A0A087XUT1_POEFO Loading...

Terminal nucleotidyltransferase 5B

AlphaFold DB , UniProt , Accession A0A087XUT1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 392 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
1M41.9Very low63.3Low216 Ų216105.5 Ų105.5100%1.06457%0.568SS**  0-220-66.7-176.197.600113.5
2S46.3Very low66.1Low102 Ų102100.3 Ų100.371%0.71354%0.544SS*.Hα-helixtrans-69.2-36.5175.856.90000114.4A4 L5 D6S2-A4 VanDerWaalsContact C-N 3.32Å; S2-A4 PolarHBondContact O-N 2.91Å; S2-L5 PolarHBondContact O-N 3.25Å; S2-D6 PolarHBondContact O-N 3.34Å
3G43.6Very low68.6Low44 Ų4499.2 Ų99.245%0.45454%0.542SS..Hα-helixtrans-68.8-21.4-177.600000115.9Q7G3-Q7 WeakPolarHBondContact O-CG 3.49Å; G3-Q7 PolarHBondContact O-N 2.98Å
4A46.5Very low70.7Confident66 Ų6692.6 Ų92.655%0.54551%0.506SS..Hα-helixtrans-81.8-35.2176.700000112.2S2 Q7 T8S2-A4 VanDerWaalsContact C-N 3.32Å; S2-A4 PolarHBondContact O-N 2.91Å; A4-Q7 PolarHBondContact O-N 3.16Å; A4-T8 PolarHBondContact O-N 3.08Å
5L49.6Very low72.5Confident109 Ų10990.1 Ų90.157%0.57150%0.498SS*.Hα-helixtrans-68.1-38173.6-84.4151.6000111.6S2 Q7 T8 R9S2-L5 PolarHBondContact O-N 3.25Å; L5-Q7 VanDerWaalsContact C-N 3.34Å; L5-T8 PolarHBondContact O-N 2.89Å; L5-T8 PolarHBondContact O-OG1 3.16Å; L5-R9 PolarHBondContact O-N 2.99Å
6D53.5Low74.1Confident110 Ų11087.2 Ų87.259%0.58848%0.477SS*.Hα-helixtrans-63.6-38.9174.9-112.2-0.3000112.1S2 T8 R9S2-D6 PolarHBondContact O-N 3.34Å; D6-T8 VanDerWaalsContact C-N 3.28Å; D6-T8 PolarHBondContact O-N 2.9Å; D6-R9 PolarHBondContact O-N 2.82Å
7Q57.3Low75.4Confident125 Ų12587.5 Ų87.558%0.58448%0.478SS*.Hα-helixtrans-69.1-22.9177.2-77.6-175.97.300114G3 A4 L5 R10 F11G3-Q7 WeakPolarHBondContact O-CG 3.49Å; G3-Q7 PolarHBondContact O-N 2.98Å; A4-Q7 PolarHBondContact O-N 3.16Å; L5-Q7 VanDerWaalsContact C-N 3.34Å; Q7-R10 WeakPolarHBondContact O-CG 3.41Å; Q7-F11 VanDerWaalsContact O-CD2 3.27Å; Q7-F11 WeakPolarHBondContact O-CD2 3.41Å; Q7-F11 WeakPolarHBondContact O-CE2 3.3Å
8T73.6Confident76.7Confident89 Ų8983.9 Ų83.955%0.54646%0.458SS..Hα-helixtrans-80.6-28.1175.4470000113.1A4 L5 D6 R10 F11A4-T8 PolarHBondContact O-N 3.08Å; L5-T8 PolarHBondContact O-N 2.89Å; L5-T8 PolarHBondContact O-OG1 3.16Å; D6-T8 VanDerWaalsContact C-N 3.28Å; D6-T8 PolarHBondContact O-N 2.9Å; T8-R10 VanDerWaalsContact C-N 3.28Å; T8-R10 PolarHBondContact O-N 3.4Å; T8-F11 PolarHBondContact O-N 3.4Å
9R91.6Very high77.8Confident142 Ų14279.5 Ų79.554%0.53643%0.434SS..Hα-helixtrans-71.4-21.3-176.5-72.9-180178.6-169.7-1.6114L5 D6 F11 F216L5-R9 PolarHBondContact O-N 2.99Å; D6-R9 PolarHBondContact O-N 2.82Å; R9-F11 PolarHBondContact O-N 2.91Å; R9-F216 WeakPolarHBondContact O-CB 3.36Å; R9-F216 PolarHBondContact O-N 3.25Å
10R95.1Very high78.8Confident82 Ų8280.7 Ų80.731%0.30944%0.436SS..THydrogen-bonded Turntrans-73.1-12.8175.975.1-175.6170.7137.1-1.9113.9Q7 T8 E210 S211 G214Q7-R10 WeakPolarHBondContact O-CG 3.41Å; T8-R10 VanDerWaalsContact C-N 3.28Å; T8-R10 PolarHBondContact O-N 3.4Å; R10-E210 HydrophobicContact CG-CG 4.22Å; R10-E210 IonicContact CZ-OE1 2.86Å; R10-E210 IonicContact NE-OE1 3.67Å; R10-E210 IonicContact NH1-OE1 2.83Å; R10-E210 PolarHBondContact NH1-OE1 3.35Å; R10-E210 IonicContact NH1-OE2 3.71Å; R10-E210 CarbonylContact O-C 3.59Å; R10-E210 VanDerWaalsContact O-CA 3.26Å; R10-E210 WeakPolarHBondContact O-CA 3.31Å; R10-S211 PolarHBondContact O-N 3.06Å; R10-G214 WeakPolarHBondContact CA-O 3.46Å; R10-G214 WeakPolarHBondContact CB-O 3.47Å; R10-G214 PolarHBondContact N-O 3.05Å
11F97.1Very high79.7Confident76 Ų7679.7 Ų79.733%0.33343%0.426SS..EExtended strand (participates in β ladder)trans-111.2146.6-174.8-63.7-69.5000112.2Q7 T8 R9 I208 G209 E210Q7-F11 VanDerWaalsContact O-CD2 3.27Å; Q7-F11 WeakPolarHBondContact O-CD2 3.41Å; Q7-F11 WeakPolarHBondContact O-CE2 3.3Å; T8-F11 PolarHBondContact O-N 3.4Å; R9-F11 PolarHBondContact O-N 2.91Å; F11-I208 HydrophobicContact CB-CG2 4.29Å; F11-I208 HydrophobicContact CD1-CG2 3.89Å; F11-I208 HydrophobicContact CG-CG2 4.45Å; F11-G209 CarbonylContact C-O 3.56Å; F11-G209 VanDerWaalsContact CA-O 3.31Å; F11-G209 WeakPolarHBondContact CA-O 3.27Å; F11-E210 HydrophobicContact CD1-CB 3.81Å; F11-E210 HydrophobicContact CD1-CG 3.98Å; F11-E210 HydrophobicContact CE1-CB 3.77Å; F11-E210 HydrophobicContact CE1-CG 3.69Å; F11-E210 VanDerWaalsContact CE1-OE2 3.3Å; F11-E210 WeakPolarHBondContact CE1-OE2 3.47Å; F11-E210 HydrophobicContact CZ-CG 4.45Å
12C97.3Very high82.3Confident42 Ų4269.4 Ų69.428%0.28438%0.375SS..EExtended strand (participates in β ladder)trans-144145.4172.7-172.20000110.6G209 F216C12-G209 PolarHBondContact N-O 3.1Å; C12-G209 PolarHBondContact O-N 2.66Å; C12-F216 HydrophobicContact CB-CB 4.31Å; C12-F216 HydrophobicContact CB-CD1 3.27Å; C12-F216 HydrophobicContact CB-CD2 3.92Å; C12-F216 HydrophobicContact CB-CE1 3.4Å; C12-F216 HydrophobicContact CB-CE2 4.04Å; C12-F216 HydrophobicContact CB-CG 3.55Å; C12-F216 HydrophobicContact CB-CZ 3.79Å
13V97.9Very high84.7Confident86 Ų8666.6 Ų66.652%0.52135%0.352SS..EExtended strand (participates in β ladder)trans-81.6128170.7-1800000108.1T206 I208V13-T206 HydrophobicContact CG1-CG2 3.7Å; V13-T206 HydrophobicContact CG2-CG2 4.35Å; V13-I208 HydrophobicContact CB-CD1 4.41Å; V13-I208 HydrophobicContact CG2-CD1 3.68Å
14L98.3Very high87.2Confident8 Ų868 Ų684%0.04236%0.355CS..PPolyproline II helixtrans-69.2139.7177.1-87.764000110.6Q18 V19 V76 L77 I183 V207 G209L14-Q18 HydrophobicContact CB-CB 3.94Å; L14-Q18 HydrophobicContact CD2-CB 3.96Å; L14-Q18 HydrophobicContact CG-CB 3.89Å; L14-V19 HydrophobicContact CB-CG2 3.91Å; L14-V76 HydrophobicContact CD2-CG1 4.1Å; L14-L77 HydrophobicContact CD1-CD2 4.09Å; L14-L77 HydrophobicContact CD2-CD2 4.31Å; L14-L77 HydrophobicContact CG-CD2 3.99Å; L14-I183 HydrophobicContact CD2-CD1 4.18Å; L14-I183 HydrophobicContact CD2-CG1 4.49Å; L14-I183 HydrophobicContact CD2-CG2 3.85Å; L14-V207 HydrophobicContact CB-CB 4.33Å; L14-V207 HydrophobicContact CD2-CB 4.43Å; L14-V207 HydrophobicContact CD2-CG1 3.96Å; L14-V207 PolarHBondContact N-O 3.19Å; L14-G209 VanDerWaalsContact CD1-N 3.27Å
15S97.9Very high89.5Confident54 Ų5465.4 Ų65.438%0.37833%0.332SS..PPolyproline II helixtrans-67.7161.8168.658.50000111.7D17 Q18 V19S15-D17 VanDerWaalsContact C-N 3.31Å; S15-D17 PolarHBondContact O-N 3.15Å; S15-Q18 WeakPolarHBondContact O-CB 3.29Å; S15-Q18 PolarHBondContact O-N 3.37Å; S15-Q18 VanDerWaalsContact OG-CD 3.26Å; S15-Q18 VanDerWaalsContact OG-CG 3.29Å; S15-Q18 WeakPolarHBondContact OG-CG 3.41Å; S15-Q18 PolarHBondContact OG-OE1 2.74Å; S15-V19 WeakPolarHBondContact O-CG2 3.37Å; S15-V19 PolarHBondContact O-N 3.11Å
16W97.6Very high91.7Very high44 Ų4460.2 Ų60.217%0.16731%0.305CS..Hα-helixtrans-52.6-46.7176.3168.3-116.7000112.5Q18 V19 Q20 M199 S200 E201 H204W16-Q18 PolarHBondContact O-N 3.22Å; W16-V19 HydrophobicContact CE3-CB 4.46Å; W16-V19 PolarHBondContact O-N 3.2Å; W16-V19 VanDerWaalsContact O-N 3.08Å; W16-Q20 HydrophobicContact CZ2-CB 4.32Å; W16-Q20 HydrophobicContact CZ2-CG 4.36Å; W16-Q20 WeakPolarHBondContact O-CB 3.43Å; W16-Q20 PolarHBondContact O-N 3.49Å; W16-M199 HydrophobicContact CH2-CB 3.88Å; W16-M199 HydrophobicContact CZ3-CB 4.02Å; W16-S200 VanDerWaalsContact CH2-C 3.45Å; W16-S200 WeakPolarHBondContact CZ3-O 3.49Å; W16-E201 HydrophobicContact CB-CG 4.28Å; W16-E201 HydrophobicContact CD2-CB 4.19Å; W16-E201 HydrophobicContact CG-CB 4.03Å; W16-E201 HydrophobicContact CG-CG 3.92Å; W16-H204 HydrophobicContact CE3-CB 3.77Å; W16-H204 AromaticContact CE3-CE1 3.92Å; W16-H204 AromaticContact CE3-CG 3.5Å; W16-H204 VanDerWaalsContact CE3-CG 3.5Å; W16-H204 AromaticContact CE3-ND1 3.4Å; W16-H204 HydrophobicContact CZ3-CB 3.5Å; W16-H204 VanDerWaalsContact CZ3-CB 3.5Å; W16-H204 AromaticContact CZ3-CG 3.8Å; W16-H204 AromaticContact CZ3-ND1 3.95Å
17D97.4Very high93.7Very high92 Ų9256 Ų5649%0.49229%0.288SS..Hα-helixtrans-59.9-35.9179-61.9-27.4000112.4S15 R21S15-D17 VanDerWaalsContact C-N 3.31Å; S15-D17 PolarHBondContact O-N 3.15Å; D17-R21 WeakPolarHBondContact O-CG 3.43Å; D17-R21 PolarHBondContact O-N 3.14Å; D17-R21 VanDerWaalsContact O-N 3.1Å; D17-R21 PolarHBondContact O-NH1 3.48Å
18Q98Very high95.4Very high24 Ų2454.7 Ų54.711%0.11228%0.281CS..Hα-helixtrans-71.2-42.2175.5-69.5167-31.300111.2L14 S15 W16 R21 L22 V76 L77L14-Q18 HydrophobicContact CB-CB 3.94Å; L14-Q18 HydrophobicContact CD2-CB 3.96Å; L14-Q18 HydrophobicContact CG-CB 3.89Å; S15-Q18 WeakPolarHBondContact O-CB 3.29Å; S15-Q18 PolarHBondContact O-N 3.37Å; S15-Q18 VanDerWaalsContact OG-CD 3.26Å; S15-Q18 VanDerWaalsContact OG-CG 3.29Å; S15-Q18 WeakPolarHBondContact OG-CG 3.41Å; S15-Q18 PolarHBondContact OG-OE1 2.74Å; W16-Q18 PolarHBondContact O-N 3.22Å; Q18-R21 PolarHBondContact O-N 3.19Å; Q18-L22 WeakPolarHBondContact O-CB 3.42Å; Q18-L22 PolarHBondContact O-N 3.2Å; Q18-V76 HydrophobicContact CB-CG1 4.4Å; Q18-V76 VanDerWaalsContact O-CG1 3.31Å; Q18-V76 WeakPolarHBondContact O-CG1 3.45Å; Q18-L77 PolarHBondContact NE2-O 2.93Å; Q18-L77 VanDerWaalsContact NE2-O 3.1Å
19V98.3Very high96.4Very high0 Ų052.7 Ų52.70%027%0.274CS..Hα-helixtrans-62.5-43175.7176.40000110.9L14 S15 W16 R21 L22 D23 M199 V207L14-V19 HydrophobicContact CB-CG2 3.91Å; S15-V19 WeakPolarHBondContact O-CG2 3.37Å; S15-V19 PolarHBondContact O-N 3.11Å; W16-V19 HydrophobicContact CE3-CB 4.46Å; W16-V19 PolarHBondContact O-N 3.2Å; W16-V19 VanDerWaalsContact O-N 3.08Å; V19-R21 PolarHBondContact O-N 3.38Å; V19-L22 WeakPolarHBondContact O-CB 3.46Å; V19-L22 PolarHBondContact O-N 3.28Å; V19-D23 WeakPolarHBondContact O-CB 3.31Å; V19-D23 PolarHBondContact O-N 3.36Å; V19-M199 HydrophobicContact CG1-SD 4.32Å; V19-V207 HydrophobicContact CG1-CG2 4.22Å; V19-V207 HydrophobicContact CG2-CB 4.02Å; V19-V207 HydrophobicContact CG2-CG2 3.92Å
20Q97.4Very high96.4Very high102 Ų10246.7 Ų46.748%0.47725%0.253SS..Hα-helixtrans-62.9-43177.4-170.4-176.523.400111.8W16 D23 S24W16-Q20 HydrophobicContact CZ2-CB 4.32Å; W16-Q20 HydrophobicContact CZ2-CG 4.36Å; W16-Q20 WeakPolarHBondContact O-CB 3.43Å; W16-Q20 PolarHBondContact O-N 3.49Å; Q20-D23 PolarHBondContact O-N 3.37Å; Q20-S24 PolarHBondContact O-N 3.37Å
21R97.1Very high96.4Very high61 Ų6145 Ų4523%0.2325%0.252CS..Hα-helixtrans-63.5-41.7174.1-76.5-170.9-61.3-85.91.8112.2D17 Q18 V19 S24 I25 V76D17-R21 WeakPolarHBondContact O-CG 3.43Å; D17-R21 PolarHBondContact O-N 3.14Å; D17-R21 VanDerWaalsContact O-N 3.1Å; D17-R21 PolarHBondContact O-NH1 3.48Å; Q18-R21 PolarHBondContact O-N 3.19Å; V19-R21 PolarHBondContact O-N 3.38Å; R21-S24 PolarHBondContact O-N 3.24Å; R21-I25 WeakPolarHBondContact O-CG1 3.07Å; R21-I25 PolarHBondContact O-N 3.32Å; R21-V76 PolarHBondContact NE-O 3.45Å; R21-V76 PolarHBondContact NH2-O 3.26Å
