3.87Å; V494-F535 HydrophobicContact CG2-CE2 4.07Å; K506-F535 HydrophobicContact CG-CE1 3.97Å; K506-F535 HydrophobicContact CG-CZ 4.23Å; V509-F535 HydrophobicContact CG1-CE2 3.98Å; V509-F535 HydrophobicContact CG1-CZ 4.32Å; F510-F535 HydrophobicContact CB-CD1 4.32Å; F510-F535 HydrophobicContact CB-CE1 4.01Å; F510-F535 HydrophobicContact CB-CE2 4.39Å; F510-F535 HydrophobicContact CB-CZ 4.04Å; F510-F535 HydrophobicContact CD2-CB 3.79Å; F510-F535 AromaticContact CD2-CD1 3.59Å; F510-F535 HydrophobicContact CD2-CD1 3.59Å; F510-F535 HydrophobicContact CD2-CD2 4.12Å; F510-F535 HydrophobicContact CD2-CE1 4.15Å; F510-F535 AromaticContact CD2-CG 3.56Å; F510-F535 HydrophobicContact CD2-CG 3.56Å; F510-F535 HydrophobicContact CE2-CB 3.97Å; F510-F535 HydrophobicContact CE2-CD1 4.39Å; F510-F535 HydrophobicContact CE2-CG 4.25Å; F510-F535 HydrophobicContact CG-CD1 4.35Å; F510-F535 HydrophobicContact CG-CE1 4.49Å; F513-F535 HydrophobicContact CB-CD2 3.86Å; F513-F535 HydrophobicContact CB-CE2 4.26Å; F513-F535 HydrophobicContact CD1-CB 3.77Å; F513-F535 AromaticContact CD1-CD2 3.92Å; F513-F535 HydrophobicContact CD1-CD2 3.92Å; F513-F535 HydrophobicContact CD1-CG 4.27Å; F513-F535 AromaticContact CD2-CD2 3.97Å; F513-F535 HydrophobicContact CD2-CD2 3.97Å; F513-F535 HydrophobicContact CE1-CB 3.68Å; F513-F535 HydrophobicContact CE1-CD2 4.48Å; F513-F535 HydrophobicContact CE2-CD2 4.5Å; F513-F535 HydrophobicContact CG-CB 4.34Å; F513-F535 AromaticContact CG-CD2 3.65Å; F513-F535 HydrophobicContact CG-CD2 3.65Å; F513-F535 HydrophobicContact CG-CE2 4.47Å; F513-F535 HydrophobicContact CG-CG 4.44Å; F513-F535 HydrophobicContact CZ-CB 4.16Å; T531-F535 PolarHBondContact O-N 3.06Å; T531-F535 VanDerWaalsContact O-N 3.11Å; L532-F535 WeakPolarHBondContact O-CB 3.23Å; L532-F535 PolarHBondContact O-N 3.11Å; R533-F535 VanDerWaalsContact C-N 3.26Å; R533-F535 PolarHBondContact O-N 3.2Å; F535-E537 VanDerWaalsContact C-N 3.33Å; F535-E537 PolarHBondContact O-N 3.22Å; F535-G538 PolarHBondContact O-N 3.06Å; F535-C539 PolarHBondContact O-N 3.15Å; F535-I555 HydrophobicContact CZ-CD1 4.4Å
536E94.6Very high92.8Very high85 Ų8550.7 Ų50.740%0.39727%0.266SS..Hα-helixtrans-62.5-39.2178.6-73177.4159.800112L532 R533 C539 Y540L532-E536 HydrophobicContact CD1-CG 4.41Å; L532-E536 WeakPolarHBondContact O-CG 3.44Å; L532-E536 PolarHBondContact O-N 2.85Å; R533-E536 PolarHBondContact O-N 3.28Å; E536-C539 PolarHBondContact O-N 3.48Å; E536-Y540 VanDerWaalsContact O-CB 3.25Å; E536-Y540 WeakPolarHBondContact O-CB 3.31Å; E536-Y540 PolarHBondContact O-N 3.3Å
537E93.8Very high92.7Very high66 Ų6650.2 Ų50.231%0.30826%0.264SS..Hα-helixtrans-61.3-47.1172.6-177177.1-164.100111.2K26 R490 R533 F535 C539 Y540 L541K26-E537 IonicContact NZ-OE1 3.24Å; K26-E537 PolarHBondContact NZ-OE1 3.4Å; R490-E537 IonicContact NE-OE2 2.73Å; R533-E537 WeakPolarHBondContact O-CB 3.47Å; R533-E537 PolarHBondContact O-N 2.9Å; F535-E537 VanDerWaalsContact C-N 3.33Å; F535-E537 PolarHBondContact O-N 3.22Å; E537-C539 PolarHBondContact O-N 2.81Å; E537-Y540 PolarHBondContact O-N 2.89Å; E537-L541 HydrophobicContact CG-CD1 4.28Å; E537-L541 HydrophobicContact CG-CG 4.48Å; E537-L541 WeakPolarHBondContact O-CG 3.24Å; E537-L541 PolarHBondContact O-N 3Å
538G95Very high92.8Very high0 Ų049.3 Ų49.30%026%0.26CS..Hα-helixtrans-58.6-46.2176.800000112.6D534 F535 L542D534-G538 PolarHBondContact O-N 3.46Å; D534-G538 VanDerWaalsContact O-N 3.11Å; F535-G538 PolarHBondContact O-N 3.06Å; G538-L542 WeakPolarHBondContact O-CG 3.24Å; G538-L542 PolarHBondContact O-N 2.85Å; G538-L542 VanDerWaalsContact O-N 3.17Å
539C94.8Very high92.9Very high8 Ų851.3 Ų51.35%0.05426%0.262CS..Hα-helixtrans-63.4-42.8175.3-71.70000112.3F535 E536 E537 L542 C543 I548F535-C539 PolarHBondContact O-N 3.15Å; E536-C539 PolarHBondContact O-N 3.48Å; E537-C539 PolarHBondContact O-N 2.81Å; C539-L542 PolarHBondContact O-N 3.38Å; C539-C543 PolarHBondContact O-N 2.91Å; C539-C543 PolarHBondContact O-SG 2.87Å; C539-I548 HydrophobicContact CB-CD1 4.37Å
540Y94.5Very high92.8Very high105 Ų10550.7 Ų50.741%0.41224%0.239SC..Hα-helixtrans-60.2-46.5178.8170.9-101.7000111.5E536 E537 L542 C543 K544E536-Y540 VanDerWaalsContact O-CB 3.25Å; E536-Y540 WeakPolarHBondContact O-CB 3.31Å; E536-Y540 PolarHBondContact O-N 3.3Å; E537-Y540 PolarHBondContact O-N 2.89Å; Y540-L542 VanDerWaalsContact C-N 3.33Å; Y540-L542 PolarHBondContact O-N 2.66Å; Y540-C543 PolarHBondContact O-N 3.4Å; Y540-K544 WeakPolarHBondContact O-CB 3.29Å; Y540-K544 PolarHBondContact O-N 2.86Å
541L94.4Very high92.3Very high4 Ų452.3 Ų52.32%0.02125%0.251CS..Hα-helixtrans-61.7-41.1177.9-70.4-179.9000112.1F418 P491 E537 K544 T545F418-L541 HydrophobicContact CB-CD1 4.41Å; F418-L541 HydrophobicContact CD1-CB 3.8Å; F418-L541 HydrophobicContact CD1-CD1 4.4Å; F418-L541 HydrophobicContact CD1-CD2 4.27Å; F418-L541 HydrophobicContact CD1-CG 4.37Å; F418-L541 HydrophobicContact CE1-CB 3.88Å; F418-L541 WeakPolarHBondContact CE1-O 3Å; F418-L541 HydrophobicContact CG-CD1 4.44Å; P491-L541 HydrophobicContact CG-CD1 4.29Å; E537-L541 HydrophobicContact CG-CD1 4.28Å; E537-L541 HydrophobicContact CG-CG 4.48Å; E537-L541 WeakPolarHBondContact O-CG 3.24Å; E537-L541 PolarHBondContact O-N 3Å; L541-K544 WeakPolarHBondContact O-CB 3.45Å; L541-K544 PolarHBondContact O-N 3.21Å; L541-T545 PolarHBondContact O-N 2.66Å; L541-T545 PolarHBondContact O-OG1 2.86Å
542L94.4Very high91.6Very high0 Ų053.9 Ų53.90%027%0.274CS..Hα-helixtrans-68.6-33.3175.5-68.8172.6000113.1F418 P491 V494 G538 C539 Y540 T545 A547 I548 V564 L565 L568F418-L542 HydrophobicContact CZ-CD2 4.37Å; P491-L542 HydrophobicContact CB-CD1 4.48Å; P491-L542 HydrophobicContact CB-CD2 3.99Å; P491-L542 HydrophobicContact CB-CG 3.94Å; V494-L542 HydrophobicContact CB-CD1 3.88Å; V494-L542 HydrophobicContact CG1-CD1 3.62Å; G538-L542 WeakPolarHBondContact O-CG 3.24Å; G538-L542 PolarHBondContact O-N 2.85Å; G538-L542 VanDerWaalsContact O-N 3.17Å; C539-L542 PolarHBondContact O-N 3.38Å; Y540-L542 VanDerWaalsContact C-N 3.33Å; Y540-L542 PolarHBondContact O-N 2.66Å; L542-T545 PolarHBondContact O-OG1 3.08Å; L542-A547 HydrophobicContact CB-CB 4.48Å; L542-A547 HydrophobicContact CD2-CB 4.19Å; L542-A547 WeakPolarHBondContact O-CB 3.3Å; L542-A547 PolarHBondContact O-N 3.39Å; L542-I548 HydrophobicContact CB-CD1 3.6Å; L542-I548 HydrophobicContact CB-CG1 3.66Å; L542-I548 HydrophobicContact CB-CG2 4.31Å; L542-I548 HydrophobicContact CD1-CD1 4.05Å; L542-I548 HydrophobicContact CD1-CG2 4.49Å; L542-I548 HydrophobicContact CG-CD1 4.49Å; L542-I548 PolarHBondContact O-N 3.19Å; L542-V564 HydrophobicContact CD2-CG1 4.38Å; L542-L565 HydrophobicContact CD1-CD2 4.49Å; L542-L565 HydrophobicContact CD2-CD2 4.36Å; L542-L568 HydrophobicContact CD2-CD1 3.48Å; L542-L568 VanDerWaalsContact CD2-CD1 3.48Å
543C93.1Very high90.9Very high46 Ų4657.6 Ų57.631%0.31129%0.287SS..Hα-helixtrans-68.2-41.4173-670000111C539 Y540 T545 E546C539-C543 PolarHBondContact O-N 2.91Å; C539-C543 PolarHBondContact O-SG 2.87Å; Y540-C543 PolarHBondContact O-N 3.4Å; C543-T545 PolarHBondContact O-N 2.69Å; C543-E546 PolarHBondContact O-N 2.85Å
544K91Very high90.6Very high90 Ų9051.4 Ų51.439%0.39127%0.27SS..Hα-helixtrans-60.2-31.9178.7-175.7-177.6175.1-168.20112.4A417 Y540 L541 E546A417-K544 PolarHBondContact O-NZ 3.49Å; Y540-K544 WeakPolarHBondContact O-CB 3.29Å; Y540-K544 PolarHBondContact O-N 2.86Å; L541-K544 WeakPolarHBondContact O-CB 3.45Å; L541-K544 PolarHBondContact O-N 3.21Å; K544-E546 VanDerWaalsContact C-N 3.29Å
545T91.3Very high90.3Very high29 Ų2951 Ų5118%0.17827%0.268CS..THydrogen-bonded Turntrans-90.610.7176.257.10000113.5L414 A417 F418 L541 L542 C543 A547L414-T545 HydrophobicContact CD1-CG2 3.78Å; A417-T545 HydrophobicContact CB-CG2 3.66Å; F418-T545 HydrophobicContact CD1-CG2 4.07Å; F418-T545 HydrophobicContact CE1-CG2 3.49Å; F418-T545 VanDerWaalsContact CE1-CG2 3.49Å; F418-T545 HydrophobicContact CZ-CG2 4.33Å; L541-T545 PolarHBondContact O-N 2.66Å; L541-T545 PolarHBondContact O-OG1 2.86Å; L542-T545 PolarHBondContact O-OG1 3.08Å; C543-T545 PolarHBondContact O-N 2.69Å; T545-A547 PolarHBondContact O-N 2.93Å; T545-A547 VanDerWaalsContact O-N 3.07Å
546E91.3Very high89.9Confident110 Ų11054.4 Ų54.451%0.51429%0.286SS..THydrogen-bonded Turntrans5717.1-174.8-52.7-179.4163.800113.6C543 K544 T558 K560C543-E546 PolarHBondContact O-N 2.85Å; K544-E546 VanDerWaalsContact C-N 3.29Å; E546-T558 WeakPolarHBondContact O-CB 3.15Å; E546-T558 WeakPolarHBondContact O-CG2 3.33Å; E546-T558 PolarHBondContact O-OG1 2.74Å; E546-K560 IonicContact OE2-NZ 2.85Å; E546-K560 PolarHBondContact OE2-NZ 2.87Å
547A90.5Very high89.6Confident0 Ų053.1 Ų53.10%028%0.281CS..SBendtrans-74.2-35-177.200000111.9L542 T545 T558 G561 V564L542-A547 HydrophobicContact CB-CB 4.48Å; L542-A547 HydrophobicContact CD2-CB 4.19Å; L542-A547 WeakPolarHBondContact O-CB 3.3Å; L542-A547 PolarHBondContact O-N 3.39Å; T545-A547 PolarHBondContact O-N 2.93Å; T545-A547 VanDerWaalsContact O-N 3.07Å; A547-T558 PolarHBondContact O-N 3.45Å; A547-T558 PolarHBondContact O-OG1 3.11Å; A547-G561 VanDerWaalsContact CA-CA 3.47Å; A547-G561 WeakPolarHBondContact O-CA 3.16Å; A547-V564 HydrophobicContact CB-CB 4.02Å; A547-V564 HydrophobicContact CB-CG1 3.99Å; A547-V564 HydrophobicContact CB-CG2 4.38Å
548I92.4Very high89.3Confident2 Ų251 Ų511%0.0127%0.273CS..EExtended strand (participates in β ladder)trans-130.5156.5174.971.9-179.9000110.8L498 C539 L542 M550 I555 I556L498-I548 HydrophobicContact CD1-CG2 4.21Å; C539-I548 HydrophobicContact CB-CD1 4.37Å; L542-I548 HydrophobicContact CB-CD1 3.6Å; L542-I548 HydrophobicContact CB-CG1 3.66Å; L542-I548 HydrophobicContact CB-CG2 4.31Å; L542-I548 HydrophobicContact CD1-CD1 4.05Å; L542-I548 HydrophobicContact CD1-CG2 4.49Å; L542-I548 HydrophobicContact CG-CD1 4.49Å; L542-I548 PolarHBondContact O-N 3.19Å; I548-M550 HydrophobicContact CD1-SD 4.33Å; I548-I555 HydrophobicContact CB-CG2 3.95Å; I548-I555 HydrophobicContact CD1-CG2 3.9Å; I548-I555 HydrophobicContact CG1-CG2 4.37Å; I548-I555 HydrophobicContact CG2-CG2 4.22Å; I548-I556 CarbonylContact C-O 3.16Å; I548-I556 VanDerWaalsContact CA-O 3.29Å; I548-I556 WeakPolarHBondContact CA-O 3.45Å
549Q89.5Confident88.7Confident114 Ų11458.2 Ų58.253%0.53331%0.311SS..EExtended strand (participates in β ladder)trans-121133168.5-69.4179.3-2.100109.6I556 T558Q549-I556 HydrophobicContact CB-CB 4.46Å; Q549-I556 PolarHBondContact N-O 3.35Å; Q549-I556 PolarHBondContact O-N 3.36Å; Q549-T558 HydrophobicContact CG-CG2 3.83Å
550M85.3Confident87.8Confident65 Ų6564.6 Ų64.632%0.3234%0.338SS..EExtended strand (participates in β ladder)trans-98.8108.8-179.3-68.2-67.4-69.400110.2K506 I548 I555K506-M550 HydrophobicContact CD-CE 3.62Å; K506-M550 HydrophobicContact CG-CE 4.01Å; I548-M550 HydrophobicContact CD1-SD 4.33Å; M550-I555 HydrophobicContact CE-CD1 4.28Å; M550-I555 HydrophobicContact CE-CG1 4.12Å; M550-I555 HydrophobicContact SD-CB 4.15Å; M550-I555 HydrophobicContact SD-CD1 3.86Å; M550-I555 HydrophobicContact SD-CG1 3.57Å; M550-I555 VanDerWaalsContact SD-CG1 3.57Å; M550-I555 HydrophobicContact SD-CG2 3.99Å
551T80.4Confident87.3Confident73 Ų7359.6 Ų59.645%0.44832%0.319SS..EExtended strand (participates in β ladder)trans-106.587.2174.347.70000109.6K553 A554 I556T551-K553 PolarHBondContact O-N 3.03Å; T551-A554 PolarHBondContact N-O 2.66Å; T551-A554 PolarHBondContact O-N 3.16Å; T551-A554 PolarHBondContact OG1-O 3.01Å; T551-I556 HydrophobicContact CG2-CD1 3.89Å
