A0A087XRQ9_POEFO Loading...

Torsin family 2 member A

AlphaFold DB , UniProt , Accession A0A087XRQ9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 314 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
1M46.7Very low47Very low241 Ų241122.7 Ų122.7100%1.18769%0.689SS**  0640-76.8169.155.300110.5
2L46.3Very low46.9Very low175 Ų175121.9 Ų121.992%0.91668%0.681SS**  trans-142.221.9-170.7-113.8148.8000113.4
3A46.6Very low46.7Very low78 Ų78121.6 Ų121.665%0.64568%0.676SS**SBendtrans-134.817.9-170.900000115.4
4V48.8Very low46.5Very low109 Ų109121.6 Ų121.666%0.66167%0.673SS**SBendtrans-109.3-23.3-176.1-1670000113.2
5L44.4Very low46.2Very low156 Ų156117.8 Ų117.882%0.81766%0.658SS**Hα-helixtrans-71.7-38.8177.8-101.488.1000115.8A7L5-A7 VanDerWaalsContact C-N 3.34Å; L5-A7 PolarHBondContact O-N 3.36Å
6P48.4Very low46Very low81 Ų81114.3 Ų114.353%0.52664%0.644SS.*Hα-helixtrans-77.7-20.7-176.727.8-29.3000112.9L10P6-L10 PolarHBondContact O-N 3.27Å
7A48.4Very low45.8Very low52 Ų52120.1 Ų120.143%0.4365%0.653SS.*Hα-helixtrans-72.3-36.8176.500000112.3L5 L9 L10 L11L5-A7 VanDerWaalsContact C-N 3.34Å; L5-A7 PolarHBondContact O-N 3.36Å; A7-L9 VanDerWaalsContact C-N 3.34Å; A7-L10 PolarHBondContact O-N 3.05Å; A7-L11 WeakPolarHBondContact O-CD1 3.48Å; A7-L11 PolarHBondContact O-N 3.36Å; A7-L11 VanDerWaalsContact O-N 3.07Å
8L47.7Very low45.7Very low113 Ų113118.4 Ų118.459%0.59265%0.65SS**Hα-helixtrans-68-34.1176.5-120.192.7000112.2L11 L12L8-L11 PolarHBondContact O-N 3.31Å; L8-L12 WeakPolarHBondContact O-CG 3.45Å; L8-L12 PolarHBondContact O-N 3.39Å; L8-L12 VanDerWaalsContact O-N 3.09Å
9L46.6Very low45.4Very low117 Ų117114.5 Ų114.561%0.61364%0.635SS**Hα-helixtrans-71.5-36.3177.5-14086.3000112A7 L12 L13A7-L9 VanDerWaalsContact C-N 3.34Å; L9-L12 PolarHBondContact O-N 3.06Å; L9-L13 WeakPolarHBondContact O-CG 3.4Å; L9-L13 PolarHBondContact O-N 3.35Å; L9-L13 VanDerWaalsContact O-N 3.14Å
10L47.3Very low45.3Very low111 Ų111112.9 Ų112.958%0.58163%0.631SS**Hα-helixtrans-67.2-38.8172.1-107.591000112.3P6 A7 L12 L13 L14P6-L10 PolarHBondContact O-N 3.27Å; A7-L10 PolarHBondContact O-N 3.05Å; L10-L12 VanDerWaalsContact C-N 3.34Å; L10-L12 PolarHBondContact O-N 3.21Å; L10-L13 PolarHBondContact O-N 2.93Å; L10-L14 WeakPolarHBondContact O-CD1 3.5Å; L10-L14 WeakPolarHBondContact O-CG 3.49Å; L10-L14 PolarHBondContact O-N 2.76Å
11L46.4Very low45.5Very low117 Ų117109.2 Ų109.261%0.61362%0.618SS**Hα-helixtrans-66.2-32.8176.2-92.4147000112.8A7 L8 S15A7-L11 WeakPolarHBondContact O-CD1 3.48Å; A7-L11 PolarHBondContact O-N 3.36Å; A7-L11 VanDerWaalsContact O-N 3.07Å; L8-L11 PolarHBondContact O-N 3.31Å; L11-S15 PolarHBondContact O-N 3.38Å; L11-S15 PolarHBondContact O-OG 3.29Å
12L45.5Very low45.8Very low113 Ų113101.8 Ų101.859%0.59259%0.586SS**Hα-helixtrans-73.8-30173-78.7159.6000113L8 L9 L10 S15L8-L12 WeakPolarHBondContact O-CG 3.45Å; L8-L12 PolarHBondContact O-N 3.39Å; L8-L12 VanDerWaalsContact O-N 3.09Å; L9-L12 PolarHBondContact O-N 3.06Å; L10-L12 VanDerWaalsContact C-N 3.34Å; L10-L12 PolarHBondContact O-N 3.21Å; L12-S15 PolarHBondContact O-OG 3.44Å
13L44.3Very low46Very low118 Ų118100.5 Ų100.562%0.61857%0.573SS**Hα-helixtrans-75.6-30.4173.6-72.3163.5000112.1L9 L10 S16L9-L13 WeakPolarHBondContact O-CG 3.4Å; L9-L13 PolarHBondContact O-N 3.35Å; L9-L13 VanDerWaalsContact O-N 3.14Å; L10-L13 PolarHBondContact O-N 2.93Å; L13-S16 PolarHBondContact O-OG 2.84Å
14L44Very low46.3Very low121 Ų121101.9 Ų101.963%0.63457%0.566SS**Hα-helixtrans-77.4-20.6176.8-75.5155.7000113.8L10L10-L14 WeakPolarHBondContact O-CD1 3.5Å; L10-L14 WeakPolarHBondContact O-CG 3.49Å; L10-L14 PolarHBondContact O-N 2.76Å
15S41.3Very low46.5Very low65 Ų65104.6 Ų104.646%0.45557%0.569SS.*THydrogen-bonded Turntrans-92.41.7178.663.10000114.6L11 L12 P18L11-S15 PolarHBondContact O-N 3.38Å; L11-S15 PolarHBondContact O-OG 3.29Å; L12-S15 PolarHBondContact O-OG 3.44Å; S15-P18 VanDerWaalsContact O-CD 3.3Å; S15-P18 WeakPolarHBondContact O-CD 3.36Å; S15-P18 WeakPolarHBondContact O-CG 3.33Å
16S42.7Very low46.8Very low61 Ų61101.1 Ų101.143%0.42755%0.551SS.*Hα-helixtrans-79.4-14.4-177.962.80000114.7L13 C20L13-S16 PolarHBondContact O-OG 2.84Å; S16-C20 PolarHBondContact O-N 3.23Å
17R43.1Very low46.9Very low213 Ų213104.3 Ų104.380%0.80455%0.554SS**Hα-helixtrans-66.4-45.6-179.8-65.6-173.6178.5-171.3-0.4114.6
18P44.4Very low47.2Very low90 Ų90103.9 Ų103.958%0.58455%0.547SS*.Hα-helixtrans-71.6-29.5176.526.5-34.4000112.9S15 G21 V22S15-P18 VanDerWaalsContact O-CD 3.3Å; S15-P18 WeakPolarHBondContact O-CD 3.36Å; S15-P18 WeakPolarHBondContact O-CG 3.33Å; P18-G21 PolarHBondContact O-N 2.87Å; P18-V22 WeakPolarHBondContact O-CG2 3.47Å; P18-V22 PolarHBondContact O-N 3.2Å
19A39.8Very low47.2Very low45 Ų45102.3 Ų102.337%0.37255%0.546SS..Hα-helixtrans-66.3-42.2178.800000111.6G21 V22 F23A19-G21 VanDerWaalsContact C-N 3.33Å; A19-G21 PolarHBondContact O-N 3.46Å; A19-V22 PolarHBondContact O-N 3.46Å; A19-F23 VanDerWaalsContact O-CD2 3.29Å; A19-F23 WeakPolarHBondContact O-CD2 3.49Å; A19-F23 PolarHBondContact O-N 3.34Å
20C42.6Very low47.1Very low82 Ų82104.9 Ų104.955%0.55455%0.552SS**Hα-helixtrans-61.5-39.2177.9-160.50000112.4S16 Q24S16-C20 PolarHBondContact O-N 3.23Å; C20-Q24 VanDerWaalsContact O-CB 3.29Å; C20-Q24 WeakPolarHBondContact O-CB 3.37Å; C20-Q24 PolarHBondContact O-N 3.14Å
21G49.3Very low46.9Very low35 Ų35101 Ų10136%0.36154%0.535SS..Hα-helixtrans-69.1-32176.500000113.9P18 A19 K25P18-G21 PolarHBondContact O-N 2.87Å; A19-G21 VanDerWaalsContact C-N 3.33Å; A19-G21 PolarHBondContact O-N 3.46Å; G21-K25 WeakPolarHBondContact O-CB 3.33Å; G21-K25 WeakPolarHBondContact O-CG 3.36Å; G21-K25 PolarHBondContact O-N 3.45Å; G21-K25 VanDerWaalsContact O-N 3.1Å
22V53.5Low46.9Very low85 Ų85103 Ų10352%0.51555%0.546SS..Hα-helixtrans-73.5-43.3175.1173.50000110.9P18 A19 K25 L26P18-V22 WeakPolarHBondContact O-CG2 3.47Å; P18-V22 PolarHBondContact O-N 3.2Å; A19-V22 PolarHBondContact O-N 3.46Å; V22-K25 PolarHBondContact O-N 3.26Å; V22-L26 HydrophobicContact CG1-CD1 3.83Å; V22-L26 WeakPolarHBondContact O-CB 3.47Å; V22-L26 PolarHBondContact O-N 2.95Å
23F51.3Low47.2Very low149 Ų149101.2 Ų101.265%0.65454%0.543SS*.Hα-helixtrans-67.1-36.3175.6-85.1-76.2000112.8A19 L26 Y27A19-F23 VanDerWaalsContact O-CD2 3.29Å; A19-F23 WeakPolarHBondContact O-CD2 3.49Å; A19-F23 PolarHBondContact O-N 3.34Å; F23-L26 PolarHBondContact O-N 3.26Å; F23-Y27 WeakPolarHBondContact O-CB 3.32Å; F23-Y27 PolarHBondContact O-N 3.17Å
24Q52.1Low47.7Very low106 Ų10697 Ų9750%0.49552%0.522SS..Hα-helixtrans-66.7-43.8174-168.8160.9-3.600111.2C20 L26 Y27 C28C20-Q24 VanDerWaalsContact O-CB 3.29Å; C20-Q24 WeakPolarHBondContact O-CB 3.37Å; C20-Q24 PolarHBondContact O-N 3.14Å; Q24-L26 PolarHBondContact O-N 2.9Å; Q24-Y27 PolarHBondContact O-N 3.02Å; Q24-C28 WeakPolarHBondContact O-CB 3.43Å; Q24-C28 PolarHBondContact O-N 3.04Å; Q24-C28 PolarHBondContact O-SG 3.46Å
25K53Low48.6Very low166 Ų16694.8 Ų94.872%0.72251%0.511SS*.Hα-helixtrans-60.6-41.1172.7-79.6-179.1177.2-175.90113.2G21 V22 S29G21-K25 WeakPolarHBondContact O-CB 3.33Å; G21-K25 WeakPolarHBondContact O-CG 3.36Å; G21-K25 PolarHBondContact O-N 3.45Å; G21-K25 VanDerWaalsContact O-N 3.1Å; V22-K25 PolarHBondContact O-N 3.26Å; K25-S29 PolarHBondContact O-N 2.6Å; K25-S29 VanDerWaalsContact O-N 3.08Å
26L51.1Low50.2Low84 Ų8492.2 Ų92.244%0.4449%0.493SS..Hα-helixtrans-66.5-46.5175-85.1153.5000111.2V22 F23 Q24 C28 S29 F30V22-L26 HydrophobicContact CG1-CD1 3.83Å; V22-L26 WeakPolarHBondContact O-CB 3.47Å; V22-L26 PolarHBondContact O-N 2.95Å; F23-L26 PolarHBondContact O-N 3.26Å; Q24-L26 PolarHBondContact O-N 2.9Å; L26-C28 VanDerWaalsContact C-N 3.3Å; L26-C28 PolarHBondContact O-N 3.35Å; L26-S29 WeakPolarHBondContact O-CA 3.44Å; L26-S29 WeakPolarHBondContact O-CB 3.25Å; L26-S29 PolarHBondContact O-N 2.87Å; L26-F30 HydrophobicContact CD2-CE2 3.99Å; L26-F30 WeakPolarHBondContact O-CD2 3.38Å; L26-F30 PolarHBondContact O-N 3.45Å
27Y51.7Low52.1Low147 Ų14791.4 Ų91.458%0.57648%0.484SS*.Hα-helixtrans-60.2-40.1176.1-172.5-100.1000111.6F23 Q24 S29 F30 S31F23-Y27 WeakPolarHBondContact O-CB 3.32Å; F23-Y27 PolarHBondContact O-N 3.17Å; Q24-Y27 PolarHBondContact O-N 3.02Å; Y27-S29 VanDerWaalsContact C-N 3.29Å; Y27-S29 PolarHBondContact O-N 2.99Å; Y27-F30 PolarHBondContact O-N 3.4Å; Y27-S31 WeakPolarHBondContact O-CB 3.47Å; Y27-S31 PolarHBondContact O-N 3.03Å
28C52.7Low54.2Low44 Ų4482.1 Ų82.130%0.29745%0.45SS..Hα-helixtrans-62.3-33.9172.2-620000113.3Q24 L26 F30 C34Q24-C28 WeakPolarHBondContact O-CB 3.43Å; Q24-C28 PolarHBondContact O-N 3.04Å; Q24-C28 PolarHBondContact O-SG 3.46Å; L26-C28 VanDerWaalsContact C-N 3.3Å; L26-C28 PolarHBondContact O-N 3.35Å; C28-F30 VanDerWaalsContact C-N 3.26Å; C28-F30 PolarHBondContact O-N 3.45Å; C28-C34 WeakPolarHBondContact CA-SG 3.36Å; C28-C34 HydrophobicContact CB-CB 3.28Å; C28-C34 WeakPolarHBondContact CB-SG 2.98Å; C28-C34 WeakPolarHBondContact SG-CB 3.43Å; C28-C34 CovalentContact SG-SG 1.99Å; C28-C34 PolarHBondContact SG-SG 3.48Å
29S48.7Very low56.3Low79 Ų7984.2 Ų84.255%0.55245%0.45SS*.Hα-helixtrans-72.8-19.8178-175.70000113.1K25 L26 Y27K25-S29 PolarHBondContact O-N 2.6Å; K25-S29 VanDerWaalsContact O-N 3.08Å; L26-S29 WeakPolarHBondContact O-CA 3.44Å; L26-S29 WeakPolarHBondContact O-CB 3.25Å; L26-S29 PolarHBondContact O-N 2.87Å; Y27-S29 VanDerWaalsContact C-N 3.29Å; Y27-S29 PolarHBondContact O-N 2.99Å
30F43.9Very low58.8Low171 Ų17184.7 Ų84.775%0.7545%0.449SS*.Hα-helixtrans-112-7.4-176.9-69-69.5000113.9L26 Y27 C28L26-F30 HydrophobicContact CD2-CE2 3.99Å; L26-F30 WeakPolarHBondContact O-CD2 3.38Å; L26-F30 PolarHBondContact O-N 3.45Å; Y27-F30 PolarHBondContact O-N 3.4Å; C28-F30 VanDerWaalsContact C-N 3.26Å; C28-F30 PolarHBondContact O-N 3.45Å
31S43.3Very low61.2Low31 Ų3182.4 Ų82.422%0.21743%0.434CS..  trans-126.7132.6-176.1174.50000111.5Y27 S33Y27-S31 WeakPolarHBondContact O-CB 3.47Å; Y27-S31 PolarHBondContact O-N 3.03Å; S31-S33 PolarHBondContact O-N 3.5Å; S31-S33 WeakPolarHBondContact OG-CB 3.29Å; S31-S33 PolarHBondContact OG-N 3.43Å
32D46.8Very low63.3Low159 Ų15983 Ų8385%0.8543%0.428SS*.SBendtrans-65.11.2172.8-72.2-30.9000114
33S51.9Low65.3Low75 Ų7587.8 Ų87.852%0.52444%0.437SS..  trans-124.944.4-166.3169.70000112.1S31S31-S33 PolarHBondContact O-N 3.5Å; S31-S33 WeakPolarHBondContact OG-CB 3.29Å; S31-S33 PolarHBondContact OG-N 3.43Å
34C53.8Low67.4Low28 Ų2883.7 Ų83.719%0.18942%0.422CS..  trans-98.683.1167.8-119.50000111.7C28 C36C28-C34 WeakPolarHBondContact CA-SG 3.36Å; C28-C34 HydrophobicContact CB-CB 3.28Å; C28-C34 WeakPolarHBondContact CB-SG 2.98Å; C28-C34 WeakPolarHBondContact SG-CB 3.43Å; C28-C34 CovalentContact SG-SG 1.99Å; C28-C34 PolarHBondContact SG-SG 3.48Å; C34-C36 VanDerWaalsContact C-N 3.27Å; C34-C36 PolarHBondContact O-N 3.44Å; C34-C36 VanDerWaalsContact O-N 3.13Å; C34-C36 PolarHBondContact O-SG 2.91Å
35D63Low69.6Low75 Ų7578.9 Ų78.940%0.40140%0.399SS..  trans-88.465.9178.3-79.9-25.5000109.8D37 F38D35-D37 VanDerWaalsContact C-N 3.32Å; D35-D37 CarbonylContact O-C 3.51Å; D35-D37 WeakPolarHBondContact O-CA 3.27Å; D35-D37 PolarHBondContact O-N 2.93Å; D35-F38 HydrophobicContact CB-CB 3.99Å; D35-F38 HydrophobicContact CB-CD1 4.28Å; D35-F38 PolarHBondContact O-N 2.04Å
36C75.6Confident71.7Confident11 Ų1175.9 Ų75.97%0.07439%0.388CS..THydrogen-bonded Turntrans-14.465.1172.6-15.10000118.2C34 F38 F112 C146C34-C36 VanDerWaalsContact C-N 3.27Å; C34-C36 PolarHBondContact O-N 3.44Å; C34-C36 VanDerWaalsContact O-N 3.13Å; C34-C36 PolarHBondContact O-SG 2.91Å; C36-F38 PolarHBondContact O-N 3.48Å; C36-F38 VanDerWaalsContact O-N 3.12Å; C36-F112 HydrophobicContact CB-CD1 4.11Å; C36-F112 HydrophobicContact CB-CD2 3.58Å; C36-F112 HydrophobicContact CB-CE1 3.82Å; C36-F112 HydrophobicContact CB-CE2 3.24Å; C36-F112 HydrophobicContact CB-CG 4Å; C36-F112 HydrophobicContact CB-CZ 3.38Å; C36-F112 WeakPolarHBondContact O-CD2 3.48Å; C36-F112 WeakPolarHBondContact O-CE2 3.46Å; C36-C146 HydrophobicContact CB-CB 3.75Å; C36-C146 WeakPolarHBondContact CB-SG 3.02Å; C36-C146 WeakPolarHBondContact SG-CA 3.36Å; C36-C146 WeakPolarHBondContact SG-CB 3.39Å; C36-C146 CovalentContact SG-SG 2.02Å; C36-C146 PolarHBondContact SG-SG 3.32Å
37D82.7Confident73.9Confident44 Ų4479.2 Ų79.224%0.23540%0.395CS..THydrogen-bonded Turntrans55.915.4-167.2-165.341.6000115D35 K39 G105 S106D35-D37 VanDerWaalsContact C-N 3.32Å; D35-D37 CarbonylContact O-C 3.51Å; D35-D37 WeakPolarHBondContact O-CA 3.27Å; D35-D37 PolarHBondContact O-N 2.93Å; D37-K39 PolarHBondContact O-N 2.82Å; D37-K39 IonicContact OD1-NZ 2.73Å; D37-K39 PolarHBondContact OD1-NZ 2.94Å; D37-G105 PolarHBondContact O-N 3.45Å; D37-S106 PolarHBondContact OD2-N 3.15Å; D37-S106 VanDerWaalsContact OD2-N 3.16Å; D37-S106 PolarHBondContact OD2-OG 3.19Å
38F87.6Confident76Confident18 Ų1874.3 Ų74.38%0.07938%0.379CS..BIsolated β-bridgetrans-71112.8174.1-178.8-101.9000109.1D35 C36 P40 L71 L103 Y104 R148D35-F38 HydrophobicContact CB-CB 3.99Å; D35-F38 HydrophobicContact CB-CD1 4.28Å; D35-F38 PolarHBondContact O-N 2.04Å; C36-F38 PolarHBondContact O-N 3.48Å; C36-F38 VanDerWaalsContact O-N 3.12Å; F38-P40 HydrophobicContact CD1-CG 4.25Å; F38-P40 HydrophobicContact CE1-CB 4.23Å; F38-P40 HydrophobicContact CE1-CG 3.54Å; F38-P40 HydrophobicContact CZ-CB 3.92Å; F38-P40 HydrophobicContact CZ-CG 3.76Å; F38-L71 HydrophobicContact CE1-CD2 4.31Å; F38-L71 HydrophobicContact CZ-CD1 4.45Å; F38-L71 HydrophobicContact CZ-CD2 3.56Å; F38-L103 HydrophobicContact CD2-CB 4.46Å; F38-L103 WeakPolarHBondContact CD2-O 3.07Å; F38-L103 HydrophobicContact CE2-CB 4.03Å; F38-L103 HydrophobicContact CE2-CD2 3.94Å; F38-L103 HydrophobicContact CE2-CG 4.4Å; F38-L103 HydrophobicContact CZ-CD2 4.21Å; F38-Y104 HydrophobicContact CB-CD1 4.36Å; F38-Y104 HydrophobicContact CB-CE1 3.99Å; F38-Y104 HydrophobicContact CD2-CD1 4.48Å; F38-Y104 AromaticContact CD2-CE1 3.98Å; F38-Y104 HydrophobicContact CD2-CE1 3.98Å; F38-Y104 HydrophobicContact CD2-CE2 4.27Å; F38-Y104 AromaticContact CD2-CZ 3.86Å; F38-R148 HydrophobicContact CB-CB 4.45Å; F38-R148 HydrophobicContact CD1-CB 4.48Å; F38-R148 HydrophobicContact CD1-CG 4.09Å; F38-R148 HydrophobicContact CD2-CB 3.97Å; F38-R148 HydrophobicContact CD2-CG 4.41Å; F38-R148 HydrophobicContact CE1-CG 4.3Å; F38-R148 HydrophobicContact CE2-CB 4.36Å; F38-R148 HydrophobicContact CG-CB 4.04Å; F38-R148 HydrophobicContact CG-CG 4.17Å
39K88.3Confident78.2Confident135 Ų13572.3 Ų72.359%0.58737%0.365SS*.  trans-139.972.4-174-71.5176.2-177.7140.20108.5D37 S41 L103D37-K39 PolarHBondContact O-N 2.82Å; D37-K39 IonicContact OD1-NZ 2.73Å; D37-K39 PolarHBondContact OD1-NZ 2.94Å; K39-S41 PolarHBondContact O-N 3.42Å; K39-L103 CarbonylContact C-O 3.54Å; K39-L103 PolarHBondContact N-O 3.11Å
40P91.4Very high80.5Confident54 Ų5476 Ų7635%0.35137%0.368SS..  trans-68.5130.2-173.428.8-35.7000111.3F38 L71 H102 L103F38-P40 HydrophobicContact CD1-CG 4.25Å; F38-P40 HydrophobicContact CE1-CB 4.23Å; F38-P40 HydrophobicContact CE1-CG 3.54Å; F38-P40 HydrophobicContact CZ-CB 3.92Å; F38-P40 HydrophobicContact CZ-CG 3.76Å; P40-L71 HydrophobicContact CB-CD1 3.59Å; P40-L71 HydrophobicContact CG-CD1 4.27Å; P40-H102 CarbonylContact C-O 3.54Å; P40-H102 VanDerWaalsContact CA-O 3.27Å; P40-H102 WeakPolarHBondContact CA-O 3.25Å; P40-L103 HydrophobicContact CB-CD2 4Å
41S93.8Very high82.9Confident34 Ų3473.4 Ų73.424%0.23836%0.356CS..  trans-110.992.5165.4-168.90000110.1K39 R43 D44 L45 H102K39-S41 PolarHBondContact O-N 3.42Å; S41-R43 VanDerWaalsContact C-N 3.35Å; S41-D44 WeakPolarHBondContact CB-OD2 3.24Å; S41-D44 VanDerWaalsContact OG-CB 3.29Å; S41-D44 WeakPolarHBondContact OG-CB 3.08Å; S41-D44 PolarHBondContact OG-N 3.02Å; S41-D44 PolarHBondContact OG-OD2 2.95Å; S41-L45 VanDerWaalsContact O-CB 3.31Å; S41-L45 WeakPolarHBondContact O-CB 3.45Å; S41-L45 PolarHBondContact O-N 3.49Å; S41-H102 PolarHBondContact N-O 2.88Å
42I93.6Very high85.5Confident47 Ų4774.6 Ų74.624%0.24136%0.36CS..Hα-helixtrans-63-44.3-179.5-62.2169.2000110.4L45 E46 L71I42-L45 PolarHBondContact O-N 2.87Å; I42-E46 WeakPolarHBondContact O-CB 3.25Å; I42-E46 PolarHBondContact O-N 3.47Å; I42-L71 HydrophobicContact CD1-CB 4.23Å; I42-L71 HydrophobicContact CD1-CD1 4.36Å; I42-L71 HydrophobicContact CG1-CD1 4.06Å
43R95.5Very high87.9Confident187 Ų18767 Ų6771%0.70632%0.32SS*.Hα-helixtrans-65.8-42-178.2-169.1-168.368.9169.90.5112.1S41 E46 W47S41-R43 VanDerWaalsContact C-N 3.35Å; R43-E46 PolarHBondContact O-N 3.28Å; R43-W47 WeakPolarHBondContact O-CB 3.25Å; R43-W47 PolarHBondContact O-N 3.37Å
44D96.1Very high90.1Very high63 Ų6364.9 Ų64.934%0.33730%0.301SS..Hα-helixtrans-74.2-32.9-179.3-54.6-28.8000110.7S41 W47 D48S41-D44 WeakPolarHBondContact CB-OD2 3.24Å; S41-D44 VanDerWaalsContact OG-CB 3.29Å; S41-D44 WeakPolarHBondContact OG-CB 3.08Å; S41-D44 PolarHBondContact OG-N 3.02Å; S41-D44 PolarHBondContact OG-OD2 2.95Å; D44-W47 PolarHBondContact O-N 3.39Å; D44-D48 WeakPolarHBondContact O-CB 3.46Å; D44-D48 PolarHBondContact O-N 2.92Å
45L96.6Very high92.1Very high4 Ų464.1 Ų64.12%0.02130%0.298CS..Hα-helixtrans-59.1-52.1169.3176.561.2000111.6S41 I42 W47 D48 L49 V67 L98 L99 H102S41-L45 VanDerWaalsContact O-CB 3.31Å; S41-L45 WeakPolarHBondContact O-CB 3.45Å; S41-L45 PolarHBondContact O-N 3.49Å; I42-L45 PolarHBondContact O-N 2.87Å; L45-W47 VanDerWaalsContact C-N 3.32Å; L45-W47 PolarHBondContact O-N 3.39Å; L45-D48 PolarHBondContact O-N 3.47Å; L45-L49 HydrophobicContact CD1-CD1 4.03Å; L45-L49 HydrophobicContact CD1-CG 4.03Å; L45-L49 HydrophobicContact CG-CD1 3.97Å; L45-L49 HydrophobicContact CG-CG 4.39Å; L45-L49 WeakPolarHBondContact O-CB 3.44Å; L45-L49 VanDerWaalsContact O-CG 3.24Å; L45-L49 WeakPolarHBondContact O-CG 3.26Å; L45-L49 PolarHBondContact O-N 2.94Å; L45-V67 HydrophobicContact CD2-CB 4.46Å; L45-V67 HydrophobicContact CD2-CG1 3.98Å; L45-L98 HydrophobicContact CD1-CB 4.2Å; L45-L99 HydrophobicContact CD2-CD1 3.86Å; L45-H102 HydrophobicContact CB-CB 3.75Å; L45-H102 HydrophobicContact CD1-CB 4.19Å; L45-H102 HydrophobicContact CG-CB 4.45Å
46E97.1Very high93.8Very high104 Ų10460.6 Ų60.649%0.48628%0.279SS..Hα-helixtrans-56.7-47.1178.7-178.1179.9-170.200111.3I42 R43 D48 L49 Y50I42-E46 WeakPolarHBondContact O-CB 3.25Å; I42-E46 PolarHBondContact O-N 3.47Å; R43-E46 PolarHBondContact O-N 3.28Å; E46-D48 PolarHBondContact O-N 3.42Å; E46-L49 PolarHBondContact O-N 3.27Å; E46-Y50 WeakPolarHBondContact O-CB 3.49Å; E46-Y50 PolarHBondContact O-N 2.88Å
47W97.5Very high94.8Very high153 Ų15361.5 Ų61.558%0.5828%0.282SS*.Hα-helixtrans-62.5-43.9178.2-177.1-104000112.8R43 D44 L45 Y50 K51R43-W47 WeakPolarHBondContact O-CB 3.25Å; R43-W47 PolarHBondContact O-N 3.37Å; D44-W47 PolarHBondContact O-N 3.39Å; L45-W47 VanDerWaalsContact C-N 3.32Å; L45-W47 PolarHBondContact O-N 3.39Å; W47-Y50 PolarHBondContact O-N 3.39Å; W47-K51 VanDerWaalsContact O-CB 3.25Å; W47-K51 WeakPolarHBondContact O-CB 3.17Å; W47-K51 PolarHBondContact O-N 3.31Å
48D97.1Very high95.5Very high44 Ų4459.6 Ų59.624%0.23527%0.272CS..Hα-helixtrans-70.8-33.7179.5-90.4-2.2000112.7D44 L45 E46 N52 L98 H102D44-D48 WeakPolarHBondContact O-CB 3.46Å; D44-D48 PolarHBondContact O-N 2.92Å; L45-D48 PolarHBondContact O-N 3.47Å; E46-D48 PolarHBondContact O-N 3.42Å; D48-N52 VanDerWaalsContact O-CB 3.26Å; D48-N52 WeakPolarHBondContact O-CB 3.32Å; D48-N52 PolarHBondContact O-N 2.89Å; D48-N52 PolarHBondContact O-ND2 3.13Å; D48-N52 PolarHBondContact OD1-ND2 3.02Å; D48-L98 HydrophobicContact CB-CD2 4.17Å; D48-H102 IonicContact OD2-CD2 3.77Å; D48-H102 IonicContact OD2-CE1 3.33Å; D48-H102 PolarHBondContact OD2-CE1 3.46Å; D48-H102 IonicContact OD2-NE2 3.11Å; D48-H102 PolarHBondContact OD2-NE2 3.19Å
49L97.9Very high96Very high2 Ų258.7 Ų58.71%0.0127%0.268CS..Hα-helixtrans-60.1-50.7170.9-73.3172000110L45 E46 K51 V53 Q60 V63 V95 L98L45-L49 HydrophobicContact CD1-CD1 4.03Å; L45-L49 HydrophobicContact CD1-CG 4.03Å; L45-L49 HydrophobicContact CG-CD1 3.97Å; L45-L49 HydrophobicContact CG-CG 4.39Å; L45-L49 WeakPolarHBondContact O-CB 3.44Å; L45-L49 VanDerWaalsContact O-CG 3.24Å; L45-L49 WeakPolarHBondContact O-CG 3.26Å; L45-L49 PolarHBondContact O-N 2.94Å; E46-L49 PolarHBondContact O-N 3.27Å; L49-K51 PolarHBondContact O-N 3.48Å; L49-V53 HydrophobicContact CD2-CG2 4.08Å; L49-V53 VanDerWaalsContact O-CB 3.23Å; L49-V53 WeakPolarHBondContact O-CB 3.48Å; L49-V53 WeakPolarHBondContact O-CG2 3.4Å; L49-V53 PolarHBondContact O-N 2.72Å; L49-Q60 HydrophobicContact CB-CG 4.26Å; L49-Q60 PolarHBondContact O-NE2 3.49Å; L49-Q60 VanDerWaalsContact O-NE2 3.13Å; L49-V63 HydrophobicContact CD1-CB 4.37Å; L49-V63 HydrophobicContact CD1-CG1 4.13Å; L49-V95 HydrophobicContact CD2-CB 4.38Å; L49-V95 HydrophobicContact CD2-CG1 3.96Å; L49-V95 HydrophobicContact CD2-CG2 4.01Å; L49-L98 HydrophobicContact CD2-CD1 4.02Å
50Y96.4Very high96.5Very high156 Ų15653.5 Ų53.561%0.61225%0.246SC*.Hα-helixtrans-60.6-45.2179178.8-102.1000112.6E46 W47E46-Y50 WeakPolarHBondContact O-CB 3.49Å; E46-Y50 PolarHBondContact O-N 2.88Å; W47-Y50 PolarHBondContact O-N 3.39Å
51K96Very high96.7Very high118 Ų11855.8 Ų55.851%0.51326%0.255SS..Hα-helixtrans-76.1-35.5-174-172.6178.3178-174.80113.4W47 L49 F54W47-K51 VanDerWaalsContact O-CB 3.25Å; W47-K51 WeakPolarHBondContact O-CB 3.17Å; W47-K51 PolarHBondContact O-N 3.31Å; L49-K51 PolarHBondContact O-N 3.48Å; K51-F54 WeakPolarHBondContact O-CE1 3.23Å
52N96.4Very high96.9Very high55 Ų5554.4 Ų54.429%0.29425%0.245SC..Hα-helixtrans-110.3-17.1-168-56.1-68.2000114.4D48D48-N52 VanDerWaalsContact O-CB 3.26Å; D48-N52 WeakPolarHBondContact O-CB 3.32Å; D48-N52 PolarHBondContact O-N 2.89Å; D48-N52 PolarHBondContact O-ND2 3.13Å; D48-N52 PolarHBondContact OD1-ND2 3.02Å
53V97.8Very high97.1Very high1 Ų152.2 Ų52.21%0.00623%0.234CC..SBendtrans-102.487.3-176-169.90000110.3L49 Q56 Q60 L94 V95 L98L49-V53 HydrophobicContact CD2-CG2 4.08Å; L49-V53 VanDerWaalsContact O-CB 3.23Å; L49-V53 WeakPolarHBondContact O-CB 3.48Å; L49-V53 WeakPolarHBondContact O-CG2 3.4Å; L49-V53 PolarHBondContact O-N 2.72Å; V53-Q56 HydrophobicContact CG1-CB 3.8Å; V53-Q56 HydrophobicContact CG1-CG 3.82Å; V53-Q60 HydrophobicContact CB-CG 4.46Å; V53-Q60 PolarHBondContact O-NE2 3.35Å; V53-L94 HydrophobicContact CG2-CD2 4.21Å; V53-V95 HydrophobicContact CG1-CG2 3.89Å; V53-V95 HydrophobicContact CG2-CG2 3.87Å; V53-L98 HydrophobicContact CG2-CD1 3.84Å
54F97.4Very high97.2Very high29 Ų2944 Ų4413%0.12721%0.205CC..THydrogen-bonded Turntrans-72.9132.8-171.3-50.6-50.9000114K51 Q56 L256 H260 R263 A267K51-F54 WeakPolarHBondContact O-CE1 3.23Å; F54-Q56 VanDerWaalsContact C-N 3.34Å; F54-Q56 PolarHBondContact O-N 3.02Å; F54-L256 WeakPolarHBondContact O-CD2 3.2Å; F54-H260 HydrophobicContact CB-CB 4.45Å; F54-R263 HydrophobicContact CD1-CB 4.26Å; F54-R263 VanDerWaalsContact CD1-CZ 3.42Å; F54-R263 VanDerWaalsContact CD1-NH2 3.28Å; F54-R263 HydrophobicContact CD2-CB 3.75Å; F54-R263 HydrophobicContact CE1-CB 4.43Å; F54-R263 HydrophobicContact CE2-CB 3.98Å; F54-R263 WeakPolarHBondContact CE2-O 3.29Å; F54-R263 HydrophobicContact CG-CB 3.9Å; F54-R263 HydrophobicContact CZ-CB 4.31Å; F54-A267 HydrophobicContact CE2-CB 3.93Å; F54-A267 HydrophobicContact CZ-CB 4Å
55G96.6Very high97.3Very high12 Ų1247 Ų4712%0.12422%0.217CC..THydrogen-bonded Turntrans7321.8170.400000115.2R212 H260G55-R212 PolarHBondContact O-NE 2.88Å; G55-R212 PolarHBondContact O-NH2 2.92Å; G55-H260 WeakPolarHBondContact CA-CE1 3.28Å; G55-H260 WeakPolarHBondContact CA-NE2 3.24Å
56Q97.9Very high97.4Very high1 Ų148.4 Ų48.41%0.00522%0.224CC..  trans-125.150.7-177.5-55.6-59.5-24.600111.9V53 F54 L58 A59 Q60 T90 F253 L254 L256V53-Q56 HydrophobicContact CG1-CB 3.8Å; V53-Q56 HydrophobicContact CG1-CG 3.82Å; F54-Q56 VanDerWaalsContact C-N 3.34Å; F54-Q56 PolarHBondContact O-N 3.02Å; Q56-L58 VanDerWaalsContact C-N 3.26Å; Q56-L58 PolarHBondContact O-N 3.06Å; Q56-A59 HydrophobicContact CB-CB 4.02Å; Q56-A59 PolarHBondContact O-N 2.72Å; Q56-Q60 VanDerWaalsContact O-CG 3.28Å; Q56-Q60 WeakPolarHBondContact O-CG 3.45Å; Q56-Q60 PolarHBondContact O-N 3.01Å; Q56-T90 PolarHBondContact NE2-O 3.25Å; Q56-F253 HydrophobicContact CG-CD1 4.16Å; Q56-F253 VanDerWaalsContact OE1-CA 3.28Å; Q56-L254 PolarHBondContact NE2-O 3.33Å; Q56-L256 VanDerWaalsContact NE2-CD2 3.3Å