22L97.8Very high96.3Very high0 Ų041.4 Ų41.40%024%0.237CC..Hα-helixtrans-59.3-48175.718064.3000111.4Q18 V19 S24 I25 L26 L68 V76 I183 L185 L188 V207Q18-L22 WeakPolarHBondContact O-CB 3.42Å; Q18-L22 PolarHBondContact O-N 3.2Å; V19-L22 WeakPolarHBondContact O-CB 3.46Å; V19-L22 PolarHBondContact O-N 3.28Å; L22-S24 VanDerWaalsContact C-N 3.35Å; L22-S24 PolarHBondContact O-N 3.1Å; L22-I25 PolarHBondContact O-N 3.25Å; L22-L26 HydrophobicContact CD1-CD1 3.94Å; L22-L26 HydrophobicContact CD1-CG 4.26Å; L22-L26 HydrophobicContact CG-CD1 3.96Å; L22-L26 WeakPolarHBondContact O-CB 3.49Å; L22-L26 WeakPolarHBondContact O-CG 3.18Å; L22-L26 PolarHBondContact O-N 2.93Å; L22-L68 HydrophobicContact CD1-CD2 3.61Å; L22-V76 HydrophobicContact CB-CG1 3.89Å; L22-V76 HydrophobicContact CB-CG2 4.26Å; L22-V76 HydrophobicContact CD1-CG2 4.03Å; L22-I183 HydrophobicContact CD1-CG2 4.43Å; L22-I183 HydrophobicContact CD2-CG2 3.74Å; L22-L185 HydrophobicContact CD1-CD2 3.94Å; L22-L185 HydrophobicContact CD2-CD2 4.15Å; L22-L185 HydrophobicContact CG-CD2 4.46Å; L22-L188 HydrophobicContact CD2-CD2 3.84Å; L22-L188 HydrophobicContact CG-CD2 3.93Å; L22-V207 HydrophobicContact CD2-CG1 3.82Å
23D96.8Very high96.2Very high42 Ų4241 Ų4123%0.22523%0.231CC..Hα-helixtrans-59.1-46.1178.3-176.964.4000111.8V19 Q20 I25 L26 G27 R46 M199V19-D23 WeakPolarHBondContact O-CB 3.31Å; V19-D23 PolarHBondContact O-N 3.36Å; Q20-D23 PolarHBondContact O-N 3.37Å; D23-I25 PolarHBondContact O-N 2.89Å; D23-L26 PolarHBondContact O-N 2.67Å; D23-G27 PolarHBondContact O-N 3.1Å; D23-R46 PolarHBondContact O-NH2 3.31Å; D23-R46 IonicContact OD1-CZ 3.75Å; D23-R46 IonicContact OD1-NH1 2.59Å; D23-R46 PolarHBondContact OD1-NH1 2.79Å; D23-R46 IonicContact OD1-NH2 3.65Å; D23-R46 PolarHBondContact OD1-NH2 3.08Å; D23-R46 IonicContact OD2-NH2 3.09Å; D23-M199 HydrophobicContact CB-CE 3.54Å; D23-M199 WeakPolarHBondContact OD1-CE 3.32Å
24S95.4Very high96Very high74 Ų7437.7 Ų37.752%0.51721%0.214SC..Hα-helixtrans-57.8-47.8176.1-1740000111.7Q20 R21 L22 L26 G27 E28Q20-S24 PolarHBondContact O-N 3.37Å; R21-S24 PolarHBondContact O-N 3.24Å; L22-S24 VanDerWaalsContact C-N 3.35Å; L22-S24 PolarHBondContact O-N 3.1Å; S24-L26 VanDerWaalsContact C-N 3.32Å; S24-L26 PolarHBondContact O-N 3.01Å; S24-G27 PolarHBondContact O-N 3.03Å; S24-E28 WeakPolarHBondContact O-CB 3.47Å; S24-E28 PolarHBondContact O-N 2.92Å
25I95.1Very high95.8Very high11 Ų1143.7 Ų43.76%0.05624%0.236CC..Hα-helixtrans-63.9-39.2-180-70.5171000111.3R21 L22 D23 V76 L88R21-I25 WeakPolarHBondContact O-CG1 3.07Å; R21-I25 PolarHBondContact O-N 3.32Å; L22-I25 PolarHBondContact O-N 3.25Å; D23-I25 PolarHBondContact O-N 2.89Å; I25-V76 HydrophobicContact CD1-CG2 3.6Å; I25-L88 HydrophobicContact CG2-CD2 3.69Å
26L95.9Very high95.4Very high1 Ų144.7 Ų44.71%0.00526%0.255CS..Hα-helixtrans-77.6-23.9-179.9-68.1176.5000113.2L22 D23 S24 P45 R46 L185 L188L22-L26 HydrophobicContact CD1-CD1 3.94Å; L22-L26 HydrophobicContact CD1-CG 4.26Å; L22-L26 HydrophobicContact CG-CD1 3.96Å; L22-L26 WeakPolarHBondContact O-CB 3.49Å; L22-L26 WeakPolarHBondContact O-CG 3.18Å; L22-L26 PolarHBondContact O-N 2.93Å; D23-L26 PolarHBondContact O-N 2.67Å; S24-L26 VanDerWaalsContact C-N 3.32Å; S24-L26 PolarHBondContact O-N 3.01Å; L26-P45 HydrophobicContact CD2-CB 3.94Å; L26-P45 WeakPolarHBondContact O-CD 3.32Å; L26-R46 HydrophobicContact CB-CB 4.17Å; L26-R46 WeakPolarHBondContact O-CB 3.39Å; L26-R46 PolarHBondContact O-N 2.95Å; L26-L185 HydrophobicContact CD1-CD1 4.36Å; L26-L185 HydrophobicContact CD1-CD2 3.86Å; L26-L185 HydrophobicContact CD2-CD1 4.32Å; L26-L188 HydrophobicContact CD1-CD2 3.67Å
27G94.7Very high95Very high22 Ų2250.8 Ų50.823%0.22729%0.291CS..Hα-helixtrans-91.6-15.8177.700000114.7D23 S24 A29 Q44D23-G27 PolarHBondContact O-N 3.1Å; S24-G27 PolarHBondContact O-N 3.03Å; G27-A29 PolarHBondContact O-N 3.01Å; G27-Q44 VanDerWaalsContact O-CD 3.26Å; G27-Q44 WeakPolarHBondContact O-CG 3.31Å; G27-Q44 PolarHBondContact O-NE2 2.81Å
28E93Very high94.8Very high97 Ų9749.4 Ų49.445%0.45328%0.281SS..SBendtrans-71.2126.4176.2-169.3-178.2170.300110.5S24 V30 P45S24-E28 WeakPolarHBondContact O-CB 3.47Å; S24-E28 PolarHBondContact O-N 2.92Å; E28-V30 PolarHBondContact O-N 3.13Å; E28-P45 WeakPolarHBondContact O-CD 3.39Å
29A93.9Very high94.7Very high46 Ų4650.3 Ų50.338%0.3829%0.288SS..  trans-71.2124.5177.100000110.3G27 Q44G27-A29 PolarHBondContact O-N 3.01Å; A29-Q44 HydrophobicContact CB-CG 4.41Å
30V92.9Very high94.5Very high16 Ų1653.7 Ų53.710%0.09731%0.309CS..EExtended strand (participates in β ladder)trans-106.6137179.1-630000111.2E28 V43 P45 L88 V162E28-V30 PolarHBondContact O-N 3.13Å; V30-V43 HydrophobicContact CG2-CG2 4.4Å; V30-V43 VanDerWaalsContact CG2-O 3.28Å; V30-V43 WeakPolarHBondContact CG2-O 3.43Å; V30-V43 PolarHBondContact N-O 2.83Å; V30-V43 PolarHBondContact O-N 2.89Å; V30-V43 VanDerWaalsContact O-N 3.16Å; V30-P45 HydrophobicContact CG1-CG 4.41Å; V30-P45 HydrophobicContact CG2-CG 4.26Å; V30-L88 HydrophobicContact CG1-CD1 3.96Å; V30-V162 HydrophobicContact CG2-CG2 3.64Å
31P94.5Very high94.4Very high46 Ų4648.9 Ų48.930%0.29929%0.287SS..EExtended strand (participates in β ladder)trans-80.6123.7179.730.9-33.6000111.7T40 L41 N156P31-T40 HydrophobicContact CB-CG2 3.79Å; P31-L41 CarbonylContact C-O 3.51Å; P31-L41 VanDerWaalsContact CA-O 3.3Å; P31-L41 WeakPolarHBondContact CA-O 3.29Å; P31-N156 PolarHBondContact O-ND2 2.73Å
32I95.8Very high94.3Very high1 Ų150.3 Ų50.31%0.00531%0.306CS..EExtended strand (participates in β ladder)trans-103.3110.2168.6-54.3174.9000108.2G34 T40 L41 V43 I48 Y135 L154 S155I32-G34 PolarHBondContact O-N 2.93Å; I32-T40 CarbonylContact O-C 3.49Å; I32-T40 WeakPolarHBondContact O-CA 3.26Å; I32-L41 HydrophobicContact CB-CB 4.12Å; I32-L41 HydrophobicContact CB-CD1 4.34Å; I32-L41 HydrophobicContact CB-CG 4.41Å; I32-L41 HydrophobicContact CG2-CD1 4.48Å; I32-L41 PolarHBondContact N-O 2.83Å; I32-L41 PolarHBondContact O-N 2.88Å; I32-V43 HydrophobicContact CD1-CG2 3.37Å; I32-V43 HydrophobicContact CG1-CG2 3.83Å; I32-I48 HydrophobicContact CD1-CD1 4.34Å; I32-Y135 HydrophobicContact CG2-CD1 4.02Å; I32-L154 HydrophobicContact CD1-CB 4.16Å; I32-L154 HydrophobicContact CD1-CD1 3.64Å; I32-L154 HydrophobicContact CD1-CG 4.5Å; I32-L154 HydrophobicContact CG1-CB 4.44Å; I32-L154 HydrophobicContact CG2-CB 3.93Å; I32-S155 CarbonylContact C-O 3.51Å; I32-S155 WeakPolarHBondContact CA-O 3.47Å
33H94.8Very high94.1Very high34 Ų3450.4 Ų50.416%0.15731%0.306CS..PPolyproline II helixtrans-81.4122.6-171.9-65.876.1000110.7S155 N156 N157H33-S155 PolarHBondContact N-O 3.38Å; H33-N156 PolarHBondContact CE1-OD1 2.69Å; H33-N157 PolarHBondContact CD2-ND2 3.48Å; H33-N157 PolarHBondContact ND1-N 2.94Å
34G94.1Very high94Very high17 Ų1752 Ų5218%0.17531%0.313CS..PPolyproline II helixtrans-76.2138.8170.500000111.5I32I32-G34 PolarHBondContact O-N 2.93Å
35R92.9Very high94Very high134 Ų13448.5 Ų48.551%0.50629%0.288SS..SBendtrans-78.1147.5170.6-67.2-177.3-178.61740.6111.3N37 F38 E133 A134R35-N37 PolarHBondContact O-N 2.93Å; R35-F38 PolarHBondContact O-N 3.28Å; R35-E133 WeakPolarHBondContact CD-O 3.27Å; R35-A134 WeakPolarHBondContact CG-O 3.44Å; R35-A134 PolarHBondContact N-O 3.05Å
36G90.1Very high94Very high75 Ų7549.6 Ų49.677%0.77329%0.292SS*.THydrogen-bonded Turntrans65.8-127.5-179.100000111.1
37N89.8Confident94Very high172 Ų17253.2 Ų53.292%0.9231%0.309SS*.THydrogen-bonded Turntrans-93.27.8-177.1-61.5-28.2000113.5R35R35-N37 PolarHBondContact O-N 2.93Å
38F93.5Very high94Very high63 Ų6352.3 Ų52.328%0.27630%0.298SS..PPolyproline II helixtrans-72.6136.1177.1-81.8-96.8000110.5R35 A134 Y135R35-F38 PolarHBondContact O-N 3.28Å; F38-A134 HydrophobicContact CB-CB 3.92Å; F38-A134 HydrophobicContact CD1-CB 3.73Å; F38-A134 HydrophobicContact CD2-CB 3.59Å; F38-A134 HydrophobicContact CE1-CB 4.12Å; F38-A134 HydrophobicContact CE2-CB 3.99Å; F38-A134 HydrophobicContact CG-CB 3.45Å; F38-A134 VanDerWaalsContact CG-CB 3.45Å; F38-A134 HydrophobicContact CZ-CB 4.24Å; F38-Y135 HydrophobicContact CB-CE1 4.42Å; F38-Y135 HydrophobicContact CB-CE2 4.44Å; F38-Y135 AromaticContact CD1-CE2 3.8Å; F38-Y135 HydrophobicContact CD1-CE2 3.8Å; F38-Y135 HydrophobicContact CG-CE2 4.45Å
39P94.3Very high94.2Very high43 Ų4347.7 Ų47.728%0.27928%0.277SS..PPolyproline II helixtrans-65.3157.4-178.428.5-35.7000111.5L117 P118 V121 Y135P39-L117 HydrophobicContact CG-CD2 3.88Å; P39-P118 HydrophobicContact CB-CG 4.21Å; P39-P118 HydrophobicContact CG-CG 4.39Å; P39-V121 HydrophobicContact CG-CG2 4.29Å; P39-Y135 WeakPolarHBondContact CD-OH 3.47Å; P39-Y135 VanDerWaalsContact O-CE1 3.25Å; P39-Y135 WeakPolarHBondContact O-CE1 3.45Å; P39-Y135 PolarHBondContact O-OH 2.84Å
40T95.3Very high94.3Very high71 Ų7148.5 Ų48.544%0.43627%0.273SS..PPolyproline II helixtrans-76.6126.9168.1-62.30000108.9P31 I32P31-T40 HydrophobicContact CB-CG2 3.79Å; I32-T40 CarbonylContact O-C 3.49Å; I32-T40 WeakPolarHBondContact O-CA 3.26Å
41L95.4Very high94.4Very high0 Ų049.5 Ų49.50%028%0.279CS..EExtended strand (participates in β ladder)trans-80.8140.4173.8-43177000108.6P31 I32 V43 L113 F116 L117 Y135P31-L41 CarbonylContact C-O 3.51Å; P31-L41 VanDerWaalsContact CA-O 3.3Å; P31-L41 WeakPolarHBondContact CA-O 3.29Å; I32-L41 HydrophobicContact CB-CB 4.12Å; I32-L41 HydrophobicContact CB-CD1 4.34Å; I32-L41 HydrophobicContact CB-CG 4.41Å; I32-L41 HydrophobicContact CG2-CD1 4.48Å; I32-L41 PolarHBondContact N-O 2.83Å; I32-L41 PolarHBondContact O-N 2.88Å; L41-V43 HydrophobicContact CB-CG1 4.26Å; L41-L113 HydrophobicContact CD1-CD2 3.96Å; L41-F116 HydrophobicContact CD1-CB 4.19Å; L41-L117 HydrophobicContact CD2-CD2 3.83Å; L41-L117 HydrophobicContact CD2-CG 4.45Å; L41-Y135 HydrophobicContact CD1-CD1 4.07Å; L41-Y135 HydrophobicContact CD1-CE1 3.94Å; L41-Y135 HydrophobicContact CD1-CE2 4.45Å; L41-Y135 HydrophobicContact CD1-CG 4.38Å; L41-Y135 HydrophobicContact CD2-CE1 4.02Å; L41-Y135 HydrophobicContact CG-CD1 4.2Å; L41-Y135 HydrophobicContact CG-CE1 3.66Å
42S94.3Very high94.6Very high91 Ų9147.4 Ų47.464%0.63627%0.265SS*.EExtended strand (participates in β ladder)trans-115.6105.6171.7-173.60000107.6
43V94.1Very high94.6Very high2 Ų249.2 Ų49.21%0.01227%0.272CS..EExtended strand (participates in β ladder)trans-134.9142.2-168.9-69.90000111.2V30 I32 L41 I48 F116V30-V43 HydrophobicContact CG2-CG2 4.4Å; V30-V43 VanDerWaalsContact CG2-O 3.28Å; V30-V43 WeakPolarHBondContact CG2-O 3.43Å; V30-V43 PolarHBondContact N-O 2.83Å; V30-V43 PolarHBondContact O-N 2.89Å; V30-V43 VanDerWaalsContact O-N 3.16Å; I32-V43 HydrophobicContact CD1-CG2 3.37Å; I32-V43 HydrophobicContact CG1-CG2 3.83Å; L41-V43 HydrophobicContact CB-CG1 4.26Å; V43-I48 HydrophobicContact CB-CD1 4.3Å; V43-I48 HydrophobicContact CB-CG1 4.22Å; V43-I48 HydrophobicContact CG2-CD1 3.71Å; V43-I48 HydrophobicContact CG2-CG1 4.15Å; V43-F116 HydrophobicContact CG1-CB 3.55Å; V43-F116 HydrophobicContact CG1-CD1 3.78Å; V43-F116 HydrophobicContact CG1-CD2 3.89Å; V43-F116 HydrophobicContact CG1-CE1 4.48Å; V43-F116 HydrophobicContact CG1-CG 3.46Å; V43-F116 VanDerWaalsContact CG1-CG 3.46Å
44Q94.9Very high94.7Very high76 Ų7649.6 Ų49.636%0.35528%0.281SS..  trans-85136.8173.5-66.9177.3-15.900110G27 A29 R46 Q47 I48G27-Q44 VanDerWaalsContact O-CD 3.26Å; G27-Q44 WeakPolarHBondContact O-CG 3.31Å; G27-Q44 PolarHBondContact O-NE2 2.81Å; A29-Q44 HydrophobicContact CB-CG 4.41Å; Q44-R46 PolarHBondContact O-N 3.36Å; Q44-Q47 HydrophobicContact CB-CB 4.13Å; Q44-Q47 WeakPolarHBondContact O-CB 3.15Å; Q44-Q47 PolarHBondContact O-N 2.94Å; Q44-I48 PolarHBondContact O-N 2.74Å