552G78.6Confident87Confident69 Ų6963.2 Ų63.271%0.71134%0.338SS*.THydrogen-bonded Turntrans54.5-89176.700000114.1
553K80.7Confident86.9Confident169 Ų16965.8 Ų65.874%0.73536%0.359SS*.THydrogen-bonded Turntrans-97.7-10.9-179-64.3-171177.2-172.70114.9K506 T551K506-K553 WeakPolarHBondContact CB-O 3.37Å; K506-K553 PolarHBondContact N-O 2.81Å; T551-K553 PolarHBondContact O-N 3.03Å
554A85.7Confident86.9Confident34 Ų3464.1 Ų64.128%0.28135%0.347SS..EExtended strand (participates in β ladder)trans-119.5151.5-176.300000112.5L504 T551L504-A554 CarbonylContact O-C 3.49Å; L504-A554 VanDerWaalsContact O-CA 3.28Å; L504-A554 WeakPolarHBondContact O-CA 3.34Å; T551-A554 PolarHBondContact N-O 2.66Å; T551-A554 PolarHBondContact O-N 3.16Å; T551-A554 PolarHBondContact OG1-O 3.01Å
555I88.2Confident87.1Confident0 Ų060.2 Ų60.20%033%0.331CS..EExtended strand (participates in β ladder)trans-110.6117175.6-48.2-166.9000107.9L498 L504 K506 V509 F535 I548 M550L498-I555 HydrophobicContact CD1-CG2 4.39Å; L498-I555 HydrophobicContact CD2-CB 4.11Å; L498-I555 HydrophobicContact CD2-CD1 4.25Å; L498-I555 HydrophobicContact CD2-CG2 3.99Å; L504-I555 WeakPolarHBondContact CB-O 3.45Å; L504-I555 WeakPolarHBondContact CD2-O 3.29Å; L504-I555 PolarHBondContact O-N 3.41Å; K506-I555 HydrophobicContact CB-CG1 4.44Å; V509-I555 HydrophobicContact CB-CD1 4.29Å; V509-I555 HydrophobicContact CG1-CD1 4.25Å; V509-I555 HydrophobicContact CG2-CD1 4.32Å; F535-I555 HydrophobicContact CZ-CD1 4.4Å; I548-I555 HydrophobicContact CB-CG2 3.95Å; I548-I555 HydrophobicContact CD1-CG2 3.9Å; I548-I555 HydrophobicContact CG1-CG2 4.37Å; I548-I555 HydrophobicContact CG2-CG2 4.22Å; M550-I555 HydrophobicContact CE-CD1 4.28Å; M550-I555 HydrophobicContact CE-CG1 4.12Å; M550-I555 HydrophobicContact SD-CB 4.15Å; M550-I555 HydrophobicContact SD-CD1 3.86Å; M550-I555 HydrophobicContact SD-CG1 3.57Å; M550-I555 VanDerWaalsContact SD-CG1 3.57Å; M550-I555 HydrophobicContact SD-CG2 3.99Å
556I87.5Confident87.2Confident74 Ų7465.6 Ų65.638%0.37935%0.354SS..EExtended strand (participates in β ladder)trans-102.8129.3-179.9-58.7173.5000108.6I548 Q549 T551I548-I556 CarbonylContact C-O 3.16Å; I548-I556 VanDerWaalsContact CA-O 3.29Å; I548-I556 WeakPolarHBondContact CA-O 3.45Å; Q549-I556 HydrophobicContact CB-CB 4.46Å; Q549-I556 PolarHBondContact N-O 3.35Å; Q549-I556 PolarHBondContact O-N 3.36Å; T551-I556 HydrophobicContact CG2-CD1 3.89Å
557I88.8Confident87.4Confident57 Ų5761 Ų6129%0.29233%0.332SS..EExtended strand (participates in β ladder)trans-84.7130.2175.3-58.6171.4000108.3L504 N562 L565L504-I557 HydrophobicContact CD2-CD1 4.32Å; I557-N562 WeakPolarHBondContact CG2-OD1 3.41Å; I557-L565 HydrophobicContact CB-CD1 4.28Å; I557-L565 HydrophobicContact CD1-CD1 3.78Å; I557-L565 HydrophobicContact CG1-CD1 3.8Å; I557-L565 HydrophobicContact CG2-CD1 3.52Å
558T88.1Confident87.6Confident23 Ų2361 Ų6114%0.14133%0.332CS..PPolyproline II helixtrans-87.1162.9176.975.20000110.9E546 A547 Q549 K560 G561 N562E546-T558 WeakPolarHBondContact O-CB 3.15Å; E546-T558 WeakPolarHBondContact O-CG2 3.33Å; E546-T558 PolarHBondContact O-OG1 2.74Å; A547-T558 PolarHBondContact O-N 3.45Å; A547-T558 PolarHBondContact O-OG1 3.11Å; Q549-T558 HydrophobicContact CG-CG2 3.83Å; T558-K560 VanDerWaalsContact C-N 3.31Å; T558-K560 PolarHBondContact O-N 3.41Å; T558-G561 WeakPolarHBondContact O-CA 3.31Å; T558-G561 PolarHBondContact O-N 2.89Å; T558-G561 PolarHBondContact OG1-N 3.39Å; T558-N562 PolarHBondContact O-N 3.17Å
559N81.6Confident87.7Confident151 Ų15162.7 Ų62.781%0.80734%0.341SS*.THydrogen-bonded Turntrans-59.9-39177.1-68.2-13.5000112.8G561N559-G561 VanDerWaalsContact C-N 3.28Å
560K76.3Confident87.9Confident142 Ų14258.4 Ų58.462%0.61733%0.327SS*.THydrogen-bonded Turntrans-68.9-29.9173.1-66-176.1-172.6170.50112E546 T558 N562E546-K560 IonicContact OE2-NZ 2.85Å; E546-K560 PolarHBondContact OE2-NZ 2.87Å; T558-K560 VanDerWaalsContact C-N 3.31Å; T558-K560 PolarHBondContact O-N 3.41Å; K560-N562 VanDerWaalsContact C-N 3.28Å; K560-N562 PolarHBondContact O-N 2.86Å
561G83.9Confident88.4Confident0 Ų055.3 Ų55.30%031%0.312CS..Hα-helixtrans-64.3-28.1179.800000114.4A547 T558 N559 A563 V564 L565A547-G561 VanDerWaalsContact CA-CA 3.47Å; A547-G561 WeakPolarHBondContact O-CA 3.16Å; T558-G561 WeakPolarHBondContact O-CA 3.31Å; T558-G561 PolarHBondContact O-N 2.89Å; T558-G561 PolarHBondContact OG1-N 3.39Å; N559-G561 VanDerWaalsContact C-N 3.28Å; G561-A563 PolarHBondContact O-N 3.42Å; G561-V564 PolarHBondContact O-N 2.97Å; G561-L565 WeakPolarHBondContact O-CB 3.47Å; G561-L565 VanDerWaalsContact O-CG 3.26Å; G561-L565 WeakPolarHBondContact O-CG 3.36Å; G561-L565 PolarHBondContact O-N 3.42Å
562N88.6Confident89Confident80 Ų8051.9 Ų51.943%0.42829%0.291SS..Hα-helixtrans-56.7-48.9179.1-73.3-28000112I557 T558 K560 V564 L565 E566I557-N562 WeakPolarHBondContact CG2-OD1 3.41Å; T558-N562 PolarHBondContact O-N 3.17Å; K560-N562 VanDerWaalsContact C-N 3.28Å; K560-N562 PolarHBondContact O-N 2.86Å; N562-V564 PolarHBondContact O-N 2.92Å; N562-L565 PolarHBondContact O-N 3.21Å; N562-E566 WeakPolarHBondContact O-CB 3.49Å; N562-E566 VanDerWaalsContact O-CG 3.3Å; N562-E566 WeakPolarHBondContact O-CG 3.43Å; N562-E566 PolarHBondContact O-N 3.02Å
563A91.5Very high89.7Confident54 Ų5453.8 Ų53.845%0.44628%0.28SS..Hα-helixtrans-63.8-39.8179.200000112.6G561 F567G561-A563 PolarHBondContact O-N 3.42Å; A563-F567 WeakPolarHBondContact O-CB 3.29Å; A563-F567 PolarHBondContact O-N 3.39Å
564V94.3Very high90.3Very high10 Ų1046.7 Ų46.76%0.06125%0.251CS..Hα-helixtrans-64.3-49.7176.1177.40000110.1W410 L414 L542 A547 G561 N562 F567 L568W410-V564 HydrophobicContact CZ2-CG2 3.87Å; L414-V564 HydrophobicContact CD1-CG1 4.11Å; L414-V564 HydrophobicContact CD2-CG1 4.3Å; L542-V564 HydrophobicContact CD2-CG1 4.38Å; A547-V564 HydrophobicContact CB-CB 4.02Å; A547-V564 HydrophobicContact CB-CG1 3.99Å; A547-V564 HydrophobicContact CB-CG2 4.38Å; G561-V564 PolarHBondContact O-N 2.97Å; N562-V564 PolarHBondContact O-N 2.92Å; V564-F567 PolarHBondContact O-N 3.14Å; V564-L568 HydrophobicContact CG1-CD1 3.82Å; V564-L568 HydrophobicContact CG1-CG 4.26Å; V564-L568 WeakPolarHBondContact O-CB 3.38Å; V564-L568 WeakPolarHBondContact O-CG 3.31Å; V564-L568 PolarHBondContact O-N 3.47Å
565L94.1Very high90.7Very high9 Ų945.2 Ų45.25%0.04724%0.238CC..Hα-helixtrans-64-43-179.4-68.3175.6000111.7A495 L498 L542 I557 G561 N562 F567 L568 I569A495-L565 HydrophobicContact CB-CD2 3.49Å; A495-L565 VanDerWaalsContact CB-CD2 3.49Å; L498-L565 HydrophobicContact CD1-CD2 4.31Å; L542-L565 HydrophobicContact CD1-CD2 4.49Å; L542-L565 HydrophobicContact CD2-CD2 4.36Å; I557-L565 HydrophobicContact CB-CD1 4.28Å; I557-L565 HydrophobicContact CD1-CD1 3.78Å; I557-L565 HydrophobicContact CG1-CD1 3.8Å; I557-L565 HydrophobicContact CG2-CD1 3.52Å; G561-L565 WeakPolarHBondContact O-CB 3.47Å; G561-L565 VanDerWaalsContact O-CG 3.26Å; G561-L565 WeakPolarHBondContact O-CG 3.36Å; G561-L565 PolarHBondContact O-N 3.42Å; N562-L565 PolarHBondContact O-N 3.21Å; L565-F567 VanDerWaalsContact C-N 3.34Å; L565-F567 PolarHBondContact O-N 3.36Å; L565-L568 PolarHBondContact O-N 3.3Å; L565-I569 HydrophobicContact CB-CD1 4.48Å; L565-I569 WeakPolarHBondContact O-CB 3.41Å; L565-I569 WeakPolarHBondContact O-CD1 3.27Å; L565-I569 WeakPolarHBondContact O-CG1 3.3Å; L565-I569 PolarHBondContact O-N 2.94Å
566E93.9Very high90.9Very high141 Ų14146 Ų4666%0.65924%0.242SC*.Hα-helixtrans-57.8-45.9175-78.5-178.7174.300111.7N562 G570N562-E566 WeakPolarHBondContact O-CB 3.49Å; N562-E566 VanDerWaalsContact O-CG 3.3Å; N562-E566 WeakPolarHBondContact O-CG 3.43Å; N562-E566 PolarHBondContact O-N 3.02Å; E566-G570 PolarHBondContact O-N 3.38Å
567F94.8Very high91.2Very high13 Ų1345 Ų456%0.05724%0.236CC..Hα-helixtrans-60.8-46.5174.9175.2-95.3000111.9Q394 W410 L411 L414 F488 A563 V564 L565 G570 L571Q394-F567 PolarHBondContact NE2-O 3.44Å; W410-F567 HydrophobicContact CH2-CB 3.64Å; W410-F567 HydrophobicContact CH2-CD1 4.25Å; W410-F567 HydrophobicContact CH2-CD2 4.41Å; W410-F567 AromaticContact CH2-CG 3.84Å; W410-F567 HydrophobicContact CH2-CG 3.84Å; W410-F567 HydrophobicContact CZ3-CB 4Å; W410-F567 HydrophobicContact CZ3-CD1 4.22Å; W410-F567 AromaticContact CZ3-CD2 3.89Å; W410-F567 HydrophobicContact CZ3-CD2 3.89Å; W410-F567 AromaticContact CZ3-CG 3.75Å; W410-F567 HydrophobicContact CZ3-CG 3.75Å; L411-F567 HydrophobicContact CD1-CD1 4.31Å; L411-F567 HydrophobicContact CD1-CE1 3.42Å; L411-F567 VanDerWaalsContact CD1-CE1 3.42Å; L411-F567 HydrophobicContact CD1-CE2 4.09Å; L411-F567 HydrophobicContact CD1-CZ 3.3Å; L411-F567 HydrophobicContact CD2-CE2 4.03Å; L411-F567 HydrophobicContact CD2-CZ 3.67Å; L411-F567 HydrophobicContact CG-CZ 4.12Å; L414-F567 HydrophobicContact CD2-CD1 4.09Å; L414-F567 HydrophobicContact CD2-CE1 4.42Å; F488-F567 HydrophobicContact CD1-CE1 4.46Å; F488-F567 HydrophobicContact CE1-CE1 4.11Å; A563-F567 WeakPolarHBondContact O-CB 3.29Å; A563-F567 PolarHBondContact O-N 3.39Å; V564-F567 PolarHBondContact O-N 3.14Å; L565-F567 VanDerWaalsContact C-N 3.34Å; L565-F567 PolarHBondContact O-N 3.36Å; F567-G570 PolarHBondContact O-N 3.24Å; F567-L571 HydrophobicContact CE1-CD2 4.23Å; F567-L571 WeakPolarHBondContact O-CB 3.49Å; F567-L571 PolarHBondContact O-N 2.93Å
568L95.6Very high91.5Very high0 Ų042.3 Ų42.30%022%0.222CC..Hα-helixtrans-65.9-40.2-178.2-69.2176.6000112.9F418 F488 P491 S492 A495 L542 V564 L565 L571 F572F418-L568 HydrophobicContact CE2-CD2 4.02Å; F488-L568 HydrophobicContact CD1-CD2 3.45Å; F488-L568 VanDerWaalsContact CD1-CD2 3.45Å; F488-L568 HydrophobicContact CE1-CD2 4.1Å; F488-L568 HydrophobicContact CG-CD2 4.48Å; P491-L568 HydrophobicContact CB-CD1 4.24Å; S492-L568 WeakPolarHBondContact OG-CD2 3.44Å; S492-L568 PolarHBondContact OG-O 2.94Å; A495-L568 HydrophobicContact CB-CB 3.75Å; A495-L568 HydrophobicContact CB-CD1 4.07Å; L542-L568 HydrophobicContact CD2-CD1 3.48Å; L542-L568 VanDerWaalsContact CD2-CD1 3.48Å; V564-L568 HydrophobicContact CG1-CD1 3.82Å; V564-L568 HydrophobicContact CG1-CG 4.26Å; V564-L568 WeakPolarHBondContact O-CB 3.38Å; V564-L568 WeakPolarHBondContact O-CG 3.31Å; V564-L568 PolarHBondContact O-N 3.47Å; L565-L568 PolarHBondContact O-N 3.3Å; L568-L571 PolarHBondContact O-N 3.39Å; L568-F572 PolarHBondContact O-N 3.25Å
569I94.9Very high91.9Very high39 Ų3941.2 Ų41.220%0.222%0.216CC..Hα-helixtrans-64.9-48.2173.4-67.9160.6000108.8A495 V496 H499 L565 L571 F572 K573A495-I569 HydrophobicContact CB-CG1 4.1Å; V496-I569 HydrophobicContact CG2-CG1 4.36Å; H499-I569 HydrophobicContact CB-CD1 3.7Å; H499-I569 HydrophobicContact CB-CG1 4.37Å; L565-I569 HydrophobicContact CB-CD1 4.48Å; L565-I569 WeakPolarHBondContact O-CB 3.41Å; L565-I569 WeakPolarHBondContact O-CD1 3.27Å; L565-I569 WeakPolarHBondContact O-CG1 3.3Å; L565-I569 PolarHBondContact O-N 2.94Å; I569-L571 PolarHBondContact O-N 3.02Å; I569-F572 PolarHBondContact O-N 3.44Å; I569-F572 VanDerWaalsContact O-N 3.1Å; I569-K573 VanDerWaalsContact O-CB 3.32Å; I569-K573 WeakPolarHBondContact O-CB 3.28Å; I569-K573 PolarHBondContact O-N 3.12Å
570G93.8Very high92.5Very high23 Ų2335.9 Ų35.924%0.23719%0.186CC..Hα-helixtrans-58.3-31.3176.900000113.2E566 F567 P574E566-G570 PolarHBondContact O-N 3.38Å; F567-G570 PolarHBondContact O-N 3.24Å; G570-P574 WeakPolarHBondContact O-CD 3.2Å