57H97.4Very high97.4Very high30 Ų3043.5 Ų43.514%0.13920%0.201CC..Hα-helixtrans-52.4-44.9-179.464.1-61.9000112.1A59 Q60 D61 R212 D213 I215H57-A59 VanDerWaalsContact C-N 3.35Å; H57-A59 PolarHBondContact O-N 3.48Å; H57-Q60 PolarHBondContact O-N 3.03Å; H57-D61 PolarHBondContact O-N 3.36Å; H57-R212 PolarHBondContact CE1-O 3.13Å; H57-D213 IonicContact ND1-OD1 2.76Å; H57-D213 PolarHBondContact NE2-O 2.91Å; H57-I215 PolarHBondContact NE2-O 2.96Å
58L97.5Very high97.4Very high4 Ų437.8 Ų37.82%0.02118%0.184CC..Hα-helixtrans-57.7-43.8176-62.4-175.6000113.4Q56 L62 I215 P217 L220 P252 L254Q56-L58 VanDerWaalsContact C-N 3.26Å; Q56-L58 PolarHBondContact O-N 3.06Å; L58-L62 VanDerWaalsContact O-CB 3.23Å; L58-L62 WeakPolarHBondContact O-CB 3.26Å; L58-L62 WeakPolarHBondContact O-CD1 3.23Å; L58-L62 WeakPolarHBondContact O-CG 3.42Å; L58-L62 PolarHBondContact O-N 3.17Å; L58-I215 HydrophobicContact CD1-CG2 4.25Å; L58-I215 WeakPolarHBondContact CD2-O 3.4Å; L58-P217 HydrophobicContact CD2-CG 3.87Å; L58-L220 HydrophobicContact CD1-CD1 3.65Å; L58-P252 HydrophobicContact CB-CG 4.35Å; L58-P252 HydrophobicContact CD1-CG 3.95Å; L58-L254 HydrophobicContact CD1-CD1 4.21Å; L58-L254 HydrophobicContact CD1-CD2 4.25Å; L58-L254 HydrophobicContact CD1-CG 4.42Å
59A97.9Very high97.4Very high0 Ų039.2 Ų39.20%020%0.197CC..Hα-helixtrans-73-36-178.800000111.7Q56 H57 V63 V251 F253Q56-A59 HydrophobicContact CB-CB 4.02Å; Q56-A59 PolarHBondContact O-N 2.72Å; H57-A59 VanDerWaalsContact C-N 3.35Å; H57-A59 PolarHBondContact O-N 3.48Å; A59-V63 WeakPolarHBondContact O-CB 3.43Å; A59-V63 WeakPolarHBondContact O-CG2 3.32Å; A59-V63 PolarHBondContact O-N 2.86Å; A59-V63 VanDerWaalsContact O-N 3.09Å; A59-V251 HydrophobicContact CB-CG1 3.68Å; A59-F253 HydrophobicContact CB-CD1 4.34Å; A59-F253 HydrophobicContact CB-CD2 4.41Å; A59-F253 HydrophobicContact CB-CE1 3.94Å; A59-F253 HydrophobicContact CB-CE2 4.01Å; A59-F253 HydrophobicContact CB-CZ 3.77Å
60Q97.9Very high97.3Very high26 Ų2640 Ų4012%0.12120%0.201CC..Hα-helixtrans-60.3-53.1175.2-67.5169.1-9.600110.5L49 V53 Q56 H57 S64L49-Q60 HydrophobicContact CB-CG 4.26Å; L49-Q60 PolarHBondContact O-NE2 3.49Å; L49-Q60 VanDerWaalsContact O-NE2 3.13Å; V53-Q60 HydrophobicContact CB-CG 4.46Å; V53-Q60 PolarHBondContact O-NE2 3.35Å; Q56-Q60 VanDerWaalsContact O-CG 3.28Å; Q56-Q60 WeakPolarHBondContact O-CG 3.45Å; Q56-Q60 PolarHBondContact O-N 3.01Å; H57-Q60 PolarHBondContact O-N 3.03Å; Q60-S64 WeakPolarHBondContact O-CB 3.47Å; Q60-S64 PolarHBondContact O-N 2.9Å
61D97.1Very high97.1Very high102 Ų10233.7 Ų33.755%0.54518%0.178SC..Hα-helixtrans-65.3-51.9-176.7-65.9-16.1000111.4H57 V63 S64 E65H57-D61 PolarHBondContact O-N 3.36Å; D61-V63 PolarHBondContact O-N 3.1Å; D61-S64 PolarHBondContact O-N 3.46Å; D61-E65 VanDerWaalsContact O-CB 3.29Å; D61-E65 WeakPolarHBondContact O-CB 3.27Å; D61-E65 PolarHBondContact O-N 3.49Å
62L97.6Very high97Very high5 Ų534 Ų343%0.02619%0.185CC..Hα-helixtrans-62.7-41.8-177.2-69.4174.5000112.5L58 E66 P217 V251L58-L62 VanDerWaalsContact O-CB 3.23Å; L58-L62 WeakPolarHBondContact O-CB 3.26Å; L58-L62 WeakPolarHBondContact O-CD1 3.23Å; L58-L62 WeakPolarHBondContact O-CG 3.42Å; L58-L62 PolarHBondContact O-N 3.17Å; L62-E66 VanDerWaalsContact O-CB 3.3Å; L62-E66 WeakPolarHBondContact O-CB 3.21Å; L62-E66 WeakPolarHBondContact O-CG 3.35Å; L62-E66 PolarHBondContact O-N 3.05Å; L62-P217 HydrophobicContact CD1-CB 4.29Å; L62-P217 HydrophobicContact CD1-CG 4.45Å; L62-P217 HydrophobicContact CD2-CB 4.3Å; L62-P217 HydrophobicContact CD2-CG 4.16Å; L62-P217 HydrophobicContact CG-CG 4.44Å; L62-V251 HydrophobicContact CB-CG1 4.5Å; L62-V251 HydrophobicContact CB-CG2 4.49Å
63V98.3Very high96.8Very high0 Ų034.8 Ų34.80%019%0.189CC..Hα-helixtrans-70.7-42.6179.71740000110.4L49 A59 D61 V67 F84 V95 V251L49-V63 HydrophobicContact CD1-CB 4.37Å; L49-V63 HydrophobicContact CD1-CG1 4.13Å; A59-V63 WeakPolarHBondContact O-CB 3.43Å; A59-V63 WeakPolarHBondContact O-CG2 3.32Å; A59-V63 PolarHBondContact O-N 2.86Å; A59-V63 VanDerWaalsContact O-N 3.09Å; D61-V63 PolarHBondContact O-N 3.1Å; V63-V67 HydrophobicContact CG1-CG2 4.09Å; V63-V67 VanDerWaalsContact O-CB 3.24Å; V63-V67 WeakPolarHBondContact O-CB 3.23Å; V63-V67 WeakPolarHBondContact O-CG2 3.44Å; V63-V67 PolarHBondContact O-N 3.4Å; V63-F84 HydrophobicContact CG2-CE1 3.88Å; V63-F84 HydrophobicContact CG2-CZ 3.99Å; V63-V95 HydrophobicContact CG1-CG1 4.2Å; V63-V95 HydrophobicContact CG2-CG1 4.07Å; V63-V251 HydrophobicContact CG2-CG1 4.05Å; V63-V251 HydrophobicContact CG2-CG2 4.24Å
64S97.7Very high96.2Very high16 Ų1642.7 Ų42.711%0.11222%0.223CC..Hα-helixtrans-59.9-48.6177.2-172.80000111.3Q60 D61 S68Q60-S64 WeakPolarHBondContact O-CB 3.47Å; Q60-S64 PolarHBondContact O-N 2.9Å; D61-S64 PolarHBondContact O-N 3.46Å; S64-S68 WeakPolarHBondContact O-CB 3.12Å; S64-S68 PolarHBondContact O-N 2.91Å
65E97.3Very high95.6Very high125 Ų12546.7 Ų46.758%0.58425%0.245SC*.Hα-helixtrans-61.8-53.5-179.7-175.9-178.6-178.100112.1D61 V67 S68 S69D61-E65 VanDerWaalsContact O-CB 3.29Å; D61-E65 WeakPolarHBondContact O-CB 3.27Å; D61-E65 PolarHBondContact O-N 3.49Å; E65-V67 PolarHBondContact O-N 3.01Å; E65-S68 PolarHBondContact O-N 2.91Å; E65-S69 VanDerWaalsContact O-CB 3.23Å; E65-S69 WeakPolarHBondContact O-CB 3.39Å; E65-S69 PolarHBondContact O-N 3.24Å
66E97.9Very high95.4Very high34 Ų3446.3 Ų46.316%0.15924%0.241CC..Hα-helixtrans-66.1-41.3-175.3-67.8-70.6170.300111.8L62 F70 L80 L82 R249L62-E66 VanDerWaalsContact O-CB 3.3Å; L62-E66 WeakPolarHBondContact O-CB 3.21Å; L62-E66 WeakPolarHBondContact O-CG 3.35Å; L62-E66 PolarHBondContact O-N 3.05Å; E66-F70 WeakPolarHBondContact O-CB 3.39Å; E66-F70 PolarHBondContact O-N 3.34Å; E66-L80 HydrophobicContact CB-CD1 4.17Å; E66-L82 HydrophobicContact CB-CD2 4.07Å; E66-L82 HydrophobicContact CG-CD2 4.37Å; E66-R249 HydrophobicContact CG-CB 3.97Å; E66-R249 HydrophobicContact CG-CG 4.06Å; E66-R249 WeakPolarHBondContact OE1-CD 3.29Å
67V97.6Very high95Very high1 Ų152.2 Ų52.21%0.00627%0.272CS..Hα-helixtrans-67.7-46.8177.2174.60000110.1L45 V63 E65 S69 F70 L71 L80 L82 L99 L103L45-V67 HydrophobicContact CD2-CB 4.46Å; L45-V67 HydrophobicContact CD2-CG1 3.98Å; V63-V67 HydrophobicContact CG1-CG2 4.09Å; V63-V67 VanDerWaalsContact O-CB 3.24Å; V63-V67 WeakPolarHBondContact O-CB 3.23Å; V63-V67 WeakPolarHBondContact O-CG2 3.44Å; V63-V67 PolarHBondContact O-N 3.4Å; E65-V67 PolarHBondContact O-N 3.01Å; V67-S69 PolarHBondContact O-N 2.95Å; V67-F70 PolarHBondContact O-N 3.03Å; V67-L71 HydrophobicContact CG1-CD1 3.82Å; V67-L71 HydrophobicContact CG1-CG 4.18Å; V67-L71 WeakPolarHBondContact O-CB 3.41Å; V67-L71 WeakPolarHBondContact O-CG 3.43Å; V67-L71 PolarHBondContact O-N 3.27Å; V67-L80 HydrophobicContact CG2-CD2 3.95Å; V67-L82 HydrophobicContact CG2-CD1 4.3Å; V67-L99 HydrophobicContact CB-CD1 4.47Å; V67-L99 HydrophobicContact CG1-CD1 3.98Å; V67-L99 HydrophobicContact CG2-CD1 3.67Å; V67-L103 HydrophobicContact CG1-CD2 4.43Å
68S96.9Very high94.7Very high32 Ų3255.9 Ų55.922%0.22429%0.285CS..Hα-helixtrans-58-51.7178.2-177.20000111.4S64 E65 F70 L71 L72S64-S68 WeakPolarHBondContact O-CB 3.12Å; S64-S68 PolarHBondContact O-N 2.91Å; E65-S68 PolarHBondContact O-N 2.91Å; S68-F70 PolarHBondContact O-N 2.97Å; S68-L71 PolarHBondContact O-N 3.46Å; S68-L72 WeakPolarHBondContact O-CB 3.4Å; S68-L72 VanDerWaalsContact O-CG 3.25Å; S68-L72 WeakPolarHBondContact O-CG 3.49Å; S68-L72 PolarHBondContact O-N 3.36Å
69S96.9Very high94.6Very high74 Ų7455.8 Ų55.852%0.51729%0.285SS..Hα-helixtrans-57.3-46.2177.8-177.70000112.2E65 V67 L71 L72 N73E65-S69 VanDerWaalsContact O-CB 3.23Å; E65-S69 WeakPolarHBondContact O-CB 3.39Å; E65-S69 PolarHBondContact O-N 3.24Å; V67-S69 PolarHBondContact O-N 2.95Å; S69-L71 PolarHBondContact O-N 2.84Å; S69-L72 PolarHBondContact O-N 3.41Å; S69-N73 PolarHBondContact O-N 3.41Å; S69-N73 VanDerWaalsContact O-N 3.12Å
70F96.3Very high94.6Very high18 Ų1856 Ų568%0.07929%0.285CS..Hα-helixtrans-64.5-38.4179.2179.6-108.4000113.3E66 V67 S68 P76 L80 R183 K184 A185 I186E66-F70 WeakPolarHBondContact O-CB 3.39Å; E66-F70 PolarHBondContact O-N 3.34Å; V67-F70 PolarHBondContact O-N 3.03Å; S68-F70 PolarHBondContact O-N 2.97Å; F70-P76 HydrophobicContact CD2-CB 4.07Å; F70-P76 HydrophobicContact CE2-CB 3.61Å; F70-P76 HydrophobicContact CE2-CG 3.84Å; F70-P76 HydrophobicContact CZ-CB 4.5Å; F70-P76 HydrophobicContact CZ-CG 4.26Å; F70-L80 HydrophobicContact CB-CB 4.3Å; F70-L80 HydrophobicContact CB-CD2 4Å; F70-L80 HydrophobicContact CD1-CB 3.77Å; F70-L80 HydrophobicContact CD1-CD2 4.06Å; F70-L80 HydrophobicContact CD2-CB 3.74Å; F70-L80 HydrophobicContact CE1-CB 3.91Å; F70-L80 HydrophobicContact CE2-CB 3.88Å; F70-L80 HydrophobicContact CG-CB 3.67Å; F70-L80 HydrophobicContact CG-CD2 4.1Å; F70-L80 HydrophobicContact CG-CG 4.39Å; F70-L80 HydrophobicContact CZ-CB 3.95Å; F70-R183 WeakPolarHBondContact CE2-O 3.49Å; F70-R183 WeakPolarHBondContact CZ-O 3.48Å; F70-K184 WeakPolarHBondContact CE1-O 3.24Å; F70-K184 WeakPolarHBondContact CZ-O 3.34Å; F70-A185 WeakPolarHBondContact CZ-O 3.46Å; F70-I186 HydrophobicContact CD1-CD1 4.24Å; F70-I186 HydrophobicContact CD1-CG1 4.11Å; F70-I186 HydrophobicContact CE1-CD1 4.14Å; F70-I186 HydrophobicContact CE1-CG1 3.63Å; F70-I186 HydrophobicContact CZ-CG1 4.5Å
71L93.6Very high94.6Very high24 Ų2454.7 Ų54.713%0.12628%0.28CS..Hα-helixtrans-76.1-33.4-179.6-67.5-174.1000113F38 P40 I42 V67 S68 S69 N73 L103F38-L71 HydrophobicContact CE1-CD2 4.31Å; F38-L71 HydrophobicContact CZ-CD1 4.45Å; F38-L71 HydrophobicContact CZ-CD2 3.56Å; P40-L71 HydrophobicContact CB-CD1 3.59Å; P40-L71 HydrophobicContact CG-CD1 4.27Å; I42-L71 HydrophobicContact CD1-CB 4.23Å; I42-L71 HydrophobicContact CD1-CD1 4.36Å; I42-L71 HydrophobicContact CG1-CD1 4.06Å; V67-L71 HydrophobicContact CG1-CD1 3.82Å; V67-L71 HydrophobicContact CG1-CG 4.18Å; V67-L71 WeakPolarHBondContact O-CB 3.41Å; V67-L71 WeakPolarHBondContact O-CG 3.43Å; V67-L71 PolarHBondContact O-N 3.27Å; S68-L71 PolarHBondContact O-N 3.46Å; S69-L71 PolarHBondContact O-N 2.84Å; L71-N73 VanDerWaalsContact C-N 3.3Å; L71-L103 HydrophobicContact CD1-CD2 3.71Å
72L93.2Very high94.6Very high126 Ų12649.9 Ų49.966%0.6625%0.254SS*.Hα-helixtrans-67.7-32.1173.7-70.4171.3000111.7S68 S69 K74S68-L72 WeakPolarHBondContact O-CB 3.4Å; S68-L72 VanDerWaalsContact O-CG 3.25Å; S68-L72 WeakPolarHBondContact O-CG 3.49Å; S68-L72 PolarHBondContact O-N 3.36Å; S69-L72 PolarHBondContact O-N 3.41Å; L72-K74 PolarHBondContact O-N 3.03Å
73N91.1Very high94.6Very high71 Ų7149.6 Ų49.638%0.3825%0.252SS..  trans-74.2105.2173-171-6.5000111.4S69 L71 N75S69-N73 PolarHBondContact O-N 3.41Å; S69-N73 VanDerWaalsContact O-N 3.12Å; L71-N73 VanDerWaalsContact C-N 3.3Å; N73-N75 PolarHBondContact O-N 3.11Å; N73-N75 PolarHBondContact OD1-N 3.3Å; N73-N75 PolarHBondContact OD1-O 3.08Å
74K85.6Confident94.5Very high167 Ų16749.6 Ų49.673%0.72625%0.252SS*.SBendtrans-66.2-26.1178.8-65.5-174179-178.70113.6L72 K184L72-K74 PolarHBondContact O-N 3.03Å; K74-K184 WeakPolarHBondContact O-CE 3.31Å
75N86.1Confident94.5Very high112 Ų11248.9 Ų48.960%0.59925%0.247SC*.SBendtrans-130.470.7-175.9-70.3-31.8000110.2N73N73-N75 PolarHBondContact O-N 3.11Å; N73-N75 PolarHBondContact OD1-N 3.3Å; N73-N75 PolarHBondContact OD1-O 3.08Å
76P90.7Very high94.4Very high4 Ų442.9 Ų42.93%0.02622%0.219CC..  trans-65143.2178.129.2-35.7000111.1F70 R78 R183 K184F70-P76 HydrophobicContact CD2-CB 4.07Å; F70-P76 HydrophobicContact CE2-CB 3.61Å; F70-P76 HydrophobicContact CE2-CG 3.84Å; F70-P76 HydrophobicContact CZ-CB 4.5Å; F70-P76 HydrophobicContact CZ-CG 4.26Å; P76-R78 VanDerWaalsContact C-N 3.31Å; P76-R183 HydrophobicContact CG-CB 4.22Å; P76-R183 WeakPolarHBondContact CG-O 3.48Å; P76-R183 WeakPolarHBondContact O-CB 3.22Å; P76-R183 VanDerWaalsContact O-CD 3.27Å; P76-R183 WeakPolarHBondContact O-CD 3.4Å; P76-R183 PolarHBondContact O-NE 3.14Å; P76-K184 HydrophobicContact CG-CG 4.16Å
77D89.6Confident94.2Very high125 Ų12542.3 Ų42.367%0.66822%0.219SC*.SBendtrans-79.4-13.8178.4-64.5-38.8000113.1P173 R183D77-P173 WeakPolarHBondContact O-CA 3.46Å; D77-P173 WeakPolarHBondContact O-CB 3.17Å; D77-R183 VanDerWaalsContact C-CD 3.44Å; D77-R183 VanDerWaalsContact O-CD 3.23Å; D77-R183 WeakPolarHBondContact O-CD 3.26Å
78R92.6Very high94.1Very high108 Ų10844.5 Ų44.541%0.40823%0.234SC..SBendtrans-159.3158.8175.258.8178.8173.2172.5-0109.6P76 R183 N245P76-R78 VanDerWaalsContact C-N 3.31Å; R78-R183 CarbonylContact C-O 3.59Å; R78-N245 PolarHBondContact NH1-O 3.38Å
79P95.1Very high94.1Very high2 Ų244 Ų441%0.01323%0.234CC..  trans-62.8160.9172.530.2-37.7000112.4V81 F170 L171 R183 A185 Y187P79-V81 HydrophobicContact CG-CG2 4.37Å; P79-F170 WeakPolarHBondContact CG-O 3.49Å; P79-L171 HydrophobicContact CG-CD2 4.33Å; P79-R183 VanDerWaalsContact CA-O 3.25Å; P79-R183 WeakPolarHBondContact CA-O 3.21Å; P79-A185 WeakPolarHBondContact CA-O 3.18Å; P79-A185 HydrophobicContact CB-CB 4.4Å; P79-A185 WeakPolarHBondContact CB-O 3.47Å; P79-Y187 HydrophobicContact CB-CD2 4.01Å; P79-Y187 HydrophobicContact CB-CE2 3.89Å; P79-Y187 HydrophobicContact CG-CD2 4.29Å; P79-Y187 HydrophobicContact CG-CE2 4.08Å
80L97.2Very high94.1Very high3 Ų340.7 Ų40.72%0.01621%0.211CC..EExtended strand (participates in β ladder)trans-79.4122.6171.8176.660.7000109.3E66 V67 F70 L82 A185 I186 Y187 T248E66-L80 HydrophobicContact CB-CD1 4.17Å; V67-L80 HydrophobicContact CG2-CD2 3.95Å; F70-L80 HydrophobicContact CB-CB 4.3Å; F70-L80 HydrophobicContact CB-CD2 4Å; F70-L80 HydrophobicContact CD1-CB 3.77Å; F70-L80 HydrophobicContact CD1-CD2 4.06Å; F70-L80 HydrophobicContact CD2-CB 3.74Å; F70-L80 HydrophobicContact CE1-CB 3.91Å; F70-L80 HydrophobicContact CE2-CB 3.88Å; F70-L80 HydrophobicContact CG-CB 3.67Å; F70-L80 HydrophobicContact CG-CD2 4.1Å; F70-L80 HydrophobicContact CG-CG 4.39Å; F70-L80 HydrophobicContact CZ-CB 3.95Å; L80-L82 HydrophobicContact CD1-CD2 3.88Å; L80-L82 HydrophobicContact CD1-CG 4.17Å; L80-L82 HydrophobicContact CD2-CD1 4.31Å; L80-L82 HydrophobicContact CD2-CG 4.35Å; L80-L82 HydrophobicContact CG-CD2 4.33Å; L80-L82 HydrophobicContact CG-CG 4.08Å; L80-A185 PolarHBondContact N-O 3.34Å; L80-A185 VanDerWaalsContact N-O 3.15Å; L80-I186 HydrophobicContact CB-CG1 4.22Å; L80-I186 HydrophobicContact CB-CG2 4.34Å; L80-I186 HydrophobicContact CD2-CD1 4.42Å; L80-I186 HydrophobicContact CD2-CG1 4.4Å; L80-I186 HydrophobicContact CD2-CG2 4.12Å; L80-I186 HydrophobicContact CG-CG2 4.26Å; L80-I186 CarbonylContact O-C 3.28Å; L80-I186 WeakPolarHBondContact O-CA 3.04Å; L80-Y187 PolarHBondContact O-N 3.18Å; L80-T248 HydrophobicContact CD1-CG2 3.87Å
81V97.5Very high94.2Very high0 Ų040.7 Ų40.70%022%0.216CC..EExtended strand (participates in β ladder)trans-123.1104.3179.1-1730000109.1P79 L171 Y187 F189 L246 I247 T248 R249P79-V81 HydrophobicContact CG-CG2 4.37Å; V81-L171 HydrophobicContact CG2-CD2 3.8Å; V81-Y187 WeakPolarHBondContact CA-O 3.49Å; V81-Y187 HydrophobicContact CG2-CD2 4.34Å; V81-F189 HydrophobicContact CG1-CD2 4.09Å; V81-F189 HydrophobicContact CG1-CE2 3.62Å; V81-F189 HydrophobicContact CG1-CZ 4.24Å; V81-L246 WeakPolarHBondContact CB-O 3.2Å; V81-L246 WeakPolarHBondContact CG2-O 3.34Å; V81-I247 HydrophobicContact CG1-CG1 4.17Å; V81-T248 PolarHBondContact N-OG1 2.69Å; V81-T248 WeakPolarHBondContact O-CA 3.36Å; V81-T248 VanDerWaalsContact O-CB 3.29Å; V81-T248 WeakPolarHBondContact O-CB 2.85Å; V81-T248 PolarHBondContact O-N 2.65Å; V81-R249 PolarHBondContact O-N 3.37Å
82L98Very high94.4Very high0 Ų040.2 Ų40.20%021%0.213CC..EExtended strand (participates in β ladder)trans-99.4132.9177.6-61.2177.5000110E66 V67 L80 F84 Y187 V188 F189 R249 V251E66-L82 HydrophobicContact CB-CD2 4.07Å; E66-L82 HydrophobicContact CG-CD2 4.37Å; V67-L82 HydrophobicContact CG2-CD1 4.3Å; L80-L82 HydrophobicContact CD1-CD2 3.88Å; L80-L82 HydrophobicContact CD1-CG 4.17Å; L80-L82 HydrophobicContact CD2-CD1 4.31Å; L80-L82 HydrophobicContact CD2-CG 4.35Å; L80-L82 HydrophobicContact CG-CD2 4.33Å; L80-L82 HydrophobicContact CG-CG 4.08Å; L82-F84 HydrophobicContact CB-CD1 4.27Å; L82-F84 HydrophobicContact CB-CE1 3.72Å; L82-F84 HydrophobicContact CB-CZ 4.47Å; L82-F84 HydrophobicContact CD1-CE1 4.09Å; L82-F84 HydrophobicContact CD1-CZ 4.32Å; L82-F84 HydrophobicContact CG-CE1 4.48Å; L82-Y187 PolarHBondContact N-O 2.88Å; L82-V188 CarbonylContact O-C 3.56Å; L82-V188 WeakPolarHBondContact O-CA 3.18Å; L82-F189 PolarHBondContact O-N 3.22Å; L82-R249 HydrophobicContact CD2-CB 3.98Å; L82-V251 HydrophobicContact CD2-CG2 4.46Å
83S96.6Very high94.6Very high0 Ų037 Ų370%020%0.198CC..EExtended strand (participates in β ladder)trans-120.5108.2177.7-1600000110.4H85 F189 R249 F250 V251S83-H85 WeakPolarHBondContact CB-NE2 3.31Å; S83-H85 PolarHBondContact O-CD2 3.42Å; S83-H85 PolarHBondContact OG-CE1 3.42Å; S83-H85 PolarHBondContact OG-NE2 2.77Å; S83-F189 CarbonylContact C-O 3.44Å; S83-F189 WeakPolarHBondContact CA-O 3.49Å; S83-R249 PolarHBondContact N-O 3.25Å; S83-F250 CarbonylContact O-C 3.55Å; S83-F250 WeakPolarHBondContact O-CA 3.41Å; S83-V251 PolarHBondContact O-N 3.21Å
84F97.9Very high94.9Very high0 Ų037.2 Ų37.20%020%0.199CC..EExtended strand (participates in β ladder)trans-91.7126.5-175.1-63.4-4.6000110.8V63 L82 K92 V95 V188 F189 I190 S191 V251 F253V63-F84 HydrophobicContact CG2-CE1 3.88Å; V63-F84 HydrophobicContact CG2-CZ 3.99Å; L82-F84 HydrophobicContact CB-CD1 4.27Å; L82-F84 HydrophobicContact CB-CE1 3.72Å; L82-F84 HydrophobicContact CB-CZ 4.47Å; L82-F84 HydrophobicContact CD1-CE1 4.09Å; L82-F84 HydrophobicContact CD1-CZ 4.32Å; L82-F84 HydrophobicContact CG-CE1 4.48Å; F84-K92 HydrophobicContact CB-CB 4.33Å; F84-K92 HydrophobicContact CB-CD 4.03Å; F84-K92 HydrophobicContact CB-CG 4.13Å; F84-K92 HydrophobicContact CD2-CB 4.31Å; F84-V95 HydrophobicContact CE2-CB 4.1Å; F84-V95 HydrophobicContact CE2-CG1 3.72Å; F84-V95 HydrophobicContact CZ-CG1 3.73Å; F84-V188 HydrophobicContact CD1-CG1 4.43Å; F84-V188 HydrophobicContact CD2-CG1 3.8Å; F84-V188 HydrophobicContact CE1-CG1 4.23Å; F84-V188 HydrophobicContact CE2-CG1 3.52Å; F84-V188 HydrophobicContact CG-CG1 4.26Å; F84-V188 HydrophobicContact CZ-CG1 3.76Å; F84-F189 PolarHBondContact N-O 3Å; F84-I190 HydrophobicContact CB-CG1 4.38Å; F84-I190 HydrophobicContact CD2-CD1 4.48Å; F84-I190 HydrophobicContact CD2-CG1 3.98Å; F84-S191 PolarHBondContact O-N 3.39Å; F84-V251 WeakPolarHBondContact CA-O 3.36Å; F84-V251 HydrophobicContact CD1-CB 3.67Å; F84-V251 HydrophobicContact CD1-CG1 4.27Å; F84-V251 HydrophobicContact CD1-CG2 3.86Å; F84-V251 HydrophobicContact CE1-CB 4.06Å; F84-V251 HydrophobicContact CE1-CG1 4.41Å; F84-V251 HydrophobicContact CE1-CG2 3.86Å; F84-F253 HydrophobicContact CB-CD2 4.24Å; F84-F253 HydrophobicContact CB-CE2 3.71Å; F84-F253 HydrophobicContact CD1-CE2 4.12Å; F84-F253 HydrophobicContact CD2-CE2 4.04Å; F84-F253 HydrophobicContact CD2-CZ 4.12Å; F84-F253 HydrophobicContact CE2-CZ 4.49Å; F84-F253 AromaticContact CG-CE2 3.7Å; F84-F253 HydrophobicContact CG-CE2 3.7Å; F84-F253 HydrophobicContact CG-CZ 4.25Å
85H95.9Very high95.5Very high0 Ų029.3 Ų29.30%017%0.165CC..EExtended strand (participates in β ladder)trans-134.4133.7-173.7-66-76.4000112.3S83 S191 A193 I198 V224 V228 F250 V251 P252 F253S83-H85 WeakPolarHBondContact CB-NE2 3.31Å; S83-H85 PolarHBondContact O-CD2 3.42Å; S83-H85 PolarHBondContact OG-CE1 3.42Å; S83-H85 PolarHBondContact OG-NE2 2.77Å; H85-S191 WeakPolarHBondContact CA-O 3.32Å; H85-A193 WeakPolarHBondContact CB-O 3.46Å; H85-A193 PolarHBondContact ND1-O 2.92Å; H85-I198 HydrophobicContact CB-CD1 4.33Å; H85-I198 WeakPolarHBondContact O-CD1 3.27Å; H85-V224 HydrophobicContact CB-CG1 3.78Å; H85-V228 WeakPolarHBondContact CE1-CG2 2.98Å; H85-F250 AromaticContact CD2-CD1 3.68Å; H85-F250 AromaticContact NE2-CD1 3.5Å; H85-F250 AromaticContact NE2-CE1 3.83Å; H85-V251 PolarHBondContact N-O 3.33Å; H85-P252 CarbonylContact O-C 3.57Å; H85-P252 WeakPolarHBondContact O-CA 3.41Å; H85-F253 PolarHBondContact O-N 3.49Å
86G95.5Very high96.1Very high0 Ų024 Ų240%014%0.136CC..EExtended strand (participates in β ladder)trans155.9-179.6173.500000113.4K92 S191 T192 F253G86-K92 PolarHBondContact O-NZ 3.1Å; G86-S191 PolarHBondContact N-O 2.75Å; G86-T192 WeakPolarHBondContact O-CA 3.39Å; G86-F253 WeakPolarHBondContact CA-O 3.26Å
87S95.3Very high96.4Very high22 Ų2225.8 Ų25.815%0.15415%0.147CC..  trans-60.9159.2-177.2-62.20000113.4T90 K92S87-T90 WeakPolarHBondContact O-CG2 3.42Å; S87-T90 PolarHBondContact O-OG1 3.42Å; S87-K92 PolarHBondContact O-NZ 3.2Å
88S95.1Very high96.7Very high46 Ų4620.4 Ų20.432%0.32212%0.118SC..THydrogen-bonded Turntrans-61.3146.5175.1-172.40000111.3T90 K304S88-T90 VanDerWaalsContact C-N 3.3Å; S88-T90 PolarHBondContact O-N 2.77Å; S88-K304 VanDerWaalsContact OG-CD 3.29Å; S88-K304 WeakPolarHBondContact OG-CD 3.48Å
89G96.6Very high96.9Very high21 Ų2115.3 Ų15.322%0.21610%0.099CC..THydrogen-bonded Turntrans73.512.5175.800000116.2C303G89-C303 PolarHBondContact O-N 3.49Å
90T97.8Very high96.9Very high5 Ų515.2 Ų15.23%0.03110%0.099CC..SBendtrans-88.4-6.9179.749.90000114.7Q56 S87 S88 L254 L256Q56-T90 PolarHBondContact NE2-O 3.25Å; S87-T90 WeakPolarHBondContact O-CG2 3.42Å; S87-T90 PolarHBondContact O-OG1 3.42Å; S88-T90 VanDerWaalsContact C-N 3.3Å; S88-T90 PolarHBondContact O-N 2.77Å; T90-L254 WeakPolarHBondContact CG2-O 3.5Å; T90-L256 HydrophobicContact CG2-CG 4.42Å
91G97.6Very high96.8Very high18 Ų1818 Ų1819%0.18611%0.114CC..SBendtrans109.96.2174.600000116.6T93 L94 V95G91-T93 PolarHBondContact O-N 2.98Å; G91-L94 WeakPolarHBondContact O-CA 3.29Å; G91-L94 WeakPolarHBondContact O-CB 3.21Å; G91-L94 PolarHBondContact O-N 3.4Å; G91-V95 WeakPolarHBondContact O-CG2 3.41Å; G91-V95 PolarHBondContact O-N 3.29Å
92K98.1Very high96.7Very high15 Ų1519.3 Ų19.37%0.06512%0.12CC..Hα-helixtrans-51.8-53.9179.7-62.7-175-64.2-74.10113.8F84 G86 S87 L94 V95 S96 I190 S191 F253F84-K92 HydrophobicContact CB-CB 4.33Å; F84-K92 HydrophobicContact CB-CD 4.03Å; F84-K92 HydrophobicContact CB-CG 4.13Å; F84-K92 HydrophobicContact CD2-CB 4.31Å; G86-K92 PolarHBondContact O-NZ 3.1Å; S87-K92 PolarHBondContact O-NZ 3.2Å; K92-L94 VanDerWaalsContact C-N 3.29Å; K92-L94 PolarHBondContact O-N 3.31Å; K92-V95 PolarHBondContact O-N 3.39Å; K92-S96 PolarHBondContact O-N 3.36Å; K92-S96 VanDerWaalsContact O-N 3.12Å; K92-I190 HydrophobicContact CB-CG2 3.6Å; K92-I190 HydrophobicContact CD-CG2 3.87Å; K92-I190 HydrophobicContact CG-CG2 4.34Å; K92-S191 VanDerWaalsContact CE-O 3.27Å; K92-S191 WeakPolarHBondContact CE-O 3.49Å; K92-F253 HydrophobicContact CB-CE1 4.4Å; K92-F253 HydrophobicContact CB-CE2 4.48Å; K92-F253 HydrophobicContact CB-CZ 4.34Å; K92-F253 HydrophobicContact CD-CD2 4.17Å; K92-F253 HydrophobicContact CD-CG 4.34Å; K92-F253 HydrophobicContact CG-CB 4.14Å; K92-F253 HydrophobicContact CG-CD1 3.77Å; K92-F253 HydrophobicContact CG-CD2 3.55Å; K92-F253 HydrophobicContact CG-CE1 3.99Å; K92-F253 HydrophobicContact CG-CE2 3.79Å; K92-F253 HydrophobicContact CG-CG 3.53Å; K92-F253 HydrophobicContact CG-CZ 4Å
93T97.1Very high96.5Very high58 Ų5819.4 Ų19.436%0.35612%0.12SC..Hα-helixtrans-67.8-29.4178.1-44.90000112.3G91 S96 T97 D154G91-T93 PolarHBondContact O-N 2.98Å; T93-S96 WeakPolarHBondContact CA-OG 3.39Å; T93-S96 PolarHBondContact O-OG 3Å; T93-T97 WeakPolarHBondContact O-CB 3.44Å; T93-T97 PolarHBondContact O-N 3.48Å; T93-T97 PolarHBondContact O-OG1 3.23Å; T93-D154 PolarHBondContact OG1-OD2 3.18Å
94L97.7Very high96.3Very high75 Ų7519.6 Ų19.639%0.39312%0.121SC..Hα-helixtrans-64.9-46.7173.7174.263.9000110.3V53 G91 K92 S96 T97 L98V53-L94 HydrophobicContact CG2-CD2 4.21Å; G91-L94 WeakPolarHBondContact O-CA 3.29Å; G91-L94 WeakPolarHBondContact O-CB 3.21Å; G91-L94 PolarHBondContact O-N 3.4Å; K92-L94 VanDerWaalsContact C-N 3.29Å; K92-L94 PolarHBondContact O-N 3.31Å; L94-S96 PolarHBondContact O-N 3.28Å; L94-T97 WeakPolarHBondContact O-CB 3.34Å; L94-T97 PolarHBondContact O-N 3.13Å; L94-L98 HydrophobicContact CD1-CG 4.38Å; L94-L98 HydrophobicContact CG-CD1 4.34Å; L94-L98 WeakPolarHBondContact O-CG 3.41Å; L94-L98 PolarHBondContact O-N 2.9Å
95V98.4Very high95.6Very high1 Ų122.1 Ų22.11%0.00615%0.147CC..Hα-helixtrans-61.2-43.8177.6171.40000111.5L49 V53 V63 F84 G91 K92 T97 L98 L99 F253L49-V95 HydrophobicContact CD2-CB 4.38Å; L49-V95 HydrophobicContact CD2-CG1 3.96Å; L49-V95 HydrophobicContact CD2-CG2 4.01Å; V53-V95 HydrophobicContact CG1-CG2 3.89Å; V53-V95 HydrophobicContact CG2-CG2 3.87Å; V63-V95 HydrophobicContact CG1-CG1 4.2Å; V63-V95 HydrophobicContact CG2-CG1 4.07Å; F84-V95 HydrophobicContact CE2-CB 4.1Å; F84-V95 HydrophobicContact CE2-CG1 3.72Å; F84-V95 HydrophobicContact CZ-CG1 3.73Å; G91-V95 WeakPolarHBondContact O-CG2 3.41Å; G91-V95 PolarHBondContact O-N 3.29Å; K92-V95 PolarHBondContact O-N 3.39Å; V95-T97 VanDerWaalsContact C-N 3.29Å; V95-T97 PolarHBondContact O-N 2.87Å; V95-L98 PolarHBondContact O-N 3.43Å; V95-L99 PolarHBondContact O-N 3.33Å; V95-F253 HydrophobicContact CB-CE1 4.43Å; V95-F253 HydrophobicContact CB-CZ 4.1Å; V95-F253 HydrophobicContact CG1-CZ 4.42Å; V95-F253 HydrophobicContact CG2-CE1 3.79Å; V95-F253 HydrophobicContact CG2-CZ 3.86Å