45P95.4Very high94.8Very high1 Ų151.8 Ų51.81%0.00628%0.284CS..Hα-helixtrans-53.2-39.3174.8-27.534.7000112.8L26 E28 V30 Q47 I48 V49 L88 L90L26-P45 HydrophobicContact CD2-CB 3.94Å; L26-P45 WeakPolarHBondContact O-CD 3.32Å; E28-P45 WeakPolarHBondContact O-CD 3.39Å; V30-P45 HydrophobicContact CG1-CG 4.41Å; V30-P45 HydrophobicContact CG2-CG 4.26Å; P45-Q47 PolarHBondContact O-N 2.98Å; P45-I48 PolarHBondContact O-N 3.4Å; P45-V49 WeakPolarHBondContact O-CG2 3.27Å; P45-V49 PolarHBondContact O-N 3.3Å; P45-L88 HydrophobicContact CB-CD1 4.34Å; P45-L88 HydrophobicContact CG-CD1 3.49Å; P45-L88 VanDerWaalsContact CG-CD1 3.49Å; P45-L90 HydrophobicContact CB-CD1 4.5Å
46R95.3Very high95Very high33 Ų3345.4 Ų45.413%0.12526%0.26CS..Hα-helixtrans-55.6-47.4173.3-173.6-168.1-49.9-134.87.1112.6D23 L26 Q44 V49 Q50 L189 D192D23-R46 PolarHBondContact O-NH2 3.31Å; D23-R46 IonicContact OD1-CZ 3.75Å; D23-R46 IonicContact OD1-NH1 2.59Å; D23-R46 PolarHBondContact OD1-NH1 2.79Å; D23-R46 IonicContact OD1-NH2 3.65Å; D23-R46 PolarHBondContact OD1-NH2 3.08Å; D23-R46 IonicContact OD2-NH2 3.09Å; L26-R46 HydrophobicContact CB-CB 4.17Å; L26-R46 WeakPolarHBondContact O-CB 3.39Å; L26-R46 PolarHBondContact O-N 2.95Å; Q44-R46 PolarHBondContact O-N 3.36Å; R46-V49 PolarHBondContact O-N 3.34Å; R46-Q50 VanDerWaalsContact O-CG 3.32Å; R46-Q50 WeakPolarHBondContact O-CG 3.35Å; R46-Q50 PolarHBondContact O-N 2.83Å; R46-L189 HydrophobicContact CG-CD2 4.05Å; R46-D192 WeakPolarHBondContact CD-OD2 3.09Å; R46-D192 IonicContact CZ-OD2 3.84Å; R46-D192 IonicContact NE-OD2 3.01Å; R46-D192 IonicContact NH1-OD1 2.68Å; R46-D192 PolarHBondContact NH1-OD1 3.31Å; R46-D192 IonicContact NH1-OD2 2.67Å; R46-D192 PolarHBondContact NH1-OD2 3Å
47Q95.1Very high95.3Very high78 Ų7846 Ų4636%0.36424%0.242SC..Hα-helixtrans-65-42.1179.6-171.5-175.52.200111.2Q44 P45 V49 Q50 V51 F116Q44-Q47 HydrophobicContact CB-CB 4.13Å; Q44-Q47 WeakPolarHBondContact O-CB 3.15Å; Q44-Q47 PolarHBondContact O-N 2.94Å; P45-Q47 PolarHBondContact O-N 2.98Å; Q47-V49 VanDerWaalsContact C-N 3.34Å; Q47-V49 PolarHBondContact O-N 3.02Å; Q47-Q50 PolarHBondContact O-N 3.09Å; Q47-V51 HydrophobicContact CG-CG2 4.38Å; Q47-V51 VanDerWaalsContact O-CG2 3.32Å; Q47-V51 WeakPolarHBondContact O-CG2 3.3Å; Q47-V51 PolarHBondContact O-N 3.41Å; Q47-F116 HydrophobicContact CG-CE1 4.02Å
48I95.6Very high95.6Very high2 Ų245.1 Ų45.11%0.0123%0.233CC..Hα-helixtrans-57.5-49.8174.7-60.8172.4000110I32 V43 Q44 P45 Q50 V51 V52 F116 V162 L164I32-I48 HydrophobicContact CD1-CD1 4.34Å; V43-I48 HydrophobicContact CB-CD1 4.3Å; V43-I48 HydrophobicContact CB-CG1 4.22Å; V43-I48 HydrophobicContact CG2-CD1 3.71Å; V43-I48 HydrophobicContact CG2-CG1 4.15Å; Q44-I48 PolarHBondContact O-N 2.74Å; P45-I48 PolarHBondContact O-N 3.4Å; I48-Q50 PolarHBondContact O-N 3Å; I48-V51 PolarHBondContact O-N 2.88Å; I48-V52 HydrophobicContact CG2-CG2 4.06Å; I48-V52 VanDerWaalsContact O-CB 3.27Å; I48-V52 WeakPolarHBondContact O-CB 3.46Å; I48-V52 WeakPolarHBondContact O-CG2 3.49Å; I48-V52 PolarHBondContact O-N 3.38Å; I48-F116 HydrophobicContact CG1-CE2 4.04Å; I48-F116 HydrophobicContact CG1-CZ 4.18Å; I48-V162 HydrophobicContact CD1-CG1 4.05Å; I48-L164 HydrophobicContact CG2-CD1 4.02Å; I48-L164 HydrophobicContact CG2-CD2 3.84Å
49V96.8Very high95.6Very high0 Ų049.5 Ų49.50%025%0.247CC..Hα-helixtrans-59.6-47.3-179.6171.50000111.7P45 R46 Q47 R53 V66 L90 F92 L189P45-V49 WeakPolarHBondContact O-CG2 3.27Å; P45-V49 PolarHBondContact O-N 3.3Å; R46-V49 PolarHBondContact O-N 3.34Å; Q47-V49 VanDerWaalsContact C-N 3.34Å; Q47-V49 PolarHBondContact O-N 3.02Å; V49-R53 WeakPolarHBondContact O-CB 3.46Å; V49-R53 PolarHBondContact O-N 3.23Å; V49-V66 HydrophobicContact CG1-CB 4.11Å; V49-V66 HydrophobicContact CG1-CG1 3.69Å; V49-V66 HydrophobicContact CG1-CG2 4.03Å; V49-V66 HydrophobicContact CG2-CG1 4.19Å; V49-L90 HydrophobicContact CG2-CD1 3.7Å; V49-L90 HydrophobicContact CG2-CD2 3.96Å; V49-L90 HydrophobicContact CG2-CG 4.32Å; V49-F92 HydrophobicContact CB-CZ 4.39Å; V49-F92 HydrophobicContact CG1-CE1 4.24Å; V49-F92 HydrophobicContact CG1-CZ 4.4Å; V49-F92 HydrophobicContact CG2-CZ 4.07Å; V49-L189 HydrophobicContact CG1-CD1 3.48Å; V49-L189 VanDerWaalsContact CG1-CD1 3.48Å; V49-L189 HydrophobicContact CG1-CD2 4.19Å; V49-L189 HydrophobicContact CG1-CG 4.49Å
50Q95.4Very high95.5Very high64 Ų6450.7 Ų50.730%0.29927%0.268SS..Hα-helixtrans-62-48.6-179-72.7172.6-20.600112R46 Q47 I48 A54 L189R46-Q50 VanDerWaalsContact O-CG 3.32Å; R46-Q50 WeakPolarHBondContact O-CG 3.35Å; R46-Q50 PolarHBondContact O-N 2.83Å; Q47-Q50 PolarHBondContact O-N 3.09Å; I48-Q50 PolarHBondContact O-N 3Å; Q50-A54 WeakPolarHBondContact O-CB 3.42Å; Q50-A54 PolarHBondContact O-N 2.9Å; Q50-L189 HydrophobicContact CG-CD2 4.05Å
51V96.2Very high95.4Very high37 Ų3747.9 Ų47.922%0.22425%0.251CS..Hα-helixtrans-68.1-44.6-177.9177.60000111.2Q47 I48 A54 R55 C112 F116Q47-V51 HydrophobicContact CG-CG2 4.38Å; Q47-V51 VanDerWaalsContact O-CG2 3.32Å; Q47-V51 WeakPolarHBondContact O-CG2 3.3Å; Q47-V51 PolarHBondContact O-N 3.41Å; I48-V51 PolarHBondContact O-N 2.88Å; V51-A54 PolarHBondContact O-N 3.48Å; V51-R55 WeakPolarHBondContact O-CB 3.44Å; V51-R55 WeakPolarHBondContact O-CG 3.42Å; V51-R55 PolarHBondContact O-N 3.49Å; V51-C112 HydrophobicContact CG1-CB 4.2Å; V51-F116 HydrophobicContact CB-CZ 4.24Å; V51-F116 HydrophobicContact CG1-CZ 4.49Å; V51-F116 HydrophobicContact CG2-CE1 4.29Å; V51-F116 HydrophobicContact CG2-CZ 4.34Å
52V97.5Very high95.3Very high1 Ų151.7 Ų51.71%0.00628%0.276CS..Hα-helixtrans-64.3-44.9178.5171.60000110.7I48 R55 L56 F92 V109 C112 F166I48-V52 HydrophobicContact CG2-CG2 4.06Å; I48-V52 VanDerWaalsContact O-CB 3.27Å; I48-V52 WeakPolarHBondContact O-CB 3.46Å; I48-V52 WeakPolarHBondContact O-CG2 3.49Å; I48-V52 PolarHBondContact O-N 3.38Å; V52-R55 PolarHBondContact O-N 3.41Å; V52-L56 HydrophobicContact CG1-CD1 3.9Å; V52-L56 HydrophobicContact CG1-CG 4.32Å; V52-L56 WeakPolarHBondContact O-CB 3.48Å; V52-L56 VanDerWaalsContact O-CG 3.27Å; V52-L56 WeakPolarHBondContact O-CG 3.37Å; V52-L56 PolarHBondContact O-N 2.99Å; V52-F92 HydrophobicContact CB-CE1 4.21Å; V52-F92 HydrophobicContact CB-CZ 4.19Å; V52-F92 HydrophobicContact CG1-CD1 4.47Å; V52-F92 HydrophobicContact CG1-CE1 3.88Å; V52-F92 HydrophobicContact CG1-CZ 3.96Å; V52-V109 HydrophobicContact CG1-CG2 4.27Å; V52-V109 HydrophobicContact CG2-CG2 4.44Å; V52-C112 HydrophobicContact CG2-CB 4.24Å; V52-F166 HydrophobicContact CG1-CE1 3.88Å; V52-F166 HydrophobicContact CG1-CZ 4.01Å
53R97.1Very high95.4Very high40 Ų4047.8 Ų47.815%0.15125%0.249CC..Hα-helixtrans-59.3-51.4177.5-179.9177.7-174.4155.35.8111.3V49 R55 L56 E57 V63 D186V49-R53 WeakPolarHBondContact O-CB 3.46Å; V49-R53 PolarHBondContact O-N 3.23Å; R53-R55 VanDerWaalsContact C-N 3.34Å; R53-R55 PolarHBondContact O-N 3.44Å; R53-L56 PolarHBondContact O-N 2.93Å; R53-E57 WeakPolarHBondContact CG-OE1 3.48Å; R53-E57 IonicContact CZ-OE1 3.93Å; R53-E57 IonicContact NE-OE1 3.23Å; R53-E57 PolarHBondContact NE-OE1 3.03Å; R53-E57 VanDerWaalsContact NE-OE1 3.09Å; R53-E57 WeakPolarHBondContact O-CG 3.35Å; R53-E57 PolarHBondContact O-N 3.31Å; R53-V63 HydrophobicContact CG-CB 4.16Å; R53-V63 HydrophobicContact CG-CG1 4.2Å; R53-V63 HydrophobicContact CG-CG2 4.21Å; R53-D186 IonicContact CZ-OD2 3.79Å; R53-D186 IonicContact NH1-OD1 3.55Å; R53-D186 PolarHBondContact NH1-OD1 3.25Å; R53-D186 IonicContact NH1-OD2 2.62Å; R53-D186 PolarHBondContact NH1-OD2 2.87Å; R53-D186 IonicContact NH2-OD2 3.49Å; R53-D186 PolarHBondContact NH2-OD2 3.4Å
54A95.8Very high95.5Very high41 Ų4153.7 Ų53.734%0.33927%0.274SS..Hα-helixtrans-57.4-47.2-179.500000111.6Q50 V51 L56 E57 E58Q50-A54 WeakPolarHBondContact O-CB 3.42Å; Q50-A54 PolarHBondContact O-N 2.9Å; V51-A54 PolarHBondContact O-N 3.48Å; A54-L56 PolarHBondContact O-N 3.4Å; A54-E57 PolarHBondContact O-N 3.46Å; A54-E58 WeakPolarHBondContact O-CB 3.43Å; A54-E58 VanDerWaalsContact O-CG 3.31Å; A54-E58 WeakPolarHBondContact O-CG 3.17Å; A54-E58 PolarHBondContact O-N 2.91Å
55R96.8Very high95.6Very high64 Ų6451.7 Ų51.724%0.24227%0.266CS..Hα-helixtrans-69.2-32.8-179.5-75.4-176.8166.2-170.93.4114V51 V52 R53 R59 V108 D111 C112 D115V51-R55 WeakPolarHBondContact O-CB 3.44Å; V51-R55 WeakPolarHBondContact O-CG 3.42Å; V51-R55 PolarHBondContact O-N 3.49Å; V52-R55 PolarHBondContact O-N 3.41Å; R53-R55 VanDerWaalsContact C-N 3.34Å; R53-R55 PolarHBondContact O-N 3.44Å; R55-R59 WeakPolarHBondContact O-CB 3.33Å; R55-R59 WeakPolarHBondContact O-CG 3.4Å; R55-R59 PolarHBondContact O-N 3.26Å; R55-V108 HydrophobicContact CB-CG1 3.59Å; R55-D111 PolarHBondContact NH1-O 2.81Å; R55-C112 VanDerWaalsContact CD-SG 3.57Å; R55-D115 IonicContact CZ-OD1 3.51Å; R55-D115 IonicContact CZ-OD2 2.57Å; R55-D115 IonicContact NE-OD2 3.81Å; R55-D115 IonicContact NH1-OD1 2.88Å; R55-D115 IonicContact NH1-OD2 3.75Å; R55-D115 PolarHBondContact NH1-OD2 2.97Å; R55-D115 IonicContact NH2-OD1 3.65Å; R55-D115 PolarHBondContact NH2-OD1 3.15Å; R55-D115 IonicContact NH2-OD2 3.64Å; R55-D115 PolarHBondContact NH2-OD2 3.28Å
56L96.7Very high95.8Very high0 Ų051.7 Ų51.70%027%0.265CS..Hα-helixtrans-64-46.9172.2-75173.5000110.8V52 R53 A54 R59 G60 V61 V63 V94 V105 V108 F166V52-L56 HydrophobicContact CG1-CD1 3.9Å; V52-L56 HydrophobicContact CG1-CG 4.32Å; V52-L56 WeakPolarHBondContact O-CB 3.48Å; V52-L56 VanDerWaalsContact O-CG 3.27Å; V52-L56 WeakPolarHBondContact O-CG 3.37Å; V52-L56 PolarHBondContact O-N 2.99Å; R53-L56 PolarHBondContact O-N 2.93Å; A54-L56 PolarHBondContact O-N 3.4Å; L56-R59 CarbonylContact O-C 3.58Å; L56-R59 PolarHBondContact O-N 3.31Å; L56-G60 PolarHBondContact O-N 2.94Å; L56-V61 CarbonylContact C-O 3.54Å; L56-V61 HydrophobicContact CB-CB 4.25Å; L56-V61 HydrophobicContact CB-CG1 4.39Å; L56-V61 HydrophobicContact CD2-CB 4.22Å; L56-V61 HydrophobicContact CD2-CG1 4.17Å; L56-V61 PolarHBondContact O-N 3.5Å; L56-V63 HydrophobicContact CB-CG2 3.85Å; L56-V63 HydrophobicContact CD1-CG2 3.88Å; L56-V94 HydrophobicContact CD1-CG1 4.33Å; L56-V105 HydrophobicContact CD2-CB 4.47Å; L56-V105 HydrophobicContact CD2-CG2 3.86Å; L56-V108 HydrophobicContact CD2-CB 4.1Å; L56-V108 HydrophobicContact CD2-CG1 4.07Å; L56-V108 HydrophobicContact CD2-CG2 4.17Å; L56-V108 HydrophobicContact CG-CG1 4.05Å; L56-F166 HydrophobicContact CD1-CD1 4.12Å; L56-F166 HydrophobicContact CD1-CE1 3.77Å
57E95.3Very high95.9Very high86 Ų8652 Ų5240%0.40227%0.267SS..Hα-helixtrans-64.1-44.1179.9-70.2173.8179.300111.5R53 A54 R59 G60 V61 V63R53-E57 WeakPolarHBondContact CG-OE1 3.48Å; R53-E57 IonicContact CZ-OE1 3.93Å; R53-E57 IonicContact NE-OE1 3.23Å; R53-E57 PolarHBondContact NE-OE1 3.03Å; R53-E57 VanDerWaalsContact NE-OE1 3.09Å; R53-E57 WeakPolarHBondContact O-CG 3.35Å; R53-E57 PolarHBondContact O-N 3.31Å; A54-E57 PolarHBondContact O-N 3.46Å; E57-R59 PolarHBondContact O-N 3.45Å; E57-G60 PolarHBondContact O-N 3.09Å; E57-V61 PolarHBondContact N-O 2.99Å; E57-V63 HydrophobicContact CG-CB 4.49Å; E57-V63 HydrophobicContact CG-CG2 4.21Å
58E96.1Very high96Very high154 Ų15448.2 Ų48.272%0.7225%0.249SC*.Hα-helixtrans-57.3-32.5173.9-76.8171.7-174.800113A54 G60A54-E58 WeakPolarHBondContact O-CB 3.43Å; A54-E58 VanDerWaalsContact O-CG 3.31Å; A54-E58 WeakPolarHBondContact O-CG 3.17Å; A54-E58 PolarHBondContact O-N 2.91Å; E58-G60 VanDerWaalsContact C-N 3.33Å