571L94.1Very high93.3Very high1 Ų129.5 Ų29.51%0.00516%0.158CC..Hα-helixtrans-71.3-32.8179.3-171.165.1000112.1R481 L485 F488 F567 L568 I569R481-L571 HydrophobicContact CG-CD1 3.86Å; L485-L571 HydrophobicContact CD2-CD1 3.73Å; L485-L571 HydrophobicContact CD2-CD2 3.82Å; L485-L571 HydrophobicContact CD2-CG 3.43Å; L485-L571 VanDerWaalsContact CD2-CG 3.43Å; F488-L571 HydrophobicContact CB-CD2 3.65Å; F488-L571 HydrophobicContact CD1-CD2 4.2Å; F488-L571 HydrophobicContact CD2-CD2 4.45Å; F488-L571 HydrophobicContact CG-CD2 3.85Å; F567-L571 HydrophobicContact CE1-CD2 4.23Å; F567-L571 WeakPolarHBondContact O-CB 3.49Å; F567-L571 PolarHBondContact O-N 2.93Å; L568-L571 PolarHBondContact O-N 3.39Å; I569-L571 PolarHBondContact O-N 3.02Å
572F93.9Very high93.8Very high0 Ų029.5 Ų29.50%016%0.159CC..Hα-helixtrans-102.8-14.1-177.9-86.8-109.7000114.2L485 V489 S492 L493 V496 F524 L568 I569 P574 F575 V576L485-F572 HydrophobicContact CD2-CD2 4.33Å; L485-F572 HydrophobicContact CD2-CE2 3.77Å; L485-F572 HydrophobicContact CD2-CZ 4.28Å; V489-F572 HydrophobicContact CB-CZ 4.22Å; V489-F572 HydrophobicContact CG1-CE1 4.48Å; V489-F572 HydrophobicContact CG1-CZ 4.44Å; V489-F572 HydrophobicContact CG2-CZ 4.13Å; S492-F572 WeakPolarHBondContact OG-CD2 3.38Å; S492-F572 WeakPolarHBondContact OG-CE2 3.2Å; L493-F572 HydrophobicContact CD2-CD1 4.08Å; L493-F572 HydrophobicContact CD2-CE1 4.26Å; V496-F572 HydrophobicContact CG2-CB 4.05Å; F524-F572 HydrophobicContact CD2-CE1 4.14Å; F524-F572 HydrophobicContact CE1-CE1 4.23Å; F524-F572 HydrophobicContact CE1-CZ 4.19Å; F524-F572 HydrophobicContact CE2-CD1 4.16Å; F524-F572 AromaticContact CE2-CE1 3.39Å; F524-F572 HydrophobicContact CE2-CE1 3.39Å; F524-F572 HydrophobicContact CE2-CZ 4.15Å; F524-F572 HydrophobicContact CZ-CD1 4.28Å; F524-F572 AromaticContact CZ-CE1 3.43Å; F524-F572 HydrophobicContact CZ-CE1 3.43Å; F524-F572 VanDerWaalsContact CZ-CE1 3.43Å; F524-F572 AromaticContact CZ-CZ 3.8Å; F524-F572 HydrophobicContact CZ-CZ 3.8Å; L568-F572 PolarHBondContact O-N 3.25Å; I569-F572 PolarHBondContact O-N 3.44Å; I569-F572 VanDerWaalsContact O-N 3.1Å; F572-P574 VanDerWaalsContact C-N 3.29Å; F572-F575 WeakPolarHBondContact O-CB 3.03Å; F572-F575 PolarHBondContact O-N 3.08Å; F572-V576 PolarHBondContact O-N 3.45Å
573K92.4Very high94Very high110 Ų11025.7 Ų25.748%0.47814%0.138SC..Hα-helixtrans-47.8-43.4175.1178.3175.9176.21800113I569 F575 V576 E577I569-K573 VanDerWaalsContact O-CB 3.32Å; I569-K573 WeakPolarHBondContact O-CB 3.28Å; I569-K573 PolarHBondContact O-N 3.12Å; K573-F575 VanDerWaalsContact C-N 3.27Å; K573-F575 PolarHBondContact O-N 3.4Å; K573-V576 PolarHBondContact O-N 2.86Å; K573-E577 WeakPolarHBondContact CE-OE1 3.43Å; K573-E577 HydrophobicContact CG-CG 4.05Å; K573-E577 IonicContact NZ-OE1 2.83Å; K573-E577 WeakPolarHBondContact O-CB 3.41Å; K573-E577 WeakPolarHBondContact O-CG 3.35Å; K573-E577 PolarHBondContact O-N 2.84Å
574P93.3Very high94.1Very high20 Ų2027.3 Ų27.313%0.1314%0.135CC..Hα-helixtrans-60.9-32.8178.5-23.834.4000114.1G570 F572 S578 C618 D620G570-P574 WeakPolarHBondContact O-CD 3.2Å; F572-P574 VanDerWaalsContact C-N 3.29Å; P574-S578 WeakPolarHBondContact O-CB 3.36Å; P574-S578 PolarHBondContact O-N 3.01Å; P574-S578 PolarHBondContact O-OG 3.17Å; P574-C618 PolarHBondContact O-SG 3.29Å; P574-D620 HydrophobicContact CB-CB 4.11Å; P574-D620 WeakPolarHBondContact CB-OD2 3.25Å
575F94.3Very high94Very high3 Ų327.4 Ų27.41%0.01314%0.135CC..Hα-helixtrans-72-45.4176.7-63.3-86.3000111.3K250 L485 F520 F524 F572 K573 S578 Y579 L626K250-F575 HydrophobicContact CD-CE1 4.29Å; K250-F575 HydrophobicContact CD-CZ 4.49Å; L485-F575 HydrophobicContact CD1-CE2 3.37Å; L485-F575 HydrophobicContact CD1-CZ 3.28Å; L485-F575 HydrophobicContact CD2-CE2 4.38Å; F520-F575 HydrophobicContact CD1-CB 4.48Å; F520-F575 HydrophobicContact CE1-CB 3.86Å; F520-F575 HydrophobicContact CZ-CB 4.11Å; F524-F575 HydrophobicContact CE1-CZ 4.49Å; F524-F575 HydrophobicContact CZ-CD1 4.25Å; F524-F575 HydrophobicContact CZ-CD2 4.26Å; F524-F575 HydrophobicContact CZ-CE1 4.03Å; F524-F575 HydrophobicContact CZ-CE2 4.05Å; F524-F575 HydrophobicContact CZ-CG 4.37Å; F524-F575 AromaticContact CZ-CZ 3.94Å; F524-F575 HydrophobicContact CZ-CZ 3.94Å; F572-F575 WeakPolarHBondContact O-CB 3.03Å; F572-F575 PolarHBondContact O-N 3.08Å; K573-F575 VanDerWaalsContact C-N 3.27Å; K573-F575 PolarHBondContact O-N 3.4Å; F575-S578 PolarHBondContact O-N 2.76Å; F575-Y579 WeakPolarHBondContact O-CD2 3.41Å; F575-Y579 PolarHBondContact O-N 3.42Å; F575-L626 HydrophobicContact CD1-CD1 4.19Å
576V94.2Very high93.9Very high15 Ų1527.2 Ų27.29%0.09113%0.133CC..Hα-helixtrans-60.9-49.8177.3179.40000110.4V496 F520 F572 K573 S578 Y579 Q580 L665V496-V576 HydrophobicContact CG1-CG2 4.4Å; F520-V576 HydrophobicContact CE2-CG2 4.19Å; F520-V576 HydrophobicContact CZ-CG2 3.84Å; F572-V576 PolarHBondContact O-N 3.45Å; K573-V576 PolarHBondContact O-N 2.86Å; V576-S578 PolarHBondContact O-N 3.5Å; V576-Y579 PolarHBondContact O-N 2.94Å; V576-Q580 WeakPolarHBondContact O-CG 3.3Å; V576-Q580 PolarHBondContact O-N 3.33Å; V576-L665 HydrophobicContact CG1-CD2 4.45Å
577E93.6Very high93.7Very high54 Ų5423.2 Ų23.225%0.25212%0.117SC..Hα-helixtrans-63.1-40.2178.6-73.1-173.9166.300112.3K573 Y579 Q580 I581 C618K573-E577 WeakPolarHBondContact CE-OE1 3.43Å; K573-E577 HydrophobicContact CG-CG 4.05Å; K573-E577 IonicContact NZ-OE1 2.83Å; K573-E577 WeakPolarHBondContact O-CB 3.41Å; K573-E577 WeakPolarHBondContact O-CG 3.35Å; K573-E577 PolarHBondContact O-N 2.84Å; E577-Y579 VanDerWaalsContact C-N 3.33Å; E577-Y579 PolarHBondContact O-N 2.92Å; E577-Q580 WeakPolarHBondContact O-CB 3.35Å; E577-Q580 PolarHBondContact O-N 2.99Å; E577-I581 VanDerWaalsContact O-CG1 3.3Å; E577-I581 WeakPolarHBondContact O-CG1 3.49Å; E577-I581 PolarHBondContact O-N 3.18Å; E577-C618 HydrophobicContact CB-CB 4.2Å
578S95.1Very high93.4Very high0 Ų029.1 Ų29.10%014%0.144CC..Hα-helixtrans-61-44.7177-63.10000111.2P574 F575 V576 Q580 I581 V582 C618 A621P574-S578 WeakPolarHBondContact O-CB 3.36Å; P574-S578 PolarHBondContact O-N 3.01Å; P574-S578 PolarHBondContact O-OG 3.17Å; F575-S578 PolarHBondContact O-N 2.76Å; V576-S578 PolarHBondContact O-N 3.5Å; S578-Q580 VanDerWaalsContact C-N 3.32Å; S578-Q580 PolarHBondContact O-N 3.35Å; S578-I581 PolarHBondContact O-N 3.06Å; S578-V582 WeakPolarHBondContact O-CG2 3.16Å; S578-V582 PolarHBondContact O-N 3.16Å; S578-C618 PolarHBondContact OG-SG 3.45Å; S578-A621 WeakPolarHBondContact OG-CA 3.46Å; S578-A621 PolarHBondContact OG-N 2.91Å
579Y95.4Very high92.7Very high0 Ų031.9 Ų31.90%016%0.157CC..Hα-helixtrans-65.2-37.6177.7-82-125.9000111.2V519 F520 E523 F575 V576 E577 V582 S583 L626 A630 A633 F634V519-Y579 HydrophobicContact CG1-CD1 3.48Å; V519-Y579 VanDerWaalsContact CG1-CD1 3.48Å; V519-Y579 HydrophobicContact CG1-CE1 3.64Å; V519-Y579 HydrophobicContact CG1-CG 4.45Å; F520-Y579 HydrophobicContact CD1-CE1 4.27Å; F520-Y579 HydrophobicContact CD1-CE2 4.21Å; F520-Y579 HydrophobicContact CE1-CD1 4.24Å; F520-Y579 AromaticContact CE1-CD2 3.96Å; F520-Y579 HydrophobicContact CE1-CD2 3.96Å; F520-Y579 HydrophobicContact CE1-CE1 4.29Å; F520-Y579 HydrophobicContact CE1-CE2 4.02Å; F520-Y579 HydrophobicContact CE1-CG 4.09Å; E523-Y579 HydrophobicContact CG-CE2 4.28Å; E523-Y579 VanDerWaalsContact CG-OH 3.24Å; E523-Y579 WeakPolarHBondContact CG-OH 3.42Å; E523-Y579 VanDerWaalsContact OE1-CE2 3.26Å; E523-Y579 WeakPolarHBondContact OE1-CE2 3.39Å; E523-Y579 PolarHBondContact OE1-OH 3.11Å; F575-Y579 WeakPolarHBondContact O-CD2 3.41Å; F575-Y579 PolarHBondContact O-N 3.42Å; V576-Y579 PolarHBondContact O-N 2.94Å; E577-Y579 VanDerWaalsContact C-N 3.33Å; E577-Y579 PolarHBondContact O-N 2.92Å; Y579-V582 PolarHBondContact O-N 3.46Å; Y579-S583 PolarHBondContact O-N 2.97Å; Y579-S583 PolarHBondContact O-OG 3.36Å; Y579-S583 VanDerWaalsContact O-OG 3.07Å; Y579-L626 HydrophobicContact CD2-CD2 4.21Å; Y579-L626 HydrophobicContact CE2-CD2 4.06Å; Y579-L626 HydrophobicContact CE2-CG 4.37Å; Y579-A630 HydrophobicContact CD1-CB 4.29Å; Y579-A630 HydrophobicContact CD2-CB 4.25Å; Y579-A630 HydrophobicContact CE1-CB 4Å; Y579-A630 HydrophobicContact CE2-CB 3.95Å; Y579-A630 HydrophobicContact CG-CB 4.41Å; Y579-A630 PolarHBondContact OH-N 2.96Å; Y579-A633 HydrophobicContact CE1-CB 3.98Å; Y579-F634 AromaticContact CD1-CE1 3.78Å; Y579-F634 HydrophobicContact CD1-CE1 3.78Å; Y579-F634 HydrophobicContact CD1-CZ 4.36Å; Y579-F634 HydrophobicContact CE1-CE1 4.38Å
580Q93.6Very high91.8Very high40 Ų4038.9 Ų38.919%0.18719%0.189CC..Hα-helixtrans-62.9-39.5172.1-69.9172.8-5.700112.7V576 E577 S578 S583 K584 L665V576-Q580 WeakPolarHBondContact O-CG 3.3Å; V576-Q580 PolarHBondContact O-N 3.33Å; E577-Q580 WeakPolarHBondContact O-CB 3.35Å; E577-Q580 PolarHBondContact O-N 2.99Å; S578-Q580 VanDerWaalsContact C-N 3.32Å; S578-Q580 PolarHBondContact O-N 3.35Å; Q580-S583 PolarHBondContact O-N 3.32Å; Q580-K584 WeakPolarHBondContact O-CB 3.39Å; Q580-K584 WeakPolarHBondContact O-CG 3.37Å; Q580-K584 PolarHBondContact O-N 3.01Å; Q580-L665 HydrophobicContact CG-CB 3.77Å; Q580-L665 HydrophobicContact CG-CD1 4.43Å; Q580-L665 VanDerWaalsContact NE2-C 3.28Å; Q580-L665 PolarHBondContact NE2-O 3.23Å
581I94Very high91.1Very high7 Ų742.5 Ų42.54%0.03620%0.2CC..Hα-helixtrans-64-44.2176.2-70.7165.3000110.1E577 S578 K584 Y585 F606 L610 C618 A621E577-I581 VanDerWaalsContact O-CG1 3.3Å; E577-I581 WeakPolarHBondContact O-CG1 3.49Å; E577-I581 PolarHBondContact O-N 3.18Å; S578-I581 PolarHBondContact O-N 3.06Å; I581-K584 PolarHBondContact O-N 3.21Å; I581-Y585 WeakPolarHBondContact O-CB 3.37Å; I581-Y585 PolarHBondContact O-N 2.6Å; I581-F606 HydrophobicContact CG2-CD1 4.09Å; I581-F606 HydrophobicContact CG2-CE1 4.13Å; I581-L610 HydrophobicContact CG1-CD1 4.29Å; I581-L610 HydrophobicContact CG2-CD1 4.03Å; I581-C618 HydrophobicContact CD1-CB 4.05Å; I581-A621 HydrophobicContact CD1-CB 4.08Å
582V94.6Very high90.3Very high1 Ų149.4 Ų49.41%0.00624%0.236CC..Hα-helixtrans-62.3-44.8175.2-175.90000110.8S578 Y579 K584 Y585 L586 Y599 V603 A630 F634S578-V582 WeakPolarHBondContact O-CG2 3.16Å; S578-V582 PolarHBondContact O-N 3.16Å; Y579-V582 PolarHBondContact O-N 3.46Å; V582-K584 VanDerWaalsContact C-N 3.34Å; V582-K584 PolarHBondContact O-N 3.27Å; V582-Y585 WeakPolarHBondContact O-CB 3.37Å; V582-Y585 PolarHBondContact O-N 2.87Å; V582-L586 HydrophobicContact CG1-CD1 4.25Å; V582-L586 HydrophobicContact CG1-CG 4.41Å; V582-L586 WeakPolarHBondContact O-CG 3.37Å; V582-L586 PolarHBondContact O-N 2.97Å; V582-Y599 HydrophobicContact CG1-CE2 3.81Å; V582-Y599 WeakPolarHBondContact CG1-OH 3.15Å; V582-V603 HydrophobicContact CG2-CG1 4.04Å; V582-A630 HydrophobicContact CG2-CB 4.24Å; V582-F634 HydrophobicContact CB-CE2 3.99Å; V582-F634 HydrophobicContact CB-CZ 4.26Å; V582-F634 HydrophobicContact CG1-CD2 4.28Å; V582-F634 HydrophobicContact CG1-CE2 3.53Å; V582-F634 HydrophobicContact CG1-CZ 4.25Å
583S93.3Very high90Very high0 Ų052.6 Ų52.60%026%0.258CS..Hα-helixtrans-61.4-40.9176.4-590000112.5Y579 Q580 L586 L587 F634Y579-S583 PolarHBondContact O-N 2.97Å; Y579-S583 PolarHBondContact O-OG 3.36Å; Y579-S583 VanDerWaalsContact O-OG 3.07Å; Q580-S583 PolarHBondContact O-N 3.32Å; S583-L586 PolarHBondContact O-N 3.35Å; S583-L587 WeakPolarHBondContact O-CG 3.11Å; S583-L587 PolarHBondContact O-N 3.33Å; S583-L587 VanDerWaalsContact O-N 3.12Å; S583-F634 WeakPolarHBondContact OG-CZ 3.28Å