96S97.6Very high95.2Very high0 Ų024.7 Ų24.70%017%0.165CC..Hα-helixtrans-65.4-33.4176.264.40000112.8K92 T93 L94 L99 G100K92-S96 PolarHBondContact O-N 3.36Å; K92-S96 VanDerWaalsContact O-N 3.12Å; T93-S96 WeakPolarHBondContact CA-OG 3.39Å; T93-S96 PolarHBondContact O-OG 3Å; L94-S96 PolarHBondContact O-N 3.28Å; S96-L99 WeakPolarHBondContact O-CB 3.16Å; S96-L99 PolarHBondContact O-N 3.26Å; S96-G100 PolarHBondContact O-N 2.88Å; S96-G100 VanDerWaalsContact O-N 3.09Å
97T96.9Very high94.9Very high42 Ų4226.1 Ų26.126%0.25818%0.176SC..Hα-helixtrans-66.6-45.8174.3-58.10000110.9T93 L94 V95 L99 G100 N101 M108T93-T97 WeakPolarHBondContact O-CB 3.44Å; T93-T97 PolarHBondContact O-N 3.48Å; T93-T97 PolarHBondContact O-OG1 3.23Å; L94-T97 WeakPolarHBondContact O-CB 3.34Å; L94-T97 PolarHBondContact O-N 3.13Å; V95-T97 VanDerWaalsContact C-N 3.29Å; V95-T97 PolarHBondContact O-N 2.87Å; T97-L99 VanDerWaalsContact C-N 3.29Å; T97-L99 PolarHBondContact O-N 3Å; T97-G100 PolarHBondContact O-N 3.22Å; T97-N101 WeakPolarHBondContact O-CB 3.15Å; T97-N101 PolarHBondContact O-N 2.84Å; T97-N101 PolarHBondContact O-OD1 3.25Å; T97-M108 HydrophobicContact CG2-CG 3.86Å
98L97.3Very high94.7Very high12 Ų1227.5 Ų27.56%0.06318%0.181CC..Hα-helixtrans-60.4-40.1175.6-69.7175.6000111.5L45 D48 L49 V53 L94 V95 N101 H102L45-L98 HydrophobicContact CD1-CB 4.2Å; D48-L98 HydrophobicContact CB-CD2 4.17Å; L49-L98 HydrophobicContact CD2-CD1 4.02Å; V53-L98 HydrophobicContact CG2-CD1 3.84Å; L94-L98 HydrophobicContact CD1-CG 4.38Å; L94-L98 HydrophobicContact CG-CD1 4.34Å; L94-L98 WeakPolarHBondContact O-CG 3.41Å; L94-L98 PolarHBondContact O-N 2.9Å; V95-L98 PolarHBondContact O-N 3.43Å; L98-N101 PolarHBondContact O-N 2.73Å; L98-H102 PolarHBondContact O-CD2 3.1Å; L98-H102 VanDerWaalsContact O-CD2 3.25Å; L98-H102 PolarHBondContact O-N 3.2Å
99L96.4Very high94.6Very high1 Ų130.1 Ų30.11%0.00520%0.2CC..Hα-helixtrans-58.5-51.7174-174.165.6000111.2L45 V67 V95 S96 T97 N101 H102 L103 I186 V188L45-L99 HydrophobicContact CD2-CD1 3.86Å; V67-L99 HydrophobicContact CB-CD1 4.47Å; V67-L99 HydrophobicContact CG1-CD1 3.98Å; V67-L99 HydrophobicContact CG2-CD1 3.67Å; V95-L99 PolarHBondContact O-N 3.33Å; S96-L99 WeakPolarHBondContact O-CB 3.16Å; S96-L99 PolarHBondContact O-N 3.26Å; T97-L99 VanDerWaalsContact C-N 3.29Å; T97-L99 PolarHBondContact O-N 3Å; L99-N101 VanDerWaalsContact C-N 3.31Å; L99-N101 PolarHBondContact O-N 3.34Å; L99-H102 PolarHBondContact O-N 3.05Å; L99-L103 HydrophobicContact CD1-CD1 3.7Å; L99-L103 HydrophobicContact CD1-CD2 4.44Å; L99-L103 HydrophobicContact CD1-CG 4Å; L99-L103 HydrophobicContact CD2-CD1 4.42Å; L99-L103 HydrophobicContact CG-CD1 3.67Å; L99-L103 HydrophobicContact CG-CG 4.29Å; L99-L103 WeakPolarHBondContact O-CB 3.47Å; L99-L103 WeakPolarHBondContact O-CG 2.97Å; L99-L103 PolarHBondContact O-N 3.12Å; L99-I186 HydrophobicContact CD2-CG2 4.26Å; L99-V188 HydrophobicContact CD2-CG2 3.85Å
100G94.1Very high94.3Very high0 Ų029.3 Ų29.30%019%0.19CC..Hα-helixtrans-59.9-39.6176.600000113.2S96 T97 H102 Y104S96-G100 PolarHBondContact O-N 2.88Å; S96-G100 VanDerWaalsContact O-N 3.09Å; T97-G100 PolarHBondContact O-N 3.22Å; G100-H102 PolarHBondContact O-N 3.3Å; G100-Y104 PolarHBondContact O-N 2.97Å
101N94.7Very high94.1Very high62 Ų6233.1 Ų33.133%0.33222%0.215SC..Hα-helixtrans-62.9-39.6178.9-69.8-6.4000113.3T97 L98 L99 A107 M108T97-N101 WeakPolarHBondContact O-CB 3.15Å; T97-N101 PolarHBondContact O-N 2.84Å; T97-N101 PolarHBondContact O-OD1 3.25Å; L98-N101 PolarHBondContact O-N 2.73Å; L99-N101 VanDerWaalsContact C-N 3.31Å; L99-N101 PolarHBondContact O-N 3.34Å; N101-A107 HydrophobicContact CB-CB 4.24Å; N101-A107 WeakPolarHBondContact OD1-CB 3.24Å; N101-M108 WeakPolarHBondContact OD1-CG 3.22Å
102H95.7Very high93.9Very high28 Ų2834 Ų3413%0.1321%0.214CC..Hα-helixtrans-94.5-9.9-175.3-73.6-65.5000114.1P40 S41 L45 D48 L98 L99 G100P40-H102 CarbonylContact C-O 3.54Å; P40-H102 VanDerWaalsContact CA-O 3.27Å; P40-H102 WeakPolarHBondContact CA-O 3.25Å; S41-H102 PolarHBondContact N-O 2.88Å; L45-H102 HydrophobicContact CB-CB 3.75Å; L45-H102 HydrophobicContact CD1-CB 4.19Å; L45-H102 HydrophobicContact CG-CB 4.45Å; D48-H102 IonicContact OD2-CD2 3.77Å; D48-H102 IonicContact OD2-CE1 3.33Å; D48-H102 PolarHBondContact OD2-CE1 3.46Å; D48-H102 IonicContact OD2-NE2 3.11Å; D48-H102 PolarHBondContact OD2-NE2 3.19Å; L98-H102 PolarHBondContact O-CD2 3.1Å; L98-H102 VanDerWaalsContact O-CD2 3.25Å; L98-H102 PolarHBondContact O-N 3.2Å; L99-H102 PolarHBondContact O-N 3.05Å; G100-H102 PolarHBondContact O-N 3.3Å
103L93.8Very high93.8Very high2 Ų234 Ų341%0.0122%0.215CC..Hα-helixtrans-88.6-25174.5-70.2179.4000113.5F38 K39 P40 V67 L71 L99 V150 I186F38-L103 HydrophobicContact CD2-CB 4.46Å; F38-L103 WeakPolarHBondContact CD2-O 3.07Å; F38-L103 HydrophobicContact CE2-CB 4.03Å; F38-L103 HydrophobicContact CE2-CD2 3.94Å; F38-L103 HydrophobicContact CE2-CG 4.4Å; F38-L103 HydrophobicContact CZ-CD2 4.21Å; K39-L103 CarbonylContact C-O 3.54Å; K39-L103 PolarHBondContact N-O 3.11Å; P40-L103 HydrophobicContact CB-CD2 4Å; V67-L103 HydrophobicContact CG1-CD2 4.43Å; L71-L103 HydrophobicContact CD1-CD2 3.71Å; L99-L103 HydrophobicContact CD1-CD1 3.7Å; L99-L103 HydrophobicContact CD1-CD2 4.44Å; L99-L103 HydrophobicContact CD1-CG 4Å; L99-L103 HydrophobicContact CD2-CD1 4.42Å; L99-L103 HydrophobicContact CG-CD1 3.67Å; L99-L103 HydrophobicContact CG-CG 4.29Å; L99-L103 WeakPolarHBondContact O-CB 3.47Å; L99-L103 WeakPolarHBondContact O-CG 2.97Å; L99-L103 PolarHBondContact O-N 3.12Å; L103-V150 HydrophobicContact CD1-CG2 3.78Å; L103-I186 HydrophobicContact CD1-CD1 3.64Å
104Y92.3Very high93.8Very high4 Ų432.1 Ų32.12%0.01620%0.202CC..BIsolated β-bridgetrans-131.2142.3-172.1-69.7-84.4000112.3F38 G100 S106 A107 S110 F112 V113 R148 V150F38-Y104 HydrophobicContact CB-CD1 4.36Å; F38-Y104 HydrophobicContact CB-CE1 3.99Å; F38-Y104 HydrophobicContact CD2-CD1 4.48Å; F38-Y104 AromaticContact CD2-CE1 3.98Å; F38-Y104 HydrophobicContact CD2-CE1 3.98Å; F38-Y104 HydrophobicContact CD2-CE2 4.27Å; F38-Y104 AromaticContact CD2-CZ 3.86Å; G100-Y104 PolarHBondContact O-N 2.97Å; Y104-S106 PolarHBondContact O-N 3.46Å; Y104-A107 PolarHBondContact O-N 3.25Å; Y104-S110 VanDerWaalsContact CD1-OG 3.29Å; Y104-S110 WeakPolarHBondContact CD1-OG 3.21Å; Y104-F112 HydrophobicContact CE1-CB 3.69Å; Y104-F112 HydrophobicContact CE1-CD2 4.14Å; Y104-F112 HydrophobicContact CE1-CG 4.33Å; Y104-V113 HydrophobicContact CD2-CG2 3.34Å; Y104-V113 HydrophobicContact CE2-CG2 3.51Å; Y104-V113 HydrophobicContact CG-CG2 4.14Å; Y104-R148 PolarHBondContact OH-O 2.94Å; Y104-V150 HydrophobicContact CE2-CG2 3.7Å
105G84.7Confident93.8Very high53 Ų5332 Ų3255%0.54620%0.2SC..THydrogen-bonded Turntrans-59.8-36.9177.300000113D37 A107D37-G105 PolarHBondContact O-N 3.45Å; G105-A107 VanDerWaalsContact C-N 3.3Å
106S85.8Confident93.7Very high54 Ų5432.9 Ų32.938%0.37820%0.203SC..THydrogen-bonded Turntrans-89.911.9177-52.30000113.3D37 Y104 S109 S110D37-S106 PolarHBondContact OD2-N 3.15Å; D37-S106 VanDerWaalsContact OD2-N 3.16Å; D37-S106 PolarHBondContact OD2-OG 3.19Å; Y104-S106 PolarHBondContact O-N 3.46Å; S106-S109 WeakPolarHBondContact O-CB 3.45Å; S106-S109 PolarHBondContact O-N 3.4Å; S106-S109 PolarHBondContact O-OG 2.89Å; S106-S110 PolarHBondContact O-N 3.05Å
107A90.6Very high93.7Very high29 Ų2934.4 Ų34.424%0.2421%0.213CC..G310 helixtrans52.6-143.6176.500000113.1N101 Y104 G105 S109 S110N101-A107 HydrophobicContact CB-CB 4.24Å; N101-A107 WeakPolarHBondContact OD1-CB 3.24Å; Y104-A107 PolarHBondContact O-N 3.25Å; G105-A107 VanDerWaalsContact C-N 3.3Å; A107-S109 PolarHBondContact O-N 3.2Å; A107-S109 VanDerWaalsContact O-N 3.08Å; A107-S110 WeakPolarHBondContact O-CB 3.14Å; A107-S110 PolarHBondContact O-N 3Å
108M91.1Very high93.5Very high52 Ų5232.5 Ų32.526%0.25620%0.201SC..G310 helixtrans-60.4-14.3175-69.2-60.5-65.200114.9T97 N101 S110 V113 I152T97-M108 HydrophobicContact CG2-CG 3.86Å; N101-M108 WeakPolarHBondContact OD1-CG 3.22Å; M108-S110 VanDerWaalsContact C-N 3.29Å; M108-V113 HydrophobicContact CE-CG1 3.86Å; M108-V113 HydrophobicContact SD-CG1 3.79Å; M108-I152 HydrophobicContact CE-CD1 3.95Å; M108-I152 HydrophobicContact SD-CD1 4.41Å
109S91.8Very high93.3Very high101 Ų10135.5 Ų35.571%0.70622%0.22SC*.G310 helixtrans-85.5-3.2175.174.30000113.4S106 A107S106-S109 WeakPolarHBondContact O-CB 3.45Å; S106-S109 PolarHBondContact O-N 3.4Å; S106-S109 PolarHBondContact O-OG 2.89Å; A107-S109 PolarHBondContact O-N 3.2Å; A107-S109 VanDerWaalsContact O-N 3.08Å
110S91.4Very high93.2Very high3 Ų341.5 Ų41.52%0.02125%0.252CS..SBendtrans-57.3133.9173.5175.70000110.5Y104 S106 A107 M108 F112 V113Y104-S110 VanDerWaalsContact CD1-OG 3.29Å; Y104-S110 WeakPolarHBondContact CD1-OG 3.21Å; S106-S110 PolarHBondContact O-N 3.05Å; A107-S110 WeakPolarHBondContact O-CB 3.14Å; A107-S110 PolarHBondContact O-N 3Å; M108-S110 VanDerWaalsContact C-N 3.29Å; S110-F112 PolarHBondContact O-N 3.34Å; S110-F112 PolarHBondContact OG-N 2.96Å; S110-V113 PolarHBondContact O-N 3.04Å; S110-V113 VanDerWaalsContact O-N 3.11Å
111P92.4Very high93.3Very high85 Ų8545 Ų4555%0.55227%0.268SS*.THydrogen-bonded Turntrans-67-2.8176.430.4-35.9000113H114P111-H114 PolarHBondContact O-CE1 3.26Å
112F94.4Very high93.3Very high38 Ų3842.7 Ų42.717%0.16726%0.255CS..THydrogen-bonded Turntrans-107.23.3179.1-48.6-66.3000113C36 Y104 S110 C146 S149 V150C36-F112 HydrophobicContact CB-CD1 4.11Å; C36-F112 HydrophobicContact CB-CD2 3.58Å; C36-F112 HydrophobicContact CB-CE1 3.82Å; C36-F112 HydrophobicContact CB-CE2 3.24Å; C36-F112 HydrophobicContact CB-CG 4Å; C36-F112 HydrophobicContact CB-CZ 3.38Å; C36-F112 WeakPolarHBondContact O-CD2 3.48Å; C36-F112 WeakPolarHBondContact O-CE2 3.46Å; Y104-F112 HydrophobicContact CE1-CB 3.69Å; Y104-F112 HydrophobicContact CE1-CD2 4.14Å; Y104-F112 HydrophobicContact CE1-CG 4.33Å; S110-F112 PolarHBondContact O-N 3.34Å; S110-F112 PolarHBondContact OG-N 2.96Å; F112-C146 HydrophobicContact CB-CB 4.47Å; F112-C146 HydrophobicContact CD1-CB 3.3Å; F112-C146 HydrophobicContact CE1-CB 3.65Å; F112-C146 HydrophobicContact CG-CB 3.96Å; F112-S149 CarbonylContact O-C 3.57Å; F112-S149 WeakPolarHBondContact O-CA 3.42Å; F112-V150 PolarHBondContact O-N 3.47Å
113V96.2Very high93.3Very high14 Ų1445.8 Ų45.89%0.08528%0.277CS..EExtended strand (participates in β ladder)trans-106.8118.3169.3-178.80000107.8Y104 M108 S110 V150 I152Y104-V113 HydrophobicContact CD2-CG2 3.34Å; Y104-V113 HydrophobicContact CE2-CG2 3.51Å; Y104-V113 HydrophobicContact CG-CG2 4.14Å; M108-V113 HydrophobicContact CE-CG1 3.86Å; M108-V113 HydrophobicContact SD-CG1 3.79Å; S110-V113 PolarHBondContact O-N 3.04Å; S110-V113 VanDerWaalsContact O-N 3.11Å; V113-V150 HydrophobicContact CG2-CB 4.44Å; V113-I152 HydrophobicContact CG1-CD1 4.19Å
114H97.1Very high93.2Very high18 Ų1847.5 Ų47.58%0.08329%0.289CS..EExtended strand (participates in β ladder)trans-121121.9-173.4-50.7-76000109.7P111 F116 W138 N142 V150 F151 I152P111-H114 PolarHBondContact O-CE1 3.26Å; H114-F116 HydrophobicContact CB-CE2 4.09Å; H114-W138 AromaticContact ND1-NE1 3.86Å; H114-N142 PolarHBondContact CE1-OD1 3.46Å; H114-N142 PolarHBondContact NE2-OD1 3.06Å; H114-V150 PolarHBondContact N-O 2.89Å; H114-F151 HydrophobicContact CB-CD1 3.81Å; H114-F151 HydrophobicContact CB-CE1 4.23Å; H114-F151 AromaticContact CD2-CD1 3.68Å; H114-F151 AromaticContact CD2-CE1 3.36Å; H114-F151 WeakPolarHBondContact CD2-CE1 3.3Å; H114-F151 AromaticContact CD2-CZ 3.98Å; H114-F151 AromaticContact CG-CE1 3.93Å; H114-F151 CarbonylContact O-C 3.36Å; H114-F151 WeakPolarHBondContact O-CA 3.41Å; H114-I152 PolarHBondContact O-N 3.18Å
115Q97.1Very high93Very high73 Ų7351.2 Ų51.234%0.34132%0.321SS..EExtended strand (participates in β ladder)trans-112.5126.2177-174.7174-5.900110.8I152Q115-I152 CarbonylContact C-O 3.54Å; Q115-I152 WeakPolarHBondContact CA-O 3.14Å; Q115-I152 HydrophobicContact CB-CB 4.42Å; Q115-I152 HydrophobicContact CG-CB 4.32Å; Q115-I152 HydrophobicContact CG-CG2 4.28Å
116F97.3Very high93.4Very high19 Ų1957.3 Ų57.38%0.08334%0.335CS..EExtended strand (participates in β ladder)trans-110.6129.7174.5-62.8-82.3000109.7H114 F122 L135 W138 F151 I152 F153 D154H114-F116 HydrophobicContact CB-CE2 4.09Å; F116-F122 HydrophobicContact CB-CE2 4.34Å; F116-F122 HydrophobicContact CD1-CE2 4.39Å; F116-F122 AromaticContact CD1-CZ 3.95Å; F116-F122 HydrophobicContact CD1-CZ 3.95Å; F116-L135 HydrophobicContact CE1-CD1 4.28Å; F116-L135 HydrophobicContact CE2-CD1 4.32Å; F116-L135 HydrophobicContact CZ-CD1 4.06Å; F116-W138 AromaticContact CZ-CD1 3.58Å; F116-W138 HydrophobicContact CZ-CG 4.35Å; F116-W138 AromaticContact CZ-NE1 3.69Å; F116-F151 HydrophobicContact CE2-CD1 4.15Å; F116-I152 PolarHBondContact N-O 3.41Å; F116-F153 HydrophobicContact CB-CD1 3.79Å; F116-F153 HydrophobicContact CB-CE1 4.1Å; F116-F153 HydrophobicContact CB-CG 4.5Å; F116-F153 AromaticContact CD2-CD1 3.97Å; F116-F153 HydrophobicContact CD2-CD1 3.97Å; F116-F153 AromaticContact CD2-CE1 3.54Å; F116-F153 HydrophobicContact CD2-CE1 3.54Å; F116-F153 HydrophobicContact CD2-CE2 4.44Å; F116-F153 AromaticContact CD2-CZ 3.8Å; F116-F153 HydrophobicContact CD2-CZ 3.8Å; F116-F153 HydrophobicContact CE2-CE1 4.17Å; F116-F153 HydrophobicContact CE2-CZ 4.11Å; F116-F153 HydrophobicContact CG-CD1 4.13Å; F116-F153 AromaticContact CG-CE1 3.92Å; F116-F153 HydrophobicContact CG-CE1 3.92Å; F116-D154 PolarHBondContact O-N 3.01Å
117V96.1Very high93.8Very high32 Ų3258.1 Ų58.119%0.19434%0.335CS..  trans-117.1112.8171.4-176.40000107.2T119 L120 H121 D154V117-T119 VanDerWaalsContact C-N 3.29Å; V117-T119 WeakPolarHBondContact CG1-OG1 3.47Å; V117-T119 PolarHBondContact O-N 2.03Å; V117-L120 HydrophobicContact CB-CB 4.31Å; V117-L120 PolarHBondContact O-N 3.09Å; V117-H121 PolarHBondContact N-CE1 3.48Å; V117-H121 PolarHBondContact N-ND1 3.38Å; V117-H121 PolarHBondContact O-N 3.3Å; V117-H121 PolarHBondContact O-ND1 2.88Å; V117-D154 HydrophobicContact CG2-CB 4.34Å
118P93.2Very high94Very high2 Ų258 Ų581%0.01333%0.331CS..Hα-helixtrans-55.8-39-172.1-30.335000114.5L120 F122 D154 K158 M159P118-L120 PolarHBondContact O-N 2.78Å; P118-F122 HydrophobicContact CB-CD2 4.38Å; P118-F122 CarbonylContact O-C 3.16Å; P118-F122 VanDerWaalsContact O-CA 3.3Å; P118-F122 WeakPolarHBondContact O-CA 3.41Å; P118-F122 PolarHBondContact O-N 3.47Å; P118-D154 WeakPolarHBondContact CD-O 3.37Å; P118-D154 WeakPolarHBondContact CG-O 3.39Å; P118-K158 HydrophobicContact CB-CB 4.34Å; P118-K158 WeakPolarHBondContact CB-O 3.17Å; P118-M159 HydrophobicContact CB-CB 4.4Å; P118-M159 HydrophobicContact CB-SD 4.18Å; P118-M159 HydrophobicContact CG-CB 4Å; P118-M159 HydrophobicContact CG-SD 3.84Å
119T92.6Very high94.1Very high75 Ų7559.1 Ų59.146%0.4635%0.349SS..Hα-helixtrans-64.9-23.7178.648.10000113.7V117 E155 K158V117-T119 VanDerWaalsContact C-N 3.29Å; V117-T119 WeakPolarHBondContact CG1-OG1 3.47Å; V117-T119 PolarHBondContact O-N 2.03Å; T119-E155 PolarHBondContact OG1-OE2 3.08Å; T119-K158 HydrophobicContact CG2-CB 4.15Å; T119-K158 HydrophobicContact CG2-CD 3.31Å; T119-K158 HydrophobicContact CG2-CG 4.37Å
120L95.4Very high94.4Very high128 Ų12858.9 Ų58.967%0.6734%0.336SS*.Hα-helixtrans-95.3-44.1177.5-179.362.6000111.9V117 P118V117-L120 HydrophobicContact CB-CB 4.31Å; V117-L120 PolarHBondContact O-N 3.09Å; P118-L120 PolarHBondContact O-N 2.78Å
121H96.4Very high94.7Very high74 Ų7459.6 Ų59.634%0.34334%0.339SS..Hα-helixtrans-93.3-27.6-170.1-60.685.6000113.1V117 P123V117-H121 PolarHBondContact N-CE1 3.48Å; V117-H121 PolarHBondContact N-ND1 3.38Å; V117-H121 PolarHBondContact O-N 3.3Å; V117-H121 PolarHBondContact O-ND1 2.88Å; H121-P123 VanDerWaalsContact C-CD 3.41Å
122F94.9Very high94.8Very high13 Ų1359.6 Ų59.66%0.05733%0.328CS..SBendtrans-131.852-174.9-44.9-55.7000111.9F116 P118 S124 Y131 L135 M159 P160 L163F116-F122 HydrophobicContact CB-CE2 4.34Å; F116-F122 HydrophobicContact CD1-CE2 4.39Å; F116-F122 AromaticContact CD1-CZ 3.95Å; F116-F122 HydrophobicContact CD1-CZ 3.95Å; P118-F122 HydrophobicContact CB-CD2 4.38Å; P118-F122 CarbonylContact O-C 3.16Å; P118-F122 VanDerWaalsContact O-CA 3.3Å; P118-F122 WeakPolarHBondContact O-CA 3.41Å; P118-F122 PolarHBondContact O-N 3.47Å; F122-S124 VanDerWaalsContact C-N 3.35Å; F122-S124 PolarHBondContact O-N 3.3Å; F122-Y131 HydrophobicContact CB-CD2 3.85Å; F122-Y131 HydrophobicContact CB-CE2 4.02Å; F122-Y131 HydrophobicContact CD1-CD1 4.23Å; F122-Y131 AromaticContact CD1-CD2 3.99Å; F122-Y131 HydrophobicContact CD1-CD2 3.99Å; F122-Y131 AromaticContact CD1-CG 3.78Å; F122-Y131 HydrophobicContact CD1-CG 3.78Å; F122-Y131 HydrophobicContact CG-CD2 4.35Å; F122-L135 HydrophobicContact CZ-CD1 4.45Å; F122-L135 HydrophobicContact CZ-CD2 4.47Å; F122-M159 HydrophobicContact CD2-CE 4.06Å; F122-M159 HydrophobicContact CD2-SD 3.63Å; F122-M159 HydrophobicContact CE2-CE 3.87Å; F122-M159 HydrophobicContact CE2-SD 3.94Å; F122-P160 HydrophobicContact CB-CG 4.09Å; F122-L163 HydrophobicContact CB-CD2 3.8Å; F122-L163 HydrophobicContact CD1-CD2 3.78Å; F122-L163 HydrophobicContact CD2-CD2 3.55Å; F122-L163 HydrophobicContact CE1-CD2 4.25Å; F122-L163 HydrophobicContact CE2-CD2 4.05Å; F122-L163 HydrophobicContact CG-CD2 3.41Å; F122-L163 VanDerWaalsContact CG-CD2 3.41Å; F122-L163 HydrophobicContact CZ-CD2 4.38Å
123P94.3Very high94.9Very high92 Ų9263.2 Ų63.260%0.59735%0.345SS*.  trans-71.4-24.1-167.228.9-37.3000114.6H121H121-P123 VanDerWaalsContact C-CD 3.41Å
124S93.1Very high94.9Very high38 Ų3867.1 Ų67.127%0.26636%0.363SS..  trans-110.7122.3-173.9179.20000112.4F122 E126 L127 Y131F122-S124 VanDerWaalsContact C-N 3.35Å; F122-S124 PolarHBondContact O-N 3.3Å; S124-E126 PolarHBondContact O-N 3.38Å; S124-E126 PolarHBondContact OG-N 2.77Å; S124-L127 PolarHBondContact O-N 3.01Å; S124-Y131 WeakPolarHBondContact O-CE2 3.4Å
125A86.6Confident94.9Very high82 Ų8266.4 Ų66.468%0.67836%0.359SS*.G310 helixtrans-64.9-22.9176.500000113.3L127 V128A125-L127 VanDerWaalsContact C-N 3.28Å; A125-L127 PolarHBondContact O-N 2.8Å; A125-V128 VanDerWaalsContact O-CG2 3.23Å; A125-V128 WeakPolarHBondContact O-CG2 3.04Å
126E92.8Very high94.9Very high182 Ų18267.1 Ų67.185%0.8536%0.361SS*.G310 helixtrans-72.9-24179.7-61.6-180174.500112.4S124S124-E126 PolarHBondContact O-N 3.38Å; S124-E126 PolarHBondContact OG-N 2.77Å
127L95.6Very high94.8Very high71 Ų7170.2 Ų70.237%0.37239%0.385SS..G310 helixtrans-96.59-175.9-63.1179.8000113S124 A125 A129 Q130 Y131S124-L127 PolarHBondContact O-N 3.01Å; A125-L127 VanDerWaalsContact C-N 3.28Å; A125-L127 PolarHBondContact O-N 2.8Å; L127-A129 PolarHBondContact O-N 2.72Å; L127-A129 VanDerWaalsContact O-N 3.17Å; L127-Q130 WeakPolarHBondContact O-CA 3.46Å; L127-Q130 WeakPolarHBondContact O-CB 3.25Å; L127-Q130 PolarHBondContact O-N 2.97Å; L127-Y131 HydrophobicContact CB-CD1 4.35Å; L127-Y131 HydrophobicContact CB-CD2 4.2Å; L127-Y131 HydrophobicContact CB-CE1 3.8Å; L127-Y131 HydrophobicContact CB-CE2 3.65Å; L127-Y131 VanDerWaalsContact CB-CZ 3.41Å; L127-Y131 HydrophobicContact CD1-CE1 4.28Å; L127-Y131 WeakPolarHBondContact CD1-OH 3.45Å; L127-Y131 WeakPolarHBondContact O-CD2 3.29Å; L127-Y131 PolarHBondContact O-N 3.01Å
128V93.6Very high94.8Very high26 Ų2675.1 Ų75.116%0.15840%0.4CS..Hα-helixtrans-54.7-39.5-177.3169.80000112.3A125 Q130 Y131 R132 P160 L163A125-V128 VanDerWaalsContact O-CG2 3.23Å; A125-V128 WeakPolarHBondContact O-CG2 3.04Å; V128-Q130 VanDerWaalsContact C-N 3.33Å; V128-Q130 PolarHBondContact O-N 3.44Å; V128-Y131 PolarHBondContact O-N 3.23Å; V128-R132 HydrophobicContact CG1-CG 4.39Å; V128-R132 VanDerWaalsContact O-CG 3.23Å; V128-R132 WeakPolarHBondContact O-CG 3.27Å; V128-R132 PolarHBondContact O-N 3.34Å; V128-P160 HydrophobicContact CG2-CB 3.46Å; V128-P160 VanDerWaalsContact CG2-CB 3.46Å; V128-P160 HydrophobicContact CG2-CG 4.19Å; V128-L163 HydrophobicContact CG1-CB 4.38Å
129A95Very high94.9Very high76 Ų7675 Ų7563%0.62840%0.4SS*.Hα-helixtrans-61.2-41.4177.200000112.4L127L127-A129 PolarHBondContact O-N 2.72Å; L127-A129 VanDerWaalsContact O-N 3.17Å
130Q96.8Very high94.9Very high96 Ų9675.9 Ų75.945%0.44940%0.397SS..Hα-helixtrans-68.3-47.5176177.2-179.8-9.800111.1L127 V128 R132 E133 E134L127-Q130 WeakPolarHBondContact O-CA 3.46Å; L127-Q130 WeakPolarHBondContact O-CB 3.25Å; L127-Q130 PolarHBondContact O-N 2.97Å; V128-Q130 VanDerWaalsContact C-N 3.33Å; V128-Q130 PolarHBondContact O-N 3.44Å; Q130-R132 PolarHBondContact O-N 3.36Å; Q130-E133 PolarHBondContact O-N 2.85Å; Q130-E133 VanDerWaalsContact O-N 3.08Å; Q130-E134 HydrophobicContact CG-CG 4.32Å; Q130-E134 WeakPolarHBondContact CG-OE1 3.48Å; Q130-E134 PolarHBondContact NE2-OE1 2.86Å; Q130-E134 WeakPolarHBondContact O-CG 3.49Å; Q130-E134 PolarHBondContact O-N 3.32Å
131Y97.1Very high94.7Very high18 Ų1871.8 Ų71.87%0.07139%0.386CS..Hα-helixtrans-59.4-33.2179.2-60.4-28.9000112.7F122 S124 L127 V128 L135F122-Y131 HydrophobicContact CB-CD2 3.85Å; F122-Y131 HydrophobicContact CB-CE2 4.02Å; F122-Y131 HydrophobicContact CD1-CD1 4.23Å; F122-Y131 AromaticContact CD1-CD2 3.99Å; F122-Y131 HydrophobicContact CD1-CD2 3.99Å; F122-Y131 AromaticContact CD1-CG 3.78Å; F122-Y131 HydrophobicContact CD1-CG 3.78Å; F122-Y131 HydrophobicContact CG-CD2 4.35Å; S124-Y131 WeakPolarHBondContact O-CE2 3.4Å; L127-Y131 HydrophobicContact CB-CD1 4.35Å; L127-Y131 HydrophobicContact CB-CD2 4.2Å; L127-Y131 HydrophobicContact CB-CE1 3.8Å; L127-Y131 HydrophobicContact CB-CE2 3.65Å; L127-Y131 VanDerWaalsContact CB-CZ 3.41Å; L127-Y131 HydrophobicContact CD1-CE1 4.28Å; L127-Y131 WeakPolarHBondContact CD1-OH 3.45Å; L127-Y131 WeakPolarHBondContact O-CD2 3.29Å; L127-Y131 PolarHBondContact O-N 3.01Å; V128-Y131 PolarHBondContact O-N 3.23Å; Y131-L135 WeakPolarHBondContact O-CB 3.36Å; Y131-L135 PolarHBondContact O-N 3.46Å
132R95.8Very high94.5Very high85 Ų8569.6 Ų69.632%0.32138%0.377SS..Hα-helixtrans-60-50.2174.1-75.1172.575.6121.212.8110.9V128 Q130 L135 K136 G162 L163 V166V128-R132 HydrophobicContact CG1-CG 4.39Å; V128-R132 VanDerWaalsContact O-CG 3.23Å; V128-R132 WeakPolarHBondContact O-CG 3.27Å; V128-R132 PolarHBondContact O-N 3.34Å; Q130-R132 PolarHBondContact O-N 3.36Å; R132-L135 PolarHBondContact O-N 3.44Å; R132-K136 VanDerWaalsContact O-CB 3.25Å; R132-K136 WeakPolarHBondContact O-CB 3.48Å; R132-K136 PolarHBondContact O-N 3.04Å; R132-G162 VanDerWaalsContact CZ-O 3.26Å; R132-G162 PolarHBondContact NH1-O 3.3Å; R132-L163 HydrophobicContact CB-CD1 4.21Å; R132-L163 HydrophobicContact CG-CD1 3.52Å; R132-V166 HydrophobicContact CB-CB 4.37Å; R132-V166 HydrophobicContact CB-CG2 4.26Å; R132-V166 HydrophobicContact CG-CB 4.48Å; R132-V166 WeakPolarHBondContact O-CG2 3.27Å
133E96.4Very high94.3Very high114 Ų11469 Ų6953%0.53337%0.374SS..Hα-helixtrans-67.1-39.9-179.7-67-53.5129.900112.1Q130 K136 S137Q130-E133 PolarHBondContact O-N 2.85Å; Q130-E133 VanDerWaalsContact O-N 3.08Å; E133-K136 PolarHBondContact O-N 3.37Å; E133-S137 VanDerWaalsContact O-CB 3.27Å; E133-S137 WeakPolarHBondContact O-CB 3.38Å; E133-S137 PolarHBondContact O-N 2.77Å
134E96.6Very high94.1Very high96 Ų9667.3 Ų67.345%0.44936%0.362SS..Hα-helixtrans-62.2-49.3175.5-71.1176.2178.100111.8Q130 K136 S137 W138Q130-E134 HydrophobicContact CG-CG 4.32Å; Q130-E134 WeakPolarHBondContact CG-OE1 3.48Å; Q130-E134 PolarHBondContact NE2-OE1 2.86Å; Q130-E134 WeakPolarHBondContact O-CG 3.49Å; Q130-E134 PolarHBondContact O-N 3.32Å; E134-K136 PolarHBondContact O-N 3.43Å; E134-S137 PolarHBondContact O-N 3.39Å; E134-W138 VanDerWaalsContact O-CB 3.26Å; E134-W138 WeakPolarHBondContact O-CB 3.45Å; E134-W138 PolarHBondContact O-N 2.88Å