59R94.9Very high96Very high155 Ų15549.2 Ų49.259%0.58525%0.254SS*.THydrogen-bonded Turntrans-92.89179.7-62.2-73.5-129.5162.92.6113.1R55 L56 E57 L104 V108R55-R59 WeakPolarHBondContact O-CB 3.33Å; R55-R59 WeakPolarHBondContact O-CG 3.4Å; R55-R59 PolarHBondContact O-N 3.26Å; L56-R59 CarbonylContact O-C 3.58Å; L56-R59 PolarHBondContact O-N 3.31Å; E57-R59 PolarHBondContact O-N 3.45Å; R59-L104 HydrophobicContact CB-CD1 4Å; R59-L104 HydrophobicContact CB-CD2 3.7Å; R59-L104 HydrophobicContact CB-CG 4.15Å; R59-L104 HydrophobicContact CG-CD1 4.48Å; R59-V108 HydrophobicContact CG-CG2 4.19Å
60G92.1Very high95.6Very high69 Ų6949.6 Ų49.671%0.71126%0.259SS*.THydrogen-bonded Turntrans82.712.1174.400000115.3L56 E57 E58L56-G60 PolarHBondContact O-N 2.94Å; E57-G60 PolarHBondContact O-N 3.09Å; E58-G60 VanDerWaalsContact C-N 3.33Å
61V93.4Very high95.4Very high12 Ų1248.2 Ų48.27%0.07326%0.256CS..  trans-92.8110.1170.2170.70000109.3L56 E57 V63 V94 L104L56-V61 CarbonylContact C-O 3.54Å; L56-V61 HydrophobicContact CB-CB 4.25Å; L56-V61 HydrophobicContact CB-CG1 4.39Å; L56-V61 HydrophobicContact CD2-CB 4.22Å; L56-V61 HydrophobicContact CD2-CG1 4.17Å; L56-V61 PolarHBondContact O-N 3.5Å; E57-V61 PolarHBondContact N-O 2.99Å; V61-V63 PolarHBondContact O-N 3.45Å; V61-V94 HydrophobicContact CG1-CB 4.11Å; V61-V94 HydrophobicContact CG1-CG1 4.11Å; V61-L104 HydrophobicContact CB-CD2 4.14Å; V61-L104 HydrophobicContact CG2-CD2 3.23Å
62C92.6Very high95.3Very high80 Ų8046.4 Ų46.454%0.54125%0.245SC..  trans-66.7124.7176.8178.30000110.8V94C62-V94 WeakPolarHBondContact O-CA 3.49Å
63V96.8Very high95.2Very high9 Ų946.4 Ų46.46%0.05525%0.245CC..EExtended strand (participates in β ladder)trans-101.1110170.7-173.50000108.3R53 L56 E57 V61 V66 F92 G93 V94R53-V63 HydrophobicContact CG-CB 4.16Å; R53-V63 HydrophobicContact CG-CG1 4.2Å; R53-V63 HydrophobicContact CG-CG2 4.21Å; L56-V63 HydrophobicContact CB-CG2 3.85Å; L56-V63 HydrophobicContact CD1-CG2 3.88Å; E57-V63 HydrophobicContact CG-CB 4.49Å; E57-V63 HydrophobicContact CG-CG2 4.21Å; V61-V63 PolarHBondContact O-N 3.45Å; V63-V66 HydrophobicContact CG1-CG2 3.96Å; V63-F92 HydrophobicContact CG1-CD1 4.29Å; V63-G93 CarbonylContact C-O 3.48Å; V63-G93 WeakPolarHBondContact CA-O 3.46Å; V63-V94 HydrophobicContact CG2-CG1 4.09Å
64K96.3Very high95.1Very high126 Ų12644.5 Ų44.555%0.54824%0.238SC..EExtended strand (participates in β ladder)trans-73.6-45.5-177.6-62.9173.9-175.5163.40111.5G93K64-G93 PolarHBondContact N-O 3.29Å
65D97.1Very high95.1Very high34 Ų3444 Ų4418%0.18223%0.229CC..EExtended strand (participates in β ladder)trans-157.6160.8179.857.37.3000110.7R67 G93D65-R67 IonicContact OD1-NE 2.83Å; D65-R67 IonicContact OD2-CZ 3.55Å; D65-R67 VanDerWaalsContact OD2-CZ 3.23Å; D65-R67 IonicContact OD2-NE 2.81Å; D65-R67 PolarHBondContact OD2-NE 2.87Å; D65-R67 IonicContact OD2-NH2 3.22Å; D65-R67 PolarHBondContact OD2-NH2 3.32Å; D65-G93 PolarHBondContact O-N 2.98Å; D65-G93 WeakPolarHBondContact OD1-CA 3.32Å; D65-G93 PolarHBondContact OD1-N 2.82Å
66V98.3Very high95.1Very high0 Ų041 Ų410%022%0.217CC..EExtended strand (participates in β ladder)trans-123.2135.6166.6-167.40000109.9V49 V63 I91 F92 L185 D186V49-V66 HydrophobicContact CG1-CB 4.11Å; V49-V66 HydrophobicContact CG1-CG1 3.69Å; V49-V66 HydrophobicContact CG1-CG2 4.03Å; V49-V66 HydrophobicContact CG2-CG1 4.19Å; V63-V66 HydrophobicContact CG1-CG2 3.96Å; V66-I91 CarbonylContact C-O 3.55Å; V66-I91 VanDerWaalsContact CA-O 3.3Å; V66-I91 WeakPolarHBondContact CA-O 3.41Å; V66-I91 WeakPolarHBondContact CG1-O 3.41Å; V66-F92 HydrophobicContact CG1-CD1 4.15Å; V66-F92 HydrophobicContact CG1-CE1 4.08Å; V66-F92 HydrophobicContact CG1-CG 4.4Å; V66-F92 HydrophobicContact CG1-CZ 4.27Å; V66-F92 HydrophobicContact CG2-CD1 3.74Å; V66-F92 HydrophobicContact CG2-CE1 3.99Å; V66-L185 HydrophobicContact CG1-CD1 4.16Å; V66-L185 WeakPolarHBondContact O-CB 3.41Å; V66-L185 PolarHBondContact O-N 3.43Å; V66-D186 PolarHBondContact N-OD1 2.85Å
67R98.4Very high95.1Very high39 Ų3941.2 Ų41.215%0.14722%0.218CC..EExtended strand (participates in β ladder)trans-131.8141-174.7-58.8171.7177.4-109.1-2.6111.7D65 I91 Q182 I183 E210D65-R67 IonicContact OD1-NE 2.83Å; D65-R67 IonicContact OD2-CZ 3.55Å; D65-R67 VanDerWaalsContact OD2-CZ 3.23Å; D65-R67 IonicContact OD2-NE 2.81Å; D65-R67 PolarHBondContact OD2-NE 2.87Å; D65-R67 IonicContact OD2-NH2 3.22Å; D65-R67 PolarHBondContact OD2-NH2 3.32Å; R67-I91 HydrophobicContact CB-CB 4.3Å; R67-I91 PolarHBondContact N-O 3.06Å; R67-I91 PolarHBondContact O-N 3.49Å; R67-Q182 HydrophobicContact CB-CB 4.4Å; R67-Q182 VanDerWaalsContact CD-OE1 3.23Å; R67-I183 CarbonylContact C-O 3.6Å; R67-I183 WeakPolarHBondContact CA-O 3.26Å; R67-E210 IonicContact CZ-OE2 3.82Å; R67-E210 IonicContact NH1-OE2 3.74Å; R67-E210 PolarHBondContact NH1-OE2 3.43Å; R67-E210 IonicContact NH2-OE2 2.95Å
68L97.9Very high95.1Very high0 Ų039.6 Ų39.60%021%0.21CC..EExtended strand (participates in β ladder)trans-85.6131.3162.9-179.169.7000108.7L22 A72 A73 V76 L90 Q182 I183 L185L22-L68 HydrophobicContact CD1-CD2 3.61Å; L68-A72 HydrophobicContact CD1-CB 3.9Å; L68-A72 HydrophobicContact CD2-CB 4.16Å; L68-A72 HydrophobicContact CG-CB 4.18Å; L68-A73 HydrophobicContact CG-CB 4.5Å; L68-V76 HydrophobicContact CD2-CG2 4.01Å; L68-L90 HydrophobicContact CD1-CD2 4.12Å; L68-Q182 CarbonylContact O-C 3.56Å; L68-Q182 VanDerWaalsContact O-CA 3.27Å; L68-Q182 WeakPolarHBondContact O-CA 3.44Å; L68-I183 HydrophobicContact CB-CB 4.43Å; L68-I183 PolarHBondContact N-O 3.09Å; L68-I183 PolarHBondContact O-N 3.45Å; L68-L185 HydrophobicContact CB-CD1 4.4Å; L68-L185 HydrophobicContact CB-CD2 3.99Å; L68-L185 HydrophobicContact CB-CG 4.47Å
69N95.5Very high94.6Very high22 Ų2238 Ų3812%0.11820%0.203CC..EExtended strand (participates in β ladder)trans-123.8179.4-177.9-170.235.6000111.7D89 I91 F181 Q182N69-D89 HydrophobicContact CB-CB 4.04Å; N69-D89 PolarHBondContact N-O 3.25Å; N69-I91 HydrophobicContact CB-CD1 3.61Å; N69-I91 HydrophobicContact CB-CG1 3.99Å; N69-F181 PolarHBondContact OD1-O 2.88Å; N69-F181 VanDerWaalsContact OD1-O 3.11Å; N69-Q182 HydrophobicContact CB-CG 4.34Å; N69-Q182 WeakPolarHBondContact OD1-CG 3.37Å
70G88.6Confident94Very high9 Ų937.9 Ų37.99%0.09321%0.209CC..Hα-helixtrans71.4-154.3166.200000112.9A72 A73 S74G70-A72 PolarHBondContact O-N 2.89Å; G70-A73 PolarHBondContact O-N 3.41Å; G70-A73 VanDerWaalsContact O-N 3.15Å; G70-S74 PolarHBondContact O-N 3.41Å; G70-S74 PolarHBondContact O-OG 3.21Å
71S89.8Confident93.4Very high34 Ų3434.7 Ų34.724%0.23818%0.176CC..Hα-helixtrans-61.4-27.8-17661.20000113.5S74 H75 Y85 K86S71-S74 PolarHBondContact O-N 3.3Å; S71-H75 WeakPolarHBondContact O-CB 3.4Å; S71-H75 PolarHBondContact O-N 3.38Å; S71-Y85 WeakPolarHBondContact OG-CA 3.41Å; S71-K86 PolarHBondContact OG-N 3.09Å
72A93.6Very high92.6Very high0 Ų035.8 Ų35.80%019%0.189CC..Hα-helixtrans-66.2-43.3176.500000111.8L68 G70 H75 V76 Y85 L88L68-A72 HydrophobicContact CD1-CB 3.9Å; L68-A72 HydrophobicContact CD2-CB 4.16Å; L68-A72 HydrophobicContact CG-CB 4.18Å; G70-A72 PolarHBondContact O-N 2.89Å; A72-H75 PolarHBondContact O-N 3.46Å; A72-V76 WeakPolarHBondContact O-CG2 3.48Å; A72-V76 PolarHBondContact O-N 2.59Å; A72-Y85 HydrophobicContact CB-CD2 4.18Å; A72-Y85 HydrophobicContact CB-CG 4.4Å; A72-L88 HydrophobicContact CB-CD2 3.94Å
73A96.4Very high91.9Very high0 Ų033.7 Ų33.70%017%0.173CC..Hα-helixtrans-61.9-45.517500000111.4L68 G70 H75 V76 L77 F181 I183L68-A73 HydrophobicContact CG-CB 4.5Å; G70-A73 PolarHBondContact O-N 3.41Å; G70-A73 VanDerWaalsContact O-N 3.15Å; A73-H75 VanDerWaalsContact C-N 3.27Å; A73-H75 PolarHBondContact O-N 2.98Å; A73-V76 WeakPolarHBondContact O-CB 3.19Å; A73-V76 PolarHBondContact O-N 3.08Å; A73-L77 WeakPolarHBondContact O-CG 3.49Å; A73-L77 PolarHBondContact O-N 3.01Å; A73-L77 VanDerWaalsContact O-N 3.09Å; A73-F181 HydrophobicContact CB-CB 3.97Å; A73-F181 VanDerWaalsContact CB-O 3.23Å; A73-F181 WeakPolarHBondContact CB-O 3.43Å; A73-I183 HydrophobicContact CB-CD1 4.03Å; A73-I183 HydrophobicContact CB-CG1 4.16Å
74S95.7Very high91.1Very high0 Ų034.7 Ų34.70%019%0.185CC..Hα-helixtrans-60.8-35.9175.4-50.50000112.3G70 S71 L77 H78 N81 V178G70-S74 PolarHBondContact O-N 3.41Å; G70-S74 PolarHBondContact O-OG 3.21Å; S71-S74 PolarHBondContact O-N 3.3Å; S74-L77 PolarHBondContact O-N 2.95Å; S74-H78 PolarHBondContact O-N 3.47Å; S74-N81 PolarHBondContact O-ND2 2.96Å; S74-V178 PolarHBondContact OG-O 3.01Å
75H95.1Very high90.4Very high32 Ų3230.8 Ų30.815%0.14817%0.167CC..Hα-helixtrans-70-37.6176.9-174.369.4000113.1S71 A72 A73 L77 H78 Q79 N81 Y85S71-H75 WeakPolarHBondContact O-CB 3.4Å; S71-H75 PolarHBondContact O-N 3.38Å; A72-H75 PolarHBondContact O-N 3.46Å; A73-H75 VanDerWaalsContact C-N 3.27Å; A73-H75 PolarHBondContact O-N 2.98Å; H75-L77 VanDerWaalsContact C-N 3.32Å; H75-L77 PolarHBondContact O-N 2.93Å; H75-H78 CarbonylContact O-C 3.54Å; H75-Q79 PolarHBondContact ND1-O 2.9Å; H75-Q79 PolarHBondContact O-N 2.76Å; H75-N81 VanDerWaalsContact CA-ND2 3.33Å; H75-N81 WeakPolarHBondContact CA-ND2 3.44Å; H75-N81 PolarHBondContact N-ND2 3.45Å; H75-Y85 HydrophobicContact CB-CD1 3.99Å; H75-Y85 HydrophobicContact CB-CG 4.39Å; H75-Y85 AromaticContact CD2-CD1 3.33Å; H75-Y85 WeakPolarHBondContact CD2-CD1 3.27Å; H75-Y85 AromaticContact CD2-CE1 3.55Å; H75-Y85 AromaticContact CG-CD1 3.61Å; H75-Y85 AromaticContact NE2-CD1 3.87Å; H75-Y85 AromaticContact NE2-CE1 3.8Å
76V96.7Very high89.5Confident0 Ų031.2 Ų31.20%017%0.167CC..Hα-helixtrans-58.8-47.5171.5169.80000110.4L14 Q18 R21 L22 I25 L68 A72 A73 I183L14-V76 HydrophobicContact CD2-CG1 4.1Å; Q18-V76 HydrophobicContact CB-CG1 4.4Å; Q18-V76 VanDerWaalsContact O-CG1 3.31Å; Q18-V76 WeakPolarHBondContact O-CG1 3.45Å; R21-V76 PolarHBondContact NE-O 3.45Å; R21-V76 PolarHBondContact NH2-O 3.26Å; L22-V76 HydrophobicContact CB-CG1 3.89Å; L22-V76 HydrophobicContact CB-CG2 4.26Å; L22-V76 HydrophobicContact CD1-CG2 4.03Å; I25-V76 HydrophobicContact CD1-CG2 3.6Å; L68-V76 HydrophobicContact CD2-CG2 4.01Å; A72-V76 WeakPolarHBondContact O-CG2 3.48Å; A72-V76 PolarHBondContact O-N 2.59Å; A73-V76 WeakPolarHBondContact O-CB 3.19Å; A73-V76 PolarHBondContact O-N 3.08Å; V76-I183 HydrophobicContact CB-CD1 3.66Å; V76-I183 HydrophobicContact CG1-CD1 3.55Å; V76-I183 HydrophobicContact CG2-CD1 4.21Å
77L96.8Very high88.9Confident4 Ų432.3 Ų32.32%0.02117%0.173CC..Hα-helixtrans-68.8-42.6-177-64.3177.7000112.2L14 Q18 A73 S74 H75 F181 I183 F216 M220L14-L77 HydrophobicContact CD1-CD2 4.09Å; L14-L77 HydrophobicContact CD2-CD2 4.31Å; L14-L77 HydrophobicContact CG-CD2 3.99Å; Q18-L77 PolarHBondContact NE2-O 2.93Å; Q18-L77 VanDerWaalsContact NE2-O 3.1Å; A73-L77 WeakPolarHBondContact O-CG 3.49Å; A73-L77 PolarHBondContact O-N 3.01Å; A73-L77 VanDerWaalsContact O-N 3.09Å; S74-L77 PolarHBondContact O-N 2.95Å; H75-L77 VanDerWaalsContact C-N 3.32Å; H75-L77 PolarHBondContact O-N 2.93Å; L77-F181 HydrophobicContact CD1-CB 3.72Å; L77-F181 HydrophobicContact CD1-CD1 3.25Å; L77-F181 HydrophobicContact CD1-CD2 3.96Å; L77-F181 HydrophobicContact CD1-CE1 3.71Å; L77-F181 HydrophobicContact CD1-CE2 4.37Å; L77-F181 HydrophobicContact CD1-CG 3.36Å; L77-F181 HydrophobicContact CD1-CZ 4.22Å; L77-I183 HydrophobicContact CD2-CD1 4.4Å; L77-I183 HydrophobicContact CG-CD1 4.36Å; L77-F216 HydrophobicContact CD1-CE1 4.49Å; L77-F216 HydrophobicContact CD1-CE2 4.26Å; L77-F216 HydrophobicContact CD1-CZ 3.67Å; L77-F216 HydrophobicContact CD2-CZ 3.93Å; L77-F216 HydrophobicContact CG-CZ 4.46Å; L77-M220 HydrophobicContact CB-CE 4.29Å; L77-M220 HydrophobicContact CB-SD 4.02Å; L77-M220 WeakPolarHBondContact O-CE 3.25Å