584K92.4Very high90Very high88 Ų8847.5 Ų47.538%0.38324%0.236SC..Hα-helixtrans-60.4-46173.9-77.4172.9-177.3179.30111.5Q580 I581 V582 L586 L587 H588 F606Q580-K584 WeakPolarHBondContact O-CB 3.39Å; Q580-K584 WeakPolarHBondContact O-CG 3.37Å; Q580-K584 PolarHBondContact O-N 3.01Å; I581-K584 PolarHBondContact O-N 3.21Å; V582-K584 VanDerWaalsContact C-N 3.34Å; V582-K584 PolarHBondContact O-N 3.27Å; K584-L586 PolarHBondContact O-N 3.31Å; K584-L587 PolarHBondContact O-N 2.92Å; K584-H588 PolarHBondContact O-CD2 3.21Å; K584-H588 PolarHBondContact O-N 3.33Å; K584-F606 HydrophobicContact CB-CE1 4.35Å; K584-F606 HydrophobicContact CB-CZ 4.42Å
585Y93.6Very high90Very high12 Ų1248.7 Ų48.75%0.04724%0.243CC..Hα-helixtrans-57.9-48.3176.4163.4-101000111.4I581 V582 L587 H588 E589 Y599 A602 V603 F606I581-Y585 WeakPolarHBondContact O-CB 3.37Å; I581-Y585 PolarHBondContact O-N 2.6Å; V582-Y585 WeakPolarHBondContact O-CB 3.37Å; V582-Y585 PolarHBondContact O-N 2.87Å; Y585-L587 VanDerWaalsContact C-N 3.25Å; Y585-L587 PolarHBondContact O-N 3.21Å; Y585-H588 CarbonylContact O-C 3.55Å; Y585-H588 PolarHBondContact O-N 3.43Å; Y585-E589 WeakPolarHBondContact CE2-OE2 3.06Å; Y585-E589 PolarHBondContact O-N 3.45Å; Y585-E589 PolarHBondContact OH-OE2 3.19Å; Y585-Y599 HydrophobicContact CE1-CD2 4.08Å; Y585-Y599 HydrophobicContact CE1-CE2 4.46Å; Y585-A602 HydrophobicContact CE2-CB 3.8Å; Y585-A602 WeakPolarHBondContact OH-CB 3.43Å; Y585-V603 HydrophobicContact CD1-CB 4.45Å; Y585-V603 HydrophobicContact CD1-CG2 3.33Å; Y585-V603 HydrophobicContact CE1-CG2 3.44Å; Y585-V603 VanDerWaalsContact CE1-CG2 3.44Å; Y585-V603 HydrophobicContact CG-CG2 3.99Å; Y585-F606 HydrophobicContact CD2-CB 3.92Å; Y585-F606 HydrophobicContact CD2-CD1 4.4Å; Y585-F606 HydrophobicContact CD2-CD2 4.44Å; Y585-F606 HydrophobicContact CD2-CG 4.02Å; Y585-F606 HydrophobicContact CG-CD1 4.45Å
586L92.1Very high89.8Confident4 Ų452.6 Ų52.62%0.02126%0.261CS..Hα-helixtrans-64.5-26.4-179.5-67.6176.8000113.8V582 S583 K584 F594 Y599 F634 V640 V653 T658V582-L586 HydrophobicContact CG1-CD1 4.25Å; V582-L586 HydrophobicContact CG1-CG 4.41Å; V582-L586 WeakPolarHBondContact O-CG 3.37Å; V582-L586 PolarHBondContact O-N 2.97Å; S583-L586 PolarHBondContact O-N 3.35Å; K584-L586 PolarHBondContact O-N 3.31Å; L586-F594 HydrophobicContact CD2-CE1 3.87Å; L586-F594 HydrophobicContact CD2-CZ 3.76Å; L586-Y599 HydrophobicContact CD2-CD2 4.36Å; L586-Y599 HydrophobicContact CD2-CE2 4.31Å; L586-F634 HydrophobicContact CD1-CD2 3.51Å; L586-F634 HydrophobicContact CD1-CE2 3.7Å; L586-V640 HydrophobicContact CD1-CG2 3.91Å; L586-V653 HydrophobicContact CB-CG1 4.23Å; L586-V653 HydrophobicContact CB-CG2 4.29Å; L586-V653 HydrophobicContact CD2-CG2 4Å; L586-T658 HydrophobicContact CB-CG2 4.18Å
587L89.5Confident89.6Confident58 Ų5860 Ų6030%0.30429%0.292SS..Hα-helixtrans-80.6-17173.3-69.3169.9000113.4S583 K584 Y585 T658S583-L587 WeakPolarHBondContact O-CG 3.11Å; S583-L587 PolarHBondContact O-N 3.33Å; S583-L587 VanDerWaalsContact O-N 3.12Å; K584-L587 PolarHBondContact O-N 2.92Å; Y585-L587 VanDerWaalsContact C-N 3.25Å; Y585-L587 PolarHBondContact O-N 3.21Å; L587-T658 HydrophobicContact CD1-CG2 4.32Å; L587-T658 HydrophobicContact CD2-CG2 3.88Å; L587-T658 HydrophobicContact CG-CG2 3.73Å
588H87.6Confident89.6Confident137 Ų13761.8 Ų61.863%0.63430%0.3SS*.Hα-helixtrans-99.2-13.1177.4-79.7-61.6000113.2K584 Y585 E590K584-H588 PolarHBondContact O-CD2 3.21Å; K584-H588 PolarHBondContact O-N 3.33Å; Y585-H588 CarbonylContact O-C 3.55Å; Y585-H588 PolarHBondContact O-N 3.43Å; H588-E590 PolarHBondContact O-N 2.83Å
589E81.9Confident89.5Confident57 Ų5761.8 Ų61.827%0.26630%0.3SS..  trans-73.9123.9-178.3-171.159.5-114.200110Y585 E591Y585-E589 WeakPolarHBondContact CE2-OE2 3.06Å; Y585-E589 PolarHBondContact O-N 3.45Å; Y585-E589 PolarHBondContact OH-OE2 3.19Å; E589-E591 HydrophobicContact CG-CB 4.23Å
590E75.3Confident89.4Confident187 Ų18762.9 Ų62.987%0.87431%0.306SS*.  trans-86.5-14.5-179.2-64.2-178.5176.500112H588 D592H588-E590 PolarHBondContact O-N 2.83Å; E590-D592 PolarHBondContact O-N 2.94Å
591E78.5Confident89.3Confident99 Ų9965.4 Ų65.446%0.46332%0.324SS..  trans-73.5119.6176.1-69.1-169.7175.100111.9E589 C593E589-E591 HydrophobicContact CG-CB 4.23Å; E591-C593 PolarHBondContact O-N 3.19Å; E591-C593 VanDerWaalsContact O-N 3.14Å
592D78.1Confident89.2Confident146 Ų14666.4 Ų66.478%0.78133%0.333SS*.SBendtrans-58.4-28176.3-70.3-38.1000113.6E590 S652E590-D592 PolarHBondContact O-N 2.94Å; D592-S652 WeakPolarHBondContact O-CB 3.27Å
593C88.1Confident89.2Confident66 Ų6666.3 Ų66.345%0.44633%0.333SS..  trans-148.8131.6-172.3-81.20000111.7E591 V650 F651E591-C593 PolarHBondContact O-N 3.19Å; E591-C593 VanDerWaalsContact O-N 3.14Å; C593-V650 HydrophobicContact CB-CG1 3.57Å; C593-F651 CarbonylContact C-O 3.47Å; C593-F651 VanDerWaalsContact CA-O 3.27Å; C593-F651 WeakPolarHBondContact CA-O 3.46Å
594F91.9Very high89.1Confident3 Ų368.1 Ų68.11%0.01334%0.34CS..EExtended strand (participates in β ladder)trans-133.5158.9177.957.2-96000112.7L586 Y599 L631 V640 F651 V653L586-F594 HydrophobicContact CD2-CE1 3.87Å; L586-F594 HydrophobicContact CD2-CZ 3.76Å; F594-Y599 HydrophobicContact CD2-CD2 4.48Å; F594-Y599 HydrophobicContact CD2-CG 4.38Å; F594-Y599 AromaticContact CE2-CD2 3.83Å; F594-Y599 HydrophobicContact CE2-CD2 3.83Å; F594-Y599 HydrophobicContact CE2-CG 4Å; F594-Y599 HydrophobicContact CZ-CD2 4.23Å; F594-L631 HydrophobicContact CE2-CD1 4.22Å; F594-V640 HydrophobicContact CZ-CG1 4.42Å; F594-F651 HydrophobicContact CD2-CB 3.86Å; F594-F651 HydrophobicContact CD2-CD2 4.36Å; F594-F651 HydrophobicContact CD2-CG 4.49Å; F594-F651 HydrophobicContact CE1-CB 4.36Å; F594-F651 HydrophobicContact CE2-CB 3.47Å; F594-F651 VanDerWaalsContact CE2-CB 3.47Å; F594-F651 HydrophobicContact CE2-CD2 4.29Å; F594-F651 HydrophobicContact CE2-CG 4.07Å; F594-F651 HydrophobicContact CG-CB 4.48Å; F594-F651 HydrophobicContact CZ-CB 3.74Å; F594-F651 PolarHBondContact N-O 3.32Å; F594-F651 PolarHBondContact O-N 2.99Å; F594-V653 HydrophobicContact CE1-CG2 3.75Å
595T92.2Very high89Confident46 Ų4670.6 Ų70.628%0.28235%0.35SS..EExtended strand (participates in β ladder)trans-91.2158.5168.665.60000111.2K597 Q598 Y599T595-K597 PolarHBondContact O-N 3.24Å; T595-K597 VanDerWaalsContact O-N 3.17Å; T595-Q598 PolarHBondContact O-N 3Å; T595-Q598 VanDerWaalsContact O-N 3.11Å; T595-Q598 WeakPolarHBondContact OG1-CG 3.45Å; T595-Q598 PolarHBondContact OG1-N 2.67Å; T595-Q598 PolarHBondContact OG1-OE1 3.46Å; T595-Y599 PolarHBondContact O-N 3.03Å
596E91.3Very high89Confident84 Ų8471.9 Ų71.939%0.39336%0.356SS..Hα-helixtrans-54.3-38175.7-173.7-177.1154.800112Y599 L600 L631 F651E596-Y599 PolarHBondContact O-N 2.78Å; E596-L600 HydrophobicContact CG-CD1 4.3Å; E596-L600 VanDerWaalsContact O-CG 3.26Å; E596-L600 WeakPolarHBondContact O-CG 3.49Å; E596-L600 PolarHBondContact O-N 2.79Å; E596-L631 HydrophobicContact CB-CD2 4.47Å; E596-L631 HydrophobicContact CG-CD2 4.08Å; E596-F651 HydrophobicContact CB-CE2 4Å
597K90.6Very high89Confident172 Ų17271.8 Ų71.875%0.74836%0.355SS*.Hα-helixtrans-66.2-42.6179.1-69.9-177-178.3175.10112.5T595 V601T595-K597 PolarHBondContact O-N 3.24Å; T595-K597 VanDerWaalsContact O-N 3.17Å; K597-V601 WeakPolarHBondContact O-CG2 3.48Å; K597-V601 PolarHBondContact O-N 3Å
598Q91.8Very high89Confident91 Ų9170.4 Ų70.443%0.42535%0.351SS..Hα-helixtrans-63.9-48.5176.6-75.3160.7-54.200110.3T595 L600 V601 A602T595-Q598 PolarHBondContact O-N 3Å; T595-Q598 VanDerWaalsContact O-N 3.11Å; T595-Q598 WeakPolarHBondContact OG1-CG 3.45Å; T595-Q598 PolarHBondContact OG1-N 2.67Å; T595-Q598 PolarHBondContact OG1-OE1 3.46Å; Q598-L600 PolarHBondContact O-N 3.2Å; Q598-V601 PolarHBondContact O-N 2.78Å; Q598-V601 VanDerWaalsContact O-N 3.1Å; Q598-A602 WeakPolarHBondContact O-CB 3.41Å; Q598-A602 PolarHBondContact O-N 3.11Å
599Y93.6Very high89.1Confident0 Ų068 Ų680%034%0.34CS..Hα-helixtrans-52.4-49.5176.5164.6-94.8000112.8V582 Y585 L586 F594 T595 E596 V601 A602 V603 Q627 L631V582-Y599 HydrophobicContact CG1-CE2 3.81Å; V582-Y599 WeakPolarHBondContact CG1-OH 3.15Å; Y585-Y599 HydrophobicContact CE1-CD2 4.08Å; Y585-Y599 HydrophobicContact CE1-CE2 4.46Å; L586-Y599 HydrophobicContact CD2-CD2 4.36Å; L586-Y599 HydrophobicContact CD2-CE2 4.31Å; F594-Y599 HydrophobicContact CD2-CD2 4.48Å; F594-Y599 HydrophobicContact CD2-CG 4.38Å; F594-Y599 AromaticContact CE2-CD2 3.83Å; F594-Y599 HydrophobicContact CE2-CD2 3.83Å; F594-Y599 HydrophobicContact CE2-CG 4Å; F594-Y599 HydrophobicContact CZ-CD2 4.23Å; T595-Y599 PolarHBondContact O-N 3.03Å; E596-Y599 PolarHBondContact O-N 2.78Å; Y599-V601 VanDerWaalsContact C-N 3.27Å; Y599-V601 PolarHBondContact O-N 3.11Å; Y599-A602 PolarHBondContact O-N 3.42Å; Y599-V603 HydrophobicContact CD2-CG2 3.65Å; Y599-V603 HydrophobicContact CE1-CG2 4.39Å; Y599-V603 HydrophobicContact CE2-CG2 3.4Å; Y599-V603 HydrophobicContact CG-CG2 4.25Å; Y599-V603 WeakPolarHBondContact O-CB 3.31Å; Y599-V603 VanDerWaalsContact O-CG2 3.31Å; Y599-V603 WeakPolarHBondContact O-CG2 3.31Å; Y599-V603 PolarHBondContact O-N 2.95Å; Y599-Q627 HydrophobicContact CE1-CB 4.12Å; Y599-Q627 VanDerWaalsContact CE1-O 3.29Å; Y599-Q627 WeakPolarHBondContact CE1-O 3.31Å; Y599-Q627 PolarHBondContact OH-O 3.23Å; Y599-L631 HydrophobicContact CD1-CB 4.47Å; Y599-L631 HydrophobicContact CD1-CD2 3.91Å; Y599-L631 HydrophobicContact CE1-CB 3.79Å; Y599-L631 HydrophobicContact CE1-CD2 4.07Å; Y599-L631 HydrophobicContact CE1-CG 4.37Å; Y599-L631 HydrophobicContact CE2-CD1 4.42Å; Y599-L631 HydrophobicContact CG-CD2 4.4Å
600L93.1Very high89.4Confident23 Ų2366.7 Ų66.712%0.1234%0.335CS..Hα-helixtrans-63.3-31.8-179-68.4175.7000113.3E596 Q598 R604 Q627 K628E596-L600 HydrophobicContact CG-CD1 4.3Å; E596-L600 VanDerWaalsContact O-CG 3.26Å; E596-L600 WeakPolarHBondContact O-CG 3.49Å; E596-L600 PolarHBondContact O-N 2.79Å; Q598-L600 PolarHBondContact O-N 3.2Å; L600-R604 WeakPolarHBondContact O-CB 3.42Å; L600-R604 PolarHBondContact O-NH2 3.14Å; L600-R604 VanDerWaalsContact O-NH2 3.11Å; L600-Q627 HydrophobicContact CD2-CB 3.52Å; L600-Q627 PolarHBondContact O-OE1 3.02Å; L600-K628 HydrophobicContact CD1-CG 4.24Å; L600-K628 HydrophobicContact CD2-CG 3.91Å
601V92.1Very high90Very high93 Ų9359.1 Ų59.156%0.56430%0.3SS*.Hα-helixtrans-78.2-44.2177.6174.80000110.2K597 Q598 Y599 R604 K605K597-V601 WeakPolarHBondContact O-CG2 3.48Å; K597-V601 PolarHBondContact O-N 3Å; Q598-V601 PolarHBondContact O-N 2.78Å; Q598-V601 VanDerWaalsContact O-N 3.1Å; Y599-V601 VanDerWaalsContact C-N 3.27Å; Y599-V601 PolarHBondContact O-N 3.11Å; V601-R604 PolarHBondContact O-N 3.24Å; V601-K605 PolarHBondContact O-N 3.35Å
602A92.6Very high90.3Very high27 Ų2759 Ų5922%0.22330%0.302CS..Hα-helixtrans-69.3-47.4-176.100000112.6Y585 Q598 Y599 R604 K605 F606Y585-A602 HydrophobicContact CE2-CB 3.8Å; Y585-A602 WeakPolarHBondContact OH-CB 3.43Å; Q598-A602 WeakPolarHBondContact O-CB 3.41Å; Q598-A602 PolarHBondContact O-N 3.11Å; Y599-A602 PolarHBondContact O-N 3.42Å; A602-R604 VanDerWaalsContact C-N 3.27Å; A602-R604 PolarHBondContact O-N 2.9Å; A602-K605 PolarHBondContact O-N 3.11Å; A602-K605 VanDerWaalsContact O-N 3.15Å; A602-F606 WeakPolarHBondContact O-CB 3.46Å; A602-F606 PolarHBondContact O-N 3.32Å