135L97.2Very high93.8Very high3 Ų368.6 Ų68.62%0.01638%0.375CS..Hα-helixtrans-62.1-44.1178.8178.358.9000111.4F116 F122 Y131 R132 W138 V139 F153 M159 V166 L167F116-L135 HydrophobicContact CE1-CD1 4.28Å; F116-L135 HydrophobicContact CE2-CD1 4.32Å; F116-L135 HydrophobicContact CZ-CD1 4.06Å; F122-L135 HydrophobicContact CZ-CD1 4.45Å; F122-L135 HydrophobicContact CZ-CD2 4.47Å; Y131-L135 WeakPolarHBondContact O-CB 3.36Å; Y131-L135 PolarHBondContact O-N 3.46Å; R132-L135 PolarHBondContact O-N 3.44Å; L135-W138 PolarHBondContact O-N 3.27Å; L135-V139 HydrophobicContact CD1-CG2 3.96Å; L135-V139 WeakPolarHBondContact O-CB 3.13Å; L135-V139 WeakPolarHBondContact O-CG2 3.33Å; L135-V139 PolarHBondContact O-N 2.93Å; L135-F153 HydrophobicContact CD1-CE1 3.98Å; L135-F153 HydrophobicContact CD1-CZ 4.18Å; L135-F153 HydrophobicContact CD2-CE1 4.21Å; L135-M159 HydrophobicContact CD2-CE 4.32Å; L135-V166 HydrophobicContact CB-CG1 4.23Å; L135-V166 HydrophobicContact CD2-CG1 3.82Å; L135-V166 HydrophobicContact CG-CG1 4.04Å; L135-L167 HydrophobicContact CD1-CD2 4.5Å; L135-L167 HydrophobicContact CD2-CD2 4.16Å; L135-L167 HydrophobicContact CD2-CG 4.4Å; L135-L167 HydrophobicContact CG-CD2 4.06Å
136K95.3Very high93.9Very high88 Ų8864.8 Ų64.838%0.38334%0.343SS..Hα-helixtrans-59.2-48.5176.4-171.9-178.8-179.2179.60111.9R132 E133 E134 W138 K140 V166 F170R132-K136 VanDerWaalsContact O-CB 3.25Å; R132-K136 WeakPolarHBondContact O-CB 3.48Å; R132-K136 PolarHBondContact O-N 3.04Å; E133-K136 PolarHBondContact O-N 3.37Å; E134-K136 PolarHBondContact O-N 3.43Å; K136-W138 VanDerWaalsContact C-N 3.34Å; K136-K140 VanDerWaalsContact O-CB 3.24Å; K136-K140 WeakPolarHBondContact O-CB 3.24Å; K136-K140 PolarHBondContact O-N 3.12Å; K136-V166 HydrophobicContact CB-CG2 3.65Å; K136-V166 HydrophobicContact CD-CG2 3.87Å; K136-V166 HydrophobicContact CG-CG2 4.01Å; K136-F170 HydrophobicContact CG-CE2 4.11Å; K136-F170 HydrophobicContact CG-CZ 4.1Å
137S95.2Very high93.8Very high83 Ų8357 Ų5758%0.5831%0.31SS*.Hα-helixtrans-63.3-43.5179.2-172.30000110.9E133 E134 K140 G141E133-S137 VanDerWaalsContact O-CB 3.27Å; E133-S137 WeakPolarHBondContact O-CB 3.38Å; E133-S137 PolarHBondContact O-N 2.77Å; E134-S137 PolarHBondContact O-N 3.39Å; S137-K140 PolarHBondContact O-N 2.79Å; S137-G141 PolarHBondContact O-N 3.41Å
138W96.6Very high93.6Very high135 Ų13554.3 Ų54.351%0.51130%0.295SS..Hα-helixtrans-61.4-50.7178.3-174.6-85000112.6H114 F116 E134 L135 K136 G141 N142H114-W138 AromaticContact ND1-NE1 3.86Å; F116-W138 AromaticContact CZ-CD1 3.58Å; F116-W138 HydrophobicContact CZ-CG 4.35Å; F116-W138 AromaticContact CZ-NE1 3.69Å; E134-W138 VanDerWaalsContact O-CB 3.26Å; E134-W138 WeakPolarHBondContact O-CB 3.45Å; E134-W138 PolarHBondContact O-N 2.88Å; L135-W138 PolarHBondContact O-N 3.27Å; K136-W138 VanDerWaalsContact C-N 3.34Å; W138-G141 PolarHBondContact O-N 2.98Å; W138-N142 VanDerWaalsContact CD1-ND2 3.34Å; W138-N142 VanDerWaalsContact CE2-ND2 3.34Å; W138-N142 PolarHBondContact NE1-ND2 3.29Å; W138-N142 VanDerWaalsContact NE1-ND2 3.11Å; W138-N142 PolarHBondContact O-N 2.88Å; W138-N142 PolarHBondContact O-ND2 2.98Å
139V95.2Very high93.7Very high0 Ų053.1 Ų53.10%029%0.287CS..Hα-helixtrans-62.6-47.6179.3170.10000110.1L135 G141 N142 L143 F151 L167 F170L135-V139 HydrophobicContact CD1-CG2 3.96Å; L135-V139 WeakPolarHBondContact O-CB 3.13Å; L135-V139 WeakPolarHBondContact O-CG2 3.33Å; L135-V139 PolarHBondContact O-N 2.93Å; V139-G141 VanDerWaalsContact C-N 3.34Å; V139-G141 PolarHBondContact O-N 3.27Å; V139-N142 PolarHBondContact O-N 3.21Å; V139-L143 HydrophobicContact CG1-CD1 3.64Å; V139-L143 HydrophobicContact CG1-CG 4.18Å; V139-L143 VanDerWaalsContact O-CB 3.29Å; V139-L143 WeakPolarHBondContact O-CB 3.36Å; V139-L143 VanDerWaalsContact O-CG 3.23Å; V139-L143 WeakPolarHBondContact O-CG 3.17Å; V139-L143 PolarHBondContact O-N 3.04Å; V139-F151 HydrophobicContact CB-CE1 4.44Å; V139-F151 HydrophobicContact CB-CZ 4.42Å; V139-F151 HydrophobicContact CG1-CE2 4.27Å; V139-F151 HydrophobicContact CG1-CZ 4.09Å; V139-F151 HydrophobicContact CG2-CD1 4.18Å; V139-F151 HydrophobicContact CG2-CE1 3.97Å; V139-F151 HydrophobicContact CG2-CZ 4.37Å; V139-L167 HydrophobicContact CB-CD2 4.42Å; V139-L167 HydrophobicContact CG1-CD2 4.47Å; V139-L167 HydrophobicContact CG2-CD2 3.82Å; V139-F170 HydrophobicContact CB-CD2 4.46Å; V139-F170 HydrophobicContact CB-CE2 4.35Å; V139-F170 HydrophobicContact CG1-CB 4.43Å; V139-F170 HydrophobicContact CG1-CD1 4.37Å; V139-F170 HydrophobicContact CG1-CD2 3.76Å; V139-F170 HydrophobicContact CG1-CE2 4.07Å; V139-F170 HydrophobicContact CG1-CG 3.94Å; V139-F170 HydrophobicContact CG1-CZ 4.49Å
140K92.8Very high93.8Very high93 Ų9349.5 Ų49.540%0.40426%0.257SS..Hα-helixtrans-58.4-44.5176.7-176.8-178.7176.6-176.20112.4K136 S137 T144 F170K136-K140 VanDerWaalsContact O-CB 3.24Å; K136-K140 WeakPolarHBondContact O-CB 3.24Å; K136-K140 PolarHBondContact O-N 3.12Å; S137-K140 PolarHBondContact O-N 2.79Å; K140-T144 WeakPolarHBondContact O-CB 3.28Å; K140-T144 PolarHBondContact O-N 3.33Å; K140-T144 PolarHBondContact O-OG1 3.29Å; K140-F170 HydrophobicContact CB-CE1 4.13Å; K140-F170 HydrophobicContact CB-CZ 4.03Å
141G91.8Very high93.8Very high42 Ų4244.9 Ų44.943%0.43324%0.236SC..Hα-helixtrans-62.4-48.3179.600000112.1S137 W138 V139 T144 A145S137-G141 PolarHBondContact O-N 3.41Å; W138-G141 PolarHBondContact O-N 2.98Å; V139-G141 VanDerWaalsContact C-N 3.34Å; V139-G141 PolarHBondContact O-N 3.27Å; G141-T144 WeakPolarHBondContact O-CB 3.45Å; G141-T144 PolarHBondContact O-N 2.99Å; G141-A145 PolarHBondContact O-N 2.89Å
142N93Very high93.9Very high29 Ų2944 Ų4416%0.15523%0.233CC..Hα-helixtrans-68.9-39.2179.6-76.2-72.7000112.4H114 W138 V139 T144 A145 C146 F151H114-N142 PolarHBondContact CE1-OD1 3.46Å; H114-N142 PolarHBondContact NE2-OD1 3.06Å; W138-N142 VanDerWaalsContact CD1-ND2 3.34Å; W138-N142 VanDerWaalsContact CE2-ND2 3.34Å; W138-N142 PolarHBondContact NE1-ND2 3.29Å; W138-N142 VanDerWaalsContact NE1-ND2 3.11Å; W138-N142 PolarHBondContact O-N 2.88Å; W138-N142 PolarHBondContact O-ND2 2.98Å; V139-N142 PolarHBondContact O-N 3.21Å; N142-T144 VanDerWaalsContact C-N 3.26Å; N142-T144 PolarHBondContact O-N 3.37Å; N142-A145 CarbonylContact O-C 3.55Å; N142-A145 PolarHBondContact O-N 3.25Å; N142-A145 VanDerWaalsContact O-N 3.11Å; N142-C146 PolarHBondContact O-N 3.13Å; N142-F151 HydrophobicContact CB-CE1 4.24Å; N142-F151 HydrophobicContact CB-CZ 4.06Å
143L90.6Very high94Very high0 Ų040 Ų400%022%0.218CC..Hα-helixtrans-63.6-32.3173.4-74.2175.7000112.8V139 C146 A147 F151 F170 T180 Y182 A185V139-L143 HydrophobicContact CG1-CD1 3.64Å; V139-L143 HydrophobicContact CG1-CG 4.18Å; V139-L143 VanDerWaalsContact O-CB 3.29Å; V139-L143 WeakPolarHBondContact O-CB 3.36Å; V139-L143 VanDerWaalsContact O-CG 3.23Å; V139-L143 WeakPolarHBondContact O-CG 3.17Å; V139-L143 PolarHBondContact O-N 3.04Å; L143-C146 WeakPolarHBondContact CA-O 3.38Å; L143-C146 CarbonylContact O-C 3.45Å; L143-C146 VanDerWaalsContact O-C 3.28Å; L143-A147 PolarHBondContact O-N 3.48Å; L143-F151 HydrophobicContact CD2-CE2 3.78Å; L143-F151 HydrophobicContact CD2-CZ 4.3Å; L143-F151 HydrophobicContact CG-CE2 3.98Å; L143-F151 HydrophobicContact CG-CZ 4.11Å; L143-F170 HydrophobicContact CD1-CB 4.35Å; L143-F170 HydrophobicContact CD1-CD1 3.88Å; L143-F170 HydrophobicContact CD1-CG 4.27Å; L143-T180 WeakPolarHBondContact O-CG2 3.44Å; L143-Y182 HydrophobicContact CB-CD1 3.61Å; L143-Y182 HydrophobicContact CB-CD2 4.46Å; L143-Y182 HydrophobicContact CB-CE1 3.56Å; L143-Y182 HydrophobicContact CB-CE2 4.41Å; L143-Y182 HydrophobicContact CB-CG 4.08Å; L143-Y182 HydrophobicContact CD1-CD1 4.26Å; L143-Y182 HydrophobicContact CD1-CD2 3.92Å; L143-Y182 HydrophobicContact CD1-CE2 4.37Å; L143-Y182 HydrophobicContact CD1-CG 3.86Å; L143-Y182 HydrophobicContact CG-CD1 4.4Å; L143-Y182 HydrophobicContact CG-CG 4.46Å; L143-A185 HydrophobicContact CD2-CB 3.51Å
144T88.4Confident94Very high57 Ų5735.7 Ų35.735%0.3520%0.198SC..Hα-helixtrans-71.9-33.7174-54.80000111.5K140 G141 N142 Y182K140-T144 WeakPolarHBondContact O-CB 3.28Å; K140-T144 PolarHBondContact O-N 3.33Å; K140-T144 PolarHBondContact O-OG1 3.29Å; G141-T144 WeakPolarHBondContact O-CB 3.45Å; G141-T144 PolarHBondContact O-N 2.99Å; N142-T144 VanDerWaalsContact C-N 3.26Å; N142-T144 PolarHBondContact O-N 3.37Å; T144-Y182 PolarHBondContact OG1-OH 2.68Å
145A87.9Confident93.8Very high64 Ų6433.4 Ų33.453%0.52919%0.187SC..Hα-helixtrans-73.9-36.5173.800000112G141 N142G141-A145 PolarHBondContact O-N 2.89Å; N142-A145 CarbonylContact O-C 3.55Å; N142-A145 PolarHBondContact O-N 3.25Å; N142-A145 VanDerWaalsContact O-N 3.11Å
146C89.2Confident93.6Very high2 Ų233.2 Ų33.21%0.01419%0.186CC..  trans-151.2116.4179.8-1640000113.3C36 F112 N142 L143 R148 S149C36-C146 HydrophobicContact CB-CB 3.75Å; C36-C146 WeakPolarHBondContact CB-SG 3.02Å; C36-C146 WeakPolarHBondContact SG-CA 3.36Å; C36-C146 WeakPolarHBondContact SG-CB 3.39Å; C36-C146 CovalentContact SG-SG 2.02Å; C36-C146 PolarHBondContact SG-SG 3.32Å; F112-C146 HydrophobicContact CB-CB 4.47Å; F112-C146 HydrophobicContact CD1-CB 3.3Å; F112-C146 HydrophobicContact CE1-CB 3.65Å; F112-C146 HydrophobicContact CG-CB 3.96Å; N142-C146 PolarHBondContact O-N 3.13Å; L143-C146 WeakPolarHBondContact CA-O 3.38Å; L143-C146 CarbonylContact O-C 3.45Å; L143-C146 VanDerWaalsContact O-C 3.28Å; C146-R148 PolarHBondContact O-N 3.24Å; C146-S149 PolarHBondContact O-N 2.96Å; C146-S149 PolarHBondContact O-OG 2.99Å
147A89.3Confident93.3Very high18 Ų1831 Ų3115%0.14918%0.177CC..THydrogen-bonded Turntrans-61.2-27176.100000114L143 T180 N181 K184 A185L143-A147 PolarHBondContact O-N 3.48Å; A147-T180 HydrophobicContact CB-CG2 3.64Å; A147-N181 WeakPolarHBondContact CB-O 3.27Å; A147-K184 HydrophobicContact CB-CB 4.17Å; A147-K184 HydrophobicContact CB-CD 4.43Å; A147-K184 CarbonylContact O-C 3.58Å; A147-K184 WeakPolarHBondContact O-CB 3.04Å; A147-A185 WeakPolarHBondContact O-CA 3.36Å; A147-A185 PolarHBondContact O-N 3.19Å
148R92.4Very high93.2Very high16 Ų1631.9 Ų31.96%0.0617%0.171CC..THydrogen-bonded Turntrans-92.26.5-174.7-74.2-76.1-177.8-162.19113.6F38 Y104 C146 K184F38-R148 HydrophobicContact CB-CB 4.45Å; F38-R148 HydrophobicContact CD1-CB 4.48Å; F38-R148 HydrophobicContact CD1-CG 4.09Å; F38-R148 HydrophobicContact CD2-CB 3.97Å; F38-R148 HydrophobicContact CD2-CG 4.41Å; F38-R148 HydrophobicContact CE1-CG 4.3Å; F38-R148 HydrophobicContact CE2-CB 4.36Å; F38-R148 HydrophobicContact CG-CB 4.04Å; F38-R148 HydrophobicContact CG-CG 4.17Å; Y104-R148 PolarHBondContact OH-O 2.94Å; C146-R148 PolarHBondContact O-N 3.24Å; R148-K184 WeakPolarHBondContact CD-O 3.48Å; R148-K184 HydrophobicContact CG-CB 4.29Å; R148-K184 PolarHBondContact NH1-O 3.09Å
149S94.6Very high93Very high0 Ų025.9 Ų25.90%015%0.149CC..  trans-50.4143.3180-76.10000113.2F112 C146 A185 I186F112-S149 CarbonylContact O-C 3.57Å; F112-S149 WeakPolarHBondContact O-CA 3.42Å; C146-S149 PolarHBondContact O-N 2.96Å; C146-S149 PolarHBondContact O-OG 2.99Å; S149-A185 WeakPolarHBondContact O-CA 3.42Å; S149-I186 PolarHBondContact O-N 3.41Å; S149-I186 VanDerWaalsContact O-N 3.12Å
150V97.2Very high92.8Very high0 Ų026.8 Ų26.80%015%0.154CC..EExtended strand (participates in β ladder)trans-109.3127.1177.6-1800000108.8L103 Y104 F112 V113 H114 I152 I186L103-V150 HydrophobicContact CD1-CG2 3.78Å; Y104-V150 HydrophobicContact CE2-CG2 3.7Å; F112-V150 PolarHBondContact O-N 3.47Å; V113-V150 HydrophobicContact CG2-CB 4.44Å; H114-V150 PolarHBondContact N-O 2.89Å; V150-I152 HydrophobicContact CG1-CD1 4.48Å; V150-I152 HydrophobicContact CG1-CG1 4.1Å; V150-I186 CarbonylContact C-O 3.57Å; V150-I186 WeakPolarHBondContact CA-O 3.43Å; V150-I186 HydrophobicContact CG1-CB 4.48Å; V150-I186 HydrophobicContact CG2-CB 4.17Å; V150-I186 HydrophobicContact CG2-CD1 4.44Å
151F98.1Very high92.5Very high0 Ų026.7 Ų26.70%017%0.171CC..EExtended strand (participates in β ladder)trans-116.7117177-57.3-83.8000110.1H114 F116 V139 N142 L143 F153 I186 Y187 V188H114-F151 HydrophobicContact CB-CD1 3.81Å; H114-F151 HydrophobicContact CB-CE1 4.23Å; H114-F151 AromaticContact CD2-CD1 3.68Å; H114-F151 AromaticContact CD2-CE1 3.36Å; H114-F151 WeakPolarHBondContact CD2-CE1 3.3Å; H114-F151 AromaticContact CD2-CZ 3.98Å; H114-F151 AromaticContact CG-CE1 3.93Å; H114-F151 CarbonylContact O-C 3.36Å; H114-F151 WeakPolarHBondContact O-CA 3.41Å; F116-F151 HydrophobicContact CE2-CD1 4.15Å; V139-F151 HydrophobicContact CB-CE1 4.44Å; V139-F151 HydrophobicContact CB-CZ 4.42Å; V139-F151 HydrophobicContact CG1-CE2 4.27Å; V139-F151 HydrophobicContact CG1-CZ 4.09Å; V139-F151 HydrophobicContact CG2-CD1 4.18Å; V139-F151 HydrophobicContact CG2-CE1 3.97Å; V139-F151 HydrophobicContact CG2-CZ 4.37Å; N142-F151 HydrophobicContact CB-CE1 4.24Å; N142-F151 HydrophobicContact CB-CZ 4.06Å; L143-F151 HydrophobicContact CD2-CE2 3.78Å; L143-F151 HydrophobicContact CD2-CZ 4.3Å; L143-F151 HydrophobicContact CG-CE2 3.98Å; L143-F151 HydrophobicContact CG-CZ 4.11Å; F151-F153 HydrophobicContact CB-CD2 4.48Å; F151-F153 HydrophobicContact CB-CE2 3.69Å; F151-F153 HydrophobicContact CB-CZ 4.33Å; F151-I186 PolarHBondContact N-O 3.2Å; F151-Y187 HydrophobicContact CB-CD1 3.81Å; F151-Y187 HydrophobicContact CB-CE1 4Å; F151-Y187 HydrophobicContact CD2-CD1 4.03Å; F151-Y187 AromaticContact CD2-CE1 3.5Å; F151-Y187 HydrophobicContact CD2-CE1 3.5Å; F151-Y187 VanDerWaalsContact CD2-CE1 3.5Å; F151-Y187 HydrophobicContact CD2-CE2 4.47Å; F151-Y187 AromaticContact CD2-CZ 3.75Å; F151-Y187 HydrophobicContact CE2-CE1 4.25Å; F151-Y187 HydrophobicContact CG-CD1 4.27Å; F151-Y187 AromaticContact CG-CE1 3.96Å; F151-Y187 HydrophobicContact CG-CE1 3.96Å; F151-Y187 CarbonylContact O-C 3.53Å; F151-Y187 WeakPolarHBondContact O-CA 2.95Å; F151-V188 PolarHBondContact O-N 3.3Å
152I98.5Very high92.2Very high0 Ų025.6 Ų25.60%016%0.16CC..EExtended strand (participates in β ladder)trans-107.8121.9179.7-57.5165.7000107.7M108 V113 H114 Q115 F116 V150 V188 I190M108-I152 HydrophobicContact CE-CD1 3.95Å; M108-I152 HydrophobicContact SD-CD1 4.41Å; V113-I152 HydrophobicContact CG1-CD1 4.19Å; H114-I152 PolarHBondContact O-N 3.18Å; Q115-I152 CarbonylContact C-O 3.54Å; Q115-I152 WeakPolarHBondContact CA-O 3.14Å; Q115-I152 HydrophobicContact CB-CB 4.42Å; Q115-I152 HydrophobicContact CG-CB 4.32Å; Q115-I152 HydrophobicContact CG-CG2 4.28Å; F116-I152 PolarHBondContact N-O 3.41Å; V150-I152 HydrophobicContact CG1-CD1 4.48Å; V150-I152 HydrophobicContact CG1-CG1 4.1Å; I152-V188 CarbonylContact C-O 3.58Å; I152-V188 WeakPolarHBondContact CA-O 3.33Å; I152-V188 HydrophobicContact CG1-CB 4.27Å; I152-I190 HydrophobicContact CG2-CD1 3.89Å
153F97.3Very high92.2Very high1 Ų124.2 Ų24.20%0.00415%0.152CC..EExtended strand (participates in β ladder)trans-111.4105.1173.4-60.3-97.8000108.3F116 L135 F151 M156 I164 L167 Y187 V188 F189 I190F116-F153 HydrophobicContact CB-CD1 3.79Å; F116-F153 HydrophobicContact CB-CE1 4.1Å; F116-F153 HydrophobicContact CB-CG 4.5Å; F116-F153 AromaticContact CD2-CD1 3.97Å; F116-F153 HydrophobicContact CD2-CD1 3.97Å; F116-F153 AromaticContact CD2-CE1 3.54Å; F116-F153 HydrophobicContact CD2-CE1 3.54Å; F116-F153 HydrophobicContact CD2-CE2 4.44Å; F116-F153 AromaticContact CD2-CZ 3.8Å; F116-F153 HydrophobicContact CD2-CZ 3.8Å; F116-F153 HydrophobicContact CE2-CE1 4.17Å; F116-F153 HydrophobicContact CE2-CZ 4.11Å; F116-F153 HydrophobicContact CG-CD1 4.13Å; F116-F153 AromaticContact CG-CE1 3.92Å; F116-F153 HydrophobicContact CG-CE1 3.92Å; L135-F153 HydrophobicContact CD1-CE1 3.98Å; L135-F153 HydrophobicContact CD1-CZ 4.18Å; L135-F153 HydrophobicContact CD2-CE1 4.21Å; F151-F153 HydrophobicContact CB-CD2 4.48Å; F151-F153 HydrophobicContact CB-CE2 3.69Å; F151-F153 HydrophobicContact CB-CZ 4.33Å; F153-M156 HydrophobicContact CB-CG 4.29Å; F153-M156 HydrophobicContact CB-SD 3.49Å; F153-M156 WeakPolarHBondContact CB-SD 3.5Å; F153-M156 HydrophobicContact CG-SD 4.39Å; F153-I164 HydrophobicContact CD1-CD1 4.05Å; F153-I164 HydrophobicContact CE1-CD1 4.19Å; F153-I164 HydrophobicContact CG-CD1 4.3Å; F153-L167 HydrophobicContact CE1-CD1 4.16Å; F153-L167 HydrophobicContact CE2-CD1 3.75Å; F153-L167 HydrophobicContact CZ-CD1 3.49Å; F153-L167 VanDerWaalsContact CZ-CD1 3.49Å; F153-Y187 HydrophobicContact CE2-CD1 4.2Å; F153-V188 PolarHBondContact N-O 3.17Å; F153-F189 HydrophobicContact CB-CD1 4.01Å; F153-F189 AromaticContact CD2-CD1 3.71Å; F153-F189 HydrophobicContact CD2-CD1 3.71Å; F153-F189 AromaticContact CD2-CE1 3.54Å; F153-F189 HydrophobicContact CD2-CE1 3.54Å; F153-F189 HydrophobicContact CE2-CE1 4.02Å; F153-F189 HydrophobicContact CG-CD1 4.15Å; F153-F189 HydrophobicContact CG-CE1 4.21Å; F153-I190 PolarHBondContact O-N 3.28Å
154D96Very high92.3Very high22 Ų2224.2 Ų24.212%0.11815%0.152CC..  trans-85.4162.1178.6-149.8-14.8000111.6T93 F116 V117 P118 M156 I190T93-D154 PolarHBondContact OG1-OD2 3.18Å; F116-D154 PolarHBondContact O-N 3.01Å; V117-D154 HydrophobicContact CG2-CB 4.34Å; P118-D154 WeakPolarHBondContact CD-O 3.37Å; P118-D154 WeakPolarHBondContact CG-O 3.39Å; D154-M156 VanDerWaalsContact C-N 3.3Å; D154-M156 PolarHBondContact O-N 3.48Å; D154-I190 WeakPolarHBondContact OD1-CG2 3.48Å
155E93.4Very high92.4Very high48 Ų4823.2 Ų23.222%0.22415%0.145CC..  trans46.347.7176.9-53.2-166.6140.500114T119 E157 K158 I190T119-E155 PolarHBondContact OG1-OE2 3.08Å; E155-E157 PolarHBondContact O-N 3.29Å; E155-K158 HydrophobicContact CB-CD 4.31Å; E155-K158 HydrophobicContact CB-CG 4.42Å; E155-K158 WeakPolarHBondContact O-CB 3.27Å; E155-K158 PolarHBondContact O-N 3.39Å; E155-K158 IonicContact OE1-NZ 2.96Å; E155-K158 PolarHBondContact OE1-NZ 3.22Å; E155-K158 WeakPolarHBondContact OE2-CD 3.4Å; E155-K158 WeakPolarHBondContact OE2-CE 3.13Å; E155-K158 IonicContact OE2-NZ 2.74Å; E155-K158 PolarHBondContact OE2-NZ 3.25Å; E155-I190 PolarHBondContact N-O 3.25Å
156M92.9Very high92.7Very high0 Ų020.7 Ų20.70%012%0.123CC..G310 helixtrans-58.4-21-175.4-76-66.7-67.100114.3F153 D154 K158 M159 I164 F189 I190 G235 L236F153-M156 HydrophobicContact CB-CG 4.29Å; F153-M156 HydrophobicContact CB-SD 3.49Å; F153-M156 WeakPolarHBondContact CB-SD 3.5Å; F153-M156 HydrophobicContact CG-SD 4.39Å; D154-M156 VanDerWaalsContact C-N 3.3Å; D154-M156 PolarHBondContact O-N 3.48Å; M156-K158 PolarHBondContact O-N 2.98Å; M156-M159 HydrophobicContact CE-CB 4.5Å; M156-M159 HydrophobicContact CE-CG 4.38Å; M156-M159 VanDerWaalsContact O-CB 3.26Å; M156-M159 WeakPolarHBondContact O-CB 3.33Å; M156-M159 PolarHBondContact O-N 3.15Å; M156-M159 HydrophobicContact SD-CB 4.31Å; M156-M159 HydrophobicContact SD-CG 4.38Å; M156-I164 HydrophobicContact CE-CB 4.32Å; M156-I164 HydrophobicContact CE-CD1 3.87Å; M156-I164 HydrophobicContact CE-CG1 3.85Å; M156-I164 HydrophobicContact SD-CD1 4.37Å; M156-F189 HydrophobicContact CG-CB 4.17Å; M156-I190 WeakPolarHBondContact CB-O 3.43Å; M156-I190 WeakPolarHBondContact CG-O 3.4Å; M156-I190 PolarHBondContact N-O 3.2Å; M156-G235 WeakPolarHBondContact O-CA 3.38Å; M156-G235 PolarHBondContact O-N 3.32Å; M156-L236 HydrophobicContact CE-CD2 3.89Å; M156-L236 HydrophobicContact CE-CG 3.88Å
157E89.9Confident92.9Very high41 Ų4120.6 Ų20.619%0.19212%0.122CC..G310 helixtrans-68.3-8.2169.662.4-90.5-155.600114.9E155 S191 T192 T233E155-E157 PolarHBondContact O-N 3.29Å; E157-S191 WeakPolarHBondContact OE2-CA 3.45Å; E157-S191 WeakPolarHBondContact OE2-CB 3.44Å; E157-S191 PolarHBondContact OE2-OG 3.08Å; E157-T192 WeakPolarHBondContact OE1-CB 3.46Å; E157-T192 VanDerWaalsContact OE1-CG2 3.29Å; E157-T192 WeakPolarHBondContact OE1-CG2 3.49Å; E157-T192 PolarHBondContact OE1-N 2.9Å; E157-T192 PolarHBondContact OE1-OG1 2.83Å; E157-T192 PolarHBondContact OE2-N 3.11Å; E157-T233 CarbonylContact C-O 3.19Å; E157-T233 WeakPolarHBondContact CA-O 3.33Å
158K92Very high93Very high102 Ų10222.8 Ų22.844%0.44313%0.129SC..G310 helixtrans-109.72.8173.4-55.4-175.1-166.1161.70112.1P118 T119 E155 M156P118-K158 HydrophobicContact CB-CB 4.34Å; P118-K158 WeakPolarHBondContact CB-O 3.17Å; T119-K158 HydrophobicContact CG2-CB 4.15Å; T119-K158 HydrophobicContact CG2-CD 3.31Å; T119-K158 HydrophobicContact CG2-CG 4.37Å; E155-K158 HydrophobicContact CB-CD 4.31Å; E155-K158 HydrophobicContact CB-CG 4.42Å; E155-K158 WeakPolarHBondContact O-CB 3.27Å; E155-K158 PolarHBondContact O-N 3.39Å; E155-K158 IonicContact OE1-NZ 2.96Å; E155-K158 PolarHBondContact OE1-NZ 3.22Å; E155-K158 WeakPolarHBondContact OE2-CD 3.4Å; E155-K158 WeakPolarHBondContact OE2-CE 3.13Å; E155-K158 IonicContact OE2-NZ 2.74Å; E155-K158 PolarHBondContact OE2-NZ 3.25Å; M156-K158 PolarHBondContact O-N 2.98Å
159M92.3Very high92.8Very high9 Ų924.7 Ų24.74%0.04414%0.144CC..SBendtrans-72.7128.1178.7-173.769.2164.400109.8P118 F122 L135 M156 A161 L163 I164P118-M159 HydrophobicContact CB-CB 4.4Å; P118-M159 HydrophobicContact CB-SD 4.18Å; P118-M159 HydrophobicContact CG-CB 4Å; P118-M159 HydrophobicContact CG-SD 3.84Å; F122-M159 HydrophobicContact CD2-CE 4.06Å; F122-M159 HydrophobicContact CD2-SD 3.63Å; F122-M159 HydrophobicContact CE2-CE 3.87Å; F122-M159 HydrophobicContact CE2-SD 3.94Å; L135-M159 HydrophobicContact CD2-CE 4.32Å; M156-M159 HydrophobicContact CE-CB 4.5Å; M156-M159 HydrophobicContact CE-CG 4.38Å; M156-M159 VanDerWaalsContact O-CB 3.26Å; M156-M159 WeakPolarHBondContact O-CB 3.33Å; M156-M159 PolarHBondContact O-N 3.15Å; M156-M159 HydrophobicContact SD-CB 4.31Å; M156-M159 HydrophobicContact SD-CG 4.38Å; M159-A161 PolarHBondContact O-N 3.15Å; M159-L163 HydrophobicContact CE-CB 3.95Å; M159-L163 HydrophobicContact CE-CD2 3.43Å; M159-L163 VanDerWaalsContact CE-CD2 3.43Å; M159-L163 HydrophobicContact CE-CG 3.48Å; M159-L163 VanDerWaalsContact CE-CG 3.48Å; M159-L163 HydrophobicContact SD-CD2 3.79Å; M159-L163 HydrophobicContact SD-CG 4.38Å; M159-I164 HydrophobicContact CE-CB 4.27Å; M159-I164 HydrophobicContact CE-CD1 3.85Å
160P90.7Very high92.7Very high19 Ų1925.4 Ų25.412%0.12315%0.147CC..PPolyproline II helixtrans-56.5137.2177-26.233.8000112.6F122 V128 G162 L163F122-P160 HydrophobicContact CB-CG 4.09Å; V128-P160 HydrophobicContact CG2-CB 3.46Å; V128-P160 VanDerWaalsContact CG2-CB 3.46Å; V128-P160 HydrophobicContact CG2-CG 4.19Å; P160-G162 PolarHBondContact O-N 3.12Å; P160-L163 HydrophobicContact CB-CB 4.31Å; P160-L163 HydrophobicContact CG-CD2 4.22Å; P160-L163 VanDerWaalsContact O-CB 3.27Å; P160-L163 WeakPolarHBondContact O-CB 3.49Å; P160-L163 PolarHBondContact O-N 2.9Å; P160-L163 VanDerWaalsContact O-N 3.13Å
161A87.2Confident92.4Very high90 Ų9025.4 Ų25.474%0.74415%0.147SC*.THydrogen-bonded Turntrans-57135.4-177.900000111.7M159 L163M159-A161 PolarHBondContact O-N 3.15Å; A161-L163 PolarHBondContact O-N 3.43Å
162G86.1Confident91.6Very high20 Ų2025.7 Ų25.721%0.20615%0.15CC..THydrogen-bonded Turntrans75.4-10.2-179.500000115.4R132 P160 I164 D165R132-G162 VanDerWaalsContact CZ-O 3.26Å; R132-G162 PolarHBondContact NH1-O 3.3Å; P160-G162 PolarHBondContact O-N 3.12Å; G162-I164 PolarHBondContact O-N 3.07Å; G162-D165 WeakPolarHBondContact CA-OD2 3.49Å; G162-D165 PolarHBondContact O-N 2.93Å
163L92.1Very high90.3Very high0 Ų030 Ų300%018%0.177CC..THydrogen-bonded Turntrans-63.3-42.9179.1179.758.6000111.5F122 V128 R132 M159 P160 A161 D165 V166F122-L163 HydrophobicContact CB-CD2 3.8Å; F122-L163 HydrophobicContact CD1-CD2 3.78Å; F122-L163 HydrophobicContact CD2-CD2 3.55Å; F122-L163 HydrophobicContact CE1-CD2 4.25Å; F122-L163 HydrophobicContact CE2-CD2 4.05Å; F122-L163 HydrophobicContact CG-CD2 3.41Å; F122-L163 VanDerWaalsContact CG-CD2 3.41Å; F122-L163 HydrophobicContact CZ-CD2 4.38Å; V128-L163 HydrophobicContact CG1-CB 4.38Å; R132-L163 HydrophobicContact CB-CD1 4.21Å; R132-L163 HydrophobicContact CG-CD1 3.52Å; M159-L163 HydrophobicContact CE-CB 3.95Å; M159-L163 HydrophobicContact CE-CD2 3.43Å; M159-L163 VanDerWaalsContact CE-CD2 3.43Å; M159-L163 HydrophobicContact CE-CG 3.48Å; M159-L163 VanDerWaalsContact CE-CG 3.48Å; M159-L163 HydrophobicContact SD-CD2 3.79Å; M159-L163 HydrophobicContact SD-CG 4.38Å; P160-L163 HydrophobicContact CB-CB 4.31Å; P160-L163 HydrophobicContact CG-CD2 4.22Å; P160-L163 VanDerWaalsContact O-CB 3.27Å; P160-L163 WeakPolarHBondContact O-CB 3.49Å; P160-L163 PolarHBondContact O-N 2.9Å; P160-L163 VanDerWaalsContact O-N 3.13Å; A161-L163 PolarHBondContact O-N 3.43Å; L163-D165 VanDerWaalsContact C-N 3.27Å; L163-D165 PolarHBondContact O-N 3.39Å; L163-V166 VanDerWaalsContact O-CG1 3.31Å; L163-V166 WeakPolarHBondContact O-CG1 3.5Å; L163-V166 PolarHBondContact O-N 3.45Å