78H94.4Very high88.6Confident52 Ų5230.7 Ų30.724%0.24117%0.168CC..  trans-143.3108.2-179.9-168.261.9000111.5S74 H75 E80 N81 M220 L223S74-H78 PolarHBondContact O-N 3.47Å; H75-H78 CarbonylContact O-C 3.54Å; H78-E80 PolarHBondContact O-N 2.79Å; H78-N81 WeakPolarHBondContact O-CB 3.36Å; H78-N81 PolarHBondContact O-N 2.93Å; H78-N81 PolarHBondContact O-ND2 2.81Å; H78-M220 HydrophobicContact CB-CE 3.92Å; H78-L223 HydrophobicContact CB-CD2 3.72Å; H78-L223 HydrophobicContact CB-CG 4.18Å
79Q86.9Confident88.5Confident120 Ų12032.3 Ų32.356%0.56118%0.176SC*.THydrogen-bonded Turntrans-64.2-41.7-173.3-171176.31.200112.8H75 N81H75-Q79 PolarHBondContact ND1-O 2.9Å; H75-Q79 PolarHBondContact O-N 2.76Å; Q79-N81 PolarHBondContact O-N 2.84Å
80E81.1Confident88.6Confident154 Ų15431.3 Ų31.372%0.7217%0.171SC*.THydrogen-bonded Turntrans-87.730.1-177.4-61.5-170.7169.100113.7H78 G82 R226H78-E80 PolarHBondContact O-N 2.79Å; E80-G82 PolarHBondContact O-N 3.47Å; E80-R226 PolarHBondContact O-NH2 3.18Å
81N79.4Confident89.1Confident1 Ų131.4 Ų31.41%0.00517%0.169CC..  trans-64.7-9.2-178.76527000114.9S74 H75 H78 Q79 L83 G84 L223 F252S74-N81 PolarHBondContact O-ND2 2.96Å; H75-N81 VanDerWaalsContact CA-ND2 3.33Å; H75-N81 WeakPolarHBondContact CA-ND2 3.44Å; H75-N81 PolarHBondContact N-ND2 3.45Å; H78-N81 WeakPolarHBondContact O-CB 3.36Å; H78-N81 PolarHBondContact O-N 2.93Å; H78-N81 PolarHBondContact O-ND2 2.81Å; Q79-N81 PolarHBondContact O-N 2.84Å; N81-L83 PolarHBondContact O-N 3.02Å; N81-L83 VanDerWaalsContact O-N 3.08Å; N81-L83 WeakPolarHBondContact OD1-CA 3.15Å; N81-L83 WeakPolarHBondContact OD1-CB 3.38Å; N81-L83 PolarHBondContact OD1-N 3.46Å; N81-G84 PolarHBondContact OD1-N 2.91Å; N81-L223 HydrophobicContact CB-CD1 3.78Å; N81-L223 HydrophobicContact CB-CG 4.19Å; N81-F252 WeakPolarHBondContact O-CZ 3.32Å
82G76.8Confident89.5Confident35 Ų3529.8 Ų29.836%0.36116%0.158SC..SBendtrans70.5-3.1-179.100000115E80 R250E80-G82 PolarHBondContact O-N 3.47Å; G82-R250 WeakPolarHBondContact O-CD 3.3Å
83L78.3Confident89.7Confident36 Ų3630.2 Ų30.219%0.18816%0.162CC..SBendtrans-92.4-28.1176.4-59.2177.2000111.6N81 V178 L223 L247 F252N81-L83 PolarHBondContact O-N 3.02Å; N81-L83 VanDerWaalsContact O-N 3.08Å; N81-L83 WeakPolarHBondContact OD1-CA 3.15Å; N81-L83 WeakPolarHBondContact OD1-CB 3.38Å; N81-L83 PolarHBondContact OD1-N 3.46Å; L83-V178 HydrophobicContact CD1-CG2 4.46Å; L83-L223 HydrophobicContact CD1-CD1 4.45Å; L83-L247 HydrophobicContact CD1-CD2 4.46Å; L83-L247 HydrophobicContact CD2-CD2 3.64Å; L83-F252 HydrophobicContact CD1-CE1 4.49Å; L83-F252 HydrophobicContact CD1-CE2 4.49Å; L83-F252 HydrophobicContact CD1-CZ 3.88Å; L83-F252 HydrophobicContact CD2-CD2 4.27Å; L83-F252 HydrophobicContact CD2-CE2 3.45Å; L83-F252 VanDerWaalsContact CD2-CE2 3.45Å; L83-F252 HydrophobicContact CD2-CZ 3.69Å; L83-F252 HydrophobicContact CG-CE2 3.86Å; L83-F252 HydrophobicContact CG-CZ 3.65Å
84G81.1Confident89.7Confident31 Ų3130.2 Ų30.232%0.3216%0.162SC..  trans62.6-161.2-164.500000110.5N81N81-G84 PolarHBondContact OD1-N 2.91Å
85Y81.6Confident89.6Confident43 Ų4331.8 Ų31.817%0.16917%0.173CC..  trans-136138.2163.369.9-77.7000109.4S71 A72 H75 L88S71-Y85 WeakPolarHBondContact OG-CA 3.41Å; A72-Y85 HydrophobicContact CB-CD2 4.18Å; A72-Y85 HydrophobicContact CB-CG 4.4Å; H75-Y85 HydrophobicContact CB-CD1 3.99Å; H75-Y85 HydrophobicContact CB-CG 4.39Å; H75-Y85 AromaticContact CD2-CD1 3.33Å; H75-Y85 WeakPolarHBondContact CD2-CD1 3.27Å; H75-Y85 AromaticContact CD2-CE1 3.55Å; H75-Y85 AromaticContact CG-CD1 3.61Å; H75-Y85 AromaticContact NE2-CD1 3.87Å; H75-Y85 AromaticContact NE2-CE1 3.8Å; Y85-L88 HydrophobicContact CD2-CD2 4.14Å; Y85-L88 HydrophobicContact CE2-CD2 4.03Å
86K77.6Confident89.4Confident43 Ų4330.2 Ų30.219%0.18717%0.166CC..  trans-103.3-76.7-177.3-175.9-168.2164.6-1590109.2S71 G159 K160 N291S71-K86 PolarHBondContact OG-N 3.09Å; K86-G159 WeakPolarHBondContact CE-O 3.41Å; K86-G159 WeakPolarHBondContact CG-O 3.27Å; K86-K160 WeakPolarHBondContact O-CA 3.27Å; K86-K160 WeakPolarHBondContact O-CB 3.37Å; K86-K160 VanDerWaalsContact O-CG 3.3Å; K86-K160 WeakPolarHBondContact O-CG 3.1Å; K86-N291 VanDerWaalsContact CD-O 3.22Å; K86-N291 WeakPolarHBondContact CD-O 3.45Å; K86-N291 WeakPolarHBondContact CE-O 3.46Å; K86-N291 PolarHBondContact NZ-O 3.47Å
87D85.3Confident88.9Confident23 Ų2338 Ų3812%0.12320%0.2CC..SBendtrans-89.4149.3-178.3-57.3-52.8000110.4N161 E163D87-N161 CarbonylContact C-O 3.54Å; D87-N161 WeakPolarHBondContact CA-O 3.49Å; D87-N161 VanDerWaalsContact OD1-CB 3.3Å; D87-N161 WeakPolarHBondContact OD1-CB 3.32Å; D87-N161 PolarHBondContact OD1-N 2.86Å; D87-N161 PolarHBondContact OD1-ND2 3.23Å; D87-N161 VanDerWaalsContact OD1-ND2 3.16Å; D87-E163 HydrophobicContact CB-CG 4.36Å
88L92.5Very high88.6Confident6 Ų641.5 Ų41.53%0.03122%0.218CC..EExtended strand (participates in β ladder)trans-94.994.7171.4-73.1177.9000108.8I25 V30 P45 A72 Y85 L90 N161 V162 E163I25-L88 HydrophobicContact CG2-CD2 3.69Å; V30-L88 HydrophobicContact CG1-CD1 3.96Å; P45-L88 HydrophobicContact CB-CD1 4.34Å; P45-L88 HydrophobicContact CG-CD1 3.49Å; P45-L88 VanDerWaalsContact CG-CD1 3.49Å; A72-L88 HydrophobicContact CB-CD2 3.94Å; Y85-L88 HydrophobicContact CD2-CD2 4.14Å; Y85-L88 HydrophobicContact CE2-CD2 4.03Å; L88-L90 PolarHBondContact O-N 2.62Å; L88-N161 PolarHBondContact N-O 2.68Å; L88-V162 HydrophobicContact CD1-CG2 4.48Å; L88-E163 PolarHBondContact O-N 2.77Å
89D95.3Very high88.5Confident34 Ų3443.1 Ų43.118%0.18223%0.229CC..EExtended strand (participates in β ladder)trans-86.3105.2-178.4-61-59.1000110.9N69N69-D89 HydrophobicContact CB-CB 4.04Å; N69-D89 PolarHBondContact N-O 3.25Å
90L97.9Very high88.8Confident1 Ų143.4 Ų43.41%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-104.8115.4177.9-64.5168.4000109.8P45 V49 L68 L88 F92 V162 E163 L164 K165 L185P45-L90 HydrophobicContact CB-CD1 4.5Å; V49-L90 HydrophobicContact CG2-CD1 3.7Å; V49-L90 HydrophobicContact CG2-CD2 3.96Å; V49-L90 HydrophobicContact CG2-CG 4.32Å; L68-L90 HydrophobicContact CD1-CD2 4.12Å; L88-L90 PolarHBondContact O-N 2.62Å; L90-F92 HydrophobicContact CB-CE2 4.13Å; L90-V162 HydrophobicContact CD1-CG1 4.28Å; L90-E163 PolarHBondContact N-O 3.49Å; L90-L164 HydrophobicContact CB-CD2 4.12Å; L90-L164 HydrophobicContact CD1-CD2 3.76Å; L90-K165 PolarHBondContact O-N 2.88Å; L90-L185 HydrophobicContact CD2-CD1 3.94Å
91I98.4Very high89.4Confident11 Ų1136.6 Ų36.66%0.05620%0.2CC..EExtended strand (participates in β ladder)trans-98123.1177.5-61.1-179.4000109.5V66 R67 N69 K165 V167V66-I91 CarbonylContact C-O 3.55Å; V66-I91 VanDerWaalsContact CA-O 3.3Å; V66-I91 WeakPolarHBondContact CA-O 3.41Å; V66-I91 WeakPolarHBondContact CG1-O 3.41Å; R67-I91 HydrophobicContact CB-CB 4.3Å; R67-I91 PolarHBondContact N-O 3.06Å; R67-I91 PolarHBondContact O-N 3.49Å; N69-I91 HydrophobicContact CB-CD1 3.61Å; N69-I91 HydrophobicContact CB-CG1 3.99Å; I91-K165 CarbonylContact C-O 3.51Å; I91-K165 VanDerWaalsContact CA-O 3.3Å; I91-K165 WeakPolarHBondContact CA-O 3.45Å; I91-K165 HydrophobicContact CG1-CB 4.31Å; I91-K165 HydrophobicContact CG1-CD 4.4Å; I91-V167 HydrophobicContact CG2-CB 4.19Å; I91-V167 HydrophobicContact CG2-CG2 3.83Å
92F98.6Very high90.1Very high0 Ų037 Ų370%020%0.202CC..EExtended strand (participates in β ladder)trans-102.2113.6168.7-63.6-103.3000108.2V49 V52 V63 V66 L90 V94 L164 K165 F166 V167V49-F92 HydrophobicContact CB-CZ 4.39Å; V49-F92 HydrophobicContact CG1-CE1 4.24Å; V49-F92 HydrophobicContact CG1-CZ 4.4Å; V49-F92 HydrophobicContact CG2-CZ 4.07Å; V52-F92 HydrophobicContact CB-CE1 4.21Å; V52-F92 HydrophobicContact CB-CZ 4.19Å; V52-F92 HydrophobicContact CG1-CD1 4.47Å; V52-F92 HydrophobicContact CG1-CE1 3.88Å; V52-F92 HydrophobicContact CG1-CZ 3.96Å; V63-F92 HydrophobicContact CG1-CD1 4.29Å; V66-F92 HydrophobicContact CG1-CD1 4.15Å; V66-F92 HydrophobicContact CG1-CE1 4.08Å; V66-F92 HydrophobicContact CG1-CG 4.4Å; V66-F92 HydrophobicContact CG1-CZ 4.27Å; V66-F92 HydrophobicContact CG2-CD1 3.74Å; V66-F92 HydrophobicContact CG2-CE1 3.99Å; L90-F92 HydrophobicContact CB-CE2 4.13Å; F92-V94 HydrophobicContact CB-CG1 4.07Å; F92-V94 PolarHBondContact O-N 3.05Å; F92-L164 HydrophobicContact CE2-CB 4.45Å; F92-L164 HydrophobicContact CE2-CD2 3.99Å; F92-K165 PolarHBondContact N-O 3.11Å; F92-F166 HydrophobicContact CB-CD1 3.68Å; F92-F166 HydrophobicContact CB-CE1 4.02Å; F92-F166 HydrophobicContact CD1-CE1 4.3Å; F92-F166 HydrophobicContact CD2-CD1 4.1Å; F92-F166 AromaticContact CD2-CE1 3.71Å; F92-F166 HydrophobicContact CD2-CE1 3.71Å; F92-F166 HydrophobicContact CD2-CZ 4.16Å; F92-F166 HydrophobicContact CE2-CE1 4.25Å; F92-F166 HydrophobicContact CE2-CZ 4.4Å; F92-F166 AromaticContact CG-CD1 3.96Å; F92-F166 HydrophobicContact CG-CD1 3.96Å; F92-F166 AromaticContact CG-CE1 3.75Å; F92-F166 HydrophobicContact CG-CE1 3.75Å; F92-F166 WeakPolarHBondContact O-CA 3.27Å; F92-V167 PolarHBondContact O-N 2.89Å
93G97.9Very high91Very high8 Ų842.3 Ų42.38%0.08221%0.211CC..EExtended strand (participates in β ladder)trans-72.1106.7169.700000109.5V63 K64 D65 V167V63-G93 CarbonylContact C-O 3.48Å; V63-G93 WeakPolarHBondContact CA-O 3.46Å; K64-G93 PolarHBondContact N-O 3.29Å; D65-G93 PolarHBondContact O-N 2.98Å; D65-G93 WeakPolarHBondContact OD1-CA 3.32Å; D65-G93 PolarHBondContact OD1-N 2.82Å; G93-V167 WeakPolarHBondContact CA-O 3.48Å
94V97.1Very high91.8Very high0 Ų042.2 Ų42.20%021%0.211CC..EExtended strand (participates in β ladder)trans-128.1163.9-174.9-68.70000111.3L56 V61 C62 V63 F92 L96 F166 V167 D168L56-V94 HydrophobicContact CD1-CG1 4.33Å; V61-V94 HydrophobicContact CG1-CB 4.11Å; V61-V94 HydrophobicContact CG1-CG1 4.11Å; C62-V94 WeakPolarHBondContact O-CA 3.49Å; V63-V94 HydrophobicContact CG2-CG1 4.09Å; F92-V94 HydrophobicContact CB-CG1 4.07Å; F92-V94 PolarHBondContact O-N 3.05Å; V94-L96 HydrophobicContact CG2-CD1 4.13Å; V94-L96 HydrophobicContact CG2-CD2 3.91Å; V94-L96 HydrophobicContact CG2-CG 3.79Å; V94-F166 HydrophobicContact CG1-CD1 4.41Å; V94-F166 HydrophobicContact CG2-CB 3.78Å; V94-V167 PolarHBondContact N-O 3.28Å; V94-D168 WeakPolarHBondContact O-CA 3.31Å; V94-D168 WeakPolarHBondContact O-CB 3.44Å
95S92.4Very high92.6Very high33 Ų3340.8 Ų40.823%0.23120%0.195CC..  trans-97.1114.9170.3-169.50000110.5K97S95-K97 WeakPolarHBondContact OG-CE 3.46Å; S95-K97 WeakPolarHBondContact OG-CG 3.47Å