603V93.4Very high90.7Very high0 Ų059 Ų590%030%0.297CS..Hα-helixtrans-57.7-41.4174.2174.30000111.1V582 Y585 Y599 F606 T607 Q627V582-V603 HydrophobicContact CG2-CG1 4.04Å; Y585-V603 HydrophobicContact CD1-CB 4.45Å; Y585-V603 HydrophobicContact CD1-CG2 3.33Å; Y585-V603 HydrophobicContact CE1-CG2 3.44Å; Y585-V603 VanDerWaalsContact CE1-CG2 3.44Å; Y585-V603 HydrophobicContact CG-CG2 3.99Å; Y599-V603 HydrophobicContact CD2-CG2 3.65Å; Y599-V603 HydrophobicContact CE1-CG2 4.39Å; Y599-V603 HydrophobicContact CE2-CG2 3.4Å; Y599-V603 HydrophobicContact CG-CG2 4.25Å; Y599-V603 WeakPolarHBondContact O-CB 3.31Å; Y599-V603 VanDerWaalsContact O-CG2 3.31Å; Y599-V603 WeakPolarHBondContact O-CG2 3.31Å; Y599-V603 PolarHBondContact O-N 2.95Å; V603-F606 PolarHBondContact O-N 3.29Å; V603-T607 VanDerWaalsContact O-CB 3.3Å; V603-T607 WeakPolarHBondContact O-CB 3.45Å; V603-T607 PolarHBondContact O-N 2.9Å; V603-T607 PolarHBondContact O-OG1 3.42Å; V603-Q627 HydrophobicContact CG1-CG 3.94Å
604R91.9Very high90.4Very high38 Ų3858.5 Ų58.514%0.14330%0.304CS..Hα-helixtrans-65.2-44.4178.6-167.2176.5-56.3106.524.4111.3L297 L600 V601 A602 T607 S608 L622L297-R604 WeakPolarHBondContact O-CD 3.5Å; L297-R604 VanDerWaalsContact O-CZ 3.3Å; L297-R604 PolarHBondContact O-NE 3.43Å; L297-R604 VanDerWaalsContact O-NE 3.16Å; L297-R604 PolarHBondContact O-NH1 2.87Å; L297-R604 VanDerWaalsContact O-NH1 3.12Å; L600-R604 WeakPolarHBondContact O-CB 3.42Å; L600-R604 PolarHBondContact O-NH2 3.14Å; L600-R604 VanDerWaalsContact O-NH2 3.11Å; V601-R604 PolarHBondContact O-N 3.24Å; A602-R604 VanDerWaalsContact C-N 3.27Å; A602-R604 PolarHBondContact O-N 2.9Å; R604-T607 PolarHBondContact O-N 3.41Å; R604-S608 PolarHBondContact O-N 3.37Å; R604-S608 PolarHBondContact O-OG 3.25Å; R604-S608 VanDerWaalsContact O-OG 3.12Å; R604-L622 HydrophobicContact CG-CD2 3.85Å; R604-L622 PolarHBondContact NE-O 3.45Å
605K91Very high90.1Very high140 Ų14061.8 Ų61.861%0.60933%0.332SS*.Hα-helixtrans-60.5-46.3176.2-175.1-175.6175.9-169.60111.4V601 A602 S608 Q609V601-K605 PolarHBondContact O-N 3.35Å; A602-K605 PolarHBondContact O-N 3.11Å; A602-K605 VanDerWaalsContact O-N 3.15Å; K605-S608 PolarHBondContact O-N 3.19Å; K605-Q609 WeakPolarHBondContact O-CG 3.28Å; K605-Q609 PolarHBondContact O-N 3.16Å; K605-Q609 VanDerWaalsContact O-N 3.07Å
606F92.4Very high89.7Confident39 Ų3960.6 Ų60.617%0.17133%0.325CS..Hα-helixtrans-60.9-45.5176.6-179.6-102.8000111.8I581 K584 Y585 A602 V603 S608 Q609 L610I581-F606 HydrophobicContact CG2-CD1 4.09Å; I581-F606 HydrophobicContact CG2-CE1 4.13Å; K584-F606 HydrophobicContact CB-CE1 4.35Å; K584-F606 HydrophobicContact CB-CZ 4.42Å; Y585-F606 HydrophobicContact CD2-CB 3.92Å; Y585-F606 HydrophobicContact CD2-CD1 4.4Å; Y585-F606 HydrophobicContact CD2-CD2 4.44Å; Y585-F606 HydrophobicContact CD2-CG 4.02Å; Y585-F606 HydrophobicContact CG-CD1 4.45Å; A602-F606 WeakPolarHBondContact O-CB 3.46Å; A602-F606 PolarHBondContact O-N 3.32Å; V603-F606 PolarHBondContact O-N 3.29Å; F606-S608 PolarHBondContact O-N 2.83Å; F606-Q609 WeakPolarHBondContact O-CB 3.32Å; F606-Q609 PolarHBondContact O-N 3.41Å; F606-L610 HydrophobicContact CD1-CD1 3.99Å; F606-L610 HydrophobicContact CE1-CD1 3.52Å; F606-L610 HydrophobicContact CE1-CG 4.27Å; F606-L610 HydrophobicContact CZ-CD1 4.01Å; F606-L610 HydrophobicContact CZ-CG 4.43Å; F606-L610 PolarHBondContact O-N 2.91Å; F606-L610 VanDerWaalsContact O-N 3.1Å
607T92.1Very high89.4Confident1 Ų164.9 Ų64.91%0.00635%0.345CS..Hα-helixtrans-61.4-45.6176.7-57.80000111.4V603 R604 Q609 L610 L611 A621 L622V603-T607 VanDerWaalsContact O-CB 3.3Å; V603-T607 WeakPolarHBondContact O-CB 3.45Å; V603-T607 PolarHBondContact O-N 2.9Å; V603-T607 PolarHBondContact O-OG1 3.42Å; R604-T607 PolarHBondContact O-N 3.41Å; T607-Q609 VanDerWaalsContact C-N 3.3Å; T607-Q609 PolarHBondContact O-N 3.08Å; T607-L610 PolarHBondContact O-N 3.08Å; T607-L611 HydrophobicContact CG2-CD1 4.09Å; T607-L611 HydrophobicContact CG2-CG 4.44Å; T607-L611 WeakPolarHBondContact O-CG 3.14Å; T607-L611 PolarHBondContact O-N 3.48Å; T607-A621 HydrophobicContact CG2-CB 3.62Å; T607-L622 HydrophobicContact CG2-CD2 3.67Å; T607-L622 HydrophobicContact CG2-CG 3.94Å
608S89.2Confident89.4Confident29 Ų2957 Ų5720%0.20331%0.311CS..Hα-helixtrans-57.8-42.7176.1-65.70000111.9R604 K605 F606 L610 L611 D612R604-S608 PolarHBondContact O-N 3.37Å; R604-S608 PolarHBondContact O-OG 3.25Å; R604-S608 VanDerWaalsContact O-OG 3.12Å; K605-S608 PolarHBondContact O-N 3.19Å; F606-S608 PolarHBondContact O-N 2.83Å; S608-L610 VanDerWaalsContact C-N 3.34Å; S608-L610 PolarHBondContact O-N 2.99Å; S608-L611 PolarHBondContact O-N 2.87Å; S608-D612 WeakPolarHBondContact O-CB 3.3Å; S608-D612 PolarHBondContact O-N 3.27Å
609Q89.3Confident89.2Confident88 Ų8853.7 Ų53.741%0.41130%0.296SS..Hα-helixtrans-61.4-41.3176.8-70.7170.7-21.700112.3K605 F606 T607 L611 D612 Q613K605-Q609 WeakPolarHBondContact O-CG 3.28Å; K605-Q609 PolarHBondContact O-N 3.16Å; K605-Q609 VanDerWaalsContact O-N 3.07Å; F606-Q609 WeakPolarHBondContact O-CB 3.32Å; F606-Q609 PolarHBondContact O-N 3.41Å; T607-Q609 VanDerWaalsContact C-N 3.3Å; T607-Q609 PolarHBondContact O-N 3.08Å; Q609-L611 VanDerWaalsContact C-N 3.34Å; Q609-D612 PolarHBondContact O-N 2.88Å; Q609-Q613 WeakPolarHBondContact O-CB 3.46Å; Q609-Q613 WeakPolarHBondContact O-CG 2.97Å; Q609-Q613 PolarHBondContact O-N 3.26Å
610L90.1Very high89.2Confident29 Ų2954.1 Ų54.115%0.15230%0.298CS..Hα-helixtrans-65.7-36.4176.5-68.3178000112.7I581 F606 T607 S608 G614 A615 S616I581-L610 HydrophobicContact CG1-CD1 4.29Å; I581-L610 HydrophobicContact CG2-CD1 4.03Å; F606-L610 HydrophobicContact CD1-CD1 3.99Å; F606-L610 HydrophobicContact CE1-CD1 3.52Å; F606-L610 HydrophobicContact CE1-CG 4.27Å; F606-L610 HydrophobicContact CZ-CD1 4.01Å; F606-L610 HydrophobicContact CZ-CG 4.43Å; F606-L610 PolarHBondContact O-N 2.91Å; F606-L610 VanDerWaalsContact O-N 3.1Å; T607-L610 PolarHBondContact O-N 3.08Å; S608-L610 VanDerWaalsContact C-N 3.34Å; S608-L610 PolarHBondContact O-N 2.99Å; L610-G614 PolarHBondContact O-N 3.38Å; L610-A615 HydrophobicContact CD2-CB 3.99Å; L610-A615 PolarHBondContact O-N 3.02Å; L610-S616 PolarHBondContact O-N 3Å
611L87.6Confident89.2Confident28 Ų2853 Ų5315%0.14729%0.293CS..Hα-helixtrans-68.8-43.9175.7-66170.6000111T607 S608 Q609 Q613 G614 S616 L622T607-L611 HydrophobicContact CG2-CD1 4.09Å; T607-L611 HydrophobicContact CG2-CG 4.44Å; T607-L611 WeakPolarHBondContact O-CG 3.14Å; T607-L611 PolarHBondContact O-N 3.48Å; S608-L611 PolarHBondContact O-N 2.87Å; Q609-L611 VanDerWaalsContact C-N 3.34Å; L611-Q613 VanDerWaalsContact C-N 3.31Å; L611-Q613 PolarHBondContact O-N 3.15Å; L611-G614 PolarHBondContact O-N 3.42Å; L611-S616 WeakPolarHBondContact CD2-O 3.11Å; L611-L622 HydrophobicContact CD1-CD1 3.67Å; L611-L622 HydrophobicContact CD1-CD2 4.19Å; L611-L622 HydrophobicContact CD1-CG 3.94Å
612D84.6Confident89.2Confident96 Ų9648.7 Ų48.751%0.51327%0.266SS..Hα-helixtrans-64.3-35.9179.1-66.6-21000112I467 S608 Q609 G614I467-D612 VanDerWaalsContact CD1-OD1 3.23Å; I467-D612 WeakPolarHBondContact CD1-OD1 3.36Å; I467-D612 VanDerWaalsContact CD1-OD2 3.24Å; I467-D612 WeakPolarHBondContact CD1-OD2 3.28Å; S608-D612 WeakPolarHBondContact O-CB 3.3Å; S608-D612 PolarHBondContact O-N 3.27Å; Q609-D612 PolarHBondContact O-N 2.88Å; D612-G614 VanDerWaalsContact C-N 3.26Å; D612-G614 PolarHBondContact O-N 3.4Å
613Q85.7Confident89.3Confident145 Ų14547.8 Ų47.868%0.67826%0.258SS*.THydrogen-bonded Turntrans-78.2-8.3175.6-69.1169.66.200113.3Q609 L611 A615Q609-Q613 WeakPolarHBondContact O-CB 3.46Å; Q609-Q613 WeakPolarHBondContact O-CG 2.97Å; Q609-Q613 PolarHBondContact O-N 3.26Å; L611-Q613 VanDerWaalsContact C-N 3.31Å; L611-Q613 PolarHBondContact O-N 3.15Å; Q613-A615 HydrophobicContact CB-CB 4.44Å; Q613-A615 PolarHBondContact O-N 3.45Å
614G82.5Confident89.3Confident57 Ų5748.2 Ų48.259%0.58826%0.261SS*.THydrogen-bonded Turntrans68.611.4-173.100000114.4L610 L611 D612 S616L610-G614 PolarHBondContact O-N 3.38Å; L611-G614 PolarHBondContact O-N 3.42Å; D612-G614 VanDerWaalsContact C-N 3.26Å; D612-G614 PolarHBondContact O-N 3.4Å; G614-S616 PolarHBondContact O-N 2.92Å
615A84.3Confident89.4Confident71 Ų7147.8 Ų47.859%0.58726%0.262SS*.SBendtrans-72.2-19.1178.300000112.8L610 Q613L610-A615 HydrophobicContact CD2-CB 3.99Å; L610-A615 PolarHBondContact O-N 3.02Å; Q613-A615 HydrophobicContact CB-CB 4.44Å; Q613-A615 PolarHBondContact O-N 3.45Å
616S85.1Confident89.5Confident22 Ų2241.3 Ų41.315%0.15423%0.234CC..  trans-142.3156.4171.3-178.60000110L610 L611 G614 C618L610-S616 PolarHBondContact O-N 3Å; L611-S616 WeakPolarHBondContact CD2-O 3.11Å; G614-S616 PolarHBondContact O-N 2.92Å; S616-C618 WeakPolarHBondContact OG-CB 3.32Å; S616-C618 PolarHBondContact OG-N 2.62Å; S616-C618 VanDerWaalsContact OG-N 3.1Å
617Q85.1Confident89.7Confident174 Ų17439.5 Ų39.581%0.81323%0.226SC*.  trans-114.84.3170.1-62178.90.600111.7F619Q617-F619 PolarHBondContact O-N 2.94Å
618C89.4Confident89.8Confident5 Ų543.3 Ų43.33%0.03424%0.242CC..  trans-80.883-173.7-166.80000111.8P574 E577 S578 I581 S616 D620 A621P574-C618 PolarHBondContact O-SG 3.29Å; E577-C618 HydrophobicContact CB-CB 4.2Å; S578-C618 PolarHBondContact OG-SG 3.45Å; I581-C618 HydrophobicContact CD1-CB 4.05Å; S616-C618 WeakPolarHBondContact OG-CB 3.32Å; S616-C618 PolarHBondContact OG-N 2.62Å; S616-C618 VanDerWaalsContact OG-N 3.1Å; C618-D620 PolarHBondContact O-N 3.46Å; C618-A621 PolarHBondContact O-N 3.41Å
619F89.1Confident90.1Very high23 Ų2343.4 Ų43.410%0.10124%0.241CC..G310 helixtrans-69.6-20.4177.161.1-94.3000113.2L393 L474 L475 Q617 A621 L622L393-F619 HydrophobicContact CD2-CE1 4.35Å; L393-F619 HydrophobicContact CD2-CZ 3.89Å; L474-F619 HydrophobicContact CB-CD1 4.15Å; L474-F619 HydrophobicContact CB-CD2 3.59Å; L474-F619 HydrophobicContact CB-CE1 4.22Å; L474-F619 HydrophobicContact CB-CE2 3.67Å; L474-F619 HydrophobicContact CB-CG 3.85Å; L474-F619 HydrophobicContact CB-CZ 3.99Å; L474-F619 HydrophobicContact CD1-CB 4.34Å; L474-F619 HydrophobicContact CD1-CD1 3.89Å; L474-F619 HydrophobicContact CD1-CE1 4.38Å; L474-F619 HydrophobicContact CD1-CG 4.02Å; L474-F619 HydrophobicContact CD2-CD1 4.47Å; L474-F619 HydrophobicContact CD2-CE1 4.14Å; L474-F619 HydrophobicContact CD2-CZ 4.34Å; L474-F619 HydrophobicContact CG-CD1 4.41Å; L474-F619 HydrophobicContact CG-CE1 4.49Å; L474-F619 HydrophobicContact CG-CG 4.49Å; L474-F619 VanDerWaalsContact O-CE2 3.26Å; L474-F619 WeakPolarHBondContact O-CE2 3.38Å; L475-F619 HydrophobicContact CD2-CD2 4.26Å; Q617-F619 PolarHBondContact O-N 2.94Å; F619-A621 PolarHBondContact O-N 3.19Å; F619-L622 WeakPolarHBondContact O-CB 3.31Å; F619-L622 PolarHBondContact O-N 3.03Å; F619-L622 VanDerWaalsContact O-N 3.07Å
620D92.1Very high90.5Very high8 Ų839.2 Ų39.24%0.04322%0.221CC..G310 helixtrans-58-30176-77.4-65.7000112S478 R481 P574 C618 L622 S623 L626S478-D620 VanDerWaalsContact CB-OD1 3.28Å; S478-D620 WeakPolarHBondContact CB-OD1 3.3Å; S478-D620 PolarHBondContact OG-OD1 2.85Å; R481-D620 IonicContact CZ-OD1 3.86Å; R481-D620 IonicContact CZ-OD2 3.84Å; R481-D620 IonicContact NH1-OD2 2.66Å; R481-D620 PolarHBondContact NH1-OD2 2.68Å; R481-D620 IonicContact NH2-OD1 3.29Å; R481-D620 PolarHBondContact NH2-OD1 3.04Å; R481-D620 IonicContact NH2-OD2 3.54Å; R481-D620 PolarHBondContact NH2-OD2 3.35Å; P574-D620 HydrophobicContact CB-CB 4.11Å; P574-D620 WeakPolarHBondContact CB-OD2 3.25Å; C618-D620 PolarHBondContact O-N 3.46Å; D620-L622 PolarHBondContact O-N 3.35Å; D620-S623 WeakPolarHBondContact O-CB 3.36Å; D620-S623 PolarHBondContact O-N 3Å; D620-L626 HydrophobicContact CB-CD1 4.35Å