164I92.8Very high88.7Confident0 Ų033.4 Ų33.40%020%0.202CC..G310 helixtrans-68.9-23.5-176.1-158.772.9000113.1F153 M156 M159 G162 V166 L167 F189 G235 L236 I241F153-I164 HydrophobicContact CD1-CD1 4.05Å; F153-I164 HydrophobicContact CE1-CD1 4.19Å; F153-I164 HydrophobicContact CG-CD1 4.3Å; M156-I164 HydrophobicContact CE-CB 4.32Å; M156-I164 HydrophobicContact CE-CD1 3.87Å; M156-I164 HydrophobicContact CE-CG1 3.85Å; M156-I164 HydrophobicContact SD-CD1 4.37Å; M159-I164 HydrophobicContact CE-CB 4.27Å; M159-I164 HydrophobicContact CE-CD1 3.85Å; G162-I164 PolarHBondContact O-N 3.07Å; I164-V166 PolarHBondContact O-N 2.86Å; I164-L167 HydrophobicContact CD1-CD1 3.48Å; I164-L167 VanDerWaalsContact CD1-CD1 3.48Å; I164-L167 HydrophobicContact CD1-CG 4.3Å; I164-L167 HydrophobicContact CG1-CD1 4.11Å; I164-L167 WeakPolarHBondContact O-CB 3.29Å; I164-L167 WeakPolarHBondContact O-CG 3.46Å; I164-L167 PolarHBondContact O-N 3.17Å; I164-F189 HydrophobicContact CD1-CE1 4.14Å; I164-G235 VanDerWaalsContact CG2-O 3.25Å; I164-G235 WeakPolarHBondContact CG2-O 3.35Å; I164-L236 HydrophobicContact CG2-CD2 4.32Å; I164-I241 HydrophobicContact CB-CD1 4.38Å; I164-I241 HydrophobicContact CG1-CD1 3.65Å; I164-I241 HydrophobicContact CG2-CD1 4.1Å
165D91.4Very high87.1Confident36 Ų3635.7 Ų35.719%0.19321%0.212CC..G310 helixtrans-60.2-22.1179.6-69-36.6000112.9G162 L163 L167 E168 S239 S240G162-D165 WeakPolarHBondContact CA-OD2 3.49Å; G162-D165 PolarHBondContact O-N 2.93Å; L163-D165 VanDerWaalsContact C-N 3.27Å; L163-D165 PolarHBondContact O-N 3.39Å; D165-L167 PolarHBondContact O-N 3.13Å; D165-L167 VanDerWaalsContact O-N 3.07Å; D165-E168 VanDerWaalsContact O-CB 3.28Å; D165-E168 WeakPolarHBondContact O-CB 3.3Å; D165-E168 PolarHBondContact O-N 3.26Å; D165-S239 WeakPolarHBondContact OD1-CA 3.48Å; D165-S239 WeakPolarHBondContact OD1-CB 3.23Å; D165-S240 WeakPolarHBondContact CB-OG 3.47Å; D165-S240 PolarHBondContact OD1-N 3.06Å; D165-S240 PolarHBondContact OD1-OG 3.12Å
166V93.1Very high85.4Confident11 Ų1137.4 Ų37.47%0.06723%0.225CC..G310 helixtrans-62.4-17175.184.50000112.9R132 L135 K136 L163 I164 P169R132-V166 HydrophobicContact CB-CB 4.37Å; R132-V166 HydrophobicContact CB-CG2 4.26Å; R132-V166 HydrophobicContact CG-CB 4.48Å; R132-V166 WeakPolarHBondContact O-CG2 3.27Å; L135-V166 HydrophobicContact CB-CG1 4.23Å; L135-V166 HydrophobicContact CD2-CG1 3.82Å; L135-V166 HydrophobicContact CG-CG1 4.04Å; K136-V166 HydrophobicContact CB-CG2 3.65Å; K136-V166 HydrophobicContact CD-CG2 3.87Å; K136-V166 HydrophobicContact CG-CG2 4.01Å; L163-V166 VanDerWaalsContact O-CG1 3.31Å; L163-V166 WeakPolarHBondContact O-CG1 3.5Å; L163-V166 PolarHBondContact O-N 3.45Å; I164-V166 PolarHBondContact O-N 2.86Å; V166-P169 WeakPolarHBondContact O-CD 3.38Å
167L93.3Very high83.8Confident0 Ų039.7 Ų39.70%024%0.239CC..G310 helixtrans-83.4-15.7176.7-57.2-175.3000114.1L135 V139 F153 I164 D165 P169 F170 L171 F189 I241L135-L167 HydrophobicContact CD1-CD2 4.5Å; L135-L167 HydrophobicContact CD2-CD2 4.16Å; L135-L167 HydrophobicContact CD2-CG 4.4Å; L135-L167 HydrophobicContact CG-CD2 4.06Å; V139-L167 HydrophobicContact CB-CD2 4.42Å; V139-L167 HydrophobicContact CG1-CD2 4.47Å; V139-L167 HydrophobicContact CG2-CD2 3.82Å; F153-L167 HydrophobicContact CE1-CD1 4.16Å; F153-L167 HydrophobicContact CE2-CD1 3.75Å; F153-L167 HydrophobicContact CZ-CD1 3.49Å; F153-L167 VanDerWaalsContact CZ-CD1 3.49Å; I164-L167 HydrophobicContact CD1-CD1 3.48Å; I164-L167 VanDerWaalsContact CD1-CD1 3.48Å; I164-L167 HydrophobicContact CD1-CG 4.3Å; I164-L167 HydrophobicContact CG1-CD1 4.11Å; I164-L167 WeakPolarHBondContact O-CB 3.29Å; I164-L167 WeakPolarHBondContact O-CG 3.46Å; I164-L167 PolarHBondContact O-N 3.17Å; D165-L167 PolarHBondContact O-N 3.13Å; D165-L167 VanDerWaalsContact O-N 3.07Å; L167-P169 VanDerWaalsContact C-N 3.29Å; L167-P169 VanDerWaalsContact O-N 3.14Å; L167-F170 HydrophobicContact CD2-CD2 4.27Å; L167-F170 WeakPolarHBondContact O-CA 3.46Å; L167-F170 WeakPolarHBondContact O-CB 3.44Å; L167-F170 PolarHBondContact O-N 3.16Å; L167-L171 HydrophobicContact CB-CD1 4.3Å; L167-L171 HydrophobicContact CB-CG 4.42Å; L167-L171 WeakPolarHBondContact O-CG 3.41Å; L167-L171 PolarHBondContact O-N 2.93Å; L167-F189 HydrophobicContact CD1-CE1 4.43Å; L167-I241 HydrophobicContact CB-CD1 4.46Å
168E90.9Very high82.1Confident63 Ų6344.7 Ų44.729%0.29426%0.26SS..Hα-helixtrans-44.8-46.9-178.7-176-156.9137.500113D165 F170 L171 G172 S240 Q244 L246D165-E168 VanDerWaalsContact O-CB 3.28Å; D165-E168 WeakPolarHBondContact O-CB 3.3Å; D165-E168 PolarHBondContact O-N 3.26Å; E168-F170 PolarHBondContact O-N 3.3Å; E168-L171 PolarHBondContact O-N 2.86Å; E168-L171 VanDerWaalsContact O-N 3.12Å; E168-G172 PolarHBondContact O-N 3.19Å; E168-S240 WeakPolarHBondContact OE2-CB 3.4Å; E168-S240 PolarHBondContact OE2-OG 3.3Å; E168-Q244 PolarHBondContact OE1-NE2 2.84Å; E168-Q244 PolarHBondContact OE1-OE1 3.3Å; E168-L246 HydrophobicContact CB-CD1 4.47Å; E168-L246 HydrophobicContact CG-CD1 3.88Å
169P89.4Confident80.8Confident56 Ų5650.3 Ų50.336%0.36428%0.279SS..Hα-helixtrans-71.4-1.2179.5-14.932.2000114.7V166 L167 H175V166-P169 WeakPolarHBondContact O-CD 3.38Å; L167-P169 VanDerWaalsContact C-N 3.29Å; L167-P169 VanDerWaalsContact O-N 3.14Å; P169-H175 PolarHBondContact O-CD2 3.35Å; P169-H175 PolarHBondContact O-NE2 3.1Å
170F91.4Very high79.8Confident16 Ų1651.2 Ų51.27%0.0729%0.285CS..Hα-helixtrans-107.9-14.1174-53.1-67.5000112.2P79 K136 V139 K140 L143 L167 E168 Y182 Y187P79-F170 WeakPolarHBondContact CG-O 3.49Å; K136-F170 HydrophobicContact CG-CE2 4.11Å; K136-F170 HydrophobicContact CG-CZ 4.1Å; V139-F170 HydrophobicContact CB-CD2 4.46Å; V139-F170 HydrophobicContact CB-CE2 4.35Å; V139-F170 HydrophobicContact CG1-CB 4.43Å; V139-F170 HydrophobicContact CG1-CD1 4.37Å; V139-F170 HydrophobicContact CG1-CD2 3.76Å; V139-F170 HydrophobicContact CG1-CE2 4.07Å; V139-F170 HydrophobicContact CG1-CG 3.94Å; V139-F170 HydrophobicContact CG1-CZ 4.49Å; K140-F170 HydrophobicContact CB-CE1 4.13Å; K140-F170 HydrophobicContact CB-CZ 4.03Å; L143-F170 HydrophobicContact CD1-CB 4.35Å; L143-F170 HydrophobicContact CD1-CD1 3.88Å; L143-F170 HydrophobicContact CD1-CG 4.27Å; L167-F170 HydrophobicContact CD2-CD2 4.27Å; L167-F170 WeakPolarHBondContact O-CA 3.46Å; L167-F170 WeakPolarHBondContact O-CB 3.44Å; L167-F170 PolarHBondContact O-N 3.16Å; E168-F170 PolarHBondContact O-N 3.3Å; F170-Y182 HydrophobicContact CD1-CD2 4.07Å; F170-Y182 HydrophobicContact CD1-CE2 4.33Å; F170-Y182 HydrophobicContact CE1-CD2 4.5Å; F170-Y182 HydrophobicContact CE1-CE2 4.3Å; F170-Y187 WeakPolarHBondContact CB-OH 3.29Å
171L91.9Very high79.4Confident0 Ų051.4 Ų51.40%029%0.285CS..Hα-helixtrans-98.1-15.5-178.5-53.9-179.8000113.3P79 V81 L167 E168 Y187 F189 I241 L246P79-L171 HydrophobicContact CG-CD2 4.33Å; V81-L171 HydrophobicContact CG2-CD2 3.8Å; L167-L171 HydrophobicContact CB-CD1 4.3Å; L167-L171 HydrophobicContact CB-CG 4.42Å; L167-L171 WeakPolarHBondContact O-CG 3.41Å; L167-L171 PolarHBondContact O-N 2.93Å; E168-L171 PolarHBondContact O-N 2.86Å; E168-L171 VanDerWaalsContact O-N 3.12Å; L171-Y187 HydrophobicContact CD2-CD1 3.8Å; L171-Y187 HydrophobicContact CD2-CD2 3.35Å; L171-Y187 HydrophobicContact CD2-CE1 3.92Å; L171-Y187 HydrophobicContact CD2-CE2 3.48Å; L171-Y187 VanDerWaalsContact CD2-CE2 3.48Å; L171-Y187 HydrophobicContact CD2-CG 3.52Å; L171-F189 HydrophobicContact CD1-CZ 4.17Å; L171-I241 HydrophobicContact CD1-CD1 3.65Å; L171-I241 HydrophobicContact CD1-CG1 3.89Å; L171-I241 HydrophobicContact CD1-CG2 3.98Å; L171-L246 HydrophobicContact CB-CB 3.98Å; L171-L246 HydrophobicContact CB-CD1 3.89Å; L171-L246 HydrophobicContact CB-CG 4.41Å; L171-L246 HydrophobicContact CD1-CB 4.5Å
172G81.3Confident79.4Confident6 Ų647.3 Ų47.36%0.06225%0.25CS..SBendtrans-78.2178.517800000115.1E168E168-G172 PolarHBondContact O-N 3.19Å
173P70.8Confident79.7Confident89 Ų8948.9 Ų48.958%0.57825%0.25SC*.SBendtrans-80.5-17.2-175.331-35.4000114.7D77 R183D77-P173 WeakPolarHBondContact O-CA 3.46Å; D77-P173 WeakPolarHBondContact O-CB 3.17Å; P173-R183 WeakPolarHBondContact O-CD 3.5Å
174S63Low79.7Confident74 Ų7450.7 Ų50.752%0.51726%0.258SS..  trans-80.6-174179-69.80000110.2
175H63.8Low79.8Confident70 Ų7050.7 Ų50.732%0.32426%0.258SS..  trans85.855.8165.5-24.9-66000116.1P169 V177 Y182P169-H175 PolarHBondContact O-CD2 3.35Å; P169-H175 PolarHBondContact O-NE2 3.1Å; H175-V177 HydrophobicContact CB-CG2 4.11Å; H175-V177 PolarHBondContact O-N 2.88Å; H175-Y182 HydrophobicContact CB-CD2 4.44Å
176V58Low80.1Confident83 Ų8349 Ų4950%0.50325%0.249SC..EExtended strand (participates in β ladder)trans-74.9110.8141.3-179.60000106.5
177V57.6Low80.3Confident49 Ų4948.5 Ų48.530%0.29725%0.246SC..EExtended strand (participates in β ladder)trans-118.9130.7174.9-164.20000107.3H175 R179 T180 Y182H175-V177 HydrophobicContact CB-CG2 4.11Å; H175-V177 PolarHBondContact O-N 2.88Å; V177-R179 VanDerWaalsContact C-N 3.31Å; V177-R179 PolarHBondContact O-N 3.16Å; V177-T180 PolarHBondContact O-N 2.57Å; V177-Y182 HydrophobicContact CB-CE2 3.82Å; V177-Y182 HydrophobicContact CG2-CD2 4.28Å; V177-Y182 HydrophobicContact CG2-CE2 3.77Å
178F55.8Low80.5Confident146 Ų14648.5 Ų48.564%0.6425%0.246SC*.THydrogen-bonded Turntrans53.341.9-177.5-55.2-73.3000114.3T180F178-T180 PolarHBondContact O-N 3.4Å; F178-T180 PolarHBondContact O-OG1 2.69Å
179R63.9Low80.9Confident219 Ų21945.5 Ų45.583%0.82623%0.232SC*.THydrogen-bonded Turntrans63.34.9-179.9-53.6-179.5177.1-166.4-2.3115.6V177V177-R179 VanDerWaalsContact C-N 3.31Å; V177-R179 PolarHBondContact O-N 3.16Å
180T71.1Confident81.2Confident28 Ų2843 Ų4317%0.17222%0.215CC..EExtended strand (participates in β ladder)trans-96.8130.3177.3-49.40000109.7L143 A147 V177 F178 Y182L143-T180 WeakPolarHBondContact O-CG2 3.44Å; A147-T180 HydrophobicContact CB-CG2 3.64Å; V177-T180 PolarHBondContact O-N 2.57Å; F178-T180 PolarHBondContact O-N 3.4Å; F178-T180 PolarHBondContact O-OG1 2.69Å; T180-Y182 HydrophobicContact CG2-CD1 4.2Å; T180-Y182 HydrophobicContact CG2-CE1 4.15Å; T180-Y182 PolarHBondContact O-N 2.91Å
181N82.4Confident81.4Confident23 Ų2342.3 Ų42.312%0.12321%0.212CC..EExtended strand (participates in β ladder)trans-86.591.9-178.4-175.10.6000110.6A147 R183 K184A147-N181 WeakPolarHBondContact CB-O 3.27Å; N181-R183 PolarHBondContact O-N 3.16Å; N181-R183 VanDerWaalsContact O-N 3.08Å; N181-R183 WeakPolarHBondContact OD1-CB 3.43Å; N181-R183 VanDerWaalsContact OD1-CG 3.31Å; N181-R183 WeakPolarHBondContact OD1-CG 3.21Å; N181-R183 PolarHBondContact OD1-N 2.81Å; N181-R183 VanDerWaalsContact OD1-N 3.11Å; N181-R183 PolarHBondContact OD1-NE 3.39Å; N181-K184 HydrophobicContact CB-CG 4.46Å; N181-K184 PolarHBondContact O-N 2.88Å; N181-K184 VanDerWaalsContact O-N 3.13Å
182Y88.3Confident81.5Confident4 Ų444 Ų442%0.01622%0.223CC..G310 helixtrans-61.9-17.3-179.6-64-6.2000113.4L143 T144 F170 H175 V177 T180 K184 A185L143-Y182 HydrophobicContact CB-CD1 3.61Å; L143-Y182 HydrophobicContact CB-CD2 4.46Å; L143-Y182 HydrophobicContact CB-CE1 3.56Å; L143-Y182 HydrophobicContact CB-CE2 4.41Å; L143-Y182 HydrophobicContact CB-CG 4.08Å; L143-Y182 HydrophobicContact CD1-CD1 4.26Å; L143-Y182 HydrophobicContact CD1-CD2 3.92Å; L143-Y182 HydrophobicContact CD1-CE2 4.37Å; L143-Y182 HydrophobicContact CD1-CG 3.86Å; L143-Y182 HydrophobicContact CG-CD1 4.4Å; L143-Y182 HydrophobicContact CG-CG 4.46Å; T144-Y182 PolarHBondContact OG1-OH 2.68Å; F170-Y182 HydrophobicContact CD1-CD2 4.07Å; F170-Y182 HydrophobicContact CD1-CE2 4.33Å; F170-Y182 HydrophobicContact CE1-CD2 4.5Å; F170-Y182 HydrophobicContact CE1-CE2 4.3Å; H175-Y182 HydrophobicContact CB-CD2 4.44Å; V177-Y182 HydrophobicContact CB-CE2 3.82Å; V177-Y182 HydrophobicContact CG2-CD2 4.28Å; V177-Y182 HydrophobicContact CG2-CE2 3.77Å; T180-Y182 HydrophobicContact CG2-CD1 4.2Å; T180-Y182 HydrophobicContact CG2-CE1 4.15Å; T180-Y182 PolarHBondContact O-N 2.91Å; Y182-K184 PolarHBondContact O-N 3.48Å; Y182-K184 VanDerWaalsContact O-N 3.12Å; Y182-A185 WeakPolarHBondContact O-CB 3.22Å; Y182-A185 PolarHBondContact O-N 2.79Å
183R90.8Very high81.9Confident54 Ų5443.8 Ų43.820%0.20422%0.221CC..G310 helixtrans-67.5-9.2176.1-50.2-173.7-66.7-94.30.8113.7F70 P76 D77 R78 P79 P173 N181 A185F70-R183 WeakPolarHBondContact CE2-O 3.49Å; F70-R183 WeakPolarHBondContact CZ-O 3.48Å; P76-R183 HydrophobicContact CG-CB 4.22Å; P76-R183 WeakPolarHBondContact CG-O 3.48Å; P76-R183 WeakPolarHBondContact O-CB 3.22Å; P76-R183 VanDerWaalsContact O-CD 3.27Å; P76-R183 WeakPolarHBondContact O-CD 3.4Å; P76-R183 PolarHBondContact O-NE 3.14Å; D77-R183 VanDerWaalsContact C-CD 3.44Å; D77-R183 VanDerWaalsContact O-CD 3.23Å; D77-R183 WeakPolarHBondContact O-CD 3.26Å; R78-R183 CarbonylContact C-O 3.59Å; P79-R183 VanDerWaalsContact CA-O 3.25Å; P79-R183 WeakPolarHBondContact CA-O 3.21Å; P173-R183 WeakPolarHBondContact O-CD 3.5Å; N181-R183 PolarHBondContact O-N 3.16Å; N181-R183 VanDerWaalsContact O-N 3.08Å; N181-R183 WeakPolarHBondContact OD1-CB 3.43Å; N181-R183 VanDerWaalsContact OD1-CG 3.31Å; N181-R183 WeakPolarHBondContact OD1-CG 3.21Å; N181-R183 PolarHBondContact OD1-N 2.81Å; N181-R183 VanDerWaalsContact OD1-N 3.11Å; N181-R183 PolarHBondContact OD1-NE 3.39Å; R183-A185 VanDerWaalsContact C-N 3.32Å
184K92.4Very high82.8Confident37 Ų3740 Ų4016%0.16120%0.198CC..G310 helixtrans-84.2-5.7175.5-70.3-173.3179-177.40113.4F70 K74 P76 A147 R148 N181 Y182F70-K184 WeakPolarHBondContact CE1-O 3.24Å; F70-K184 WeakPolarHBondContact CZ-O 3.34Å; K74-K184 WeakPolarHBondContact O-CE 3.31Å; P76-K184 HydrophobicContact CG-CG 4.16Å; A147-K184 HydrophobicContact CB-CB 4.17Å; A147-K184 HydrophobicContact CB-CD 4.43Å; A147-K184 CarbonylContact O-C 3.58Å; A147-K184 WeakPolarHBondContact O-CB 3.04Å; R148-K184 WeakPolarHBondContact CD-O 3.48Å; R148-K184 HydrophobicContact CG-CB 4.29Å; R148-K184 PolarHBondContact NH1-O 3.09Å; N181-K184 HydrophobicContact CB-CG 4.46Å; N181-K184 PolarHBondContact O-N 2.88Å; N181-K184 VanDerWaalsContact O-N 3.13Å; Y182-K184 PolarHBondContact O-N 3.48Å; Y182-K184 VanDerWaalsContact O-N 3.12Å
185A94.8Very high84.3Confident0 Ų040.4 Ų40.40%019%0.19CC..  trans-75.1161.5-178.600000112.8F70 P79 L80 L143 A147 S149 Y182 R183 Y187F70-A185 WeakPolarHBondContact CZ-O 3.46Å; P79-A185 WeakPolarHBondContact CA-O 3.18Å; P79-A185 HydrophobicContact CB-CB 4.4Å; P79-A185 WeakPolarHBondContact CB-O 3.47Å; L80-A185 PolarHBondContact N-O 3.34Å; L80-A185 VanDerWaalsContact N-O 3.15Å; L143-A185 HydrophobicContact CD2-CB 3.51Å; A147-A185 WeakPolarHBondContact O-CA 3.36Å; A147-A185 PolarHBondContact O-N 3.19Å; S149-A185 WeakPolarHBondContact O-CA 3.42Å; Y182-A185 WeakPolarHBondContact O-CB 3.22Å; Y182-A185 PolarHBondContact O-N 2.79Å; R183-A185 VanDerWaalsContact C-N 3.32Å; A185-Y187 HydrophobicContact CB-CE2 3.82Å
186I97.5Very high85.7Confident1 Ų142.3 Ų42.31%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-124133175.9-54.9176.3000109.1F70 L80 L99 L103 S149 V150 F151 V188F70-I186 HydrophobicContact CD1-CD1 4.24Å; F70-I186 HydrophobicContact CD1-CG1 4.11Å; F70-I186 HydrophobicContact CE1-CD1 4.14Å; F70-I186 HydrophobicContact CE1-CG1 3.63Å; F70-I186 HydrophobicContact CZ-CG1 4.5Å; L80-I186 HydrophobicContact CB-CG1 4.22Å; L80-I186 HydrophobicContact CB-CG2 4.34Å; L80-I186 HydrophobicContact CD2-CD1 4.42Å; L80-I186 HydrophobicContact CD2-CG1 4.4Å; L80-I186 HydrophobicContact CD2-CG2 4.12Å; L80-I186 HydrophobicContact CG-CG2 4.26Å; L80-I186 CarbonylContact O-C 3.28Å; L80-I186 WeakPolarHBondContact O-CA 3.04Å; L99-I186 HydrophobicContact CD2-CG2 4.26Å; L103-I186 HydrophobicContact CD1-CD1 3.64Å; S149-I186 PolarHBondContact O-N 3.41Å; S149-I186 VanDerWaalsContact O-N 3.12Å; V150-I186 CarbonylContact C-O 3.57Å; V150-I186 WeakPolarHBondContact CA-O 3.43Å; V150-I186 HydrophobicContact CG1-CB 4.48Å; V150-I186 HydrophobicContact CG2-CB 4.17Å; V150-I186 HydrophobicContact CG2-CD1 4.44Å; F151-I186 PolarHBondContact N-O 3.2Å; I186-V188 HydrophobicContact CG2-CG2 4.27Å
187Y98.2Very high87.3Confident0 Ų039 Ų390%018%0.181CC..EExtended strand (participates in β ladder)trans-118.3132175.8-63.6-96.3000109P79 L80 V81 L82 F151 F153 F170 L171 A185P79-Y187 HydrophobicContact CB-CD2 4.01Å; P79-Y187 HydrophobicContact CB-CE2 3.89Å; P79-Y187 HydrophobicContact CG-CD2 4.29Å; P79-Y187 HydrophobicContact CG-CE2 4.08Å; L80-Y187 PolarHBondContact O-N 3.18Å; V81-Y187 WeakPolarHBondContact CA-O 3.49Å; V81-Y187 HydrophobicContact CG2-CD2 4.34Å; L82-Y187 PolarHBondContact N-O 2.88Å; F151-Y187 HydrophobicContact CB-CD1 3.81Å; F151-Y187 HydrophobicContact CB-CE1 4Å; F151-Y187 HydrophobicContact CD2-CD1 4.03Å; F151-Y187 AromaticContact CD2-CE1 3.5Å; F151-Y187 HydrophobicContact CD2-CE1 3.5Å; F151-Y187 VanDerWaalsContact CD2-CE1 3.5Å; F151-Y187 HydrophobicContact CD2-CE2 4.47Å; F151-Y187 AromaticContact CD2-CZ 3.75Å; F151-Y187 HydrophobicContact CE2-CE1 4.25Å; F151-Y187 HydrophobicContact CG-CD1 4.27Å; F151-Y187 AromaticContact CG-CE1 3.96Å; F151-Y187 HydrophobicContact CG-CE1 3.96Å; F151-Y187 CarbonylContact O-C 3.53Å; F151-Y187 WeakPolarHBondContact O-CA 2.95Å; F153-Y187 HydrophobicContact CE2-CD1 4.2Å; F170-Y187 WeakPolarHBondContact CB-OH 3.29Å; L171-Y187 HydrophobicContact CD2-CD1 3.8Å; L171-Y187 HydrophobicContact CD2-CD2 3.35Å; L171-Y187 HydrophobicContact CD2-CE1 3.92Å; L171-Y187 HydrophobicContact CD2-CE2 3.48Å; L171-Y187 VanDerWaalsContact CD2-CE2 3.48Å; L171-Y187 HydrophobicContact CD2-CG 3.52Å; A185-Y187 HydrophobicContact CB-CE2 3.82Å
188V98.4Very high89.1Confident0 Ų036.8 Ų36.80%017%0.167CC..EExtended strand (participates in β ladder)trans-124.1114.6176.1-175.80000108.4L82 F84 L99 F151 I152 F153 I186 I190L82-V188 CarbonylContact O-C 3.56Å; L82-V188 WeakPolarHBondContact O-CA 3.18Å; F84-V188 HydrophobicContact CD1-CG1 4.43Å; F84-V188 HydrophobicContact CD2-CG1 3.8Å; F84-V188 HydrophobicContact CE1-CG1 4.23Å; F84-V188 HydrophobicContact CE2-CG1 3.52Å; F84-V188 HydrophobicContact CG-CG1 4.26Å; F84-V188 HydrophobicContact CZ-CG1 3.76Å; L99-V188 HydrophobicContact CD2-CG2 3.85Å; F151-V188 PolarHBondContact O-N 3.3Å; I152-V188 CarbonylContact C-O 3.58Å; I152-V188 WeakPolarHBondContact CA-O 3.33Å; I152-V188 HydrophobicContact CG1-CB 4.27Å; F153-V188 PolarHBondContact N-O 3.17Å; I186-V188 HydrophobicContact CG2-CG2 4.27Å; V188-I190 HydrophobicContact CG1-CG1 4.04Å
189F97.3Very high91Very high1 Ų131.1 Ų31.10%0.00414%0.143CC..EExtended strand (participates in β ladder)trans-99.3126.1173.3-58-33000109V81 L82 S83 F84 F153 M156 I164 L167 L171 L236 I241V81-F189 HydrophobicContact CG1-CD2 4.09Å; V81-F189 HydrophobicContact CG1-CE2 3.62Å; V81-F189 HydrophobicContact CG1-CZ 4.24Å; L82-F189 PolarHBondContact O-N 3.22Å; S83-F189 CarbonylContact C-O 3.44Å; S83-F189 WeakPolarHBondContact CA-O 3.49Å; F84-F189 PolarHBondContact N-O 3Å; F153-F189 HydrophobicContact CB-CD1 4.01Å; F153-F189 AromaticContact CD2-CD1 3.71Å; F153-F189 HydrophobicContact CD2-CD1 3.71Å; F153-F189 AromaticContact CD2-CE1 3.54Å; F153-F189 HydrophobicContact CD2-CE1 3.54Å; F153-F189 HydrophobicContact CE2-CE1 4.02Å; F153-F189 HydrophobicContact CG-CD1 4.15Å; F153-F189 HydrophobicContact CG-CE1 4.21Å; M156-F189 HydrophobicContact CG-CB 4.17Å; I164-F189 HydrophobicContact CD1-CE1 4.14Å; L167-F189 HydrophobicContact CD1-CE1 4.43Å; L171-F189 HydrophobicContact CD1-CZ 4.17Å; F189-L236 HydrophobicContact CD2-CD1 4.44Å; F189-L236 HydrophobicContact CD2-CD2 4.2Å; F189-L236 HydrophobicContact CE2-CD2 4.32Å; F189-I241 HydrophobicContact CE2-CD1 4.38Å; F189-I241 HydrophobicContact CE2-CG2 4.24Å; F189-I241 HydrophobicContact CZ-CD1 4.23Å
190I97.3Very high92.5Very high2 Ų228 Ų281%0.0113%0.131CC..EExtended strand (participates in β ladder)trans-114.9123.4-180-55.5174.6000108.6F84 K92 I152 F153 D154 E155 M156 V188F84-I190 HydrophobicContact CB-CG1 4.38Å; F84-I190 HydrophobicContact CD2-CD1 4.48Å; F84-I190 HydrophobicContact CD2-CG1 3.98Å; K92-I190 HydrophobicContact CB-CG2 3.6Å; K92-I190 HydrophobicContact CD-CG2 3.87Å; K92-I190 HydrophobicContact CG-CG2 4.34Å; I152-I190 HydrophobicContact CG2-CD1 3.89Å; F153-I190 PolarHBondContact O-N 3.28Å; D154-I190 WeakPolarHBondContact OD1-CG2 3.48Å; E155-I190 PolarHBondContact N-O 3.25Å; M156-I190 WeakPolarHBondContact CB-O 3.43Å; M156-I190 WeakPolarHBondContact CG-O 3.4Å; M156-I190 PolarHBondContact N-O 3.2Å; V188-I190 HydrophobicContact CG1-CG1 4.04Å
191S94.3Very high93.6Very high2 Ų227.9 Ų27.91%0.01413%0.129CC..EExtended strand (participates in β ladder)trans-141.1156.6178.5-1660000113.3F84 H85 G86 K92 E157 A193F84-S191 PolarHBondContact O-N 3.39Å; H85-S191 WeakPolarHBondContact CA-O 3.32Å; G86-S191 PolarHBondContact N-O 2.75Å; K92-S191 VanDerWaalsContact CE-O 3.27Å; K92-S191 WeakPolarHBondContact CE-O 3.49Å; E157-S191 WeakPolarHBondContact OE2-CA 3.45Å; E157-S191 WeakPolarHBondContact OE2-CB 3.44Å; E157-S191 PolarHBondContact OE2-OG 3.08Å; S191-A193 WeakPolarHBondContact OG-CB 3.32Å; S191-A193 PolarHBondContact OG-N 3.47Å
192T93.8Very high94.2Very high36 Ų3627 Ų2722%0.22113%0.125CC..  trans-91-1.416461.90000113.6G86 E157 G194 K195G86-T192 WeakPolarHBondContact O-CA 3.39Å; E157-T192 WeakPolarHBondContact OE1-CB 3.46Å; E157-T192 VanDerWaalsContact OE1-CG2 3.29Å; E157-T192 WeakPolarHBondContact OE1-CG2 3.49Å; E157-T192 PolarHBondContact OE1-N 2.9Å; E157-T192 PolarHBondContact OE1-OG1 2.83Å; E157-T192 PolarHBondContact OE2-N 3.11Å; T192-G194 PolarHBondContact O-N 2.72Å; T192-K195 VanDerWaalsContact O-CB 3.26Å; T192-K195 WeakPolarHBondContact O-CB 3.23Å; T192-K195 WeakPolarHBondContact O-CG 3.17Å; T192-K195 PolarHBondContact O-N 3.13Å
193A90.5Very high94.6Very high2 Ų228.5 Ų28.52%0.01713%0.133CC..THydrogen-bonded Turntrans-56.4138.217200000111.1H85 S191 K195 V228H85-A193 WeakPolarHBondContact CB-O 3.46Å; H85-A193 PolarHBondContact ND1-O 2.92Å; S191-A193 WeakPolarHBondContact OG-CB 3.32Å; S191-A193 PolarHBondContact OG-N 3.47Å; A193-K195 VanDerWaalsContact C-N 3.32Å; A193-V228 HydrophobicContact CB-CG2 4.24Å
194G90.4Very high94.7Very high10 Ų1031.3 Ų31.310%0.10315%0.148CC..THydrogen-bonded Turntrans83.4-3.9-176.400000115.6T192 E196 A197 I198T192-G194 PolarHBondContact O-N 2.72Å; G194-E196 VanDerWaalsContact C-N 3.28Å; G194-E196 PolarHBondContact O-N 3.24Å; G194-A197 PolarHBondContact O-N 2.98Å; G194-I198 WeakPolarHBondContact O-CG1 3.25Å; G194-I198 PolarHBondContact O-N 2.69Å
195K93.3Very high94.9Very high81 Ų8130.7 Ų30.735%0.35215%0.147SC..Hα-helixtrans-53.5-41-18064.7174.6176.4147.60113.9T192 A193 H199T192-K195 VanDerWaalsContact O-CB 3.26Å; T192-K195 WeakPolarHBondContact O-CB 3.23Å; T192-K195 WeakPolarHBondContact O-CG 3.17Å; T192-K195 PolarHBondContact O-N 3.13Å; A193-K195 VanDerWaalsContact C-N 3.32Å; K195-H199 WeakPolarHBondContact O-CB 3.31Å; K195-H199 PolarHBondContact O-N 3.16Å
196E92.8Very high94.8Very high110 Ų11037 Ų3751%0.51417%0.17SC..Hα-helixtrans-70.3-37-176.3-57.4-52.8144.400111.5G194 H199 R200G194-E196 VanDerWaalsContact C-N 3.28Å; G194-E196 PolarHBondContact O-N 3.24Å; E196-H199 PolarHBondContact O-N 2.62Å; E196-R200 WeakPolarHBondContact O-CB 3.35Å; E196-R200 PolarHBondContact O-N 3.34Å
197A93.2Very high94.6Very high15 Ų1542.5 Ų42.512%0.12420%0.199CC..Hα-helixtrans-74.5-40.3-179.600000111.2G194 L201 V223 S227G194-A197 PolarHBondContact O-N 2.98Å; A197-L201 PolarHBondContact O-N 3.01Å; A197-L201 VanDerWaalsContact O-N 3.13Å; A197-V223 HydrophobicContact CB-CG1 3.33Å; A197-S227 VanDerWaalsContact CB-OG 3.24Å; A197-S227 WeakPolarHBondContact CB-OG 3.39Å
198I95.6Very high94.5Very high2 Ų245.7 Ų45.71%0.0123%0.226CC..Hα-helixtrans-59.3-48.6169.3-64164.6000109.9H85 G194 R200 L201 V202 L220 V224 P252 L254H85-I198 HydrophobicContact CB-CD1 4.33Å; H85-I198 WeakPolarHBondContact O-CD1 3.27Å; G194-I198 WeakPolarHBondContact O-CG1 3.25Å; G194-I198 PolarHBondContact O-N 2.69Å; I198-R200 PolarHBondContact O-N 2.77Å; I198-L201 PolarHBondContact O-N 3.12Å; I198-V202 HydrophobicContact CG2-CG2 4.23Å; I198-V202 WeakPolarHBondContact O-CB 3.47Å; I198-V202 WeakPolarHBondContact O-CG2 3.36Å; I198-V202 PolarHBondContact O-N 3.02Å; I198-L220 HydrophobicContact CB-CD2 4.34Å; I198-L220 HydrophobicContact CG1-CD2 4.12Å; I198-L220 HydrophobicContact CG2-CD2 4.29Å; I198-V224 HydrophobicContact CD1-CG2 3.78Å; I198-V224 HydrophobicContact CG1-CG2 3.59Å; I198-P252 HydrophobicContact CD1-CB 4.29Å; I198-L254 HydrophobicContact CG2-CD2 3.78Å