96L92.2Very high93.3Very high0 Ų041.9 Ų41.90%020%0.201CC..  trans-110.864.3-177.3-62.9174.7000109.8V94 D98 A101 F102 V105 R148 D168V94-L96 HydrophobicContact CG2-CD1 4.13Å; V94-L96 HydrophobicContact CG2-CD2 3.91Å; V94-L96 HydrophobicContact CG2-CG 3.79Å; L96-D98 VanDerWaalsContact C-N 3.31Å; L96-D98 PolarHBondContact O-N 3.04Å; L96-A101 HydrophobicContact CD2-CB 4.12Å; L96-F102 HydrophobicContact CB-CE2 3.97Å; L96-F102 HydrophobicContact CB-CZ 3.99Å; L96-F102 HydrophobicContact CD1-CD1 4.32Å; L96-F102 HydrophobicContact CD1-CE1 3.72Å; L96-F102 HydrophobicContact CD1-CZ 3.86Å; L96-F102 HydrophobicContact CG-CZ 4.46Å; L96-V105 HydrophobicContact CD2-CG2 3.98Å; L96-R148 VanDerWaalsContact O-CZ 3.31Å; L96-R148 PolarHBondContact O-NE 3.4Å; L96-R148 PolarHBondContact O-NH2 2.96Å; L96-D168 HydrophobicContact CB-CB 3.84Å; L96-D168 HydrophobicContact CD1-CB 4.25Å; L96-D168 HydrophobicContact CG-CB 4.06Å; L96-D168 PolarHBondContact N-OD2 2.83Å
97K86.4Confident94.2Very high163 Ų16342.6 Ų42.671%0.70921%0.207SC*.  trans-65.1-30.8-172.5-61-176.9-178.2176.40114S95 R148S95-K97 WeakPolarHBondContact OG-CE 3.46Å; S95-K97 WeakPolarHBondContact OG-CG 3.47Å; K97-R148 PolarHBondContact O-NH2 3.45Å
98D89Confident94.8Very high78 Ų7841.7 Ų41.742%0.41720%0.202SC..SBendtrans-151.2176.6-174.759.636000112.6L96 Q100 A101 F102L96-D98 VanDerWaalsContact C-N 3.31Å; L96-D98 PolarHBondContact O-N 3.04Å; D98-Q100 PolarHBondContact O-N 2.9Å; D98-Q100 WeakPolarHBondContact OD1-CA 3.12Å; D98-Q100 VanDerWaalsContact OD1-CB 3.27Å; D98-Q100 WeakPolarHBondContact OD1-CB 3.38Å; D98-Q100 PolarHBondContact OD1-N 3.28Å; D98-A101 WeakPolarHBondContact O-CB 3.37Å; D98-A101 PolarHBondContact O-N 3.48Å; D98-A101 PolarHBondContact OD1-N 2.9Å; D98-F102 VanDerWaalsContact O-CD2 3.28Å; D98-F102 WeakPolarHBondContact O-CD2 3.21Å; D98-F102 PolarHBondContact O-N 3.5Å
99D92.3Very high95Very high85 Ų8541.5 Ų41.546%0.45520%0.201SC..Hα-helixtrans-66.7-16.8177.6-90.918.8000114.3R103 K141D99-R103 WeakPolarHBondContact O-CG 3.38Å; D99-R103 PolarHBondContact O-N 3.22Å; D99-R103 PolarHBondContact O-NE 3.46Å; D99-K141 IonicContact OD1-NZ 3Å; D99-K141 PolarHBondContact OD1-NZ 3.42Å; D99-K141 IonicContact OD2-NZ 3.45Å; D99-K141 PolarHBondContact OD2-NZ 3.24Å
100Q93.2Very high95Very high126 Ų12640.1 Ų40.159%0.58919%0.194SC*.Hα-helixtrans-74.5-41.7173.3-178.8176.6-6.600110.1D98 F102 R103 L104D98-Q100 PolarHBondContact O-N 2.9Å; D98-Q100 WeakPolarHBondContact OD1-CA 3.12Å; D98-Q100 VanDerWaalsContact OD1-CB 3.27Å; D98-Q100 WeakPolarHBondContact OD1-CB 3.38Å; D98-Q100 PolarHBondContact OD1-N 3.28Å; Q100-F102 VanDerWaalsContact C-N 3.33Å; Q100-F102 PolarHBondContact O-N 2.87Å; Q100-R103 PolarHBondContact O-N 3.19Å; Q100-L104 WeakPolarHBondContact O-CB 3.35Å; Q100-L104 PolarHBondContact O-N 3.36Å
101A93.5Very high94.9Very high11 Ų1142.9 Ų42.99%0.09121%0.209CC..Hα-helixtrans-58.9-43.2174.900000111.9L96 D98 R103 L104 V105L96-A101 HydrophobicContact CD2-CB 4.12Å; D98-A101 WeakPolarHBondContact O-CB 3.37Å; D98-A101 PolarHBondContact O-N 3.48Å; D98-A101 PolarHBondContact OD1-N 2.9Å; A101-R103 PolarHBondContact O-N 3.22Å; A101-L104 PolarHBondContact O-N 3.37Å; A101-V105 WeakPolarHBondContact O-CG2 3.41Å; A101-V105 PolarHBondContact O-N 2.92Å
102F95.5Very high94.7Very high9 Ų942.4 Ų42.44%0.03921%0.207CC..Hα-helixtrans-60.9-42.4175.1-77.7-82.8000113L96 D98 Q100 K106 K141 C143L96-F102 HydrophobicContact CB-CE2 3.97Å; L96-F102 HydrophobicContact CB-CZ 3.99Å; L96-F102 HydrophobicContact CD1-CD1 4.32Å; L96-F102 HydrophobicContact CD1-CE1 3.72Å; L96-F102 HydrophobicContact CD1-CZ 3.86Å; L96-F102 HydrophobicContact CG-CZ 4.46Å; D98-F102 VanDerWaalsContact O-CD2 3.28Å; D98-F102 WeakPolarHBondContact O-CD2 3.21Å; D98-F102 PolarHBondContact O-N 3.5Å; Q100-F102 VanDerWaalsContact C-N 3.33Å; Q100-F102 PolarHBondContact O-N 2.87Å; F102-K106 PolarHBondContact O-N 3.45Å; F102-K141 HydrophobicContact CB-CD 4.43Å; F102-K141 HydrophobicContact CD1-CD 4.16Å; F102-K141 HydrophobicContact CD1-CG 3.77Å; F102-K141 HydrophobicContact CE1-CG 3.9Å; F102-K141 HydrophobicContact CG-CD 4.22Å; F102-K141 HydrophobicContact CG-CG 4.32Å; F102-C143 HydrophobicContact CE2-CB 4.2Å; F102-C143 HydrophobicContact CZ-CB 4.06Å
103R95.3Very high94.5Very high148 Ų14842.5 Ų42.556%0.55821%0.207SC*.Hα-helixtrans-65.4-45.6177.2-77.4179.5-76.7155.8-6.3110.9D99 Q100 A101 V105 K106 D107D99-R103 WeakPolarHBondContact O-CG 3.38Å; D99-R103 PolarHBondContact O-N 3.22Å; D99-R103 PolarHBondContact O-NE 3.46Å; Q100-R103 PolarHBondContact O-N 3.19Å; A101-R103 PolarHBondContact O-N 3.22Å; R103-V105 PolarHBondContact O-N 3.41Å; R103-K106 PolarHBondContact O-N 3.19Å; R103-D107 WeakPolarHBondContact O-CB 3.35Å; R103-D107 PolarHBondContact O-N 3.21Å
104L95.9Very high94.3Very high34 Ų3444.1 Ų44.118%0.17821%0.213CC..Hα-helixtrans-58.9-45.6178.5-166.990.4000111.9R59 V61 Q100 A101 K106 D107 V108R59-L104 HydrophobicContact CB-CD1 4Å; R59-L104 HydrophobicContact CB-CD2 3.7Å; R59-L104 HydrophobicContact CB-CG 4.15Å; R59-L104 HydrophobicContact CG-CD1 4.48Å; V61-L104 HydrophobicContact CB-CD2 4.14Å; V61-L104 HydrophobicContact CG2-CD2 3.23Å; Q100-L104 WeakPolarHBondContact O-CB 3.35Å; Q100-L104 PolarHBondContact O-N 3.36Å; A101-L104 PolarHBondContact O-N 3.37Å; L104-K106 VanDerWaalsContact C-N 3.33Å; L104-K106 PolarHBondContact O-N 3.2Å; L104-D107 PolarHBondContact O-N 3.45Å; L104-V108 HydrophobicContact CG-CG2 4.41Å; L104-V108 WeakPolarHBondContact O-CB 3.33Å; L104-V108 VanDerWaalsContact O-CG2 3.31Å; L104-V108 WeakPolarHBondContact O-CG2 3.34Å; L104-V108 PolarHBondContact O-N 3.48Å
105V96.9Very high94Very high0 Ų047.2 Ų47.20%023%0.23CC..Hα-helixtrans-56.8-48.1176164.10000111.2L56 L96 A101 R103 V108 V109 F166L56-V105 HydrophobicContact CD2-CB 4.47Å; L56-V105 HydrophobicContact CD2-CG2 3.86Å; L96-V105 HydrophobicContact CD2-CG2 3.98Å; A101-V105 WeakPolarHBondContact O-CG2 3.41Å; A101-V105 PolarHBondContact O-N 2.92Å; R103-V105 PolarHBondContact O-N 3.41Å; V105-V108 PolarHBondContact O-N 2.92Å; V105-V109 WeakPolarHBondContact O-CG2 3.33Å; V105-V109 PolarHBondContact O-N 2.95Å; V105-V109 VanDerWaalsContact O-N 3.09Å; V105-F166 HydrophobicContact CG1-CB 3.99Å; V105-F166 HydrophobicContact CG1-CD1 3.68Å; V105-F166 HydrophobicContact CG1-CD2 3.32Å; V105-F166 HydrophobicContact CG1-CE1 3.98Å; V105-F166 HydrophobicContact CG1-CE2 3.62Å; V105-F166 HydrophobicContact CG1-CG 3.35Å; V105-F166 HydrophobicContact CG1-CZ 3.95Å; V105-F166 HydrophobicContact CG2-CD1 4.42Å
106K96.9Very high94Very high66 Ų6646.6 Ų46.629%0.28722%0.223SC..Hα-helixtrans-62.4-45.6178.4-179.1-147.467.6175.50111F102 R103 L104 V109 L110 L139 I152F102-K106 PolarHBondContact O-N 3.45Å; R103-K106 PolarHBondContact O-N 3.19Å; L104-K106 VanDerWaalsContact C-N 3.33Å; L104-K106 PolarHBondContact O-N 3.2Å; K106-V109 PolarHBondContact O-N 3.33Å; K106-L110 HydrophobicContact CD-CD1 4.44Å; K106-L110 HydrophobicContact CG-CD1 4.14Å; K106-L110 VanDerWaalsContact O-CG 3.26Å; K106-L110 WeakPolarHBondContact O-CG 3.33Å; K106-L110 PolarHBondContact O-N 3.23Å; K106-L110 VanDerWaalsContact O-N 3.1Å; K106-L139 HydrophobicContact CD-CD2 4.38Å; K106-L139 HydrophobicContact CG-CD1 4.43Å; K106-I152 HydrophobicContact CB-CD1 4.48Å
107D96.2Very high94.1Very high58 Ų5847.1 Ų47.131%0.3123%0.226SC..Hα-helixtrans-65.3-43.3-179.2-63.5-18.7000110.9R103 L104 V109 L110 D111R103-D107 WeakPolarHBondContact O-CB 3.35Å; R103-D107 PolarHBondContact O-N 3.21Å; L104-D107 PolarHBondContact O-N 3.45Å; D107-V109 PolarHBondContact O-N 3.21Å; D107-L110 PolarHBondContact O-N 3.4Å; D107-D111 WeakPolarHBondContact O-CB 3.18Å; D107-D111 PolarHBondContact O-N 3.39Å
108V97.2Very high94.3Very high4 Ų442.1 Ų42.12%0.02421%0.21CC..Hα-helixtrans-57.6-48.7175.6165.40000111.6R55 L56 R59 L104 V105 L110 D111 C112R55-V108 HydrophobicContact CB-CG1 3.59Å; L56-V108 HydrophobicContact CD2-CB 4.1Å; L56-V108 HydrophobicContact CD2-CG1 4.07Å; L56-V108 HydrophobicContact CD2-CG2 4.17Å; L56-V108 HydrophobicContact CG-CG1 4.05Å; R59-V108 HydrophobicContact CG-CG2 4.19Å; L104-V108 HydrophobicContact CG-CG2 4.41Å; L104-V108 WeakPolarHBondContact O-CB 3.33Å; L104-V108 VanDerWaalsContact O-CG2 3.31Å; L104-V108 WeakPolarHBondContact O-CG2 3.34Å; L104-V108 PolarHBondContact O-N 3.48Å; V105-V108 PolarHBondContact O-N 2.92Å; V108-L110 VanDerWaalsContact C-N 3.34Å; V108-L110 PolarHBondContact O-N 2.97Å; V108-D111 PolarHBondContact O-N 3.34Å; V108-C112 PolarHBondContact O-N 3.13Å; V108-C112 PolarHBondContact O-SG 2.98Å
109V97Very high94.2Very high2 Ų243.6 Ų43.61%0.01223%0.233CC..Hα-helixtrans-62.8-42.6179.9171.20000111.4V52 V105 K106 D107 C112 L113 I152 L164 F166V52-V109 HydrophobicContact CG1-CG2 4.27Å; V52-V109 HydrophobicContact CG2-CG2 4.44Å; V105-V109 WeakPolarHBondContact O-CG2 3.33Å; V105-V109 PolarHBondContact O-N 2.95Å; V105-V109 VanDerWaalsContact O-N 3.09Å; K106-V109 PolarHBondContact O-N 3.33Å; D107-V109 PolarHBondContact O-N 3.21Å; V109-C112 WeakPolarHBondContact O-CB 3.28Å; V109-C112 PolarHBondContact O-N 2.97Å; V109-L113 PolarHBondContact O-N 3.21Å; V109-I152 HydrophobicContact CB-CD1 3.79Å; V109-I152 HydrophobicContact CG1-CD1 3.93Å; V109-I152 HydrophobicContact CG1-CG2 4.14Å; V109-I152 HydrophobicContact CG2-CD1 3.94Å; V109-L164 HydrophobicContact CG1-CD1 3.77Å; V109-L164 HydrophobicContact CG2-CD1 4.13Å; V109-F166 HydrophobicContact CG2-CE1 4.45Å; V109-F166 HydrophobicContact CG2-CE2 3.83Å; V109-F166 HydrophobicContact CG2-CZ 3.43Å; V109-F166 VanDerWaalsContact CG2-CZ 3.43Å
110L96.2Very high93.7Very high5 Ų543.8 Ų43.83%0.02626%0.255CS..Hα-helixtrans-64.3-41.2177.1-66.1173.6000111.4K106 D107 V108 C112 L113 A128 L131 K132 V136K106-L110 HydrophobicContact CD-CD1 4.44Å; K106-L110 HydrophobicContact CG-CD1 4.14Å; K106-L110 VanDerWaalsContact O-CG 3.26Å; K106-L110 WeakPolarHBondContact O-CG 3.33Å; K106-L110 PolarHBondContact O-N 3.23Å; K106-L110 VanDerWaalsContact O-N 3.1Å; D107-L110 PolarHBondContact O-N 3.4Å; V108-L110 VanDerWaalsContact C-N 3.34Å; V108-L110 PolarHBondContact O-N 2.97Å; L110-C112 VanDerWaalsContact C-N 3.29Å; L110-C112 PolarHBondContact O-N 2.8Å; L110-L113 HydrophobicContact CD2-CD1 4.18Å; L110-L113 WeakPolarHBondContact O-CB 3.39Å; L110-L113 PolarHBondContact O-N 3.49Å; L110-A128 HydrophobicContact CB-CB 4.36Å; L110-A128 HydrophobicContact CD1-CB 4.04Å; L110-L131 HydrophobicContact CD2-CB 4.35Å; L110-L131 VanDerWaalsContact O-CD1 3.26Å; L110-L131 WeakPolarHBondContact O-CD1 3.37Å; L110-K132 HydrophobicContact CD1-CB 4.25Å; L110-K132 HydrophobicContact CD2-CB 3.93Å; L110-V136 HydrophobicContact CD2-CG2 3.92Å
111D94.7Very high93.4Very high60 Ų6040.1 Ų40.132%0.32124%0.242SC..Hα-helixtrans-63.7-35.2175.5-69-17000111.4R55 D107 V108 L113 L114R55-D111 PolarHBondContact NH1-O 2.81Å; D107-D111 WeakPolarHBondContact O-CB 3.18Å; D107-D111 PolarHBondContact O-N 3.39Å; V108-D111 PolarHBondContact O-N 3.34Å; D111-L113 VanDerWaalsContact C-N 3.34Å; D111-L114 VanDerWaalsContact O-CB 3.29Å; D111-L114 WeakPolarHBondContact O-CB 3.45Å; D111-L114 PolarHBondContact O-N 2.67Å
112C94.9Very high93.1Very high1 Ų143.2 Ų43.21%0.00726%0.262CS..Hα-helixtrans-64.5-37.4175.1-63.20000112.1V51 V52 R55 V108 V109 L110 L114 D115 F116V51-C112 HydrophobicContact CG1-CB 4.2Å; V52-C112 HydrophobicContact CG2-CB 4.24Å; R55-C112 VanDerWaalsContact CD-SG 3.57Å; V108-C112 PolarHBondContact O-N 3.13Å; V108-C112 PolarHBondContact O-SG 2.98Å; V109-C112 WeakPolarHBondContact O-CB 3.28Å; V109-C112 PolarHBondContact O-N 2.97Å; L110-C112 VanDerWaalsContact C-N 3.29Å; L110-C112 PolarHBondContact O-N 2.8Å; C112-L114 PolarHBondContact O-N 3.45Å; C112-D115 WeakPolarHBondContact O-CB 3.46Å; C112-D115 PolarHBondContact O-N 3.37Å; C112-F116 HydrophobicContact CB-CE2 4.1Å; C112-F116 VanDerWaalsContact O-CD2 3.23Å; C112-F116 WeakPolarHBondContact O-CD2 3.23Å; C112-F116 PolarHBondContact O-N 3.04Å