621A93.4Very high90.7Very high1 Ų138.2 Ų38.21%0.00822%0.216CC..G310 helixtrans-65.1-16.3177.400000114S578 I581 T607 C618 F619 S623 Q627S578-A621 WeakPolarHBondContact OG-CA 3.46Å; S578-A621 PolarHBondContact OG-N 2.91Å; I581-A621 HydrophobicContact CD1-CB 4.08Å; T607-A621 HydrophobicContact CG2-CB 3.62Å; C618-A621 PolarHBondContact O-N 3.41Å; F619-A621 PolarHBondContact O-N 3.19Å; A621-S623 VanDerWaalsContact C-N 3.26Å; A621-S623 PolarHBondContact O-N 3.01Å; A621-Q627 PolarHBondContact O-NE2 3.07Å
622L92.5Very high91Very high2 Ų238.9 Ų38.91%0.0123%0.226CC..G310 helixtrans-73.5-19.4173.7-64.1171.6000113L297 H471 R604 T607 L611 F619 D620 S624L297-L622 HydrophobicContact CD2-CB 3.86Å; L297-L622 HydrophobicContact CD2-CD1 4.27Å; H471-L622 HydrophobicContact CB-CD1 3.91Å; H471-L622 VanDerWaalsContact CG-CD1 3.41Å; R604-L622 HydrophobicContact CG-CD2 3.85Å; R604-L622 PolarHBondContact NE-O 3.45Å; T607-L622 HydrophobicContact CG2-CD2 3.67Å; T607-L622 HydrophobicContact CG2-CG 3.94Å; L611-L622 HydrophobicContact CD1-CD1 3.67Å; L611-L622 HydrophobicContact CD1-CD2 4.19Å; L611-L622 HydrophobicContact CD1-CG 3.94Å; F619-L622 WeakPolarHBondContact O-CB 3.31Å; F619-L622 PolarHBondContact O-N 3.03Å; F619-L622 VanDerWaalsContact O-N 3.07Å; D620-L622 PolarHBondContact O-N 3.35Å; L622-S624 PolarHBondContact O-N 2.9Å
623S94.4Very high91.5Very high7 Ų734.3 Ų34.35%0.04920%0.201CC..  trans-65.2119.3-177.9176.60000111.6D620 A621 D625 L626 Q627D620-S623 WeakPolarHBondContact O-CB 3.36Å; D620-S623 PolarHBondContact O-N 3Å; A621-S623 VanDerWaalsContact C-N 3.26Å; A621-S623 PolarHBondContact O-N 3.01Å; S623-D625 PolarHBondContact O-N 3.27Å; S623-D625 PolarHBondContact OG-N 3.49Å; S623-L626 PolarHBondContact O-N 2.91Å; S623-L626 PolarHBondContact OG-N 3.27Å; S623-Q627 VanDerWaalsContact O-CG 3.28Å; S623-Q627 WeakPolarHBondContact O-CG 3.48Å; S623-Q627 PolarHBondContact O-N 3.36Å
624S93.3Very high91.9Very high9 Ų927.4 Ų27.46%0.06317%0.169CC..Hα-helixtrans-63-28.4175.964.40000113.2L296 L622 K628L296-S624 VanDerWaalsContact O-CB 3.3Å; L296-S624 WeakPolarHBondContact O-CB 3.25Å; L296-S624 PolarHBondContact O-N 3.39Å; L296-S624 PolarHBondContact O-OG 2.96Å; L622-S624 PolarHBondContact O-N 2.9Å; S624-K628 WeakPolarHBondContact O-CB 3.24Å; S624-K628 WeakPolarHBondContact O-CG 3.28Å; S624-K628 PolarHBondContact O-N 3.32Å
625D93.4Very high92.5Very high30 Ų3026.6 Ų26.616%0.1615%0.152CC..Hα-helixtrans-64.5-47.9173.3-79.3-0.9000110.7S248 L296 S623 K628 N629S248-D625 PolarHBondContact OG-OD2 2.96Å; L296-D625 HydrophobicContact CD2-CB 3.87Å; L296-D625 WeakPolarHBondContact CD2-OD2 3.37Å; S623-D625 PolarHBondContact O-N 3.27Å; S623-D625 PolarHBondContact OG-N 3.49Å; D625-K628 PolarHBondContact O-N 3.13Å; D625-N629 WeakPolarHBondContact O-CB 3.37Å; D625-N629 VanDerWaalsContact O-CG 3.25Å; D625-N629 PolarHBondContact O-N 3.02Å; D625-N629 PolarHBondContact O-OD1 3.29Å
626L94.8Very high92.9Very high4 Ų427.7 Ų27.72%0.02114%0.141CC..Hα-helixtrans-63.2-44.6178-169.7156.3000110.5F575 Y579 D620 S623 K628 N629 A630F575-L626 HydrophobicContact CD1-CD1 4.19Å; Y579-L626 HydrophobicContact CD2-CD2 4.21Å; Y579-L626 HydrophobicContact CE2-CD2 4.06Å; Y579-L626 HydrophobicContact CE2-CG 4.37Å; D620-L626 HydrophobicContact CB-CD1 4.35Å; S623-L626 PolarHBondContact O-N 2.91Å; S623-L626 PolarHBondContact OG-N 3.27Å; L626-K628 VanDerWaalsContact C-N 3.31Å; L626-K628 PolarHBondContact O-N 3.25Å; L626-N629 PolarHBondContact O-N 2.91Å; L626-A630 WeakPolarHBondContact O-CB 3.38Å; L626-A630 PolarHBondContact O-N 3.31Å
627Q95.5Very high93.2Very high0 Ų027.5 Ų27.50%014%0.138CC..Hα-helixtrans-59-41.7178.5-67.5167.2-6.600112.1Y599 L600 V603 A621 S623 L631Y599-Q627 HydrophobicContact CE1-CB 4.12Å; Y599-Q627 VanDerWaalsContact CE1-O 3.29Å; Y599-Q627 WeakPolarHBondContact CE1-O 3.31Å; Y599-Q627 PolarHBondContact OH-O 3.23Å; L600-Q627 HydrophobicContact CD2-CB 3.52Å; L600-Q627 PolarHBondContact O-OE1 3.02Å; V603-Q627 HydrophobicContact CG1-CG 3.94Å; A621-Q627 PolarHBondContact O-NE2 3.07Å; S623-Q627 VanDerWaalsContact O-CG 3.28Å; S623-Q627 WeakPolarHBondContact O-CG 3.48Å; S623-Q627 PolarHBondContact O-N 3.36Å; Q627-L631 PolarHBondContact O-N 3.48Å
628K95Very high93.5Very high82 Ų8221 Ų2136%0.35712%0.117SC..Hα-helixtrans-66.3-43175.8-73.1169.8-171.9162.30112.2L600 S624 D625 L626 L631 A632L600-K628 HydrophobicContact CD1-CG 4.24Å; L600-K628 HydrophobicContact CD2-CG 3.91Å; S624-K628 WeakPolarHBondContact O-CB 3.24Å; S624-K628 WeakPolarHBondContact O-CG 3.28Å; S624-K628 PolarHBondContact O-N 3.32Å; D625-K628 PolarHBondContact O-N 3.13Å; L626-K628 VanDerWaalsContact C-N 3.31Å; L626-K628 PolarHBondContact O-N 3.25Å; K628-L631 PolarHBondContact O-N 2.91Å; K628-A632 WeakPolarHBondContact O-CB 3.45Å; K628-A632 PolarHBondContact O-N 3.11Å
629N95.6Very high93.6Very high31 Ų3120.7 Ų20.717%0.16612%0.116CC..Hα-helixtrans-63.5-43.2177.4-72.2-5.3000111.1D522 E523 D625 L626 L631 A632 A633D522-N629 HydrophobicContact CB-CB 4.14Å; D522-N629 PolarHBondContact O-ND2 3.11Å; D522-N629 VanDerWaalsContact O-ND2 3.16Å; E523-N629 HydrophobicContact CG-CB 4.44Å; E523-N629 WeakPolarHBondContact OE1-CB 3.19Å; E523-N629 PolarHBondContact OE2-ND2 3.38Å; D625-N629 WeakPolarHBondContact O-CB 3.37Å; D625-N629 VanDerWaalsContact O-CG 3.25Å; D625-N629 PolarHBondContact O-N 3.02Å; D625-N629 PolarHBondContact O-OD1 3.29Å; L626-N629 PolarHBondContact O-N 2.91Å; N629-L631 PolarHBondContact O-N 2.87Å; N629-A632 PolarHBondContact O-N 3.44Å; N629-A633 WeakPolarHBondContact O-CB 3.37Å; N629-A633 PolarHBondContact O-N 3.39Å
630A96.3Very high93.8Very high0 Ų019.7 Ų19.70%011%0.111CC..Hα-helixtrans-60.2-44.9174.500000111.8Y579 V582 L626 A632 A633 F634Y579-A630 HydrophobicContact CD1-CB 4.29Å; Y579-A630 HydrophobicContact CD2-CB 4.25Å; Y579-A630 HydrophobicContact CE1-CB 4Å; Y579-A630 HydrophobicContact CE2-CB 3.95Å; Y579-A630 HydrophobicContact CG-CB 4.41Å; Y579-A630 PolarHBondContact OH-N 2.96Å; V582-A630 HydrophobicContact CG2-CB 4.24Å; L626-A630 WeakPolarHBondContact O-CB 3.38Å; L626-A630 PolarHBondContact O-N 3.31Å; A630-A632 PolarHBondContact O-N 3.43Å; A630-A633 PolarHBondContact O-N 2.86Å; A630-F634 WeakPolarHBondContact O-CB 3.27Å; A630-F634 VanDerWaalsContact O-CD1 3.26Å; A630-F634 WeakPolarHBondContact O-CD1 3.4Å; A630-F634 WeakPolarHBondContact O-CG 3.36Å; A630-F634 PolarHBondContact O-N 3.3Å
631L95.4Very high93.8Very high7 Ų723.9 Ų23.94%0.03713%0.131CC..Hα-helixtrans-61.8-43.9175.8-176.762.8000111.7F594 E596 Y599 Q627 K628 N629 A633 F634 V635 V640 F651F594-L631 HydrophobicContact CE2-CD1 4.22Å; E596-L631 HydrophobicContact CB-CD2 4.47Å; E596-L631 HydrophobicContact CG-CD2 4.08Å; Y599-L631 HydrophobicContact CD1-CB 4.47Å; Y599-L631 HydrophobicContact CD1-CD2 3.91Å; Y599-L631 HydrophobicContact CE1-CB 3.79Å; Y599-L631 HydrophobicContact CE1-CD2 4.07Å; Y599-L631 HydrophobicContact CE1-CG 4.37Å; Y599-L631 HydrophobicContact CE2-CD1 4.42Å; Y599-L631 HydrophobicContact CG-CD2 4.4Å; Q627-L631 PolarHBondContact O-N 3.48Å; K628-L631 PolarHBondContact O-N 2.91Å; N629-L631 PolarHBondContact O-N 2.87Å; L631-A633 VanDerWaalsContact C-N 3.34Å; L631-A633 PolarHBondContact O-N 3.15Å; L631-F634 PolarHBondContact O-N 3.34Å; L631-V635 WeakPolarHBondContact O-CG2 3.31Å; L631-V635 PolarHBondContact O-N 3.08Å; L631-V640 HydrophobicContact CD1-CG1 4.21Å; L631-F651 HydrophobicContact CD1-CD1 4.19Å; L631-F651 HydrophobicContact CD1-CE1 4.48Å; L631-F651 HydrophobicContact CD1-CG 4.49Å; L631-F651 HydrophobicContact CD2-CE1 4.22Å; L631-F651 HydrophobicContact CD2-CE2 4.27Å; L631-F651 HydrophobicContact CD2-CZ 4.08Å; L631-F651 HydrophobicContact CG-CE1 4.36Å
632A94.5Very high93.7Very high43 Ų4331 Ų3136%0.35516%0.157SC..Hα-helixtrans-61.9-42.2176.800000112K628 N629 A630 V635 R636K628-A632 WeakPolarHBondContact O-CB 3.45Å; K628-A632 PolarHBondContact O-N 3.11Å; N629-A632 PolarHBondContact O-N 3.44Å; A630-A632 PolarHBondContact O-N 3.43Å; A632-V635 PolarHBondContact O-N 2.64Å; A632-R636 PolarHBondContact O-N 3.35Å
633A94.6Very high93.6Very high0 Ų035.8 Ų35.80%018%0.178CC..Hα-helixtrans-63.6-44.7175.100000111.7V519 D522 Y579 N629 A630 L631 V635 R636 L637V519-A633 VanDerWaalsContact O-CB 3.32Å; V519-A633 WeakPolarHBondContact O-CB 3.33Å; D522-A633 PolarHBondContact OD2-N 2.92Å; Y579-A633 HydrophobicContact CE1-CB 3.98Å; N629-A633 WeakPolarHBondContact O-CB 3.37Å; N629-A633 PolarHBondContact O-N 3.39Å; A630-A633 PolarHBondContact O-N 2.86Å; L631-A633 VanDerWaalsContact C-N 3.34Å; L631-A633 PolarHBondContact O-N 3.15Å; A633-V635 VanDerWaalsContact C-N 3.3Å; A633-V635 PolarHBondContact O-N 3.02Å; A633-R636 PolarHBondContact O-N 3.24Å; A633-R636 VanDerWaalsContact O-N 3.12Å; A633-L637 WeakPolarHBondContact O-CB 3.49Å; A633-L637 VanDerWaalsContact O-CG 3.23Å; A633-L637 WeakPolarHBondContact O-CG 3.3Å; A633-L637 PolarHBondContact O-N 2.96Å
634F94.8Very high93.3Very high0 Ų041.8 Ų41.80%020%0.203CC..Hα-helixtrans-64.7-35.2179.6-702.9000112.2Y579 V582 S583 L586 A630 L631 L637 G638 V639 V640 L661Y579-F634 AromaticContact CD1-CE1 3.78Å; Y579-F634 HydrophobicContact CD1-CE1 3.78Å; Y579-F634 HydrophobicContact CD1-CZ 4.36Å; Y579-F634 HydrophobicContact CE1-CE1 4.38Å; V582-F634 HydrophobicContact CB-CE2 3.99Å; V582-F634 HydrophobicContact CB-CZ 4.26Å; V582-F634 HydrophobicContact CG1-CD2 4.28Å; V582-F634 HydrophobicContact CG1-CE2 3.53Å; V582-F634 HydrophobicContact CG1-CZ 4.25Å; S583-F634 WeakPolarHBondContact OG-CZ 3.28Å; L586-F634 HydrophobicContact CD1-CD2 3.51Å; L586-F634 HydrophobicContact CD1-CE2 3.7Å; A630-F634 WeakPolarHBondContact O-CB 3.27Å; A630-F634 VanDerWaalsContact O-CD1 3.26Å; A630-F634 WeakPolarHBondContact O-CD1 3.4Å; A630-F634 WeakPolarHBondContact O-CG 3.36Å; A630-F634 PolarHBondContact O-N 3.3Å; L631-F634 PolarHBondContact O-N 3.34Å; F634-L637 PolarHBondContact O-N 3.42Å; F634-G638 PolarHBondContact O-N 3.2Å; F634-G638 VanDerWaalsContact O-N 3.16Å; F634-V639 HydrophobicContact CB-CB 3.95Å; F634-V639 HydrophobicContact CB-CG1 4.14Å; F634-V639 HydrophobicContact CD2-CG1 4.17Å; F634-V639 HydrophobicContact CG-CB 4.29Å; F634-V639 HydrophobicContact CG-CG1 4.09Å; F634-V639 PolarHBondContact O-N 3.23Å; F634-V640 HydrophobicContact CB-CB 4.29Å; F634-V640 HydrophobicContact CB-CG2 3.92Å; F634-V640 HydrophobicContact CD2-CG2 4.43Å; F634-V640 PolarHBondContact O-N 3.39Å; F634-L661 HydrophobicContact CD1-CD2 3.7Å; F634-L661 HydrophobicContact CE1-CD2 3.3Å; F634-L661 HydrophobicContact CZ-CD2 3.81Å
635V94.2Very high92.8Very high39 Ų3944.7 Ų44.724%0.23622%0.22CC..Hα-helixtrans-64.9-44.1171.3172.80000111.7L631 A632 A633 L637 G638 V640 R642 F651L631-V635 WeakPolarHBondContact O-CG2 3.31Å; L631-V635 PolarHBondContact O-N 3.08Å; A632-V635 PolarHBondContact O-N 2.64Å; A633-V635 VanDerWaalsContact C-N 3.3Å; A633-V635 PolarHBondContact O-N 3.02Å; V635-L637 VanDerWaalsContact C-N 3.3Å; V635-L637 PolarHBondContact O-N 3.47Å; V635-G638 PolarHBondContact O-N 3.33Å; V635-V640 WeakPolarHBondContact CA-O 3.48Å; V635-V640 HydrophobicContact CG2-CB 4.17Å; V635-V640 HydrophobicContact CG2-CG1 4.15Å; V635-R642 HydrophobicContact CG1-CB 4.03Å; V635-R642 HydrophobicContact CG2-CB 4.32Å; V635-F651 HydrophobicContact CG2-CD1 4.01Å; V635-F651 HydrophobicContact CG2-CE1 3.94Å