199H95.3Very high94.3Very high26 Ų2649 Ų4912%0.1226%0.259CS..Hα-helixtrans-59-47.2-178.7-173.9-97.8000111.8K195 E196 V202 L203 D291 F298K195-H199 WeakPolarHBondContact O-CB 3.31Å; K195-H199 PolarHBondContact O-N 3.16Å; E196-H199 PolarHBondContact O-N 2.62Å; H199-V202 PolarHBondContact O-N 3.13Å; H199-L203 WeakPolarHBondContact O-CB 3.38Å; H199-L203 PolarHBondContact O-N 3.32Å; H199-D291 IonicContact CE1-OD2 2.72Å; H199-D291 PolarHBondContact CE1-OD2 3.07Å; H199-D291 IonicContact NE2-OD2 3.86Å; H199-F298 AromaticContact NE2-CD2 3.56Å
200R94.5Very high94.2Very high155 Ų15555.9 Ų55.959%0.58529%0.285SS*.Hα-helixtrans-58.3-50.2177.7-174.8-177.1-58.5148.73.9112.2E196 I198 V202 L203 E204E196-R200 WeakPolarHBondContact O-CB 3.35Å; E196-R200 PolarHBondContact O-N 3.34Å; I198-R200 PolarHBondContact O-N 2.77Å; R200-V202 VanDerWaalsContact C-N 3.31Å; R200-V202 PolarHBondContact O-N 3.08Å; R200-L203 PolarHBondContact O-N 3.3Å; R200-E204 HydrophobicContact CG-CG 4.44Å; R200-E204 VanDerWaalsContact CG-OE1 3.32Å; R200-E204 WeakPolarHBondContact CG-OE1 3.19Å; R200-E204 WeakPolarHBondContact O-CG 3.2Å; R200-E204 PolarHBondContact O-N 2.64Å
201L95Very high93.9Very high25 Ų2560.1 Ų60.113%0.13131%0.308CS..Hα-helixtrans-61.9-40.9-179.3-176.1147.4000111.9A197 I198 E204 N205 I215 D219 L220 V223A197-L201 PolarHBondContact O-N 3.01Å; A197-L201 VanDerWaalsContact O-N 3.13Å; I198-L201 PolarHBondContact O-N 3.12Å; L201-E204 PolarHBondContact O-N 3.08Å; L201-N205 WeakPolarHBondContact CD2-ND2 3.42Å; L201-N205 PolarHBondContact O-N 3.2Å; L201-N205 PolarHBondContact O-ND2 2.87Å; L201-I215 HydrophobicContact CD2-CG2 4.08Å; L201-D219 HydrophobicContact CD1-CB 4.4Å; L201-D219 WeakPolarHBondContact CD1-O 3.4Å; L201-L220 HydrophobicContact CB-CD2 4.21Å; L201-L220 HydrophobicContact CD1-CD2 4.01Å; L201-L220 HydrophobicContact CD1-CG 4.44Å; L201-L220 HydrophobicContact CD2-CD2 3.84Å; L201-L220 HydrophobicContact CD2-CG 4.1Å; L201-L220 HydrophobicContact CG-CD2 4.24Å; L201-V223 HydrophobicContact CD1-CG2 4.44Å
202V95.7Very high93.8Very high4 Ų461.2 Ų61.22%0.02431%0.312CS..Hα-helixtrans-67.9-39.4178.8176.70000110.7I198 H199 R200 R206 I215 L254 P255 F298I198-V202 HydrophobicContact CG2-CG2 4.23Å; I198-V202 WeakPolarHBondContact O-CB 3.47Å; I198-V202 WeakPolarHBondContact O-CG2 3.36Å; I198-V202 PolarHBondContact O-N 3.02Å; H199-V202 PolarHBondContact O-N 3.13Å; R200-V202 VanDerWaalsContact C-N 3.31Å; R200-V202 PolarHBondContact O-N 3.08Å; V202-R206 WeakPolarHBondContact O-CB 3.38Å; V202-R206 PolarHBondContact O-N 3.12Å; V202-I215 HydrophobicContact CB-CD1 4.44Å; V202-I215 HydrophobicContact CG1-CD1 4.38Å; V202-I215 HydrophobicContact CG2-CD1 3.98Å; V202-L254 HydrophobicContact CG2-CD2 3.79Å; V202-P255 HydrophobicContact CB-CG 4.25Å; V202-P255 HydrophobicContact CG1-CG 4.03Å; V202-F298 HydrophobicContact CG1-CE1 3.9Å; V202-F298 HydrophobicContact CG1-CE2 4.21Å; V202-F298 HydrophobicContact CG1-CZ 3.57Å
203L94.9Very high93.7Very high35 Ų3564 Ų6418%0.18333%0.326CS..Hα-helixtrans-64.5-46175.1-179.961.2000111.7H199 R200 N205 R206 L207 P292 Y297 F298H199-L203 WeakPolarHBondContact O-CB 3.38Å; H199-L203 PolarHBondContact O-N 3.32Å; R200-L203 PolarHBondContact O-N 3.3Å; L203-N205 PolarHBondContact O-N 3.05Å; L203-R206 WeakPolarHBondContact O-CB 3.39Å; L203-R206 PolarHBondContact O-N 2.7Å; L203-R206 VanDerWaalsContact O-N 3.17Å; L203-L207 HydrophobicContact CD1-CD1 4.26Å; L203-L207 HydrophobicContact CD1-CG 4.18Å; L203-L207 HydrophobicContact CG-CD1 4.07Å; L203-L207 HydrophobicContact CG-CG 4.4Å; L203-L207 VanDerWaalsContact O-CG 3.32Å; L203-L207 WeakPolarHBondContact O-CG 3.45Å; L203-L207 PolarHBondContact O-N 3.11Å; L203-P292 HydrophobicContact CD1-CG 4.03Å; L203-Y297 HydrophobicContact CD1-CD2 3.81Å; L203-Y297 HydrophobicContact CD1-CE2 4.31Å; L203-F298 HydrophobicContact CB-CE2 4.17Å; L203-F298 HydrophobicContact CD1-CE2 4.1Å
204E94.6Very high93.9Very high113 Ų11369.9 Ų69.953%0.52835%0.352SS..Hα-helixtrans-60-44.3177.5-74.6170.6-176.700111.8R200 L201 R206 L207 A208R200-E204 HydrophobicContact CG-CG 4.44Å; R200-E204 VanDerWaalsContact CG-OE1 3.32Å; R200-E204 WeakPolarHBondContact CG-OE1 3.19Å; R200-E204 WeakPolarHBondContact O-CG 3.2Å; R200-E204 PolarHBondContact O-N 2.64Å; L201-E204 PolarHBondContact O-N 3.08Å; E204-R206 VanDerWaalsContact C-N 3.33Å; E204-R206 PolarHBondContact O-N 3.36Å; E204-L207 PolarHBondContact O-N 3.12Å; E204-A208 WeakPolarHBondContact O-CB 3.42Å; E204-A208 PolarHBondContact O-N 3.17Å
205N94.8Very high94.1Very high25 Ų2569.6 Ų69.613%0.13435%0.348CS..Hα-helixtrans-61.3-42.1174.4-81.9-64.9000112L201 L203 A208 G209 R210 I215L201-N205 WeakPolarHBondContact CD2-ND2 3.42Å; L201-N205 PolarHBondContact O-N 3.2Å; L201-N205 PolarHBondContact O-ND2 2.87Å; L203-N205 PolarHBondContact O-N 3.05Å; N205-A208 PolarHBondContact O-N 2.79Å; N205-G209 PolarHBondContact O-N 2.85Å; N205-R210 HydrophobicContact CB-CB 4.46Å; N205-R210 WeakPolarHBondContact O-CB 3.45Å; N205-R210 PolarHBondContact O-N 2.84Å; N205-R210 WeakPolarHBondContact OD1-CD 3.47Å; N205-I215 HydrophobicContact CB-CD1 4.31Å; N205-I215 HydrophobicContact CB-CG1 4.4Å
206R93.3Very high94.2Very high132 Ų13272 Ų7250%0.49836%0.359SS..Hα-helixtrans-63-44.1177.4-179.659.1178.6167.21.6111.9V202 L203 E204 A208 G209 Y297 F298V202-R206 WeakPolarHBondContact O-CB 3.38Å; V202-R206 PolarHBondContact O-N 3.12Å; L203-R206 WeakPolarHBondContact O-CB 3.39Å; L203-R206 PolarHBondContact O-N 2.7Å; L203-R206 VanDerWaalsContact O-N 3.17Å; E204-R206 VanDerWaalsContact C-N 3.33Å; E204-R206 PolarHBondContact O-N 3.36Å; R206-A208 VanDerWaalsContact C-N 3.27Å; R206-A208 PolarHBondContact O-N 2.86Å; R206-G209 PolarHBondContact O-N 3.27Å; R206-Y297 HydrophobicContact CG-CD1 4.34Å; R206-Y297 HydrophobicContact CG-CG 4.4Å; R206-F298 HydrophobicContact CB-CZ 4.29Å; R206-F298 HydrophobicContact CG-CZ 4.5Å
207L94.1Very high94.2Very high116 Ų11668.6 Ų68.661%0.60735%0.346SS*.Hα-helixtrans-66.6-29.9177.4-68.5175.4000112.2L203 E204 G209 Y297L203-L207 HydrophobicContact CD1-CD1 4.26Å; L203-L207 HydrophobicContact CD1-CG 4.18Å; L203-L207 HydrophobicContact CG-CD1 4.07Å; L203-L207 HydrophobicContact CG-CG 4.4Å; L203-L207 VanDerWaalsContact O-CG 3.32Å; L203-L207 WeakPolarHBondContact O-CG 3.45Å; L203-L207 PolarHBondContact O-N 3.11Å; E204-L207 PolarHBondContact O-N 3.12Å; L207-G209 PolarHBondContact O-N 2.73Å; L207-Y297 HydrophobicContact CD2-CE2 4.17Å
208A95.4Very high94.1Very high68 Ų6871.6 Ų71.656%0.56237%0.366SS*.THydrogen-bonded Turntrans-75.92.1171.900000113.8E204 N205 R206 R210E204-A208 WeakPolarHBondContact O-CB 3.42Å; E204-A208 PolarHBondContact O-N 3.17Å; N205-A208 PolarHBondContact O-N 2.79Å; R206-A208 VanDerWaalsContact C-N 3.27Å; R206-A208 PolarHBondContact O-N 2.86Å; A208-R210 HydrophobicContact CB-CG 4.37Å; A208-R210 PolarHBondContact O-N 2.82Å
209G93.9Very high93.9Very high68 Ų6874.9 Ų74.970%0.70138%0.384SS*.THydrogen-bonded Turntrans71.914.9179.600000114.4N205 R206 L207N205-G209 PolarHBondContact O-N 2.85Å; R206-G209 PolarHBondContact O-N 3.27Å; L207-G209 PolarHBondContact O-N 2.73Å
210R94.8Very high93.7Very high147 Ų14773.6 Ų73.656%0.55538%0.378SS*.  trans-81.6151.1176.9-63.6178.9179.1-176.2-2110.7N205 A208N205-R210 HydrophobicContact CB-CB 4.46Å; N205-R210 WeakPolarHBondContact O-CB 3.45Å; N205-R210 PolarHBondContact O-N 2.84Å; N205-R210 WeakPolarHBondContact OD1-CD 3.47Å; A208-R210 HydrophobicContact CB-CG 4.37Å; A208-R210 PolarHBondContact O-N 2.82Å
211D91.7Very high93.4Very high90 Ų9069.5 Ų69.548%0.48137%0.366SS..  trans-73.5146.8174.7-157.5-6.4000110.1D213 E214D211-D213 VanDerWaalsContact C-N 3.27Å; D211-D213 PolarHBondContact O-N 2.75Å; D211-E214 HydrophobicContact CB-CG 3.99Å; D211-E214 PolarHBondContact N-OE2 3.32Å; D211-E214 WeakPolarHBondContact O-CB 3.29Å; D211-E214 PolarHBondContact O-N 2.91Å
212R92.9Very high92.9Very high25 Ų2574.7 Ų74.79%0.09439%0.389CS..G310 helixtrans-64-38.9177.8178.3-163.3175.491.5-21.7110.9G55 H57 E214 I215 L254 P255G55-R212 PolarHBondContact O-NE 2.88Å; G55-R212 PolarHBondContact O-NH2 2.92Å; H57-R212 PolarHBondContact CE1-O 3.13Å; R212-E214 PolarHBondContact O-N 3.43Å; R212-I215 HydrophobicContact CG-CD1 4.43Å; R212-I215 WeakPolarHBondContact O-CB 3.38Å; R212-I215 WeakPolarHBondContact O-CG1 3.34Å; R212-I215 PolarHBondContact O-N 2.84Å; R212-I215 VanDerWaalsContact O-N 3.14Å; R212-L254 HydrophobicContact CG-CD1 4.25Å; R212-L254 PolarHBondContact NH2-O 3.45Å; R212-P255 PolarHBondContact NH1-O 3.16Å; R212-P255 PolarHBondContact NH2-O 3.04Å
213D91.6Very high92.5Very high96 Ų9677 Ų7751%0.51340%0.403SS..G310 helixtrans-71.9-13.9-175.1-66.5-3000111.7H57 D211 I215H57-D213 IonicContact ND1-OD1 2.76Å; H57-D213 PolarHBondContact NE2-O 2.91Å; D211-D213 VanDerWaalsContact C-N 3.27Å; D211-D213 PolarHBondContact O-N 2.75Å; D213-I215 VanDerWaalsContact C-N 3.33Å
214E93.6Very high92.1Very high124 Ų12475.4 Ų75.458%0.57940%0.395SS*.G310 helixtrans-77.3-15.7172.5-68.2174.5168.500113.6D211 R212 K216D211-E214 HydrophobicContact CB-CG 3.99Å; D211-E214 PolarHBondContact N-OE2 3.32Å; D211-E214 WeakPolarHBondContact O-CB 3.29Å; D211-E214 PolarHBondContact O-N 2.91Å; R212-E214 PolarHBondContact O-N 3.43Å; E214-K216 PolarHBondContact O-N 3.01Å
215I95.3Very high91.7Very high4 Ų472.2 Ų72.22%0.02138%0.38CS..  trans-63.8127.4177-62.5167.6000108.4H57 L58 L201 V202 N205 R212 D213 L220H57-I215 PolarHBondContact NE2-O 2.96Å; L58-I215 HydrophobicContact CD1-CG2 4.25Å; L58-I215 WeakPolarHBondContact CD2-O 3.4Å; L201-I215 HydrophobicContact CD2-CG2 4.08Å; V202-I215 HydrophobicContact CB-CD1 4.44Å; V202-I215 HydrophobicContact CG1-CD1 4.38Å; V202-I215 HydrophobicContact CG2-CD1 3.98Å; N205-I215 HydrophobicContact CB-CD1 4.31Å; N205-I215 HydrophobicContact CB-CG1 4.4Å; R212-I215 HydrophobicContact CG-CD1 4.43Å; R212-I215 WeakPolarHBondContact O-CB 3.38Å; R212-I215 WeakPolarHBondContact O-CG1 3.34Å; R212-I215 PolarHBondContact O-N 2.84Å; R212-I215 VanDerWaalsContact O-N 3.14Å; D213-I215 VanDerWaalsContact C-N 3.33Å; I215-L220 HydrophobicContact CG2-CD1 3.79Å; I215-L220 HydrophobicContact CG2-CG 4.3Å
216K94.4Very high91.2Very high131 Ų13176.1 Ų76.157%0.5740%0.397SS*.  trans-99.4157.2-177.6-62.3-177.3-178.3178.50111.6E214 S218 D219E214-K216 PolarHBondContact O-N 3.01Å; K216-S218 PolarHBondContact O-N 3.2Å; K216-D219 WeakPolarHBondContact CB-OD2 3.47Å; K216-D219 PolarHBondContact N-OD2 3.01Å; K216-D219 WeakPolarHBondContact O-CB 3.16Å; K216-D219 PolarHBondContact O-N 2.92Å; K216-D219 VanDerWaalsContact O-N 3.1Å
217P92.9Very high90.8Very high39 Ų3971 Ų7125%0.25338%0.382SS..Hα-helixtrans-54.6-36.9173.2-23.831.1000113.4L58 L62 D219 L220 Q221L58-P217 HydrophobicContact CD2-CG 3.87Å; L62-P217 HydrophobicContact CD1-CB 4.29Å; L62-P217 HydrophobicContact CD1-CG 4.45Å; L62-P217 HydrophobicContact CD2-CB 4.3Å; L62-P217 HydrophobicContact CD2-CG 4.16Å; L62-P217 HydrophobicContact CG-CG 4.44Å; P217-D219 PolarHBondContact O-N 3.47Å; P217-L220 PolarHBondContact O-N 3.33Å; P217-Q221 WeakPolarHBondContact O-CB 3.4Å; P217-Q221 PolarHBondContact O-N 3.43Å
218S91.8Very high90.2Very high78 Ų7865.4 Ų65.455%0.54535%0.353SS..Hα-helixtrans-60-32.4179.650.60000113.1K216 L220K216-S218 PolarHBondContact O-N 3.2Å; S218-L220 VanDerWaalsContact C-N 3.27Å; S218-L220 PolarHBondContact O-N 2.73Å
219D91Very high89.6Confident71 Ų7165.2 Ų65.238%0.3834%0.338SS..Hα-helixtrans-72.5-26.9-175.9-51.8-28.4000111.3L201 K216 P217L201-D219 HydrophobicContact CD1-CB 4.4Å; L201-D219 WeakPolarHBondContact CD1-O 3.4Å; K216-D219 WeakPolarHBondContact CB-OD2 3.47Å; K216-D219 PolarHBondContact N-OD2 3.01Å; K216-D219 WeakPolarHBondContact O-CB 3.16Å; K216-D219 PolarHBondContact O-N 2.92Å; K216-D219 VanDerWaalsContact O-N 3.1Å; P217-D219 PolarHBondContact O-N 3.47Å
220L92.1Very high89Confident0 Ų065.8 Ų65.80%033%0.331CS..Hα-helixtrans-104.5-22.4-175.8-75.1165000113.5L58 I198 L201 I215 P217 S218 E222 V223 V224 P252 L254L58-L220 HydrophobicContact CD1-CD1 3.65Å; I198-L220 HydrophobicContact CB-CD2 4.34Å; I198-L220 HydrophobicContact CG1-CD2 4.12Å; I198-L220 HydrophobicContact CG2-CD2 4.29Å; L201-L220 HydrophobicContact CB-CD2 4.21Å; L201-L220 HydrophobicContact CD1-CD2 4.01Å; L201-L220 HydrophobicContact CD1-CG 4.44Å; L201-L220 HydrophobicContact CD2-CD2 3.84Å; L201-L220 HydrophobicContact CD2-CG 4.1Å; L201-L220 HydrophobicContact CG-CD2 4.24Å; I215-L220 HydrophobicContact CG2-CD1 3.79Å; I215-L220 HydrophobicContact CG2-CG 4.3Å; P217-L220 PolarHBondContact O-N 3.33Å; S218-L220 VanDerWaalsContact C-N 3.27Å; S218-L220 PolarHBondContact O-N 2.73Å; L220-E222 PolarHBondContact O-N 3.49Å; L220-V223 PolarHBondContact O-N 3.16Å; L220-V224 HydrophobicContact CB-CG2 4.47Å; L220-V224 WeakPolarHBondContact O-CB 3.29Å; L220-V224 VanDerWaalsContact O-CG2 3.24Å; L220-V224 WeakPolarHBondContact O-CG2 3.42Å; L220-V224 PolarHBondContact O-N 3.4Å; L220-P252 HydrophobicContact CB-CB 4.28Å; L220-P252 HydrophobicContact CB-CG 4.2Å; L220-P252 HydrophobicContact CD1-CB 3.96Å; L220-P252 HydrophobicContact CD1-CG 3.98Å; L220-L254 HydrophobicContact CD1-CD2 3.47Å; L220-L254 VanDerWaalsContact CD1-CD2 3.47Å
221Q86.7Confident88.1Confident69 Ų6960.9 Ų60.932%0.32232%0.316SS..Hα-helixtrans-58.4-51.6-171.2-177.5163.53.300112.4P217 Q225P217-Q221 WeakPolarHBondContact O-CB 3.4Å; P217-Q221 PolarHBondContact O-N 3.43Å; Q221-Q225 WeakPolarHBondContact O-CB 3.33Å; Q221-Q225 WeakPolarHBondContact O-CG 3.37Å; Q221-Q225 PolarHBondContact O-N 3.33Å
222E85.7Confident87.1Confident134 Ų13464.6 Ų64.663%0.62633%0.328SS*.Hα-helixtrans-64.6-45.3179.5-175.6175.5-172.300111.3L220 V224 Q225 Q226L220-E222 PolarHBondContact O-N 3.49Å; E222-V224 VanDerWaalsContact C-N 3.34Å; E222-V224 PolarHBondContact O-N 2.97Å; E222-Q225 PolarHBondContact O-N 2.78Å; E222-Q226 HydrophobicContact CG-CG 4.3Å; E222-Q226 WeakPolarHBondContact O-CB 3.26Å; E222-Q226 VanDerWaalsContact O-CG 3.28Å; E222-Q226 WeakPolarHBondContact O-CG 3.28Å; E222-Q226 PolarHBondContact O-N 3.45Å
223V86.5Confident86Confident52 Ų5267.8 Ų67.832%0.31535%0.35SS..Hα-helixtrans-60.8-43.5-178.8176.30000111.6A197 L201 L220 S227A197-V223 HydrophobicContact CB-CG1 3.33Å; L201-V223 HydrophobicContact CD1-CG2 4.44Å; L220-V223 PolarHBondContact O-N 3.16Å; V223-S227 WeakPolarHBondContact O-CB 3.19Å; V223-S227 PolarHBondContact O-N 3.4Å; V223-S227 VanDerWaalsContact O-N 3.08Å; V223-S227 PolarHBondContact O-OG 2.76Å
224V87.3Confident85.1Confident1 Ų163.5 Ų63.51%0.00633%0.328CS..Hα-helixtrans-68-47177.2171.70000110.5H85 I198 L220 E222 Q226 S227 V228 F250 P252H85-V224 HydrophobicContact CB-CG1 3.78Å; I198-V224 HydrophobicContact CD1-CG2 3.78Å; I198-V224 HydrophobicContact CG1-CG2 3.59Å; L220-V224 HydrophobicContact CB-CG2 4.47Å; L220-V224 WeakPolarHBondContact O-CB 3.29Å; L220-V224 VanDerWaalsContact O-CG2 3.24Å; L220-V224 WeakPolarHBondContact O-CG2 3.42Å; L220-V224 PolarHBondContact O-N 3.4Å; E222-V224 VanDerWaalsContact C-N 3.34Å; E222-V224 PolarHBondContact O-N 2.97Å; V224-Q226 PolarHBondContact O-N 3.46Å; V224-S227 PolarHBondContact O-N 3.08Å; V224-V228 HydrophobicContact CG1-CG2 4.33Å; V224-V228 VanDerWaalsContact O-CG2 3.28Å; V224-V228 WeakPolarHBondContact O-CG2 3.22Å; V224-V228 PolarHBondContact O-N 2.82Å; V224-F250 HydrophobicContact CG1-CB 4.42Å; V224-F250 HydrophobicContact CG1-CD1 4.19Å; V224-P252 HydrophobicContact CG2-CB 4.41Å
225Q85.4Confident84.1Confident46 Ų4657.7 Ų57.722%0.21530%0.301CS..Hα-helixtrans-56.6-52.4177.9-77.4176-7.300111.5Q221 E222 S227 V228 Y229 F250Q221-Q225 WeakPolarHBondContact O-CB 3.33Å; Q221-Q225 WeakPolarHBondContact O-CG 3.37Å; Q221-Q225 PolarHBondContact O-N 3.33Å; E222-Q225 PolarHBondContact O-N 2.78Å; Q225-S227 VanDerWaalsContact C-N 3.27Å; Q225-S227 PolarHBondContact O-N 1.99Å; Q225-V228 PolarHBondContact O-N 3.42Å; Q225-V228 VanDerWaalsContact O-N 3.11Å; Q225-Y229 HydrophobicContact CB-CE1 4.42Å; Q225-Y229 HydrophobicContact CB-CE2 4.3Å; Q225-Y229 WeakPolarHBondContact O-CB 3.22Å; Q225-Y229 WeakPolarHBondContact O-CD1 3.26Å; Q225-Y229 PolarHBondContact O-N 2.95Å; Q225-F250 HydrophobicContact CG-CD1 4.41Å; Q225-F250 HydrophobicContact CG-CD2 3.59Å; Q225-F250 HydrophobicContact CG-CE1 4.35Å; Q225-F250 HydrophobicContact CG-CE2 3.52Å; Q225-F250 HydrophobicContact CG-CG 4.05Å; Q225-F250 HydrophobicContact CG-CZ 3.91Å
226Q85.6Confident83.3Confident107 Ų10757.5 Ų57.550%0.530%0.3SS..Hα-helixtrans-59.6-38.3178.7-68-62.1-19.900112.3E222 V224 Y229 S230E222-Q226 HydrophobicContact CG-CG 4.3Å; E222-Q226 WeakPolarHBondContact O-CB 3.26Å; E222-Q226 VanDerWaalsContact O-CG 3.28Å; E222-Q226 WeakPolarHBondContact O-CG 3.28Å; E222-Q226 PolarHBondContact O-N 3.45Å; V224-Q226 PolarHBondContact O-N 3.46Å; Q226-Y229 PolarHBondContact O-N 3.29Å; Q226-S230 WeakPolarHBondContact O-CB 3.18Å; Q226-S230 PolarHBondContact O-N 2.98Å; Q226-S230 PolarHBondContact O-OG 3.19Å
227S84.3Confident82.5Confident24 Ų2454.9 Ų54.917%0.16829%0.287CS..Hα-helixtrans-67.9-37.4177.5-60.30000112.5A197 V223 V224 Q225 Y229 S230 N231A197-S227 VanDerWaalsContact CB-OG 3.24Å; A197-S227 WeakPolarHBondContact CB-OG 3.39Å; V223-S227 WeakPolarHBondContact O-CB 3.19Å; V223-S227 PolarHBondContact O-N 3.4Å; V223-S227 VanDerWaalsContact O-N 3.08Å; V223-S227 PolarHBondContact O-OG 2.76Å; V224-S227 PolarHBondContact O-N 3.08Å; Q225-S227 VanDerWaalsContact C-N 3.27Å; Q225-S227 PolarHBondContact O-N 1.99Å; S227-Y229 VanDerWaalsContact C-N 3.34Å; S227-S230 PolarHBondContact O-OG 2.02Å; S227-N231 WeakPolarHBondContact O-CB 2.85Å; S227-N231 PolarHBondContact O-N 3.11Å; S227-N231 VanDerWaalsContact O-N 3.16Å
228V82.3Confident81.7Confident0 Ų058.3 Ų58.30%030%0.303CS..Hα-helixtrans-68.4-38.7174.8175.70000110.2H85 A193 V224 Q225 S230 L236 I242 F250H85-V228 WeakPolarHBondContact CE1-CG2 2.98Å; A193-V228 HydrophobicContact CB-CG2 4.24Å; V224-V228 HydrophobicContact CG1-CG2 4.33Å; V224-V228 VanDerWaalsContact O-CG2 3.28Å; V224-V228 WeakPolarHBondContact O-CG2 3.22Å; V224-V228 PolarHBondContact O-N 2.82Å; Q225-V228 PolarHBondContact O-N 3.42Å; Q225-V228 VanDerWaalsContact O-N 3.11Å; V228-S230 VanDerWaalsContact C-N 3.33Å; V228-S230 PolarHBondContact O-N 2.95Å; V228-L236 HydrophobicContact CG1-CB 4.17Å; V228-L236 HydrophobicContact CG1-CD1 4.18Å; V228-I242 HydrophobicContact CG1-CD1 3.63Å; V228-F250 HydrophobicContact CG2-CE1 4.38Å
229Y82.6Confident81.2Confident63 Ų6354.7 Ų54.725%0.24728%0.277CS..Hα-helixtrans-71.7-30-176.7-63.2-0.2000112.4Q225 Q226 S227 Y237 I242 F250Q225-Y229 HydrophobicContact CB-CE1 4.42Å; Q225-Y229 HydrophobicContact CB-CE2 4.3Å; Q225-Y229 WeakPolarHBondContact O-CB 3.22Å; Q225-Y229 WeakPolarHBondContact O-CD1 3.26Å; Q225-Y229 PolarHBondContact O-N 2.95Å; Q226-Y229 PolarHBondContact O-N 3.29Å; S227-Y229 VanDerWaalsContact C-N 3.34Å; Y229-Y237 WeakPolarHBondContact O-CD2 2.9Å; Y229-Y237 VanDerWaalsContact O-CE2 3.26Å; Y229-Y237 WeakPolarHBondContact O-CE2 2.94Å; Y229-I242 HydrophobicContact CD1-CD1 3.65Å; Y229-I242 HydrophobicContact CD1-CG1 4.41Å; Y229-I242 HydrophobicContact CD1-CG2 3.46Å; Y229-I242 VanDerWaalsContact CD1-CG2 3.46Å; Y229-I242 HydrophobicContact CE1-CB 4.2Å; Y229-I242 HydrophobicContact CE1-CD1 3.7Å; Y229-I242 HydrophobicContact CE1-CG1 4.05Å; Y229-I242 HydrophobicContact CE1-CG2 3.19Å; Y229-I242 HydrophobicContact CE2-CG2 4.29Å; Y229-I242 HydrophobicContact CG-CG2 4.14Å; Y229-F250 HydrophobicContact CE1-CZ 4.25Å
230S79.8Confident80.9Confident80 Ų8051.9 Ų51.956%0.55926%0.264SS*.Hα-helixtrans-93.8-16.7-178.556.40000114.1Q226 S227 V228 K232Q226-S230 WeakPolarHBondContact O-CB 3.18Å; Q226-S230 PolarHBondContact O-N 2.98Å; Q226-S230 PolarHBondContact O-OG 3.19Å; S227-S230 PolarHBondContact O-OG 2.02Å; V228-S230 VanDerWaalsContact C-N 3.33Å; V228-S230 PolarHBondContact O-N 2.95Å; S230-K232 PolarHBondContact O-N 3.17Å; S230-K232 VanDerWaalsContact O-N 3.09Å
231N76.8Confident80.7Confident44 Ų4451.9 Ų51.924%0.23526%0.264CS..  trans-78.898.6-174.8-176.47.7000112.3S227 T233 S234 Y237S227-N231 WeakPolarHBondContact O-CB 2.85Å; S227-N231 PolarHBondContact O-N 3.11Å; S227-N231 VanDerWaalsContact O-N 3.16Å; N231-T233 PolarHBondContact ND2-OG1 3.25Å; N231-T233 PolarHBondContact O-N 3.47Å; N231-T233 PolarHBondContact OD1-N 3.49Å; N231-T233 VanDerWaalsContact OD1-N 3.15Å; N231-T233 PolarHBondContact OD1-OG1 3.05Å; N231-S234 WeakPolarHBondContact O-CB 3.12Å; N231-S234 PolarHBondContact O-N 3.21Å; N231-Y237 VanDerWaalsContact O-CB 3.27Å; N231-Y237 WeakPolarHBondContact O-CB 3.33Å; N231-Y237 WeakPolarHBondContact O-CD2 3.36Å
232K71.8Confident80.7Confident168 Ų16849.4 Ų49.473%0.7325%0.252SS*.THydrogen-bonded Turntrans-55.2-21.9179.2-63.4-177.1-179179.50115.5S230 Y237S230-K232 PolarHBondContact O-N 3.17Å; S230-K232 VanDerWaalsContact O-N 3.09Å; K232-Y237 HydrophobicContact CB-CD1 4.49Å; K232-Y237 HydrophobicContact CB-CE1 4.34Å; K232-Y237 HydrophobicContact CG-CE1 3.97Å; K232-Y237 HydrophobicContact CG-CE2 4.06Å
233T68.1Low80.6Confident93 Ų9349.4 Ų49.457%0.57125%0.252SS*.THydrogen-bonded Turntrans-90.7-9.8178.264.50000112.9E157 N231E157-T233 CarbonylContact C-O 3.19Å; E157-T233 WeakPolarHBondContact CA-O 3.33Å; N231-T233 PolarHBondContact ND2-OG1 3.25Å; N231-T233 PolarHBondContact O-N 3.47Å; N231-T233 PolarHBondContact OD1-N 3.49Å; N231-T233 VanDerWaalsContact OD1-N 3.15Å; N231-T233 PolarHBondContact OD1-OG1 3.05Å
234S73.6Confident80.6Confident6 Ų651.6 Ų51.64%0.04226%0.259CS..SBendtrans-70.3133.9175.2-172.50000110.4N231 L236 Y237N231-S234 WeakPolarHBondContact O-CB 3.12Å; N231-S234 PolarHBondContact O-N 3.21Å; S234-L236 PolarHBondContact O-N 2.84Å; S234-L236 VanDerWaalsContact O-N 3.11Å; S234-L236 PolarHBondContact OG-N 3.42Å; S234-Y237 WeakPolarHBondContact O-CB 3.44Å; S234-Y237 PolarHBondContact O-N 2.78Å
235G72.4Confident80.7Confident2 Ų256.8 Ų56.82%0.02129%0.287CS..THydrogen-bonded Turntrans-60.9-17.5169.600000114.1M156 I164M156-G235 WeakPolarHBondContact O-CA 3.38Å; M156-G235 PolarHBondContact O-N 3.32Å; I164-G235 VanDerWaalsContact CG2-O 3.25Å; I164-G235 WeakPolarHBondContact CG2-O 3.35Å
236L78.1Confident81Confident0 Ų055.1 Ų55.10%028%0.279CS..THydrogen-bonded Turntrans-87.2-9.5173.8-63.5171.8000112.8M156 I164 F189 V228 S234 L238 S239 I242 I247M156-L236 HydrophobicContact CE-CD2 3.89Å; M156-L236 HydrophobicContact CE-CG 3.88Å; I164-L236 HydrophobicContact CG2-CD2 4.32Å; F189-L236 HydrophobicContact CD2-CD1 4.44Å; F189-L236 HydrophobicContact CD2-CD2 4.2Å; F189-L236 HydrophobicContact CE2-CD2 4.32Å; V228-L236 HydrophobicContact CG1-CB 4.17Å; V228-L236 HydrophobicContact CG1-CD1 4.18Å; S234-L236 PolarHBondContact O-N 2.84Å; S234-L236 VanDerWaalsContact O-N 3.11Å; S234-L236 PolarHBondContact OG-N 3.42Å; L236-L238 PolarHBondContact O-N 3.48Å; L236-S239 VanDerWaalsContact O-CB 3.24Å; L236-S239 WeakPolarHBondContact O-CB 3.46Å; L236-S239 PolarHBondContact O-N 2.78Å; L236-S239 PolarHBondContact O-OG 3.37Å; L236-I242 HydrophobicContact CB-CD1 3.62Å; L236-I242 HydrophobicContact CB-CG1 4.34Å; L236-I242 WeakPolarHBondContact O-CD1 3.5Å; L236-I247 HydrophobicContact CD1-CD1 4.37Å
237Y78.4Confident81.4Confident76 Ų7650.9 Ų50.930%0.29826%0.26SS..THydrogen-bonded Turntrans-57.6123-179.6-179-108.9000111.3Y229 N231 K232 S234 S239Y229-Y237 WeakPolarHBondContact O-CD2 2.9Å; Y229-Y237 VanDerWaalsContact O-CE2 3.26Å; Y229-Y237 WeakPolarHBondContact O-CE2 2.94Å; N231-Y237 VanDerWaalsContact O-CB 3.27Å; N231-Y237 WeakPolarHBondContact O-CB 3.33Å; N231-Y237 WeakPolarHBondContact O-CD2 3.36Å; K232-Y237 HydrophobicContact CB-CD1 4.49Å; K232-Y237 HydrophobicContact CB-CE1 4.34Å; K232-Y237 HydrophobicContact CG-CE1 3.97Å; K232-Y237 HydrophobicContact CG-CE2 4.06Å; S234-Y237 WeakPolarHBondContact O-CB 3.44Å; S234-Y237 PolarHBondContact O-N 2.78Å; Y237-S239 PolarHBondContact O-N 3.18Å
238L75.6Confident81.9Confident110 Ų11051.5 Ų51.558%0.57626%0.263SS*.THydrogen-bonded Turntrans5515.6-175.1-59.3175.1000114.8L236 Q243L236-L238 PolarHBondContact O-N 3.48Å; L238-Q243 PolarHBondContact O-NE2 2.74Å
239S82.3Confident82.5Confident2 Ų253.9 Ų53.91%0.01427%0.272CS..  trans-65145.7176.865.40000111.2D165 L236 Y237 I241 I242 Q243D165-S239 WeakPolarHBondContact OD1-CA 3.48Å; D165-S239 WeakPolarHBondContact OD1-CB 3.23Å; L236-S239 VanDerWaalsContact O-CB 3.24Å; L236-S239 WeakPolarHBondContact O-CB 3.46Å; L236-S239 PolarHBondContact O-N 2.78Å; L236-S239 PolarHBondContact O-OG 3.37Å; Y237-S239 PolarHBondContact O-N 3.18Å; S239-I241 PolarHBondContact O-N 3.19Å; S239-I242 PolarHBondContact O-N 2.85Å; S239-I242 VanDerWaalsContact O-N 3.16Å; S239-I242 PolarHBondContact OG-N 3.47Å; S239-Q243 WeakPolarHBondContact O-CG 3.38Å; S239-Q243 PolarHBondContact O-N 2.74Å; S239-Q243 VanDerWaalsContact O-N 3.16Å