113L94.7Very high92.7Very high2 Ų246.9 Ų46.91%0.0128%0.278CS..Hα-helixtrans-60.4-30176.6-65.1174.8000112.2L41 V109 L110 D111 D115 F116 L131 Y135 L154L41-L113 HydrophobicContact CD1-CD2 3.96Å; V109-L113 PolarHBondContact O-N 3.21Å; L110-L113 HydrophobicContact CD2-CD1 4.18Å; L110-L113 WeakPolarHBondContact O-CB 3.39Å; L110-L113 PolarHBondContact O-N 3.49Å; D111-L113 VanDerWaalsContact C-N 3.34Å; L113-D115 VanDerWaalsContact C-N 3.29Å; L113-D115 PolarHBondContact O-N 3.45Å; L113-F116 HydrophobicContact CD2-CD2 4.42Å; L113-F116 PolarHBondContact O-N 3.37Å; L113-L131 HydrophobicContact CB-CD2 4.47Å; L113-Y135 HydrophobicContact CD1-CD2 4.44Å; L113-L154 HydrophobicContact CD1-CD2 4.2Å; L113-L154 HydrophobicContact CD2-CD1 4.19Å; L113-L154 HydrophobicContact CD2-CD2 4.2Å
114L92.7Very high92.1Very high41 Ų4148.6 Ų48.622%0.21529%0.292CS..Hα-helixtrans-66.2-32.3176-166.873.6000112.1D111 C112 F116 L117 K123 I126 L131D111-L114 VanDerWaalsContact O-CB 3.29Å; D111-L114 WeakPolarHBondContact O-CB 3.45Å; D111-L114 PolarHBondContact O-N 2.67Å; C112-L114 PolarHBondContact O-N 3.45Å; L114-F116 VanDerWaalsContact C-N 3.35Å; L114-L117 HydrophobicContact CD1-CD1 3.73Å; L114-L117 HydrophobicContact CG-CD1 4.47Å; L114-K123 HydrophobicContact CD1-CB 4.16Å; L114-K123 HydrophobicContact CD1-CG 4.27Å; L114-K123 HydrophobicContact CG-CB 4.48Å; L114-K123 HydrophobicContact CG-CD 4.14Å; L114-K123 HydrophobicContact CG-CG 4.44Å; L114-K123 WeakPolarHBondContact O-CE 3.46Å; L114-K123 PolarHBondContact O-NZ 3.3Å; L114-I126 HydrophobicContact CD1-CB 3.8Å; L114-I126 HydrophobicContact CD1-CD1 4.24Å; L114-I126 HydrophobicContact CD1-CG2 3.62Å; L114-L131 HydrophobicContact CB-CD1 4.02Å; L114-L131 HydrophobicContact CD1-CD1 4.14Å
115D91Very high91.5Very high65 Ų6557.7 Ų57.735%0.34833%0.325SS..Hα-helixtrans-71.9-33.8177.9-53.4-41.1000111.8R55 C112 L113 L117R55-D115 IonicContact CZ-OD1 3.51Å; R55-D115 IonicContact CZ-OD2 2.57Å; R55-D115 IonicContact NE-OD2 3.81Å; R55-D115 IonicContact NH1-OD1 2.88Å; R55-D115 IonicContact NH1-OD2 3.75Å; R55-D115 PolarHBondContact NH1-OD2 2.97Å; R55-D115 IonicContact NH2-OD1 3.65Å; R55-D115 PolarHBondContact NH2-OD1 3.15Å; R55-D115 IonicContact NH2-OD2 3.64Å; R55-D115 PolarHBondContact NH2-OD2 3.28Å; C112-D115 WeakPolarHBondContact O-CB 3.46Å; C112-D115 PolarHBondContact O-N 3.37Å; L113-D115 VanDerWaalsContact C-N 3.29Å; L113-D115 PolarHBondContact O-N 3.45Å; D115-L117 PolarHBondContact O-N 3.3Å
116F93.2Very high91.2Very high21 Ų2159.4 Ų59.49%0.09233%0.333CS..THydrogen-bonded Turntrans-77.2-5.3-178.7-58.3-39.3000114.3L41 V43 Q47 I48 V51 C112 L113 L114L41-F116 HydrophobicContact CD1-CB 4.19Å; V43-F116 HydrophobicContact CG1-CB 3.55Å; V43-F116 HydrophobicContact CG1-CD1 3.78Å; V43-F116 HydrophobicContact CG1-CD2 3.89Å; V43-F116 HydrophobicContact CG1-CE1 4.48Å; V43-F116 HydrophobicContact CG1-CG 3.46Å; V43-F116 VanDerWaalsContact CG1-CG 3.46Å; Q47-F116 HydrophobicContact CG-CE1 4.02Å; I48-F116 HydrophobicContact CG1-CE2 4.04Å; I48-F116 HydrophobicContact CG1-CZ 4.18Å; V51-F116 HydrophobicContact CB-CZ 4.24Å; V51-F116 HydrophobicContact CG1-CZ 4.49Å; V51-F116 HydrophobicContact CG2-CE1 4.29Å; V51-F116 HydrophobicContact CG2-CZ 4.34Å; C112-F116 HydrophobicContact CB-CE2 4.1Å; C112-F116 VanDerWaalsContact O-CD2 3.23Å; C112-F116 WeakPolarHBondContact O-CD2 3.23Å; C112-F116 PolarHBondContact O-N 3.04Å; L113-F116 HydrophobicContact CD2-CD2 4.42Å; L113-F116 PolarHBondContact O-N 3.37Å; L114-F116 VanDerWaalsContact C-N 3.35Å
117L92.9Very high91Very high10 Ų1059.8 Ų59.85%0.05234%0.341CS..SBendtrans-62138.6174.7-72.7170000111.1P39 L41 L114 D115 V121 K123 I126 Y135P39-L117 HydrophobicContact CG-CD2 3.88Å; L41-L117 HydrophobicContact CD2-CD2 3.83Å; L41-L117 HydrophobicContact CD2-CG 4.45Å; L114-L117 HydrophobicContact CD1-CD1 3.73Å; L114-L117 HydrophobicContact CG-CD1 4.47Å; D115-L117 PolarHBondContact O-N 3.3Å; L117-V121 HydrophobicContact CB-CB 4.41Å; L117-V121 HydrophobicContact CD1-CG1 4.17Å; L117-V121 HydrophobicContact CD2-CG1 4.47Å; L117-K123 HydrophobicContact CD1-CG 4.47Å; L117-I126 HydrophobicContact CD1-CD1 3.47Å; L117-I126 VanDerWaalsContact CD1-CD1 3.47Å; L117-Y135 HydrophobicContact CD2-CE2 4.41Å; L117-Y135 WeakPolarHBondContact CD2-OH 3.12Å
118P91.1Very high90.8Very high58 Ų5858.8 Ų58.838%0.37734%0.341SS..PPolyproline II helixtrans-55.4152.4176.6-25.433.4000113.4P39 G120 V121P39-P118 HydrophobicContact CB-CG 4.21Å; P39-P118 HydrophobicContact CG-CG 4.39Å; P118-G120 PolarHBondContact O-N 3.39Å; P118-V121 HydrophobicContact CB-CG2 4.43Å; P118-V121 WeakPolarHBondContact O-CG2 3.36Å; P118-V121 PolarHBondContact O-N 2.83Å
119A86.6Confident90.6Very high110 Ų11063.1 Ų63.191%0.90936%0.364SS*.THydrogen-bonded Turntrans-57.2135.8172.700000110.7
120G82.8Confident90.4Very high89 Ų8965.1 Ų65.192%0.91838%0.376SS*.THydrogen-bonded Turntrans95.7-7.7-178.800000115.3P118P118-G120 PolarHBondContact O-N 3.39Å
121V87.2Confident90.4Very high49 Ų4965 Ų6530%0.29738%0.375SS..  trans-78123.1171.2-1790000109.8P39 L117 P118 K123 I126P39-V121 HydrophobicContact CG-CG2 4.29Å; L117-V121 HydrophobicContact CB-CB 4.41Å; L117-V121 HydrophobicContact CD1-CG1 4.17Å; L117-V121 HydrophobicContact CD2-CG1 4.47Å; P118-V121 HydrophobicContact CB-CG2 4.43Å; P118-V121 WeakPolarHBondContact O-CG2 3.36Å; P118-V121 PolarHBondContact O-N 2.83Å; V121-K123 PolarHBondContact O-N 3.35Å; V121-I126 HydrophobicContact CG1-CD1 4.03Å
122S85.4Confident90.4Very high75 Ų7565.8 Ų65.852%0.52438%0.376SS..  trans-66.5119.6173176.90000110.3I126S122-I126 WeakPolarHBondContact O-CD1 3.23Å
123K87.9Confident90.4Very high87 Ų8771 Ų7138%0.37840%0.4SS..  trans-88.8-13.4-179-59.1-175.5-178.2-158.30113L114 L117 V121 R125 I126L114-K123 HydrophobicContact CD1-CB 4.16Å; L114-K123 HydrophobicContact CD1-CG 4.27Å; L114-K123 HydrophobicContact CG-CB 4.48Å; L114-K123 HydrophobicContact CG-CD 4.14Å; L114-K123 HydrophobicContact CG-CG 4.44Å; L114-K123 WeakPolarHBondContact O-CE 3.46Å; L114-K123 PolarHBondContact O-NZ 3.3Å; L117-K123 HydrophobicContact CD1-CG 4.47Å; V121-K123 PolarHBondContact O-N 3.35Å; K123-R125 VanDerWaalsContact C-N 3.3Å; K123-R125 PolarHBondContact O-N 3.15Å; K123-I126 PolarHBondContact O-N 2.83Å
124E82.3Confident90.4Very high183 Ų18371 Ų7186%0.85540%0.401SS*.THydrogen-bonded Turntrans-62.2-31.8-168.1-64.6175.5-177.500114.3
125R83.8Confident90.6Very high226 Ų22669.1 Ų69.185%0.85339%0.391SS*.THydrogen-bonded Turntrans-105.12-177.8-57.9-17574.5-171.93.6113.4K123K123-R125 VanDerWaalsContact C-N 3.3Å; K123-R125 PolarHBondContact O-N 3.15Å
126I90.4Very high90.9Very high36 Ų3666.6 Ų66.619%0.18538%0.377CS..  trans-85.3119.9-177.5-60-178.6000108.4L114 L117 V121 S122 K123 L131L114-I126 HydrophobicContact CD1-CB 3.8Å; L114-I126 HydrophobicContact CD1-CD1 4.24Å; L114-I126 HydrophobicContact CD1-CG2 3.62Å; L117-I126 HydrophobicContact CD1-CD1 3.47Å; L117-I126 VanDerWaalsContact CD1-CD1 3.47Å; V121-I126 HydrophobicContact CG1-CD1 4.03Å; S122-I126 WeakPolarHBondContact O-CD1 3.23Å; K123-I126 PolarHBondContact O-N 2.83Å; I126-L131 HydrophobicContact CG2-CD1 3.91Å; I126-L131 HydrophobicContact CG2-CD2 3.66Å; I126-L131 HydrophobicContact CG2-CG 3.53Å
127T92.1Very high90.9Very high73 Ų7369.7 Ų69.745%0.44839%0.392SS..  trans-104.1159.817867.70000111L129 T130 L131T127-L129 PolarHBondContact O-N 2.65Å; T127-T130 PolarHBondContact N-OG1 3.21Å; T127-T130 PolarHBondContact O-N 3.24Å; T127-T130 VanDerWaalsContact O-N 3.08Å; T127-T130 PolarHBondContact O-OG1 3.11Å; T127-T130 WeakPolarHBondContact OG1-CG2 3.35Å; T127-T130 PolarHBondContact OG1-N 2.89Å; T127-T130 PolarHBondContact OG1-OG1 2.83Å; T127-L131 PolarHBondContact O-N 2.79Å
128A92.4Very high90.9Very high38 Ų3874.4 Ų74.431%0.31441%0.412SS..Hα-helixtrans-55-36.3172.900000112.5L110 L131 K132L110-A128 HydrophobicContact CB-CB 4.36Å; L110-A128 HydrophobicContact CD1-CB 4.04Å; A128-L131 PolarHBondContact O-N 2.84Å; A128-K132 WeakPolarHBondContact O-CB 3.25Å; A128-K132 PolarHBondContact O-N 3.03Å
129L93.4Very high91.1Very high95 Ų9575.6 Ų75.650%0.49742%0.415SS..Hα-helixtrans-64.2-45.5176.6-179.561.4000111.6T127 L131 K132 E133T127-L129 PolarHBondContact O-N 2.65Å; L129-L131 PolarHBondContact O-N 2.86Å; L129-K132 VanDerWaalsContact CD1-NZ 3.34Å; L129-K132 WeakPolarHBondContact O-CB 3.21Å; L129-K132 PolarHBondContact O-N 2.92Å; L129-E133 WeakPolarHBondContact O-CG 3.23Å; L129-E133 PolarHBondContact O-N 2.77Å
130T93.8Very high91.6Very high43 Ų4372.2 Ų72.226%0.26438%0.383SS..Hα-helixtrans-64.8-38.4178.151.70000112.3T127 E133 A134T127-T130 PolarHBondContact N-OG1 3.21Å; T127-T130 PolarHBondContact O-N 3.24Å; T127-T130 VanDerWaalsContact O-N 3.08Å; T127-T130 PolarHBondContact O-OG1 3.11Å; T127-T130 WeakPolarHBondContact OG1-CG2 3.35Å; T127-T130 PolarHBondContact OG1-N 2.89Å; T127-T130 PolarHBondContact OG1-OG1 2.83Å; T130-E133 PolarHBondContact O-N 3.17Å; T130-A134 WeakPolarHBondContact O-CB 3.44Å; T130-A134 PolarHBondContact O-N 2.8Å
131L94.9Very high92.3Very high4 Ų472.9 Ų72.92%0.02136%0.361CS..Hα-helixtrans-65.8-40.7175.2-71172.2000111.9L110 L113 L114 I126 T127 A128 L129 A134 Y135L110-L131 HydrophobicContact CD2-CB 4.35Å; L110-L131 VanDerWaalsContact O-CD1 3.26Å; L110-L131 WeakPolarHBondContact O-CD1 3.37Å; L113-L131 HydrophobicContact CB-CD2 4.47Å; L114-L131 HydrophobicContact CB-CD1 4.02Å; L114-L131 HydrophobicContact CD1-CD1 4.14Å; I126-L131 HydrophobicContact CG2-CD1 3.91Å; I126-L131 HydrophobicContact CG2-CD2 3.66Å; I126-L131 HydrophobicContact CG2-CG 3.53Å; T127-L131 PolarHBondContact O-N 2.79Å; A128-L131 PolarHBondContact O-N 2.84Å; L129-L131 PolarHBondContact O-N 2.86Å; L131-A134 PolarHBondContact O-N 2.68Å; L131-Y135 HydrophobicContact CD2-CD2 3.86Å; L131-Y135 HydrophobicContact CD2-CE2 3.69Å; L131-Y135 PolarHBondContact O-N 3.23Å
132K95.6Very high92.7Very high76 Ų7672.1 Ų72.133%0.3336%0.356SS..Hα-helixtrans-58.2-49.5174.7-174.2-154.274.8-177.50110.6L110 A128 L129 A134 V136L110-K132 HydrophobicContact CD1-CB 4.25Å; L110-K132 HydrophobicContact CD2-CB 3.93Å; A128-K132 WeakPolarHBondContact O-CB 3.25Å; A128-K132 PolarHBondContact O-N 3.03Å; L129-K132 VanDerWaalsContact CD1-NZ 3.34Å; L129-K132 WeakPolarHBondContact O-CB 3.21Å; L129-K132 PolarHBondContact O-N 2.92Å; K132-A134 VanDerWaalsContact C-N 3.32Å; K132-A134 PolarHBondContact O-N 3.48Å; K132-V136 HydrophobicContact CG-CB 4.31Å; K132-V136 HydrophobicContact CG-CG2 4.39Å; K132-V136 VanDerWaalsContact O-CB 3.27Å; K132-V136 WeakPolarHBondContact O-CB 3.33Å; K132-V136 PolarHBondContact O-N 2.91Å; K132-V136 VanDerWaalsContact O-N 3.1Å
133E95.1Very high93.1Very high110 Ų11071.5 Ų71.551%0.51435%0.351SS..Hα-helixtrans-68.6-31.5-179.2-71174.6178.700113.1R35 L129 T130R35-E133 WeakPolarHBondContact CD-O 3.27Å; L129-E133 WeakPolarHBondContact O-CG 3.23Å; L129-E133 PolarHBondContact O-N 2.77Å; T130-E133 PolarHBondContact O-N 3.17Å