636R93.1Very high91.8Very high95 Ų9550.3 Ų50.336%0.35825%0.251SS..Hα-helixtrans-64.5-35.4177.1178.2178.257.4-91.4-4.8112.4N518 S521 D522 A632 A633 G638N518-R636 PolarHBondContact O-NH2 2.73Å; N518-R636 PolarHBondContact OD1-NE 2.85Å; S521-R636 PolarHBondContact OG-NE 3.16Å; S521-R636 PolarHBondContact OG-NH2 3.16Å; D522-R636 IonicContact OD1-NH1 3.25Å; D522-R636 PolarHBondContact OD1-NH1 3.24Å; D522-R636 IonicContact OD2-CZ 2.67Å; D522-R636 VanDerWaalsContact OD2-CZ 3.24Å; D522-R636 IonicContact OD2-NH1 3.78Å; D522-R636 PolarHBondContact OD2-NH1 3.03Å; D522-R636 IonicContact OD2-NH2 3.45Å; D522-R636 PolarHBondContact OD2-NH2 3.03Å; A632-R636 PolarHBondContact O-N 3.35Å; A633-R636 PolarHBondContact O-N 3.24Å; A633-R636 VanDerWaalsContact O-N 3.12Å; R636-G638 VanDerWaalsContact C-N 3.3Å
637L91.6Very high90.7Very high18 Ų1856.5 Ų56.59%0.09428%0.284CS..THydrogen-bonded Turntrans-83.5-2.1-179.1-65.1173.3000113.5N518 V519 A633 F634 V635 V639 L661 L679N518-L637 VanDerWaalsContact ND2-CD2 3.33Å; N518-L637 WeakPolarHBondContact ND2-CD2 3.27Å; V519-L637 HydrophobicContact CG2-CD1 3.95Å; A633-L637 WeakPolarHBondContact O-CB 3.49Å; A633-L637 VanDerWaalsContact O-CG 3.23Å; A633-L637 WeakPolarHBondContact O-CG 3.3Å; A633-L637 PolarHBondContact O-N 2.96Å; F634-L637 PolarHBondContact O-N 3.42Å; V635-L637 VanDerWaalsContact C-N 3.3Å; V635-L637 PolarHBondContact O-N 3.47Å; L637-V639 HydrophobicContact CB-CG2 4.11Å; L637-V639 PolarHBondContact O-N 2.96Å; L637-L661 HydrophobicContact CD1-CD1 4.4Å; L637-L679 HydrophobicContact CB-CD1 3.88Å; L637-L679 HydrophobicContact CD1-CD1 4.01Å; L637-L679 HydrophobicContact CD2-CD1 4.21Å; L637-L679 HydrophobicContact CG-CD1 4.25Å
638G90.9Very high89.9Confident36 Ų3661.6 Ų61.637%0.37131%0.311SS..THydrogen-bonded Turntrans74.312.5-179.100000114.7F634 V635 R636 N654F634-G638 PolarHBondContact O-N 3.2Å; F634-G638 VanDerWaalsContact O-N 3.16Å; V635-G638 PolarHBondContact O-N 3.33Å; R636-G638 VanDerWaalsContact C-N 3.3Å; G638-N654 PolarHBondContact O-ND2 3.23Å
639V91.6Very high89.4Confident0 Ų063.1 Ų63.10%032%0.315CS..SBendtrans-75.8-32.3176.1174.70000110.9F634 L637 N654 A657 T658 L661 L679F634-V639 HydrophobicContact CB-CB 3.95Å; F634-V639 HydrophobicContact CB-CG1 4.14Å; F634-V639 HydrophobicContact CD2-CG1 4.17Å; F634-V639 HydrophobicContact CG-CB 4.29Å; F634-V639 HydrophobicContact CG-CG1 4.09Å; F634-V639 PolarHBondContact O-N 3.23Å; L637-V639 HydrophobicContact CB-CG2 4.11Å; L637-V639 PolarHBondContact O-N 2.96Å; V639-N654 WeakPolarHBondContact O-CB 3.28Å; V639-N654 PolarHBondContact O-N 3.47Å; V639-A657 HydrophobicContact CG2-CB 4.31Å; V639-T658 HydrophobicContact CG1-CG2 4.13Å; V639-T658 VanDerWaalsContact CG1-OG1 3.24Å; V639-T658 WeakPolarHBondContact CG1-OG1 3.4Å; V639-L661 HydrophobicContact CG1-CD2 4.39Å; V639-L661 HydrophobicContact CG2-CB 4.23Å; V639-L661 HydrophobicContact CG2-CD2 3.98Å; V639-L679 HydrophobicContact CG2-CD1 4.3Å
640V92.6Very high89.3Confident1 Ų163.2 Ų63.21%0.00632%0.317CS..EExtended strand (participates in β ladder)trans-128.2129.5175.6175.70000109L586 F594 L631 F634 V635 F651 S652L586-V640 HydrophobicContact CD1-CG2 3.91Å; F594-V640 HydrophobicContact CZ-CG1 4.42Å; L631-V640 HydrophobicContact CD1-CG1 4.21Å; F634-V640 HydrophobicContact CB-CB 4.29Å; F634-V640 HydrophobicContact CB-CG2 3.92Å; F634-V640 HydrophobicContact CD2-CG2 4.43Å; F634-V640 PolarHBondContact O-N 3.39Å; V635-V640 WeakPolarHBondContact CA-O 3.48Å; V635-V640 HydrophobicContact CG2-CB 4.17Å; V635-V640 HydrophobicContact CG2-CG1 4.15Å; V640-F651 HydrophobicContact CG1-CB 3.69Å; V640-F651 HydrophobicContact CG1-CD1 3.86Å; V640-F651 HydrophobicContact CG1-CG 4.22Å; V640-S652 CarbonylContact C-O 3.51Å; V640-S652 WeakPolarHBondContact CA-O 3.43Å
641E91.6Very high89.1Confident96 Ų9663.8 Ų63.845%0.44932%0.32SS..EExtended strand (participates in β ladder)trans-86.1137.6172.6-64.8-173.3168.300110.5K643 F651 S652E641-K643 WeakPolarHBondContact OE2-CE 3.36Å; E641-K643 IonicContact OE2-NZ 2.6Å; E641-K643 PolarHBondContact OE2-NZ 3.32Å; E641-F651 VanDerWaalsContact O-CA 3.25Å; E641-F651 WeakPolarHBondContact O-CA 3.39Å; E641-S652 PolarHBondContact N-O 3.23Å; E641-S652 PolarHBondContact O-N 3.15Å
642R92.4Very high88.9Confident150 Ų15064.2 Ų64.257%0.56632%0.323SS*.EExtended strand (participates in β ladder)trans-108.1117.9175.5-176.4-178.468.3-178-1110.4V635 Y649 F651V635-R642 HydrophobicContact CG1-CB 4.03Å; V635-R642 HydrophobicContact CG2-CB 4.32Å; R642-Y649 HydrophobicContact CG-CD1 3.86Å; R642-Y649 HydrophobicContact CG-CG 4.37Å; R642-F651 HydrophobicContact CB-CD1 4.07Å; R642-F651 HydrophobicContact CB-CE1 3.94Å; R642-F651 HydrophobicContact CG-CD1 4.13Å; R642-F651 HydrophobicContact CG-CE1 3.64Å; R642-F651 HydrophobicContact CG-CZ 4.18Å
643K90.3Very high88.8Confident104 Ų10464 Ų6445%0.45232%0.317SS..EExtended strand (participates in β ladder)trans-115144.7176.7-66.8171.5-174.7152.70110.1E641 Y649 V650E641-K643 WeakPolarHBondContact OE2-CE 3.36Å; E641-K643 IonicContact OE2-NZ 2.6Å; E641-K643 PolarHBondContact OE2-NZ 3.32Å; K643-Y649 WeakPolarHBondContact O-CA 3.47Å; K643-V650 PolarHBondContact N-O 2.79Å; K643-V650 PolarHBondContact O-N 3.17Å
644K87.4Confident88.6Confident132 Ų13266.9 Ų66.957%0.57433%0.332SS*.EExtended strand (participates in β ladder)trans-102118.3176.9-169.7-179.2177.4-172.10109N648 Y649K644-N648 CarbonylContact C-O 3.52Å; K644-N648 WeakPolarHBondContact CA-O 3.39Å; K644-Y649 HydrophobicContact CB-CD1 4.08Å; K644-Y649 HydrophobicContact CB-CE1 3.96Å; K644-Y649 HydrophobicContact CD-CE1 4.16Å; K644-Y649 HydrophobicContact CG-CD1 4.27Å; K644-Y649 HydrophobicContact CG-CE1 4Å
645V84Confident88.2Confident70 Ų7073.3 Ų73.342%0.42436%0.363SS..EExtended strand (participates in β ladder)trans-129.8124.3-179.3-174.70000108N647 N648 V650V645-N647 VanDerWaalsContact C-N 3.31Å; V645-N647 PolarHBondContact O-N 2.72Å; V645-N647 VanDerWaalsContact O-N 3.17Å; V645-N648 PolarHBondContact N-O 2.73Å; V645-N648 CarbonylContact O-C 3.41Å; V645-N648 WeakPolarHBondContact O-CA 3.4Å; V645-N648 PolarHBondContact O-N 2.8Å; V645-V650 HydrophobicContact CB-CG2 4.18Å; V645-V650 HydrophobicContact CG2-CG2 4.14Å
646D71.4Confident87.9Confident149 Ų14976.1 Ų76.180%0.79738%0.382SS*.THydrogen-bonded Turntrans47.746.9176.5-58.2-32.6000114.9N648D646-N648 PolarHBondContact O-N 2.79Å; D646-N648 VanDerWaalsContact O-N 3.12Å
647N71.8Confident87.7Confident134 Ų13472.1 Ų72.172%0.71737%0.369SS*.THydrogen-bonded Turntrans64.21.5-174.7-77.7-26.5000116.7V645V645-N647 VanDerWaalsContact C-N 3.31Å; V645-N647 PolarHBondContact O-N 2.72Å; V645-N647 VanDerWaalsContact O-N 3.17Å
648N77.9Confident87.5Confident107 Ų10771.2 Ų71.257%0.57236%0.364SS*.EExtended strand (participates in β ladder)trans-101.6156.1170.2-67.8-39.5000111.1K644 V645 D646K644-N648 CarbonylContact C-O 3.52Å; K644-N648 WeakPolarHBondContact CA-O 3.39Å; V645-N648 PolarHBondContact N-O 2.73Å; V645-N648 CarbonylContact O-C 3.41Å; V645-N648 WeakPolarHBondContact O-CA 3.4Å; V645-N648 PolarHBondContact O-N 2.8Å; D646-N648 PolarHBondContact O-N 2.79Å; D646-N648 VanDerWaalsContact O-N 3.12Å
649Y86.4Confident87.4Confident113 Ų11371.7 Ų71.744%0.44336%0.362SS..EExtended strand (participates in β ladder)trans-97.6128.9171.2-66.1-74.4000109.3R642 K643 K644R642-Y649 HydrophobicContact CG-CD1 3.86Å; R642-Y649 HydrophobicContact CG-CG 4.37Å; K643-Y649 WeakPolarHBondContact O-CA 3.47Å; K644-Y649 HydrophobicContact CB-CD1 4.08Å; K644-Y649 HydrophobicContact CB-CE1 3.96Å; K644-Y649 HydrophobicContact CD-CE1 4.16Å; K644-Y649 HydrophobicContact CG-CD1 4.27Å; K644-Y649 HydrophobicContact CG-CE1 4Å
650V91.8Very high87.2Confident34 Ų3474.7 Ų74.721%0.20638%0.375CS..EExtended strand (participates in β ladder)trans-113.5142.7174.5-1760000107.8C593 K643 V645C593-V650 HydrophobicContact CB-CG1 3.57Å; K643-V650 PolarHBondContact N-O 2.79Å; K643-V650 PolarHBondContact O-N 3.17Å; V645-V650 HydrophobicContact CB-CG2 4.18Å; V645-V650 HydrophobicContact CG2-CG2 4.14Å
651F92.6Very high87Confident12 Ų1274.7 Ų74.75%0.05338%0.375CS..EExtended strand (participates in β ladder)trans-120.2136.9-175-61-88.3000109.9C593 F594 E596 L631 V635 V640 E641 R642C593-F651 CarbonylContact C-O 3.47Å; C593-F651 VanDerWaalsContact CA-O 3.27Å; C593-F651 WeakPolarHBondContact CA-O 3.46Å; F594-F651 HydrophobicContact CD2-CB 3.86Å; F594-F651 HydrophobicContact CD2-CD2 4.36Å; F594-F651 HydrophobicContact CD2-CG 4.49Å; F594-F651 HydrophobicContact CE1-CB 4.36Å; F594-F651 HydrophobicContact CE2-CB 3.47Å; F594-F651 VanDerWaalsContact CE2-CB 3.47Å; F594-F651 HydrophobicContact CE2-CD2 4.29Å; F594-F651 HydrophobicContact CE2-CG 4.07Å; F594-F651 HydrophobicContact CG-CB 4.48Å; F594-F651 HydrophobicContact CZ-CB 3.74Å; F594-F651 PolarHBondContact N-O 3.32Å; F594-F651 PolarHBondContact O-N 2.99Å; E596-F651 HydrophobicContact CB-CE2 4Å; L631-F651 HydrophobicContact CD1-CD1 4.19Å; L631-F651 HydrophobicContact CD1-CE1 4.48Å; L631-F651 HydrophobicContact CD1-CG 4.49Å; L631-F651 HydrophobicContact CD2-CE1 4.22Å; L631-F651 HydrophobicContact CD2-CE2 4.27Å; L631-F651 HydrophobicContact CD2-CZ 4.08Å; L631-F651 HydrophobicContact CG-CE1 4.36Å; V635-F651 HydrophobicContact CG2-CD1 4.01Å; V635-F651 HydrophobicContact CG2-CE1 3.94Å; V640-F651 HydrophobicContact CG1-CB 3.69Å; V640-F651 HydrophobicContact CG1-CD1 3.86Å; V640-F651 HydrophobicContact CG1-CG 4.22Å; E641-F651 VanDerWaalsContact O-CA 3.25Å; E641-F651 WeakPolarHBondContact O-CA 3.39Å; R642-F651 HydrophobicContact CB-CD1 4.07Å; R642-F651 HydrophobicContact CB-CE1 3.94Å; R642-F651 HydrophobicContact CG-CD1 4.13Å; R642-F651 HydrophobicContact CG-CE1 3.64Å; R642-F651 HydrophobicContact CG-CZ 4.18Å
652S91.4Very high86.8Confident16 Ų1672.5 Ų72.511%0.11236%0.364CS..EExtended strand (participates in β ladder)trans-126.4141.5175.357.30000110.7D592 V640 E641D592-S652 WeakPolarHBondContact O-CB 3.27Å; V640-S652 CarbonylContact C-O 3.51Å; V640-S652 WeakPolarHBondContact CA-O 3.43Å; E641-S652 PolarHBondContact N-O 3.23Å; E641-S652 PolarHBondContact O-N 3.15Å
653V91.9Very high86.5Confident38 Ų3869 Ų6923%0.2335%0.354CS..EExtended strand (participates in β ladder)trans-84.3137.4-174.5-174.30000110.8L586 F594 T658L586-V653 HydrophobicContact CB-CG1 4.23Å; L586-V653 HydrophobicContact CB-CG2 4.29Å; L586-V653 HydrophobicContact CD2-CG2 4Å; F594-V653 HydrophobicContact CE1-CG2 3.75Å; V653-T658 WeakPolarHBondContact CG1-OG1 3.39Å
654N90.5Very high86.2Confident60 Ų6064.2 Ų64.232%0.32133%0.334SS..  trans-97.595.6165.9-179.4-19.5000108.4G638 V639 P656 A657 T658G638-N654 PolarHBondContact O-ND2 3.23Å; V639-N654 WeakPolarHBondContact O-CB 3.28Å; V639-N654 PolarHBondContact O-N 3.47Å; N654-P656 VanDerWaalsContact OD1-CD 3.29Å; N654-P656 WeakPolarHBondContact OD1-CD 3.19Å; N654-A657 HydrophobicContact CB-CB 4.06Å; N654-A657 PolarHBondContact O-N 3.31Å; N654-A657 PolarHBondContact OD1-N 2.99Å; N654-T658 WeakPolarHBondContact O-CB 3.39Å; N654-T658 PolarHBondContact O-N 3.5Å; N654-T658 PolarHBondContact O-OG1 3.31Å
655E87.3Confident86.1Confident136 Ų13658 Ų5864%0.63631%0.307SS*.Hα-helixtrans-55.3-48.9-174.5-72.6179.8-172.900113.7A657 T658 S659E655-A657 PolarHBondContact O-N 2.7Å; E655-T658 PolarHBondContact O-N 2.96Å; E655-S659 PolarHBondContact O-N 3.13Å
656P88.3Confident85.7Confident98 Ų9856.1 Ų56.164%0.63630%0.302SS*.Hα-helixtrans-56.7-45.2176.3-26.532000113.8N654 T658 K660N654-P656 VanDerWaalsContact OD1-CD 3.29Å; N654-P656 WeakPolarHBondContact OD1-CD 3.19Å; P656-T658 VanDerWaalsContact C-N 3.33Å; P656-K660 WeakPolarHBondContact O-CB 3.13Å; P656-K660 PolarHBondContact O-N 2.92Å; P656-K660 VanDerWaalsContact O-N 3.07Å