240S84.6Confident83.1Confident13 Ų1351.6 Ų51.69%0.09126%0.263CS..Hα-helixtrans-51.5-36.4168.655.10000112.5D165 E168 I242 Q243 Q244D165-S240 WeakPolarHBondContact CB-OG 3.47Å; D165-S240 PolarHBondContact OD1-N 3.06Å; D165-S240 PolarHBondContact OD1-OG 3.12Å; E168-S240 WeakPolarHBondContact OE2-CB 3.4Å; E168-S240 PolarHBondContact OE2-OG 3.3Å; S240-I242 VanDerWaalsContact C-N 3.29Å; S240-I242 PolarHBondContact O-N 2.8Å; S240-Q243 PolarHBondContact O-N 3.32Å; S240-Q244 WeakPolarHBondContact O-CB 3.47Å; S240-Q244 WeakPolarHBondContact O-CG 3.49Å; S240-Q244 PolarHBondContact O-N 2.96Å
241I87.4Confident84Confident0 Ų047.8 Ų47.80%024%0.236CC..Hα-helixtrans-56.5-43.6179-61.9-179.7000111.3I164 L167 L171 F189 S239 N245 L246 I247I164-I241 HydrophobicContact CB-CD1 4.38Å; I164-I241 HydrophobicContact CG1-CD1 3.65Å; I164-I241 HydrophobicContact CG2-CD1 4.1Å; L167-I241 HydrophobicContact CB-CD1 4.46Å; L171-I241 HydrophobicContact CD1-CD1 3.65Å; L171-I241 HydrophobicContact CD1-CG1 3.89Å; L171-I241 HydrophobicContact CD1-CG2 3.98Å; F189-I241 HydrophobicContact CE2-CD1 4.38Å; F189-I241 HydrophobicContact CE2-CG2 4.24Å; F189-I241 HydrophobicContact CZ-CD1 4.23Å; S239-I241 PolarHBondContact O-N 3.19Å; I241-N245 PolarHBondContact O-N 2.8Å; I241-L246 HydrophobicContact CG2-CB 4.09Å; I241-L246 PolarHBondContact O-N 3.44Å; I241-I247 HydrophobicContact CG2-CG1 4.07Å
242I85.4Confident84.9Confident16 Ų1646 Ų468%0.08223%0.227CC..Hα-helixtrans-74.6-45.9177.6-73.8-173.9000110.9V228 Y229 L236 S239 S240 Q244 N245 I247V228-I242 HydrophobicContact CG1-CD1 3.63Å; Y229-I242 HydrophobicContact CD1-CD1 3.65Å; Y229-I242 HydrophobicContact CD1-CG1 4.41Å; Y229-I242 HydrophobicContact CD1-CG2 3.46Å; Y229-I242 VanDerWaalsContact CD1-CG2 3.46Å; Y229-I242 HydrophobicContact CE1-CB 4.2Å; Y229-I242 HydrophobicContact CE1-CD1 3.7Å; Y229-I242 HydrophobicContact CE1-CG1 4.05Å; Y229-I242 HydrophobicContact CE1-CG2 3.19Å; Y229-I242 HydrophobicContact CE2-CG2 4.29Å; Y229-I242 HydrophobicContact CG-CG2 4.14Å; L236-I242 HydrophobicContact CB-CD1 3.62Å; L236-I242 HydrophobicContact CB-CG1 4.34Å; L236-I242 WeakPolarHBondContact O-CD1 3.5Å; S239-I242 PolarHBondContact O-N 2.85Å; S239-I242 VanDerWaalsContact O-N 3.16Å; S239-I242 PolarHBondContact OG-N 3.47Å; S240-I242 VanDerWaalsContact C-N 3.29Å; S240-I242 PolarHBondContact O-N 2.8Å; I242-Q244 PolarHBondContact O-N 3.02Å; I242-N245 PolarHBondContact O-N 2.65Å; I242-I247 HydrophobicContact CG1-CD1 4.2Å
243Q84Confident86.2Confident134 Ų13438 Ų3863%0.62619%0.192SC*.Hα-helixtrans-58.7-33.4-178.5-67.6175.8600112.5L238 S239 S240L238-Q243 PolarHBondContact O-NE2 2.74Å; S239-Q243 WeakPolarHBondContact O-CG 3.38Å; S239-Q243 PolarHBondContact O-N 2.74Å; S239-Q243 VanDerWaalsContact O-N 3.16Å; S240-Q243 PolarHBondContact O-N 3.32Å
244Q86.3Confident87.6Confident98 Ų9833.5 Ų33.546%0.45817%0.165SC..THydrogen-bonded Turntrans-94.46.7179.2-64.6-173.919.600114.1E168 S240 I242 L246E168-Q244 PolarHBondContact OE1-NE2 2.84Å; E168-Q244 PolarHBondContact OE1-OE1 3.3Å; S240-Q244 WeakPolarHBondContact O-CB 3.47Å; S240-Q244 WeakPolarHBondContact O-CG 3.49Å; S240-Q244 PolarHBondContact O-N 2.96Å; I242-Q244 PolarHBondContact O-N 3.02Å; Q244-L246 VanDerWaalsContact C-N 3.3Å; Q244-L246 HydrophobicContact CB-CD1 4.13Å; Q244-L246 HydrophobicContact CB-CD2 4.06Å; Q244-L246 HydrophobicContact CB-CG 3.77Å; Q244-L246 PolarHBondContact O-N 3.22Å
245N89.3Confident88.7Confident110 Ų11033.3 Ų33.359%0.58816%0.164SC*.THydrogen-bonded Turntrans51.744.8-178.3-64.1-55.5000113.5R78 I241 I242 I247R78-N245 PolarHBondContact NH1-O 3.38Å; I241-N245 PolarHBondContact O-N 2.8Å; I242-N245 PolarHBondContact O-N 2.65Å; N245-I247 VanDerWaalsContact C-N 3.31Å
246L92.1Very high89.9Confident11 Ų1133.4 Ų33.46%0.05816%0.164CC..  trans-82.1-8.2-177.6-58.4179.8000113.4V81 E168 L171 I241 Q244V81-L246 WeakPolarHBondContact CB-O 3.2Å; V81-L246 WeakPolarHBondContact CG2-O 3.34Å; E168-L246 HydrophobicContact CB-CD1 4.47Å; E168-L246 HydrophobicContact CG-CD1 3.88Å; L171-L246 HydrophobicContact CB-CB 3.98Å; L171-L246 HydrophobicContact CB-CD1 3.89Å; L171-L246 HydrophobicContact CB-CG 4.41Å; L171-L246 HydrophobicContact CD1-CB 4.5Å; I241-L246 HydrophobicContact CG2-CB 4.09Å; I241-L246 PolarHBondContact O-N 3.44Å; Q244-L246 VanDerWaalsContact C-N 3.3Å; Q244-L246 HydrophobicContact CB-CD1 4.13Å; Q244-L246 HydrophobicContact CB-CD2 4.06Å; Q244-L246 HydrophobicContact CB-CG 3.77Å; Q244-L246 PolarHBondContact O-N 3.22Å
247I94.1Very high90.7Very high18 Ų1834.9 Ų34.99%0.09217%0.172CC..  trans-78.5124.5173.3-64.8169.9000109V81 L236 I241 I242 N245 F250V81-I247 HydrophobicContact CG1-CG1 4.17Å; L236-I247 HydrophobicContact CD1-CD1 4.37Å; I241-I247 HydrophobicContact CG2-CG1 4.07Å; I242-I247 HydrophobicContact CG1-CD1 4.2Å; N245-I247 VanDerWaalsContact C-N 3.31Å; I247-F250 HydrophobicContact CB-CE2 4.12Å; I247-F250 HydrophobicContact CB-CZ 4.23Å; I247-F250 HydrophobicContact CD1-CE1 3.82Å; I247-F250 HydrophobicContact CD1-CE2 4.27Å; I247-F250 HydrophobicContact CD1-CZ 3.51Å; I247-F250 HydrophobicContact CG1-CZ 4.45Å; I247-F250 HydrophobicContact CG2-CD2 3.99Å; I247-F250 HydrophobicContact CG2-CE1 4.43Å; I247-F250 HydrophobicContact CG2-CE2 3.79Å; I247-F250 HydrophobicContact CG2-CG 4.41Å; I247-F250 HydrophobicContact CG2-CZ 4.04Å
248T95.1Very high91.6Very high37 Ų3735.9 Ų35.923%0.22718%0.176CC..SBendtrans-70.3-51.4176-47.90000110.5L80 V81L80-T248 HydrophobicContact CD1-CG2 3.87Å; V81-T248 PolarHBondContact N-OG1 2.69Å; V81-T248 WeakPolarHBondContact O-CA 3.36Å; V81-T248 VanDerWaalsContact O-CB 3.29Å; V81-T248 WeakPolarHBondContact O-CB 2.85Å; V81-T248 PolarHBondContact O-N 2.65Å
249R95.5Very high92.5Very high51 Ų5134.6 Ų34.619%0.19217%0.173CC..EExtended strand (participates in β ladder)trans-145.8133.2-176.2-164.672.9-164.6-159.72.9112.6E66 V81 L82 S83 V251E66-R249 HydrophobicContact CG-CB 3.97Å; E66-R249 HydrophobicContact CG-CG 4.06Å; E66-R249 WeakPolarHBondContact OE1-CD 3.29Å; V81-R249 PolarHBondContact O-N 3.37Å; L82-R249 HydrophobicContact CD2-CB 3.98Å; S83-R249 PolarHBondContact N-O 3.25Å; R249-V251 HydrophobicContact CG-CG2 4.32Å
250F94.9Very high93.3Very high14 Ų1435.6 Ų35.66%0.06118%0.177CC..EExtended strand (participates in β ladder)trans-86.5127163.8-68.3-92000109S83 H85 V224 Q225 V228 Y229 I247S83-F250 CarbonylContact O-C 3.55Å; S83-F250 WeakPolarHBondContact O-CA 3.41Å; H85-F250 AromaticContact CD2-CD1 3.68Å; H85-F250 AromaticContact NE2-CD1 3.5Å; H85-F250 AromaticContact NE2-CE1 3.83Å; V224-F250 HydrophobicContact CG1-CB 4.42Å; V224-F250 HydrophobicContact CG1-CD1 4.19Å; Q225-F250 HydrophobicContact CG-CD1 4.41Å; Q225-F250 HydrophobicContact CG-CD2 3.59Å; Q225-F250 HydrophobicContact CG-CE1 4.35Å; Q225-F250 HydrophobicContact CG-CE2 3.52Å; Q225-F250 HydrophobicContact CG-CG 4.05Å; Q225-F250 HydrophobicContact CG-CZ 3.91Å; V228-F250 HydrophobicContact CG2-CE1 4.38Å; Y229-F250 HydrophobicContact CE1-CZ 4.25Å; I247-F250 HydrophobicContact CB-CE2 4.12Å; I247-F250 HydrophobicContact CB-CZ 4.23Å; I247-F250 HydrophobicContact CD1-CE1 3.82Å; I247-F250 HydrophobicContact CD1-CE2 4.27Å; I247-F250 HydrophobicContact CD1-CZ 3.51Å; I247-F250 HydrophobicContact CG1-CZ 4.45Å; I247-F250 HydrophobicContact CG2-CD2 3.99Å; I247-F250 HydrophobicContact CG2-CE1 4.43Å; I247-F250 HydrophobicContact CG2-CE2 3.79Å; I247-F250 HydrophobicContact CG2-CG 4.41Å; I247-F250 HydrophobicContact CG2-CZ 4.04Å
251V97.4Very high93.9Very high0 Ų035 Ų350%017%0.173CC..EExtended strand (participates in β ladder)trans-114.8105.3-177-173.10000108.9A59 L62 V63 L82 S83 F84 H85 R249 F253A59-V251 HydrophobicContact CB-CG1 3.68Å; L62-V251 HydrophobicContact CB-CG1 4.5Å; L62-V251 HydrophobicContact CB-CG2 4.49Å; V63-V251 HydrophobicContact CG2-CG1 4.05Å; V63-V251 HydrophobicContact CG2-CG2 4.24Å; L82-V251 HydrophobicContact CD2-CG2 4.46Å; S83-V251 PolarHBondContact O-N 3.21Å; F84-V251 WeakPolarHBondContact CA-O 3.36Å; F84-V251 HydrophobicContact CD1-CB 3.67Å; F84-V251 HydrophobicContact CD1-CG1 4.27Å; F84-V251 HydrophobicContact CD1-CG2 3.86Å; F84-V251 HydrophobicContact CE1-CB 4.06Å; F84-V251 HydrophobicContact CE1-CG1 4.41Å; F84-V251 HydrophobicContact CE1-CG2 3.86Å; H85-V251 PolarHBondContact N-O 3.33Å; R249-V251 HydrophobicContact CG-CG2 4.32Å; V251-F253 HydrophobicContact CB-CE2 4.36Å; V251-F253 HydrophobicContact CG1-CD2 4.43Å; V251-F253 HydrophobicContact CG1-CE2 3.83Å; V251-F253 WeakPolarHBondContact O-CD2 3.4Å
252P97.1Very high94.4Very high6 Ų637 Ų374%0.03918%0.182CC..EExtended strand (participates in β ladder)trans-77.6138.8178.931.2-33.5000111.5L58 H85 I198 L220 V224L58-P252 HydrophobicContact CB-CG 4.35Å; L58-P252 HydrophobicContact CD1-CG 3.95Å; H85-P252 CarbonylContact O-C 3.57Å; H85-P252 WeakPolarHBondContact O-CA 3.41Å; I198-P252 HydrophobicContact CD1-CB 4.29Å; L220-P252 HydrophobicContact CB-CB 4.28Å; L220-P252 HydrophobicContact CB-CG 4.2Å; L220-P252 HydrophobicContact CD1-CB 3.96Å; L220-P252 HydrophobicContact CD1-CG 3.98Å; V224-P252 HydrophobicContact CG2-CB 4.41Å
253F97.9Very high95Very high0 Ų042.2 Ų42.20%020%0.201CC..EExtended strand (participates in β ladder)trans-113.9113.2172.9-76.4-106000108.9Q56 A59 F84 H85 G86 K92 V95 V251Q56-F253 HydrophobicContact CG-CD1 4.16Å; Q56-F253 VanDerWaalsContact OE1-CA 3.28Å; A59-F253 HydrophobicContact CB-CD1 4.34Å; A59-F253 HydrophobicContact CB-CD2 4.41Å; A59-F253 HydrophobicContact CB-CE1 3.94Å; A59-F253 HydrophobicContact CB-CE2 4.01Å; A59-F253 HydrophobicContact CB-CZ 3.77Å; F84-F253 HydrophobicContact CB-CD2 4.24Å; F84-F253 HydrophobicContact CB-CE2 3.71Å; F84-F253 HydrophobicContact CD1-CE2 4.12Å; F84-F253 HydrophobicContact CD2-CE2 4.04Å; F84-F253 HydrophobicContact CD2-CZ 4.12Å; F84-F253 HydrophobicContact CE2-CZ 4.49Å; F84-F253 AromaticContact CG-CE2 3.7Å; F84-F253 HydrophobicContact CG-CE2 3.7Å; F84-F253 HydrophobicContact CG-CZ 4.25Å; H85-F253 PolarHBondContact O-N 3.49Å; G86-F253 WeakPolarHBondContact CA-O 3.26Å; K92-F253 HydrophobicContact CB-CE1 4.4Å; K92-F253 HydrophobicContact CB-CE2 4.48Å; K92-F253 HydrophobicContact CB-CZ 4.34Å; K92-F253 HydrophobicContact CD-CD2 4.17Å; K92-F253 HydrophobicContact CD-CG 4.34Å; K92-F253 HydrophobicContact CG-CB 4.14Å; K92-F253 HydrophobicContact CG-CD1 3.77Å; K92-F253 HydrophobicContact CG-CD2 3.55Å; K92-F253 HydrophobicContact CG-CE1 3.99Å; K92-F253 HydrophobicContact CG-CE2 3.79Å; K92-F253 HydrophobicContact CG-CG 3.53Å; K92-F253 HydrophobicContact CG-CZ 4Å; V95-F253 HydrophobicContact CB-CE1 4.43Å; V95-F253 HydrophobicContact CB-CZ 4.1Å; V95-F253 HydrophobicContact CG1-CZ 4.42Å; V95-F253 HydrophobicContact CG2-CE1 3.79Å; V95-F253 HydrophobicContact CG2-CZ 3.86Å; V251-F253 HydrophobicContact CB-CE2 4.36Å; V251-F253 HydrophobicContact CG1-CD2 4.43Å; V251-F253 HydrophobicContact CG1-CE2 3.83Å; V251-F253 WeakPolarHBondContact O-CD2 3.4Å
254L97.6Very high95.6Very high0 Ų036.7 Ų36.70%018%0.177CC..PPolyproline II helixtrans-79.4148.5-172.9-56.7-172.5000110.8Q56 L58 T90 I198 V202 R212 L220Q56-L254 PolarHBondContact NE2-O 3.33Å; L58-L254 HydrophobicContact CD1-CD1 4.21Å; L58-L254 HydrophobicContact CD1-CD2 4.25Å; L58-L254 HydrophobicContact CD1-CG 4.42Å; T90-L254 WeakPolarHBondContact CG2-O 3.5Å; I198-L254 HydrophobicContact CG2-CD2 3.78Å; V202-L254 HydrophobicContact CG2-CD2 3.79Å; R212-L254 HydrophobicContact CG-CD1 4.25Å; R212-L254 PolarHBondContact NH2-O 3.45Å; L220-L254 HydrophobicContact CD1-CD2 3.47Å; L220-L254 VanDerWaalsContact CD1-CD2 3.47Å
255P97.1Very high96.1Very high2 Ų232 Ų321%0.01316%0.155CC..PPolyproline II helixtrans-65145178.731.6-38000111V202 R212 F298V202-P255 HydrophobicContact CB-CG 4.25Å; V202-P255 HydrophobicContact CG1-CG 4.03Å; R212-P255 PolarHBondContact NH1-O 3.16Å; R212-P255 PolarHBondContact NH2-O 3.04Å; P255-F298 HydrophobicContact CB-CB 3.98Å; P255-F298 HydrophobicContact CB-CD1 4.37Å; P255-F298 HydrophobicContact CB-CG 4.11Å; P255-F298 HydrophobicContact CG-CB 4.41Å; P255-F298 HydrophobicContact CG-CD1 4.09Å; P255-F298 HydrophobicContact CG-CD2 4.29Å; P255-F298 HydrophobicContact CG-CG 3.99Å
256L97.5Very high96.5Very high4 Ų430.5 Ų30.52%0.02114%0.144CC..PPolyproline II helixtrans-87.9138.7-170.9-63.6-175.2000112.1F54 Q56 T90 H260 V261 F298 S299 C303F54-L256 WeakPolarHBondContact O-CD2 3.2Å; Q56-L256 VanDerWaalsContact NE2-CD2 3.3Å; T90-L256 HydrophobicContact CG2-CG 4.42Å; L256-H260 HydrophobicContact CB-CB 4.06Å; L256-H260 HydrophobicContact CD2-CB 4.01Å; L256-H260 HydrophobicContact CG-CB 4.45Å; L256-V261 HydrophobicContact CB-CG2 4.36Å; L256-F298 CarbonylContact O-C 3.49Å; L256-F298 VanDerWaalsContact O-CA 3.31Å; L256-F298 WeakPolarHBondContact O-CA 3.46Å; L256-S299 PolarHBondContact O-N 2.77Å; L256-C303 HydrophobicContact CD1-CB 4.39Å; L256-C303 WeakPolarHBondContact CD1-SG 3.41Å
257T96.1Very high96.8Very high30 Ų3031.2 Ų31.218%0.18415%0.152CC..PPolyproline II helixtrans-79.6168.5170.9600000110.6T259 H260 V261 Y297 F298T257-T259 VanDerWaalsContact C-N 3.28Å; T257-T259 PolarHBondContact O-N 2.71Å; T257-T259 PolarHBondContact OG1-OG1 3.16Å; T257-H260 PolarHBondContact N-ND1 3.31Å; T257-H260 PolarHBondContact O-N 2.91Å; T257-H260 VanDerWaalsContact O-N 3.14Å; T257-H260 PolarHBondContact OG1-CE1 3.2Å; T257-H260 PolarHBondContact OG1-N 3.22Å; T257-H260 PolarHBondContact OG1-ND1 2.91Å; T257-H260 VanDerWaalsContact OG1-ND1 3.08Å; T257-V261 PolarHBondContact O-N 3.02Å; T257-V261 VanDerWaalsContact O-N 3.11Å; T257-Y297 WeakPolarHBondContact CA-O 3.16Å; T257-F298 HydrophobicContact CG2-CD1 4.24Å; T257-F298 HydrophobicContact CG2-CE1 4.2Å
258R96Very high96.9Very high97 Ų9732.7 Ų32.737%0.36616%0.158SC..Hα-helixtrans-52.6-45.3171.6176.1168.7171.1171.40.7112.6H260 V261 E262 Y290R258-H260 VanDerWaalsContact C-N 3.29Å; R258-H260 PolarHBondContact O-N 2.97Å; R258-V261 WeakPolarHBondContact O-CA 3.17Å; R258-V261 WeakPolarHBondContact O-CB 3.18Å; R258-V261 PolarHBondContact O-N 3.15Å; R258-E262 HydrophobicContact CG-CG 4.31Å; R258-E262 WeakPolarHBondContact CG-OE1 3.38Å; R258-E262 IonicContact CZ-OE1 3.99Å; R258-E262 IonicContact NE-OE1 3.95Å; R258-E262 PolarHBondContact NE-OE1 3.44Å; R258-E262 IonicContact NH2-OE1 3.72Å; R258-E262 PolarHBondContact NH2-OE1 3.48Å; R258-E262 WeakPolarHBondContact O-CG 3.27Å; R258-E262 PolarHBondContact O-N 3.09Å; R258-Y290 WeakPolarHBondContact CA-OH 3.46Å; R258-Y290 HydrophobicContact CB-CE1 3.77Å; R258-Y290 WeakPolarHBondContact CB-OH 3.25Å; R258-Y290 WeakPolarHBondContact CG-OH 3.31Å
259T95.6Very high96.9Very high84 Ų8430.9 Ų30.952%0.51515%0.147SC..Hα-helixtrans-60.5-36.6179.253.70000112.6T257 R263T257-T259 VanDerWaalsContact C-N 3.28Å; T257-T259 PolarHBondContact O-N 2.71Å; T257-T259 PolarHBondContact OG1-OG1 3.16Å; T259-R263 WeakPolarHBondContact O-CG 3.29Å; T259-R263 PolarHBondContact O-N 3.14Å; T259-R263 VanDerWaalsContact O-N 3.1Å
260H97.5Very high97Very high22 Ų2230.5 Ų30.510%0.10215%0.152CC..Hα-helixtrans-68.4-38.8173.8-60.8147.5000112.2F54 G55 L256 T257 R258 R263 C264F54-H260 HydrophobicContact CB-CB 4.45Å; G55-H260 WeakPolarHBondContact CA-CE1 3.28Å; G55-H260 WeakPolarHBondContact CA-NE2 3.24Å; L256-H260 HydrophobicContact CB-CB 4.06Å; L256-H260 HydrophobicContact CD2-CB 4.01Å; L256-H260 HydrophobicContact CG-CB 4.45Å; T257-H260 PolarHBondContact N-ND1 3.31Å; T257-H260 PolarHBondContact O-N 2.91Å; T257-H260 VanDerWaalsContact O-N 3.14Å; T257-H260 PolarHBondContact OG1-CE1 3.2Å; T257-H260 PolarHBondContact OG1-N 3.22Å; T257-H260 PolarHBondContact OG1-ND1 2.91Å; T257-H260 VanDerWaalsContact OG1-ND1 3.08Å; R258-H260 VanDerWaalsContact C-N 3.29Å; R258-H260 PolarHBondContact O-N 2.97Å; H260-R263 PolarHBondContact O-N 3.18Å; H260-C264 PolarHBondContact O-N 2.77Å; H260-C264 PolarHBondContact O-SG 3.11Å
261V97.6Very high96.9Very high0 Ų037.5 Ų37.50%019%0.185CC..Hα-helixtrans-65.7-44.4176.4177.90000110.9L256 T257 R258 R263 C264 V265 M288 V306L256-V261 HydrophobicContact CB-CG2 4.36Å; T257-V261 PolarHBondContact O-N 3.02Å; T257-V261 VanDerWaalsContact O-N 3.11Å; R258-V261 WeakPolarHBondContact O-CA 3.17Å; R258-V261 WeakPolarHBondContact O-CB 3.18Å; R258-V261 PolarHBondContact O-N 3.15Å; V261-R263 VanDerWaalsContact C-N 3.28Å; V261-R263 PolarHBondContact O-N 3Å; V261-C264 WeakPolarHBondContact O-CA 3.08Å; V261-C264 VanDerWaalsContact O-CB 3.26Å; V261-C264 WeakPolarHBondContact O-CB 3.32Å; V261-C264 PolarHBondContact O-N 3.26Å; V261-V265 HydrophobicContact CG1-CG2 4.44Å; V261-V265 VanDerWaalsContact O-CG2 3.32Å; V261-V265 WeakPolarHBondContact O-CG2 3.41Å; V261-V265 PolarHBondContact O-N 3.02Å; V261-M288 HydrophobicContact CG1-CE 4.27Å; V261-M288 HydrophobicContact CG1-CG 4.05Å; V261-V306 HydrophobicContact CG1-CG2 3.78Å
262E97.7Very high96.7Very high44 Ų4442.6 Ų42.621%0.20620%0.204CC..Hα-helixtrans-58.2-40.1175.1-73.6169.9171.400111.6R258 C264 V265 H266 V281R258-E262 HydrophobicContact CG-CG 4.31Å; R258-E262 WeakPolarHBondContact CG-OE1 3.38Å; R258-E262 IonicContact CZ-OE1 3.99Å; R258-E262 IonicContact NE-OE1 3.95Å; R258-E262 PolarHBondContact NE-OE1 3.44Å; R258-E262 IonicContact NH2-OE1 3.72Å; R258-E262 PolarHBondContact NH2-OE1 3.48Å; R258-E262 WeakPolarHBondContact O-CG 3.27Å; R258-E262 PolarHBondContact O-N 3.09Å; E262-C264 PolarHBondContact O-N 3.25Å; E262-V265 WeakPolarHBondContact O-CB 3.46Å; E262-V265 PolarHBondContact O-N 2.87Å; E262-H266 WeakPolarHBondContact O-CB 3.5Å; E262-H266 PolarHBondContact O-N 3.21Å; E262-V281 HydrophobicContact CB-CG1 3.63Å; E262-V281 HydrophobicContact CG-CG1 3.91Å
263R97.6Very high96.6Very high124 Ų12445.7 Ų45.747%0.46824%0.237SC..Hα-helixtrans-62.6-40171.9-71.4176.468.9178.44.3112.8F54 T259 H260 V261 V265 A267F54-R263 HydrophobicContact CD1-CB 4.26Å; F54-R263 VanDerWaalsContact CD1-CZ 3.42Å; F54-R263 VanDerWaalsContact CD1-NH2 3.28Å; F54-R263 HydrophobicContact CD2-CB 3.75Å; F54-R263 HydrophobicContact CE1-CB 4.43Å; F54-R263 HydrophobicContact CE2-CB 3.98Å; F54-R263 WeakPolarHBondContact CE2-O 3.29Å; F54-R263 HydrophobicContact CG-CB 3.9Å; F54-R263 HydrophobicContact CZ-CB 4.31Å; T259-R263 WeakPolarHBondContact O-CG 3.29Å; T259-R263 PolarHBondContact O-N 3.14Å; T259-R263 VanDerWaalsContact O-N 3.1Å; H260-R263 PolarHBondContact O-N 3.18Å; V261-R263 VanDerWaalsContact C-N 3.28Å; V261-R263 PolarHBondContact O-N 3Å; R263-V265 VanDerWaalsContact C-N 3.33Å; R263-A267 VanDerWaalsContact O-CB 3.32Å; R263-A267 WeakPolarHBondContact O-CB 3.44Å; R263-A267 PolarHBondContact O-N 2.9Å
264C97.4Very high96.5Very high18 Ų1847.9 Ų47.912%0.12225%0.253CS..Hα-helixtrans-60.9-42.5172.1-69.40000111.8H260 V261 E262 A267 Q268 C303 V306H260-C264 PolarHBondContact O-N 2.77Å; H260-C264 PolarHBondContact O-SG 3.11Å; V261-C264 WeakPolarHBondContact O-CA 3.08Å; V261-C264 VanDerWaalsContact O-CB 3.26Å; V261-C264 WeakPolarHBondContact O-CB 3.32Å; V261-C264 PolarHBondContact O-N 3.26Å; E262-C264 PolarHBondContact O-N 3.25Å; C264-A267 PolarHBondContact O-N 3.23Å; C264-Q268 WeakPolarHBondContact O-CG 3.44Å; C264-Q268 PolarHBondContact O-N 3.39Å; C264-C303 HydrophobicContact CB-CB 3.65Å; C264-C303 WeakPolarHBondContact CB-SG 3.1Å; C264-C303 WeakPolarHBondContact SG-CB 3.36Å; C264-C303 CovalentContact SG-SG 2.03Å; C264-C303 PolarHBondContact SG-SG 2.94Å; C264-V306 HydrophobicContact CB-CG2 4.5Å
265V97.9Very high96.3Very high0 Ų050.1 Ų50.10%027%0.268CS..Hα-helixtrans-62.2-52.1178.8179.50000110.1V261 E262 R263 A267 Q268 L269 V281 V284 V306 I310V261-V265 HydrophobicContact CG1-CG2 4.44Å; V261-V265 VanDerWaalsContact O-CG2 3.32Å; V261-V265 WeakPolarHBondContact O-CG2 3.41Å; V261-V265 PolarHBondContact O-N 3.02Å; E262-V265 WeakPolarHBondContact O-CB 3.46Å; E262-V265 PolarHBondContact O-N 2.87Å; R263-V265 VanDerWaalsContact C-N 3.33Å; V265-A267 VanDerWaalsContact C-N 3.34Å; V265-A267 PolarHBondContact O-N 3.01Å; V265-Q268 PolarHBondContact O-N 2.91Å; V265-L269 HydrophobicContact CG1-CD1 3.81Å; V265-L269 HydrophobicContact CG1-CG 4.35Å; V265-L269 WeakPolarHBondContact O-CB 3.49Å; V265-L269 WeakPolarHBondContact O-CG 3.4Å; V265-L269 PolarHBondContact O-N 3.39Å; V265-V281 HydrophobicContact CB-CG2 4.45Å; V265-V281 HydrophobicContact CG1-CB 4.36Å; V265-V281 HydrophobicContact CG1-CG2 4Å; V265-V284 HydrophobicContact CG1-CB 4.18Å; V265-V284 HydrophobicContact CG1-CG2 4.29Å; V265-V284 HydrophobicContact CG2-CB 3.82Å; V265-V284 HydrophobicContact CG2-CG1 3.45Å; V265-V284 VanDerWaalsContact CG2-CG1 3.45Å; V265-V306 HydrophobicContact CB-CG1 4.26Å; V265-V306 HydrophobicContact CG2-CG1 3.61Å; V265-V306 HydrophobicContact CG2-CG2 4.19Å; V265-I310 HydrophobicContact CG1-CD1 4.01Å; V265-I310 HydrophobicContact CG1-CG1 3.85Å
266H97.8Very high96.2Very high79 Ų7957.3 Ų57.337%0.36631%0.306SS..Hα-helixtrans-57.3-45.7178.1179.3-85.6000111.7E262 Q268 L269 C270 V281E262-H266 WeakPolarHBondContact O-CB 3.5Å; E262-H266 PolarHBondContact O-N 3.21Å; H266-Q268 PolarHBondContact O-N 3.38Å; H266-L269 PolarHBondContact O-N 3.44Å; H266-C270 VanDerWaalsContact CE1-SG 3.58Å; H266-C270 WeakPolarHBondContact O-CB 3.29Å; H266-C270 PolarHBondContact O-N 3.1Å; H266-V281 HydrophobicContact CB-CG2 4.06Å
267A96.6Very high96.1Very high26 Ų2661 Ų6122%0.21532%0.319CS..Hα-helixtrans-60.2-43.2177.600000112.6F54 R263 C264 V265 C270 Q271F54-A267 HydrophobicContact CE2-CB 3.93Å; F54-A267 HydrophobicContact CZ-CB 4Å; R263-A267 VanDerWaalsContact O-CB 3.32Å; R263-A267 WeakPolarHBondContact O-CB 3.44Å; R263-A267 PolarHBondContact O-N 2.9Å; C264-A267 PolarHBondContact O-N 3.23Å; V265-A267 VanDerWaalsContact C-N 3.34Å; V265-A267 PolarHBondContact O-N 3.01Å; A267-C270 PolarHBondContact O-N 3.11Å; A267-Q271 WeakPolarHBondContact O-CG 3.47Å; A267-Q271 PolarHBondContact O-N 2.87Å; A267-Q271 VanDerWaalsContact O-N 3.1Å
268Q96.1Very high96.1Very high48 Ų4864.7 Ų64.722%0.22434%0.338CS..Hα-helixtrans-70.1-37.3177.5-72.6-171.919.300112.9C264 V265 H266 C270 Q271 R272 A307 I310C264-Q268 WeakPolarHBondContact O-CG 3.44Å; C264-Q268 PolarHBondContact O-N 3.39Å; V265-Q268 PolarHBondContact O-N 2.91Å; H266-Q268 PolarHBondContact O-N 3.38Å; Q268-C270 VanDerWaalsContact C-N 3.32Å; Q268-Q271 PolarHBondContact O-N 2.7Å; Q268-R272 WeakPolarHBondContact O-CG 3.35Å; Q268-R272 PolarHBondContact O-N 3.25Å; Q268-A307 VanDerWaalsContact OE1-CA 3.25Å; Q268-I310 HydrophobicContact CB-CD1 3.62Å
269L96.9Very high96.1Very high0 Ų064.2 Ų64.20%034%0.343CS..Hα-helixtrans-61.2-43173.3-78169000111.2V265 H266 Q271 R272 G273 S274 R277 V280 V281 I310 L314V265-L269 HydrophobicContact CG1-CD1 3.81Å; V265-L269 HydrophobicContact CG1-CG 4.35Å; V265-L269 WeakPolarHBondContact O-CB 3.49Å; V265-L269 WeakPolarHBondContact O-CG 3.4Å; V265-L269 PolarHBondContact O-N 3.39Å; H266-L269 PolarHBondContact O-N 3.44Å; L269-Q271 PolarHBondContact O-N 3.36Å; L269-R272 CarbonylContact O-C 3.59Å; L269-R272 WeakPolarHBondContact O-CA 3.41Å; L269-R272 PolarHBondContact O-N 2.99Å; L269-G273 PolarHBondContact O-N 3.37Å; L269-S274 PolarHBondContact O-N 2.98Å; L269-R277 HydrophobicContact CD1-CB 4.11Å; L269-R277 HydrophobicContact CD2-CB 4.43Å; L269-V280 HydrophobicContact CD1-CB 4.11Å; L269-V280 HydrophobicContact CD1-CG1 4.16Å; L269-V280 HydrophobicContact CD2-CG1 4.3Å; L269-V281 HydrophobicContact CD1-CG2 3.74Å; L269-I310 HydrophobicContact CD2-CG2 3.8Å; L269-I310 HydrophobicContact CG-CD1 4.42Å; L269-I310 HydrophobicContact CG-CG2 4.47Å; L269-L314 HydrophobicContact CD2-CD1 4.25Å; L269-L314 HydrophobicContact CD2-CD2 4.21Å
270C96Very high96.2Very high42 Ų4260.3 Ų60.328%0.28432%0.319SS..Hα-helixtrans-61.7-40.3174.8-82.80000113.4H266 A267 Q268 R272 G273 C275H266-C270 VanDerWaalsContact CE1-SG 3.58Å; H266-C270 WeakPolarHBondContact O-CB 3.29Å; H266-C270 PolarHBondContact O-N 3.1Å; A267-C270 PolarHBondContact O-N 3.11Å; Q268-C270 VanDerWaalsContact C-N 3.32Å; C270-R272 PolarHBondContact O-N 3.02Å; C270-G273 PolarHBondContact O-N 3.28Å; C270-C275 WeakPolarHBondContact CA-SG 3.48Å; C270-C275 HydrophobicContact CB-CB 4.29Å; C270-C275 WeakPolarHBondContact CB-SG 3.32Å; C270-C275 VanDerWaalsContact SG-CA 3.52Å; C270-C275 WeakPolarHBondContact SG-CB 3.35Å; C270-C275 CovalentContact SG-SG 2.04Å; C270-C275 PolarHBondContact SG-SG 2.87Å
271Q93.8Very high96.2Very high161 Ų16160 Ų6075%0.75232%0.319SS*.Hα-helixtrans-62.1-26.9173.8-71.2172.25.900112.7A267 Q268 L269A267-Q271 WeakPolarHBondContact O-CG 3.47Å; A267-Q271 PolarHBondContact O-N 2.87Å; A267-Q271 VanDerWaalsContact O-N 3.1Å; Q268-Q271 PolarHBondContact O-N 2.7Å; L269-Q271 PolarHBondContact O-N 3.36Å
272R93.9Very high96.2Very high107 Ų10766.4 Ų66.440%0.40435%0.348SS..THydrogen-bonded Turntrans-87.92174.7-61.9179.2-167.9-1656.8113.6Q268 L269 C270 A307 S311Q268-R272 WeakPolarHBondContact O-CG 3.35Å; Q268-R272 PolarHBondContact O-N 3.25Å; L269-R272 CarbonylContact O-C 3.59Å; L269-R272 WeakPolarHBondContact O-CA 3.41Å; L269-R272 PolarHBondContact O-N 2.99Å; C270-R272 PolarHBondContact O-N 3.02Å; R272-A307 PolarHBondContact NH2-O 3.24Å; R272-S311 PolarHBondContact NH1-OG 2.87Å; R272-S311 VanDerWaalsContact NH1-OG 3.13Å
273G94.9Very high96.1Very high72 Ų7266 Ų6674%0.74235%0.352SS*.THydrogen-bonded Turntrans80.610.6-177.400000115.1L269 C270L269-G273 PolarHBondContact O-N 3.37Å; C270-G273 PolarHBondContact O-N 3.28Å
274S94.6Very high96.1Very high46 Ų4660 Ų6032%0.32233%0.33SS..  trans-116.444.1-174-61.10000112.8L269 N276 R277L269-S274 PolarHBondContact O-N 2.98Å; S274-N276 PolarHBondContact O-N 3.35Å; S274-N276 VanDerWaalsContact O-N 3.15Å; S274-R277 PolarHBondContact O-N 3.05Å
275C94.2Very high96Very high47 Ų4759.2 Ų59.232%0.31832%0.324SS..THydrogen-bonded Turntrans-55.1-32.5-175.9-72.60000114.7C270 R277C270-C275 WeakPolarHBondContact CA-SG 3.48Å; C270-C275 HydrophobicContact CB-CB 4.29Å; C270-C275 WeakPolarHBondContact CB-SG 3.32Å; C270-C275 VanDerWaalsContact SG-CA 3.52Å; C270-C275 WeakPolarHBondContact SG-CB 3.35Å; C270-C275 CovalentContact SG-SG 2.04Å; C270-C275 PolarHBondContact SG-SG 2.87Å; C275-R277 PolarHBondContact O-N 3.11Å
276N94.1Very high95.9Very high152 Ų15261.2 Ų61.281%0.81335%0.345SS*.THydrogen-bonded Turntrans-86.119.4-169.5-56.4-21.3000113.9S274 D278S274-N276 PolarHBondContact O-N 3.35Å; S274-N276 VanDerWaalsContact O-N 3.15Å; N276-D278 PolarHBondContact O-N 3.48Å
277R95.4Very high95.7Very high81 Ų8161 Ų6131%0.30635%0.347SS..  trans-96.660.5-177.9-70.7-63.6-58.4-84.52.5111.4L269 S274 C275 D279 V280 V281 L314L269-R277 HydrophobicContact CD1-CB 4.11Å; L269-R277 HydrophobicContact CD2-CB 4.43Å; S274-R277 PolarHBondContact O-N 3.05Å; C275-R277 PolarHBondContact O-N 3.11Å; R277-D279 VanDerWaalsContact C-OD1 3.24Å; R277-D279 VanDerWaalsContact CA-OD1 3.25Å; R277-D279 WeakPolarHBondContact CA-OD1 3.46Å; R277-D279 WeakPolarHBondContact CD-OD1 3.46Å; R277-D279 IonicContact CZ-OD1 2.82Å; R277-D279 IonicContact CZ-OD2 3.91Å; R277-D279 IonicContact NE-OD1 3.47Å; R277-D279 PolarHBondContact NE-OD1 3Å; R277-D279 IonicContact NE-OD2 3.29Å; R277-D279 PolarHBondContact NE-OD2 2.91Å; R277-D279 VanDerWaalsContact NE-OD2 3.11Å; R277-D279 IonicContact NH2-OD1 3.12Å; R277-D279 IonicContact NH2-OD2 2.79Å; R277-D279 PolarHBondContact NH2-OD2 2.98Å; R277-D279 PolarHBondContact O-N 2.91Å; R277-V280 HydrophobicContact CB-CB 4.1Å; R277-V280 HydrophobicContact CB-CG2 3.91Å; R277-V280 HydrophobicContact CG-CG2 4.47Å; R277-V280 WeakPolarHBondContact O-CB 3.25Å; R277-V280 PolarHBondContact O-N 3.23Å; R277-V281 PolarHBondContact O-N 3.07Å; R277-V281 VanDerWaalsContact O-N 3.13Å; R277-L314 VanDerWaalsContact NH1-CD2 3.29Å
278D96.4Very high95.6Very high109 Ų10960.2 Ų60.258%0.58334%0.339SS*.Hα-helixtrans-60.8-28.6177.4-66.4-35000112N276 V280 V281 E282N276-D278 PolarHBondContact O-N 3.48Å; D278-V280 VanDerWaalsContact C-N 3.32Å; D278-V280 PolarHBondContact O-N 3.49Å; D278-V281 WeakPolarHBondContact O-CB 3.28Å; D278-V281 PolarHBondContact O-N 3.03Å; D278-E282 PolarHBondContact O-N 2.92Å
279D96.7Very high95.6Very high86 Ų8662.5 Ų62.546%0.4636%0.356SS..Hα-helixtrans-58.9-41171.664.2-51.7000112.3R277 A283R277-D279 VanDerWaalsContact C-OD1 3.24Å; R277-D279 VanDerWaalsContact CA-OD1 3.25Å; R277-D279 WeakPolarHBondContact CA-OD1 3.46Å; R277-D279 WeakPolarHBondContact CD-OD1 3.46Å; R277-D279 IonicContact CZ-OD1 2.82Å; R277-D279 IonicContact CZ-OD2 3.91Å; R277-D279 IonicContact NE-OD1 3.47Å; R277-D279 PolarHBondContact NE-OD1 3Å; R277-D279 IonicContact NE-OD2 3.29Å; R277-D279 PolarHBondContact NE-OD2 2.91Å; R277-D279 VanDerWaalsContact NE-OD2 3.11Å; R277-D279 IonicContact NH2-OD1 3.12Å; R277-D279 IonicContact NH2-OD2 2.79Å; R277-D279 PolarHBondContact NH2-OD2 2.98Å; R277-D279 PolarHBondContact O-N 2.91Å; D279-A283 VanDerWaalsContact O-CB 3.27Å; D279-A283 WeakPolarHBondContact O-CB 3.42Å; D279-A283 PolarHBondContact O-N 3.06Å
280V96.9Very high95.5Very high2 Ų263.3 Ų63.31%0.01236%0.359CS..Hα-helixtrans-73.9-35.9176.61800000110.7L269 R277 D278 A283 V284 F313 L314L269-V280 HydrophobicContact CD1-CB 4.11Å; L269-V280 HydrophobicContact CD1-CG1 4.16Å; L269-V280 HydrophobicContact CD2-CG1 4.3Å; R277-V280 HydrophobicContact CB-CB 4.1Å; R277-V280 HydrophobicContact CB-CG2 3.91Å; R277-V280 HydrophobicContact CG-CG2 4.47Å; R277-V280 WeakPolarHBondContact O-CB 3.25Å; R277-V280 PolarHBondContact O-N 3.23Å; D278-V280 VanDerWaalsContact C-N 3.32Å; D278-V280 PolarHBondContact O-N 3.49Å; V280-A283 PolarHBondContact O-N 3.41Å; V280-V284 HydrophobicContact CG1-CG2 3.94Å; V280-V284 WeakPolarHBondContact O-CB 3.48Å; V280-V284 WeakPolarHBondContact O-CG2 3.05Å; V280-V284 PolarHBondContact O-N 3.06Å; V280-F313 HydrophobicContact CG1-CB 4.13Å; V280-L314 HydrophobicContact CG2-CD2 3.98Å
281V97.8Very high95.3Very high16 Ų1664.8 Ų64.810%0.09736%0.364CS..Hα-helixtrans-59.1-49.8175.1177.50000110.2E262 V265 H266 L269 R277 D278 G285E262-V281 HydrophobicContact CB-CG1 3.63Å; E262-V281 HydrophobicContact CG-CG1 3.91Å; V265-V281 HydrophobicContact CB-CG2 4.45Å; V265-V281 HydrophobicContact CG1-CB 4.36Å; V265-V281 HydrophobicContact CG1-CG2 4Å; H266-V281 HydrophobicContact CB-CG2 4.06Å; L269-V281 HydrophobicContact CD1-CG2 3.74Å; R277-V281 PolarHBondContact O-N 3.07Å; R277-V281 VanDerWaalsContact O-N 3.13Å; D278-V281 WeakPolarHBondContact O-CB 3.28Å; D278-V281 PolarHBondContact O-N 3.03Å; V281-G285 PolarHBondContact O-N 2.93Å
282E97.1Very high95.2Very high134 Ų13458.8 Ų58.863%0.62634%0.339SS*.Hα-helixtrans-65.5-45.2178.9-173.5175.8-17200112D278 G285 G286D278-E282 PolarHBondContact O-N 2.92Å; E282-G285 PolarHBondContact O-N 3.47Å; E282-G286 PolarHBondContact O-N 3.26Å
283A96.9Very high94.6Very high35 Ų3557 Ų5729%0.28935%0.348SS..Hα-helixtrans-61.9-48.1179.800000112.1D279 V280 G286 D287 F313D279-A283 VanDerWaalsContact O-CB 3.27Å; D279-A283 WeakPolarHBondContact O-CB 3.42Å; D279-A283 PolarHBondContact O-N 3.06Å; V280-A283 PolarHBondContact O-N 3.41Å; A283-G286 PolarHBondContact O-N 2.71Å; A283-D287 VanDerWaalsContact O-CB 3.27Å; A283-D287 WeakPolarHBondContact O-CB 3.5Å; A283-D287 PolarHBondContact O-N 3.46Å; A283-F313 HydrophobicContact CB-CD1 3.83Å; A283-F313 HydrophobicContact CB-CD2 4.47Å; A283-F313 HydrophobicContact CB-CE1 3.97Å; A283-F313 HydrophobicContact CB-CG 4.1Å; A283-F313 HydrophobicContact CB-CZ 4.37Å
284V96.8Very high93.9Very high0 Ų061.9 Ų61.90%035%0.351CS..Hα-helixtrans-66-43.9177.4177.10000110.5V265 V280 G286 D287 M288 K309 I310 F313V265-V284 HydrophobicContact CG1-CB 4.18Å; V265-V284 HydrophobicContact CG1-CG2 4.29Å; V265-V284 HydrophobicContact CG2-CB 3.82Å; V265-V284 HydrophobicContact CG2-CG1 3.45Å; V265-V284 VanDerWaalsContact CG2-CG1 3.45Å; V280-V284 HydrophobicContact CG1-CG2 3.94Å; V280-V284 WeakPolarHBondContact O-CB 3.48Å; V280-V284 WeakPolarHBondContact O-CG2 3.05Å; V280-V284 PolarHBondContact O-N 3.06Å; V284-G286 VanDerWaalsContact C-N 3.3Å; V284-G286 PolarHBondContact O-N 3.42Å; V284-D287 PolarHBondContact O-N 3.33Å; V284-M288 VanDerWaalsContact O-CG 3.27Å; V284-M288 WeakPolarHBondContact O-CG 3.33Å; V284-M288 PolarHBondContact O-N 3.44Å; V284-K309 HydrophobicContact CB-CB 4.47Å; V284-K309 HydrophobicContact CG1-CB 3.72Å; V284-K309 HydrophobicContact CG1-CD 4.18Å; V284-K309 HydrophobicContact CG2-CB 4.07Å; V284-I310 HydrophobicContact CG2-CG1 4.24Å; V284-F313 HydrophobicContact CG2-CD2 3.59Å; V284-F313 HydrophobicContact CG2-CE2 4.23Å; V284-F313 HydrophobicContact CG2-CG 4.4Å
285G95.8Very high93.1Very high0 Ų062 Ų620%036%0.36CS..Hα-helixtrans-59.2-39.8178.100000112.8V281 E282 Y290V281-G285 PolarHBondContact O-N 2.93Å; E282-G285 PolarHBondContact O-N 3.47Å; G285-Y290 WeakPolarHBondContact O-CE2 3.48Å; G285-Y290 PolarHBondContact O-OH 3.07Å
286G94.3Very high92.7Very high43 Ų4365.4 Ų65.444%0.44337%0.371SS..Hα-helixtrans-73.5-32.4176.900000114.7E282 A283 V284 M288E282-G286 PolarHBondContact O-N 3.26Å; A283-G286 PolarHBondContact O-N 2.71Å; V284-G286 VanDerWaalsContact C-N 3.3Å; V284-G286 PolarHBondContact O-N 3.42Å; G286-M288 VanDerWaalsContact C-N 3.27Å; G286-M288 PolarHBondContact O-N 3.26Å
287D94.9Very high92.5Very high73 Ų7361.5 Ų61.539%0.3935%0.345SS..THydrogen-bonded Turntrans-820.1-177.1-17453.7000113.7A283 V284 K309 F313A283-D287 VanDerWaalsContact O-CB 3.27Å; A283-D287 WeakPolarHBondContact O-CB 3.5Å; A283-D287 PolarHBondContact O-N 3.46Å; V284-D287 PolarHBondContact O-N 3.33Å; D287-K309 VanDerWaalsContact CG-NZ 3.33Å; D287-K309 PolarHBondContact O-NZ 3.48Å; D287-K309 IonicContact OD1-NZ 2.57Å; D287-K309 IonicContact OD2-NZ 3.34Å; D287-K309 PolarHBondContact OD2-NZ 2.97Å; D287-F313 HydrophobicContact CB-CE2 3.9Å; D287-F313 HydrophobicContact CB-CZ 3.79Å
288M94.6Very high92.5Very high11 Ų1158 Ų585%0.05433%0.332CS..SBendtrans-79.7150.8176.7-67.7-72.4-72.600111.8V261 V284 G286 Y290 S299 T301 G302 T305 K309V261-M288 HydrophobicContact CG1-CE 4.27Å; V261-M288 HydrophobicContact CG1-CG 4.05Å; V284-M288 VanDerWaalsContact O-CG 3.27Å; V284-M288 WeakPolarHBondContact O-CG 3.33Å; V284-M288 PolarHBondContact O-N 3.44Å; G286-M288 VanDerWaalsContact C-N 3.27Å; G286-M288 PolarHBondContact O-N 3.26Å; M288-Y290 HydrophobicContact CB-CD2 4.43Å; M288-Y290 HydrophobicContact CB-CE2 3.64Å; M288-Y290 WeakPolarHBondContact O-CD2 3.27Å; M288-Y290 WeakPolarHBondContact O-CE2 3.26Å; M288-S299 VanDerWaalsContact CE-OG 3.29Å; M288-S299 WeakPolarHBondContact CE-OG 3.3Å; M288-T301 VanDerWaalsContact CE-OG1 3.25Å; M288-T301 WeakPolarHBondContact CE-OG1 3.35Å; M288-G302 WeakPolarHBondContact CE-O 3.27Å; M288-T305 WeakPolarHBondContact CE-OG1 3.24Å; M288-K309 HydrophobicContact CG-CD 4.3Å; M288-K309 HydrophobicContact SD-CD 3.45Å; M288-K309 WeakPolarHBondContact SD-CD 3.36Å; M288-K309 WeakPolarHBondContact SD-CE 3.5Å
289T94.8Very high92.5Very high95 Ų9553.2 Ų53.258%0.58331%0.307SS*.  trans-84.7131.4172.2-48.30000110.2S299 T300T289-S299 WeakPolarHBondContact O-CA 3.23Å; T289-T300 HydrophobicContact CG2-CG2 4.08Å; T289-T300 PolarHBondContact O-N 2.84Å; T289-T300 PolarHBondContact O-OG1 3.46Å
290Y95.6Very high92.4Very high17 Ų1752.4 Ų52.47%0.06731%0.305CS..EExtended strand (participates in β ladder)trans-121146.2-179.7-62.4-89.2000112R258 G285 M288 H296 F298R258-Y290 WeakPolarHBondContact CA-OH 3.46Å; R258-Y290 HydrophobicContact CB-CE1 3.77Å; R258-Y290 WeakPolarHBondContact CB-OH 3.25Å; R258-Y290 WeakPolarHBondContact CG-OH 3.31Å; G285-Y290 WeakPolarHBondContact O-CE2 3.48Å; G285-Y290 PolarHBondContact O-OH 3.07Å; M288-Y290 HydrophobicContact CB-CD2 4.43Å; M288-Y290 HydrophobicContact CB-CE2 3.64Å; M288-Y290 WeakPolarHBondContact O-CD2 3.27Å; M288-Y290 WeakPolarHBondContact O-CE2 3.26Å; Y290-H296 HydrophobicContact CD2-CB 4.28Å; Y290-H296 HydrophobicContact CG-CB 4.06Å; Y290-F298 CarbonylContact C-O 3.49Å; Y290-F298 WeakPolarHBondContact CA-O 3.3Å
291D92.4Very high92.3Very high73 Ų7354.4 Ų54.439%0.3932%0.317SS..EExtended strand (participates in β ladder)trans-125.9141.5176.3-171.570.1000110.7H199 F298 T300H199-D291 IonicContact CE1-OD2 2.72Å; H199-D291 PolarHBondContact CE1-OD2 3.07Å; H199-D291 IonicContact NE2-OD2 3.86Å; D291-F298 PolarHBondContact N-O 2.93Å; D291-F298 PolarHBondContact O-N 3.39Å; D291-T300 HydrophobicContact CB-CG2 3.97Å
292P90.4Very high92.2Very high35 Ų3553.7 Ų53.723%0.22731%0.313CS..SBendcis-57.7153.3-16.425.3-33.8000112.3L203 E294 H296 Y297L203-P292 HydrophobicContact CD1-CG 4.03Å; P292-E294 PolarHBondContact O-N 3.09Å; P292-H296 PolarHBondContact O-N 3.28Å; P292-Y297 HydrophobicContact CG-CD2 3.77Å; P292-Y297 HydrophobicContact CG-CE2 4.17Å
293A82.4Confident92.2Very high71 Ų7148.3 Ų48.359%0.58729%0.29SS*.THydrogen-bonded Turntrans-58.8-37.417900000111.4G295 H296A293-G295 PolarHBondContact O-N 3.28Å; A293-H296 PolarHBondContact O-CE1 2.85Å; A293-H296 VanDerWaalsContact O-CE1 3.29Å; A293-H296 PolarHBondContact O-ND1 3.19Å
294E79.1Confident92.2Very high174 Ų17453.5 Ų53.581%0.81331%0.306SS*.THydrogen-bonded Turntrans-75.2117.1169.1-64.9-179-178.300109.8P292P292-E294 PolarHBondContact O-N 3.09Å
295G78.4Confident92.1Very high48 Ų4855.8 Ų55.850%0.49532%0.32SS..THydrogen-bonded Turntrans92.1-14178.800000115.3A293 Y297A293-G295 PolarHBondContact O-N 3.28Å; G295-Y297 VanDerWaalsContact C-N 3.33Å; G295-Y297 WeakPolarHBondContact O-CD1 3.48Å; G295-Y297 PolarHBondContact O-N 3.49Å
296H85.7Confident92.1Very high119 Ų11955.8 Ų55.855%0.55132%0.32SS*.THydrogen-bonded Turntrans48.847174.4-61.4-64.2000114Y290 P292 A293Y290-H296 HydrophobicContact CD2-CB 4.28Å; Y290-H296 HydrophobicContact CG-CB 4.06Å; P292-H296 PolarHBondContact O-N 3.28Å; A293-H296 PolarHBondContact O-CE1 2.85Å; A293-H296 VanDerWaalsContact O-CE1 3.29Å; A293-H296 PolarHBondContact O-ND1 3.19Å
297Y89.5Confident92.1Very high70 Ų7055.6 Ų55.628%0.27531%0.314SS..  trans-73.2-48.7-169.6-61.9-47.1000113.7L203 R206 L207 T257 P292 G295L203-Y297 HydrophobicContact CD1-CD2 3.81Å; L203-Y297 HydrophobicContact CD1-CE2 4.31Å; R206-Y297 HydrophobicContact CG-CD1 4.34Å; R206-Y297 HydrophobicContact CG-CG 4.4Å; L207-Y297 HydrophobicContact CD2-CE2 4.17Å; T257-Y297 WeakPolarHBondContact CA-O 3.16Å; P292-Y297 HydrophobicContact CG-CD2 3.77Å; P292-Y297 HydrophobicContact CG-CE2 4.17Å; G295-Y297 VanDerWaalsContact C-N 3.33Å; G295-Y297 WeakPolarHBondContact O-CD1 3.48Å; G295-Y297 PolarHBondContact O-N 3.49Å
298F95.9Very high92.1Very high8 Ų855.4 Ų55.44%0.03532%0.323CS..EExtended strand (participates in β ladder)trans-129.9133.4-168.9-52.4-58.1000113.5H199 V202 L203 R206 P255 L256 T257 Y290 D291 T300H199-F298 AromaticContact NE2-CD2 3.56Å; V202-F298 HydrophobicContact CG1-CE1 3.9Å; V202-F298 HydrophobicContact CG1-CE2 4.21Å; V202-F298 HydrophobicContact CG1-CZ 3.57Å; L203-F298 HydrophobicContact CB-CE2 4.17Å; L203-F298 HydrophobicContact CD1-CE2 4.1Å; R206-F298 HydrophobicContact CB-CZ 4.29Å; R206-F298 HydrophobicContact CG-CZ 4.5Å; P255-F298 HydrophobicContact CB-CB 3.98Å; P255-F298 HydrophobicContact CB-CD1 4.37Å; P255-F298 HydrophobicContact CB-CG 4.11Å; P255-F298 HydrophobicContact CG-CB 4.41Å; P255-F298 HydrophobicContact CG-CD1 4.09Å; P255-F298 HydrophobicContact CG-CD2 4.29Å; P255-F298 HydrophobicContact CG-CG 3.99Å; L256-F298 CarbonylContact O-C 3.49Å; L256-F298 VanDerWaalsContact O-CA 3.31Å; L256-F298 WeakPolarHBondContact O-CA 3.46Å; T257-F298 HydrophobicContact CG2-CD1 4.24Å; T257-F298 HydrophobicContact CG2-CE1 4.2Å; Y290-F298 CarbonylContact C-O 3.49Å; Y290-F298 WeakPolarHBondContact CA-O 3.3Å; D291-F298 PolarHBondContact N-O 2.93Å; D291-F298 PolarHBondContact O-N 3.39Å; F298-T300 PolarHBondContact O-N 3.47Å
299S96.4Very high92.1Very high7 Ų757 Ų575%0.04933%0.33CS..EExtended strand (participates in β ladder)trans-68.4129177.9-179.30000111.3L256 M288 T289 T301 G302L256-S299 PolarHBondContact O-N 2.77Å; M288-S299 VanDerWaalsContact CE-OG 3.29Å; M288-S299 WeakPolarHBondContact CE-OG 3.3Å; T289-S299 WeakPolarHBondContact O-CA 3.23Å; S299-T301 VanDerWaalsContact C-N 3.26Å; S299-T301 PolarHBondContact O-N 3.33Å; S299-G302 PolarHBondContact OG-N 3.35Å; S299-G302 PolarHBondContact OG-O 2.96Å
300T94.3Very high92.1Very high69 Ų6952.5 Ų52.542%0.42330%0.302SS..SBendtrans-68.5-25.1179.860.10000113.1T289 D291 F298T289-T300 HydrophobicContact CG2-CG2 4.08Å; T289-T300 PolarHBondContact O-N 2.84Å; T289-T300 PolarHBondContact O-OG1 3.46Å; D291-T300 HydrophobicContact CB-CG2 3.97Å; F298-T300 PolarHBondContact O-N 3.47Å
301T95.4Very high92.1Very high44 Ų4455 Ų5527%0.2732%0.323SS..SBendtrans-114.11.6-178.256.90000113.6M288 S299 C303 K304 T305M288-T301 VanDerWaalsContact CE-OG1 3.25Å; M288-T301 WeakPolarHBondContact CE-OG1 3.35Å; S299-T301 VanDerWaalsContact C-N 3.26Å; S299-T301 PolarHBondContact O-N 3.33Å; T301-C303 PolarHBondContact O-N 3.5Å; T301-K304 VanDerWaalsContact O-CB 3.3Å; T301-K304 WeakPolarHBondContact O-CB 3.23Å; T301-K304 PolarHBondContact O-N 3.22Å; T301-K304 VanDerWaalsContact O-N 3.1Å; T301-T305 HydrophobicContact CG2-CG2 4.25Å; T301-T305 PolarHBondContact OG1-OG1 2.96Å
302G96.2Very high92.2Very high1 Ų158.8 Ų58.81%0.0134%0.336CS..THydrogen-bonded Turntrans52.1-132.1-173.800000111.1M288 S299M288-G302 WeakPolarHBondContact CE-O 3.27Å; S299-G302 PolarHBondContact OG-N 3.35Å; S299-G302 PolarHBondContact OG-O 2.96Å
303C97.4Very high92.3Very high21 Ų2160.2 Ų60.214%0.14234%0.338CS..THydrogen-bonded Turntrans-94.310.7177.8-60.50000114.2G89 L256 C264 T301 T305 V306G89-C303 PolarHBondContact O-N 3.49Å; L256-C303 HydrophobicContact CD1-CB 4.39Å; L256-C303 WeakPolarHBondContact CD1-SG 3.41Å; C264-C303 HydrophobicContact CB-CB 3.65Å; C264-C303 WeakPolarHBondContact CB-SG 3.1Å; C264-C303 WeakPolarHBondContact SG-CB 3.36Å; C264-C303 CovalentContact SG-SG 2.03Å; C264-C303 PolarHBondContact SG-SG 2.94Å; T301-C303 PolarHBondContact O-N 3.5Å; C303-T305 PolarHBondContact O-N 2.85Å; C303-V306 HydrophobicContact CB-CG2 4.15Å
304K95.5Very high92.6Very high144 Ų14462 Ų6263%0.62634%0.337SS*.SBendtrans-66.8-37-172.9-171.3168.3-176.5172.10113.3S88 T301S88-K304 VanDerWaalsContact OG-CD 3.29Å; S88-K304 WeakPolarHBondContact OG-CD 3.48Å; T301-K304 VanDerWaalsContact O-CB 3.3Å; T301-K304 WeakPolarHBondContact O-CB 3.23Å; T301-K304 PolarHBondContact O-N 3.22Å; T301-K304 VanDerWaalsContact O-N 3.1Å
305T94.9Very high93.2Very high48 Ų4856.4 Ų56.429%0.29431%0.313SS..SBendtrans-96.8-4.3-175.754.70000113.3M288 T301 C303 A307 A308 K309M288-T305 WeakPolarHBondContact CE-OG1 3.24Å; T301-T305 HydrophobicContact CG2-CG2 4.25Å; T301-T305 PolarHBondContact OG1-OG1 2.96Å; C303-T305 PolarHBondContact O-N 2.85Å; T305-A307 VanDerWaalsContact C-N 3.32Å; T305-A307 PolarHBondContact O-N 2.82Å; T305-A308 PolarHBondContact O-N 3.13Å; T305-A308 VanDerWaalsContact O-N 3.16Å; T305-K309 PolarHBondContact O-N 2.78Å; T305-K309 VanDerWaalsContact O-N 3.13Å
306V95.4Very high94Very high0 Ų056.8 Ų56.80%030%0.304CS..Hα-helixtrans-55.1-45-176.9164.20000112V261 C264 V265 C303 A308 K309 I310V261-V306 HydrophobicContact CG1-CG2 3.78Å; C264-V306 HydrophobicContact CB-CG2 4.5Å; V265-V306 HydrophobicContact CB-CG1 4.26Å; V265-V306 HydrophobicContact CG2-CG1 3.61Å; V265-V306 HydrophobicContact CG2-CG2 4.19Å; C303-V306 HydrophobicContact CB-CG2 4.15Å; V306-A308 VanDerWaalsContact C-N 3.27Å; V306-A308 PolarHBondContact O-N 3.34Å; V306-K309 PolarHBondContact O-N 2.75Å; V306-K309 VanDerWaalsContact O-N 3.17Å; V306-I310 HydrophobicContact CG1-CD1 3.66Å; V306-I310 HydrophobicContact CG1-CG1 4.15Å; V306-I310 WeakPolarHBondContact O-CG1 3.33Å; V306-I310 PolarHBondContact O-N 3.08Å
307A94.7Very high94.5Very high39 Ų3953.3 Ų53.332%0.32229%0.29SS..Hα-helixtrans-60-37.2-177.700000113.1Q268 R272 T305 S311Q268-A307 VanDerWaalsContact OE1-CA 3.25Å; R272-A307 PolarHBondContact NH2-O 3.24Å; T305-A307 VanDerWaalsContact C-N 3.32Å; T305-A307 PolarHBondContact O-N 2.82Å; A307-S311 PolarHBondContact O-N 3.19Å; A307-S311 PolarHBondContact O-OG 3.43Å
308A94.6Very high94.8Very high70 Ų7052.4 Ų52.458%0.57929%0.291SS*.Hα-helixtrans-73.4-41.1177.700000111.5T305 V306 S311 F312T305-A308 PolarHBondContact O-N 3.13Å; T305-A308 VanDerWaalsContact O-N 3.16Å; V306-A308 VanDerWaalsContact C-N 3.27Å; V306-A308 PolarHBondContact O-N 3.34Å; A308-S311 PolarHBondContact O-N 3.37Å; A308-F312 PolarHBondContact O-N 2.96Å; A308-F312 VanDerWaalsContact O-N 3.15Å
309K95.3Very high94.7Very high45 Ų4555.1 Ų55.120%0.19631%0.307CS..Hα-helixtrans-66.3-40.7176.6-71.7-175.2-178.9-90.20112.3V284 D287 M288 T305 V306 S311 F312 F313V284-K309 HydrophobicContact CB-CB 4.47Å; V284-K309 HydrophobicContact CG1-CB 3.72Å; V284-K309 HydrophobicContact CG1-CD 4.18Å; V284-K309 HydrophobicContact CG2-CB 4.07Å; D287-K309 VanDerWaalsContact CG-NZ 3.33Å; D287-K309 PolarHBondContact O-NZ 3.48Å; D287-K309 IonicContact OD1-NZ 2.57Å; D287-K309 IonicContact OD2-NZ 3.34Å; D287-K309 PolarHBondContact OD2-NZ 2.97Å; M288-K309 HydrophobicContact CG-CD 4.3Å; M288-K309 HydrophobicContact SD-CD 3.45Å; M288-K309 WeakPolarHBondContact SD-CD 3.36Å; M288-K309 WeakPolarHBondContact SD-CE 3.5Å; T305-K309 PolarHBondContact O-N 2.78Å; T305-K309 VanDerWaalsContact O-N 3.13Å; V306-K309 PolarHBondContact O-N 2.75Å; V306-K309 VanDerWaalsContact O-N 3.17Å; K309-S311 VanDerWaalsContact C-N 3.26Å; K309-S311 PolarHBondContact O-N 2.91Å; K309-F312 WeakPolarHBondContact O-CA 3.46Å; K309-F312 WeakPolarHBondContact O-CB 3.42Å; K309-F312 PolarHBondContact O-N 3.17Å; K309-F313 WeakPolarHBondContact O-CD2 3.49Å; K309-F313 PolarHBondContact O-N 3.46Å; K309-F313 VanDerWaalsContact O-N 3.08Å
310I95.4Very high94.6Very high0 Ų058.3 Ų58.30%032%0.324CS..Hα-helixtrans-54.1-48172.8-70.7169.5000110.1V265 Q268 L269 V284 V306 F312 F313 L314V265-I310 HydrophobicContact CG1-CD1 4.01Å; V265-I310 HydrophobicContact CG1-CG1 3.85Å; Q268-I310 HydrophobicContact CB-CD1 3.62Å; L269-I310 HydrophobicContact CD2-CG2 3.8Å; L269-I310 HydrophobicContact CG-CD1 4.42Å; L269-I310 HydrophobicContact CG-CG2 4.47Å; V284-I310 HydrophobicContact CG2-CG1 4.24Å; V306-I310 HydrophobicContact CG1-CD1 3.66Å; V306-I310 HydrophobicContact CG1-CG1 4.15Å; V306-I310 WeakPolarHBondContact O-CG1 3.33Å; V306-I310 PolarHBondContact O-N 3.08Å; I310-F312 PolarHBondContact O-N 3.27Å; I310-F313 PolarHBondContact O-N 3.39Å; I310-L314 HydrophobicContact CG2-CD1 3.48Å; I310-L314 VanDerWaalsContact CG2-CD1 3.48Å; I310-L314 HydrophobicContact CG2-CG 3.95Å; I310-L314 WeakPolarHBondContact O-CB 3.37Å; I310-L314 VanDerWaalsContact O-CG 3.29Å; I310-L314 WeakPolarHBondContact O-CG 3.19Å; I310-L314 PolarHBondContact O-N 3.28Å
311S94.4Very high94.6Very high70 Ų7057.6 Ų57.649%0.4932%0.317SS..Hα-helixtrans-67.4-18.4179.5-58.80000113.9R272 A307 A308 K309R272-S311 PolarHBondContact NH1-OG 2.87Å; R272-S311 VanDerWaalsContact NH1-OG 3.13Å; A307-S311 PolarHBondContact O-N 3.19Å; A307-S311 PolarHBondContact O-OG 3.43Å; A308-S311 PolarHBondContact O-N 3.37Å; K309-S311 VanDerWaalsContact C-N 3.26Å; K309-S311 PolarHBondContact O-N 2.91Å
312F94.7Very high94.5Very high152 Ų15258.6 Ų58.667%0.66732%0.321SS*.Hα-helixtrans-81.9-32.8174.2175.1-98.8000112.5A308 K309 I310A308-F312 PolarHBondContact O-N 2.96Å; A308-F312 VanDerWaalsContact O-N 3.15Å; K309-F312 WeakPolarHBondContact O-CA 3.46Å; K309-F312 WeakPolarHBondContact O-CB 3.42Å; K309-F312 PolarHBondContact O-N 3.17Å; I310-F312 PolarHBondContact O-N 3.27Å
313F92.4Very high94.4Very high64 Ų6463.4 Ų63.428%0.28135%0.347SS..Hα-helixtrans-96.4-5.9-178.7-70.7-72.6000114.5V280 A283 V284 D287 K309 I310V280-F313 HydrophobicContact CG1-CB 4.13Å; A283-F313 HydrophobicContact CB-CD1 3.83Å; A283-F313 HydrophobicContact CB-CD2 4.47Å; A283-F313 HydrophobicContact CB-CE1 3.97Å; A283-F313 HydrophobicContact CB-CG 4.1Å; A283-F313 HydrophobicContact CB-CZ 4.37Å; V284-F313 HydrophobicContact CG2-CD2 3.59Å; V284-F313 HydrophobicContact CG2-CE2 4.23Å; V284-F313 HydrophobicContact CG2-CG 4.4Å; D287-F313 HydrophobicContact CB-CE2 3.9Å; D287-F313 HydrophobicContact CB-CZ 3.79Å; K309-F313 WeakPolarHBondContact O-CD2 3.49Å; K309-F313 PolarHBondContact O-N 3.46Å; K309-F313 VanDerWaalsContact O-N 3.08Å; I310-F313 PolarHBondContact O-N 3.39Å
314L88.1Confident94.1Very high108 Ų10867.3 Ų67.357%0.56537%0.365SS*.  trans-89.60171.7-76.1179.7000111.3L269 R277 V280 I310L269-L314 HydrophobicContact CD2-CD1 4.25Å; L269-L314 HydrophobicContact CD2-CD2 4.21Å; R277-L314 VanDerWaalsContact NH1-CD2 3.29Å; V280-L314 HydrophobicContact CG2-CD2 3.98Å; I310-L314 HydrophobicContact CG2-CD1 3.48Å; I310-L314 VanDerWaalsContact CG2-CD1 3.48Å; I310-L314 HydrophobicContact CG2-CG 3.95Å; I310-L314 WeakPolarHBondContact O-CB 3.37Å; I310-L314 VanDerWaalsContact O-CG 3.29Å; I310-L314 WeakPolarHBondContact O-CG 3.19Å; I310-L314 PolarHBondContact O-N 3.28Å

Retrieved 314 of 314 residues in 157.2 ms (Link to these results)