657A87.9Confident85.5Confident10 Ų1052.1 Ų52.18%0.08328%0.284CS..Hα-helixtrans-67.8-36.117900000111.7V639 N654 E655 L661V639-A657 HydrophobicContact CG2-CB 4.31Å; N654-A657 HydrophobicContact CB-CB 4.06Å; N654-A657 PolarHBondContact O-N 3.31Å; N654-A657 PolarHBondContact OD1-N 2.99Å; E655-A657 PolarHBondContact O-N 2.7Å; A657-L661 WeakPolarHBondContact O-CB 3.42Å; A657-L661 PolarHBondContact O-N 3.28Å
658T87.9Confident84.8Confident0 Ų053.9 Ų53.90%029%0.286CS..Hα-helixtrans-66.8-45.2177.5-51.90000111.5L586 L587 V639 V653 N654 E655 P656 L661 Q662L586-T658 HydrophobicContact CB-CG2 4.18Å; L587-T658 HydrophobicContact CD1-CG2 4.32Å; L587-T658 HydrophobicContact CD2-CG2 3.88Å; L587-T658 HydrophobicContact CG-CG2 3.73Å; V639-T658 HydrophobicContact CG1-CG2 4.13Å; V639-T658 VanDerWaalsContact CG1-OG1 3.24Å; V639-T658 WeakPolarHBondContact CG1-OG1 3.4Å; V653-T658 WeakPolarHBondContact CG1-OG1 3.39Å; N654-T658 WeakPolarHBondContact O-CB 3.39Å; N654-T658 PolarHBondContact O-N 3.5Å; N654-T658 PolarHBondContact O-OG1 3.31Å; E655-T658 PolarHBondContact O-N 2.96Å; P656-T658 VanDerWaalsContact C-N 3.33Å; T658-L661 PolarHBondContact O-N 3.3Å; T658-Q662 WeakPolarHBondContact O-CB 3.42Å; T658-Q662 PolarHBondContact O-N 3.28Å
659S87.8Confident83.8Confident46 Ų4651.5 Ų51.532%0.32228%0.275SS..Hα-helixtrans-61.3-46.9176-175.50000111.2E655 L661 Q662 E663E655-S659 PolarHBondContact O-N 3.13Å; S659-L661 PolarHBondContact O-N 3.39Å; S659-Q662 WeakPolarHBondContact O-CB 3.36Å; S659-Q662 PolarHBondContact O-N 2.98Å; S659-E663 WeakPolarHBondContact O-CG 3.48Å; S659-E663 PolarHBondContact O-N 2.91Å
660K87.9Confident82.3Confident63 Ų6349.7 Ų49.727%0.27428%0.279SS..Hα-helixtrans-59.3-44.4175.9-177.9176.8166.6-166.20112.3P656 E663 M664 K678 L679P656-K660 WeakPolarHBondContact O-CB 3.13Å; P656-K660 PolarHBondContact O-N 2.92Å; P656-K660 VanDerWaalsContact O-N 3.07Å; K660-E663 PolarHBondContact O-N 2.91Å; K660-M664 HydrophobicContact CG-SD 4.14Å; K660-M664 WeakPolarHBondContact O-CB 3.44Å; K660-M664 VanDerWaalsContact O-CG 3.24Å; K660-M664 WeakPolarHBondContact O-CG 3.44Å; K660-M664 PolarHBondContact O-N 3.43Å; K660-K678 PolarHBondContact NZ-O 3.47Å; K660-L679 HydrophobicContact CB-CD2 4.13Å; K660-L679 HydrophobicContact CD-CD2 3.98Å; K660-L679 HydrophobicContact CG-CD2 3.88Å; K660-L679 PolarHBondContact NZ-OXT 2.93Å
661L88.6Confident80.6Confident0 Ų048.3 Ų48.30%027%0.27CS..Hα-helixtrans-61.6-45.4176176.270.3000111.3F515 V519 F634 L637 V639 A657 T658 S659 E663 M664 L665 L679F515-L661 HydrophobicContact CE2-CD1 4.04Å; F515-L661 HydrophobicContact CZ-CD1 3.7Å; V519-L661 HydrophobicContact CG2-CD1 4.38Å; F634-L661 HydrophobicContact CD1-CD2 3.7Å; F634-L661 HydrophobicContact CE1-CD2 3.3Å; F634-L661 HydrophobicContact CZ-CD2 3.81Å; L637-L661 HydrophobicContact CD1-CD1 4.4Å; V639-L661 HydrophobicContact CG1-CD2 4.39Å; V639-L661 HydrophobicContact CG2-CB 4.23Å; V639-L661 HydrophobicContact CG2-CD2 3.98Å; A657-L661 WeakPolarHBondContact O-CB 3.42Å; A657-L661 PolarHBondContact O-N 3.28Å; T658-L661 PolarHBondContact O-N 3.3Å; S659-L661 PolarHBondContact O-N 3.39Å; L661-E663 VanDerWaalsContact C-N 3.33Å; L661-E663 PolarHBondContact O-N 2.92Å; L661-M664 PolarHBondContact O-N 3.5Å; L661-L665 HydrophobicContact CD1-CD1 4.03Å; L661-L665 HydrophobicContact CD1-CG 4.15Å; L661-L665 HydrophobicContact CD2-CD1 4.45Å; L661-L665 HydrophobicContact CG-CD1 3.98Å; L661-L665 HydrophobicContact CG-CG 4.44Å; L661-L665 WeakPolarHBondContact O-CB 3.48Å; L661-L665 WeakPolarHBondContact O-CG 3.35Å; L661-L665 PolarHBondContact O-N 3.47Å; L661-L679 HydrophobicContact CB-CD1 4.28Å; L661-L679 HydrophobicContact CB-CD2 4.06Å; L661-L679 HydrophobicContact CD1-CD1 3.8Å
662Q87.2Confident78.4Confident50 Ų5048.5 Ų48.523%0.23428%0.275CS..Hα-helixtrans-59.9-43.6179-171.3-159.218.500111.4T658 S659 G666T658-Q662 WeakPolarHBondContact O-CB 3.42Å; T658-Q662 PolarHBondContact O-N 3.28Å; S659-Q662 WeakPolarHBondContact O-CB 3.36Å; S659-Q662 PolarHBondContact O-N 2.98Å; Q662-G666 PolarHBondContact O-N 2.76Å
663E85.5Confident76.3Confident76 Ų7654.8 Ų54.836%0.35530%0.301SS..Hα-helixtrans-65.6-43.3176.9-72.8-17817400112.7S659 K660 L661 G666 C667 K668 T669S659-E663 WeakPolarHBondContact O-CG 3.48Å; S659-E663 PolarHBondContact O-N 2.91Å; K660-E663 PolarHBondContact O-N 2.91Å; L661-E663 VanDerWaalsContact C-N 3.33Å; L661-E663 PolarHBondContact O-N 2.92Å; E663-G666 CarbonylContact O-C 3.6Å; E663-G666 PolarHBondContact O-N 3.33Å; E663-C667 PolarHBondContact O-N 3.25Å; E663-K668 HydrophobicContact CB-CB 4.34Å; E663-K668 PolarHBondContact O-N 2.88Å; E663-T669 WeakPolarHBondContact CB-OG1 3.47Å; E663-T669 PolarHBondContact OE2-OG1 3.35Å
664M84.8Confident73.8Confident5 Ų558 Ų583%0.02532%0.323CS..Hα-helixtrans-61.2-47.9176.9-73.8176.375.800110.7M500 F515 K660 L661 G666 C667 I671 L679M500-M664 WeakPolarHBondContact CE-O 3.45Å; F515-M664 HydrophobicContact CD1-CE 4.27Å; F515-M664 HydrophobicContact CD2-CE 3.55Å; F515-M664 HydrophobicContact CE1-CB 4.26Å; F515-M664 HydrophobicContact CE1-CE 4.22Å; F515-M664 HydrophobicContact CE2-CE 3.49Å; F515-M664 VanDerWaalsContact CE2-CE 3.49Å; F515-M664 HydrophobicContact CE2-SD 4.07Å; F515-M664 HydrophobicContact CG-CE 3.95Å; F515-M664 HydrophobicContact CZ-CB 3.95Å; F515-M664 HydrophobicContact CZ-CE 3.83Å; F515-M664 HydrophobicContact CZ-SD 4.29Å; K660-M664 HydrophobicContact CG-SD 4.14Å; K660-M664 WeakPolarHBondContact O-CB 3.44Å; K660-M664 VanDerWaalsContact O-CG 3.24Å; K660-M664 WeakPolarHBondContact O-CG 3.44Å; K660-M664 PolarHBondContact O-N 3.43Å; L661-M664 PolarHBondContact O-N 3.5Å; M664-G666 VanDerWaalsContact C-N 3.26Å; M664-G666 PolarHBondContact O-N 2.89Å; M664-C667 PolarHBondContact O-N 2.99Å; M664-I671 HydrophobicContact CB-CD1 4.25Å; M664-I671 HydrophobicContact CB-CG1 4.33Å; M664-I671 HydrophobicContact CE-CB 4.43Å; M664-I671 HydrophobicContact CE-CD1 4.26Å; M664-I671 HydrophobicContact CE-CG1 3.83Å; M664-I671 HydrophobicContact CE-CG2 3.94Å; M664-I671 HydrophobicContact CG-CG1 4.29Å; M664-L679 HydrophobicContact SD-CD2 4.28Å
665L84.6Confident71.3Confident2 Ų259.3 Ų59.31%0.0134%0.342CS..Hα-helixtrans-66.1-29.3176.4-70.2174.5000112.5F515 L516 V576 Q580 L661 C667F515-L665 HydrophobicContact CE1-CD2 4.09Å; F515-L665 HydrophobicContact CZ-CD2 4.37Å; L516-L665 HydrophobicContact CD2-CD2 4.47Å; V576-L665 HydrophobicContact CG1-CD2 4.45Å; Q580-L665 HydrophobicContact CG-CB 3.77Å; Q580-L665 HydrophobicContact CG-CD1 4.43Å; Q580-L665 VanDerWaalsContact NE2-C 3.28Å; Q580-L665 PolarHBondContact NE2-O 3.23Å; L661-L665 HydrophobicContact CD1-CD1 4.03Å; L661-L665 HydrophobicContact CD1-CG 4.15Å; L661-L665 HydrophobicContact CD2-CD1 4.45Å; L661-L665 HydrophobicContact CG-CD1 3.98Å; L661-L665 HydrophobicContact CG-CG 4.44Å; L661-L665 WeakPolarHBondContact O-CB 3.48Å; L661-L665 WeakPolarHBondContact O-CG 3.35Å; L661-L665 PolarHBondContact O-N 3.47Å; L665-C667 VanDerWaalsContact C-N 3.31Å; L665-C667 PolarHBondContact O-N 2.9Å
666G76.1Confident69.1Low30 Ų3055.1 Ų55.131%0.30933%0.326SS..THydrogen-bonded Turntrans-84.67.4179.700000115.3Q662 E663 M664 K668Q662-G666 PolarHBondContact O-N 2.76Å; E663-G666 CarbonylContact O-C 3.6Å; E663-G666 PolarHBondContact O-N 3.33Å; M664-G666 VanDerWaalsContact C-N 3.26Å; M664-G666 PolarHBondContact O-N 2.89Å; G666-K668 PolarHBondContact O-N 3.12Å; G666-K668 VanDerWaalsContact O-N 3.11Å
667C66.9Low66.7Low64 Ų6451.9 Ų51.943%0.43231%0.307SS..THydrogen-bonded Turntrans57.619-175.3-52.50000114.5M500 E663 M664 L665M500-C667 VanDerWaalsContact CG-SG 3.58Å; E663-C667 PolarHBondContact O-N 3.25Å; M664-C667 PolarHBondContact O-N 2.99Å; L665-C667 VanDerWaalsContact C-N 3.31Å; L665-C667 PolarHBondContact O-N 2.9Å
668K58Low64.7Low172 Ų17259.5 Ų59.575%0.74834%0.338SS*.SBendtrans-81.4-22.4-179.1-65.9-173.8179.4-178.60112.4E663 G666E663-K668 HydrophobicContact CB-CB 4.34Å; E663-K668 PolarHBondContact O-N 2.88Å; G666-K668 PolarHBondContact O-N 3.12Å; G666-K668 VanDerWaalsContact O-N 3.11Å
669T57.2Low62.7Low56 Ų5662.8 Ų62.834%0.34436%0.355SS..SBendtrans-129.1131.2-176.2-44.50000110E663 I671E663-T669 WeakPolarHBondContact CB-OG1 3.47Å; E663-T669 PolarHBondContact OE2-OG1 3.35Å; T669-I671 PolarHBondContact O-N 3.32Å
670S53.3Low61.4Low75 Ų7563.7 Ų63.752%0.52436%0.357SS..  trans-69.7123.1-176.766.60000111.6G672S670-G672 VanDerWaalsContact C-N 3.26Å; S670-G672 PolarHBondContact O-N 2.76Å
671I57.9Low60Low5 Ų563.7 Ų63.73%0.02636%0.362CS..  trans-79.2-9.4-178.9-58.1169.4000112.2M500 C512 F515 M664 T669 K673M500-I671 HydrophobicContact CE-CD1 3.95Å; C512-I671 HydrophobicContact CB-CB 4.35Å; C512-I671 HydrophobicContact CB-CG2 4.2Å; F515-I671 HydrophobicContact CB-CG2 4.27Å; F515-I671 HydrophobicContact CD1-CD1 3.92Å; F515-I671 HydrophobicContact CE1-CD1 4.1Å; M664-I671 HydrophobicContact CB-CD1 4.25Å; M664-I671 HydrophobicContact CB-CG1 4.33Å; M664-I671 HydrophobicContact CE-CB 4.43Å; M664-I671 HydrophobicContact CE-CD1 4.26Å; M664-I671 HydrophobicContact CE-CG1 3.83Å; M664-I671 HydrophobicContact CE-CG2 3.94Å; M664-I671 HydrophobicContact CG-CG1 4.29Å; T669-I671 PolarHBondContact O-N 3.32Å; I671-K673 VanDerWaalsContact C-N 3.3Å; I671-K673 PolarHBondContact O-N 2.79Å
672G45.9Very low58.4Low16 Ų1667.2 Ų67.217%0.16538%0.382CS..  trans-69.66.4-165.800000119S670S670-G672 VanDerWaalsContact C-N 3.26Å; S670-G672 PolarHBondContact O-N 2.76Å
673K46.9Very low56.7Low148 Ų14868.2 Ų68.264%0.64339%0.39SS*.SBendtrans-109.4135.7169.7-68.7-177.4-179.1176.90110.3I671 A675 T676 A677I671-K673 VanDerWaalsContact C-N 3.3Å; I671-K673 PolarHBondContact O-N 2.79Å; K673-A675 PolarHBondContact O-N 3.39Å; K673-T676 PolarHBondContact N-OG1 2.71Å; K673-T676 PolarHBondContact O-N 3.05Å; K673-T676 PolarHBondContact O-OG1 3.31Å; K673-A677 PolarHBondContact O-N 2.71Å
674P39.8Very low54.9Low107 Ų10767.8 Ų67.870%0.69539%0.393SS*.THydrogen-bonded Turntrans-59.6-20.4178.518.6-28.9000113.6
675A37.8Very low53Low87 Ų8771.9 Ų71.972%0.71942%0.417SS*.THydrogen-bonded Turntrans-76.3-26.5171.700000114.2K673K673-A675 PolarHBondContact O-N 3.39Å
676T41Very low50.7Low48 Ų4876.9 Ų76.929%0.29445%0.446SS..THydrogen-bonded Turntrans-89.8-14.8177.743.90000113.3K673K673-T676 PolarHBondContact N-OG1 2.71Å; K673-T676 PolarHBondContact O-N 3.05Å; K673-T676 PolarHBondContact O-OG1 3.31Å
677A39.1Very low48.7Very low29 Ų2980.5 Ų80.524%0.2446%0.457CS..SBendtrans-81.1-12.5-179.300000114.5K673K673-A677 PolarHBondContact O-N 2.71Å
678K45.3Very low47.2Very low170 Ų17081.9 Ų81.974%0.73946%0.459SS*.  trans-94.2121.2169.7-72.6-175.7177-178.70108.3K660K660-K678 PolarHBondContact NZ-O 3.47Å
679L44.8Very low46.3Very low70 Ų7073.7 Ų73.737%0.36643%0.432SS..  trans-63.90173.7-88.3161.1000110.1F515 L637 V639 K660 L661 M664F515-L679 HydrophobicContact CE2-CD1 4.12Å; L637-L679 HydrophobicContact CB-CD1 3.88Å; L637-L679 HydrophobicContact CD1-CD1 4.01Å; L637-L679 HydrophobicContact CD2-CD1 4.21Å; L637-L679 HydrophobicContact CG-CD1 4.25Å; V639-L679 HydrophobicContact CG2-CD1 4.3Å; K660-L679 HydrophobicContact CB-CD2 4.13Å; K660-L679 HydrophobicContact CD-CD2 3.98Å; K660-L679 HydrophobicContact CG-CD2 3.88Å; K660-L679 PolarHBondContact NZ-OXT 2.93Å; L661-L679 HydrophobicContact CB-CD1 4.28Å; L661-L679 HydrophobicContact CB-CD2 4.06Å; L661-L679 HydrophobicContact CD1-CD1 3.8Å; M664-L679 HydrophobicContact SD-CD2 4.28Å

Retrieved 679 of 679 residues in 242.9 ms (Link to these results)

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