134A94.9Very high93.4Very high3 Ų370.9 Ų70.93%0.02535%0.352CS..Hα-helixtrans-76.4-46.6-179.900000113.3R35 F38 T130 L131 K132R35-A134 WeakPolarHBondContact CG-O 3.44Å; R35-A134 PolarHBondContact N-O 3.05Å; F38-A134 HydrophobicContact CB-CB 3.92Å; F38-A134 HydrophobicContact CD1-CB 3.73Å; F38-A134 HydrophobicContact CD2-CB 3.59Å; F38-A134 HydrophobicContact CE1-CB 4.12Å; F38-A134 HydrophobicContact CE2-CB 3.99Å; F38-A134 HydrophobicContact CG-CB 3.45Å; F38-A134 VanDerWaalsContact CG-CB 3.45Å; F38-A134 HydrophobicContact CZ-CB 4.24Å; T130-A134 WeakPolarHBondContact O-CB 3.44Å; T130-A134 PolarHBondContact O-N 2.8Å; L131-A134 PolarHBondContact O-N 2.68Å; K132-A134 VanDerWaalsContact C-N 3.32Å; K132-A134 PolarHBondContact O-N 3.48Å
135Y96.1Very high93.7Very high0 Ų070.4 Ų70.40%036%0.355CS..Hα-helixtrans-117.9-20.1-164.6-63.1-68.6000114.8I32 F38 P39 L41 L113 L117 L131 L154 S155I32-Y135 HydrophobicContact CG2-CD1 4.02Å; F38-Y135 HydrophobicContact CB-CE1 4.42Å; F38-Y135 HydrophobicContact CB-CE2 4.44Å; F38-Y135 AromaticContact CD1-CE2 3.8Å; F38-Y135 HydrophobicContact CD1-CE2 3.8Å; F38-Y135 HydrophobicContact CG-CE2 4.45Å; P39-Y135 WeakPolarHBondContact CD-OH 3.47Å; P39-Y135 VanDerWaalsContact O-CE1 3.25Å; P39-Y135 WeakPolarHBondContact O-CE1 3.45Å; P39-Y135 PolarHBondContact O-OH 2.84Å; L41-Y135 HydrophobicContact CD1-CD1 4.07Å; L41-Y135 HydrophobicContact CD1-CE1 3.94Å; L41-Y135 HydrophobicContact CD1-CE2 4.45Å; L41-Y135 HydrophobicContact CD1-CG 4.38Å; L41-Y135 HydrophobicContact CD2-CE1 4.02Å; L41-Y135 HydrophobicContact CG-CD1 4.2Å; L41-Y135 HydrophobicContact CG-CE1 3.66Å; L113-Y135 HydrophobicContact CD1-CD2 4.44Å; L117-Y135 HydrophobicContact CD2-CE2 4.41Å; L117-Y135 WeakPolarHBondContact CD2-OH 3.12Å; L131-Y135 HydrophobicContact CD2-CD2 3.86Å; L131-Y135 HydrophobicContact CD2-CE2 3.69Å; L131-Y135 PolarHBondContact O-N 3.23Å; Y135-L154 WeakPolarHBondContact O-CA 3.4Å; Y135-S155 PolarHBondContact O-N 3.45Å
136V96.3Very high94Very high12 Ų1262.8 Ų62.87%0.07333%0.334CS..EExtended strand (participates in β ladder)trans-89.6115.6-178.2-178.20000109.6L110 K132 K138 L139 I152 L154L110-V136 HydrophobicContact CD2-CG2 3.92Å; K132-V136 HydrophobicContact CG-CB 4.31Å; K132-V136 HydrophobicContact CG-CG2 4.39Å; K132-V136 VanDerWaalsContact O-CB 3.27Å; K132-V136 WeakPolarHBondContact O-CB 3.33Å; K132-V136 PolarHBondContact O-N 2.91Å; K132-V136 VanDerWaalsContact O-N 3.1Å; V136-K138 WeakPolarHBondContact CG1-O 3.3Å; V136-L139 HydrophobicContact CG1-CB 4.34Å; V136-I152 HydrophobicContact CG1-CG2 3.91Å; V136-I152 HydrophobicContact CG2-CG2 3.96Å; V136-L154 HydrophobicContact CG2-CD2 4.25Å
137Q93.3Very high94.2Very high86 Ų8662 Ų6240%0.40233%0.33SS..EExtended strand (participates in β ladder)trans-80.2-39.8176.1-176.4173.98.900111.6S153 N161Q137-S153 PolarHBondContact N-O 2.94Å; Q137-N161 PolarHBondContact OE1-OD1 3.03Å; Q137-N161 VanDerWaalsContact OE1-OD1 3.09Å
138K94Very high94.4Very high109 Ų10962 Ų6247%0.47432%0.322SS..EExtended strand (participates in β ladder)trans-145.6134.9-175.8-172.9-175.4176.2-170.10110.6V136 V140 L151 S153V136-K138 WeakPolarHBondContact CG1-O 3.3Å; K138-V140 HydrophobicContact CD-CG2 4.32Å; K138-V140 HydrophobicContact CG-CG2 4.06Å; K138-L151 HydrophobicContact CD-CD2 4.42Å; K138-S153 PolarHBondContact N-O 3.34Å; K138-S153 PolarHBondContact O-N 2.92Å
139L96.1Very high94.6Very high84 Ų8462.2 Ų62.244%0.4432%0.315SS..EExtended strand (participates in β ladder)trans-127.1127.8175.1-16778.2000108.9K106 V136 L151 I152K106-L139 HydrophobicContact CD-CD2 4.38Å; K106-L139 HydrophobicContact CG-CD1 4.43Å; V136-L139 HydrophobicContact CG1-CB 4.34Å; L139-L151 WeakPolarHBondContact CA-O 3.31Å; L139-I152 HydrophobicContact CD1-CB 4.24Å; L139-I152 HydrophobicContact CD1-CD1 3.99Å; L139-I152 HydrophobicContact CD1-CG1 3.65Å; L139-I152 HydrophobicContact CD1-CG2 4.13Å
140V96.6Very high94.8Very high39 Ų3958 Ų5824%0.23629%0.293CS..EExtended strand (participates in β ladder)trans-132.8133.8179.5-173.50000109.5K138 V142 W149 S150 L151K138-V140 HydrophobicContact CD-CG2 4.32Å; K138-V140 HydrophobicContact CG-CG2 4.06Å; V140-V142 HydrophobicContact CG1-CG2 3.98Å; V140-W149 HydrophobicContact CB-CZ3 4.37Å; V140-W149 HydrophobicContact CG1-CH2 4.05Å; V140-W149 HydrophobicContact CG1-CZ3 4.15Å; V140-S150 CarbonylContact O-C 3.59Å; V140-S150 WeakPolarHBondContact O-CA 3.38Å; V140-S150 PolarHBondContact O-OG 3.13Å; V140-L151 HydrophobicContact CB-CB 4.26Å; V140-L151 HydrophobicContact CG2-CD2 4.37Å; V140-L151 PolarHBondContact N-O 3.14Å; V140-L151 PolarHBondContact O-N 2.88Å
141K96.4Very high95Very high102 Ų10256.5 Ų56.544%0.44328%0.283SS..EExtended strand (participates in β ladder)trans-119.5126.3168.2176.7-176.2175.9-170.60108.2D99 F102D99-K141 IonicContact OD1-NZ 3Å; D99-K141 PolarHBondContact OD1-NZ 3.42Å; D99-K141 IonicContact OD2-NZ 3.45Å; D99-K141 PolarHBondContact OD2-NZ 3.24Å; F102-K141 HydrophobicContact CB-CD 4.43Å; F102-K141 HydrophobicContact CD1-CD 4.16Å; F102-K141 HydrophobicContact CD1-CG 3.77Å; F102-K141 HydrophobicContact CE1-CG 3.9Å; F102-K141 HydrophobicContact CG-CD 4.22Å; F102-K141 HydrophobicContact CG-CG 4.32Å
142V95.8Very high95.1Very high33 Ų3356.3 Ų56.320%0.228%0.283CS..EExtended strand (participates in β ladder)trans-122.3123.4171.1-177.20000108.3V140 D147 R148 W149V140-V142 HydrophobicContact CG1-CG2 3.98Å; V142-D147 HydrophobicContact CG1-CB 3.82Å; V142-R148 WeakPolarHBondContact O-CA 3.48Å; V142-W149 HydrophobicContact CB-CD2 4.13Å; V142-W149 HydrophobicContact CB-CG 4.31Å; V142-W149 HydrophobicContact CB-CZ2 4.13Å; V142-W149 HydrophobicContact CG2-CD2 4.15Å; V142-W149 HydrophobicContact CG2-CH2 3.93Å; V142-W149 HydrophobicContact CG2-CZ2 3.41Å; V142-W149 VanDerWaalsContact CG2-CZ2 3.41Å; V142-W149 HydrophobicContact CG2-CZ3 4.48Å; V142-W149 PolarHBondContact N-O 3.26Å; V142-W149 PolarHBondContact O-N 2.82Å; V142-W149 VanDerWaalsContact O-O 3.09Å
143C95.1Very high95.2Very high63 Ų6352.8 Ų52.843%0.42627%0.268SS..EExtended strand (participates in β ladder)trans-145.196.8177.2-174.20000108.5F102 D147F102-C143 HydrophobicContact CE2-CB 4.2Å; F102-C143 HydrophobicContact CZ-CB 4.06Å; C143-D147 WeakPolarHBondContact CA-O 3.48Å
144N92.6Very high95.2Very high73 Ų7347.7 Ų47.739%0.3924%0.244SC..SBendtrans-138.6-174.9173.465.551.6000109.5T146 D147N144-T146 PolarHBondContact O-N 3.28Å; N144-T146 PolarHBondContact OD1-N 3.45Å; N144-T146 PolarHBondContact OD1-OG1 3.44Å; N144-D147 PolarHBondContact N-O 3.42Å; N144-D147 PolarHBondContact OD1-N 2.86Å
145D89.1Confident94.9Very high173 Ų17348 Ų4893%0.92525%0.245SC*.SBendtrans-62.3-28.5-173.9-58.8-29.5000113.9
146T90Very high94.4Very high67 Ų6748.3 Ų48.341%0.41125%0.247SC..SBendtrans-105.2-35.2-177.756.30000113.2N144 S169N144-T146 PolarHBondContact O-N 3.28Å; N144-T146 PolarHBondContact OD1-N 3.45Å; N144-T146 PolarHBondContact OD1-OG1 3.44Å; T146-S169 PolarHBondContact O-OG 3.33Å
147D94.1Very high93.7Very high19 Ų1953.6 Ų53.610%0.10228%0.275CS..  trans-122121.3-170.3-63-71.1000111.2V142 C143 N144 R171V142-D147 HydrophobicContact CG1-CB 3.82Å; C143-D147 WeakPolarHBondContact CA-O 3.48Å; N144-D147 PolarHBondContact N-O 3.42Å; N144-D147 PolarHBondContact OD1-N 2.86Å; D147-R171 WeakPolarHBondContact OD1-CB 3.32Å; D147-R171 PolarHBondContact OD1-N 2.9Å
148R96.3Very high92.9Very high74 Ų7453.8 Ų53.828%0.27928%0.283SS..EExtended strand (participates in β ladder)trans-133.996.8177.9-62.7179.171.8135.17.4109.1L96 K97 V142 D168 S169L96-R148 VanDerWaalsContact O-CZ 3.31Å; L96-R148 PolarHBondContact O-NE 3.4Å; L96-R148 PolarHBondContact O-NH2 2.96Å; K97-R148 PolarHBondContact O-NH2 3.45Å; V142-R148 WeakPolarHBondContact O-CA 3.48Å; R148-D168 HydrophobicContact CB-CB 4.15Å; R148-D168 WeakPolarHBondContact O-CB 3.11Å; R148-D168 PolarHBondContact O-N 3.46Å; R148-S169 CarbonylContact C-O 3.37Å; R148-S169 PolarHBondContact N-O 2.87Å; R148-S169 PolarHBondContact N-OG 2.57Å; R148-S169 VanDerWaalsContact N-OG 3.13Å; R148-S169 PolarHBondContact O-N 3.26Å; R148-S169 VanDerWaalsContact O-N 3.14Å
149W97.3Very high91.8Very high41 Ų4149.6 Ų49.616%0.15527%0.27CS..EExtended strand (participates in β ladder)trans-157.8158-17859.9-87.5000112.9V140 V142 L151 K165 F166 V167 L170V140-W149 HydrophobicContact CB-CZ3 4.37Å; V140-W149 HydrophobicContact CG1-CH2 4.05Å; V140-W149 HydrophobicContact CG1-CZ3 4.15Å; V142-W149 HydrophobicContact CB-CD2 4.13Å; V142-W149 HydrophobicContact CB-CG 4.31Å; V142-W149 HydrophobicContact CB-CZ2 4.13Å; V142-W149 HydrophobicContact CG2-CD2 4.15Å; V142-W149 HydrophobicContact CG2-CH2 3.93Å; V142-W149 HydrophobicContact CG2-CZ2 3.41Å; V142-W149 VanDerWaalsContact CG2-CZ2 3.41Å; V142-W149 HydrophobicContact CG2-CZ3 4.48Å; V142-W149 PolarHBondContact N-O 3.26Å; V142-W149 PolarHBondContact O-N 2.82Å; V142-W149 VanDerWaalsContact O-O 3.09Å; W149-L151 HydrophobicContact CE3-CB 4.14Å; W149-L151 HydrophobicContact CZ3-CB 3.68Å; W149-L151 HydrophobicContact CZ3-CD1 4.2Å; W149-K165 HydrophobicContact CE3-CG 4.26Å; W149-F166 CarbonylContact C-O 3.51Å; W149-F166 WeakPolarHBondContact CA-O 3.33Å; W149-F166 VanDerWaalsContact CB-O 3.28Å; W149-F166 WeakPolarHBondContact CB-O 3.37Å; W149-V167 HydrophobicContact CB-CB 4.47Å; W149-V167 HydrophobicContact CB-CG2 4.15Å; W149-L170 HydrophobicContact CG-CD1 4.33Å
150S97.8Very high91.1Very high6 Ų649.8 Ų49.84%0.04227%0.267CS..EExtended strand (participates in β ladder)trans-124.4149.8175.7-170.80000110V140 K165 F166V140-S150 CarbonylContact O-C 3.59Å; V140-S150 WeakPolarHBondContact O-CA 3.38Å; V140-S150 PolarHBondContact O-OG 3.13Å; S150-K165 CarbonylContact O-C 3.55Å; S150-K165 WeakPolarHBondContact O-CA 3.3Å; S150-F166 PolarHBondContact N-O 3.19Å; S150-F166 PolarHBondContact O-N 2.77Å
151L97.8Very high90.7Very high12 Ų1248.4 Ų48.46%0.06326%0.258CS..EExtended strand (participates in β ladder)trans-136.3133.6174.8177.4156.2000110.6K138 L139 V140 W149 L164K138-L151 HydrophobicContact CD-CD2 4.42Å; L139-L151 WeakPolarHBondContact CA-O 3.31Å; V140-L151 HydrophobicContact CB-CB 4.26Å; V140-L151 HydrophobicContact CG2-CD2 4.37Å; V140-L151 PolarHBondContact N-O 3.14Å; V140-L151 PolarHBondContact O-N 2.88Å; W149-L151 HydrophobicContact CE3-CB 4.14Å; W149-L151 HydrophobicContact CZ3-CB 3.68Å; W149-L151 HydrophobicContact CZ3-CD1 4.2Å; L151-L164 WeakPolarHBondContact CA-O 3.38Å
152I98Very high90.6Very high1 Ų143.6 Ų43.61%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-126.5108.4175.7-44.2-167000107.6K106 V109 V136 L139 L154 L164 F166K106-I152 HydrophobicContact CB-CD1 4.48Å; V109-I152 HydrophobicContact CB-CD1 3.79Å; V109-I152 HydrophobicContact CG1-CD1 3.93Å; V109-I152 HydrophobicContact CG1-CG2 4.14Å; V109-I152 HydrophobicContact CG2-CD1 3.94Å; V136-I152 HydrophobicContact CG1-CG2 3.91Å; V136-I152 HydrophobicContact CG2-CG2 3.96Å; L139-I152 HydrophobicContact CD1-CB 4.24Å; L139-I152 HydrophobicContact CD1-CD1 3.99Å; L139-I152 HydrophobicContact CD1-CG1 3.65Å; L139-I152 HydrophobicContact CD1-CG2 4.13Å; I152-L154 HydrophobicContact CG2-CD2 4.23Å; I152-L164 PolarHBondContact N-O 3.43Å; I152-L164 PolarHBondContact O-N 3.32Å; I152-F166 HydrophobicContact CD1-CE2 4.28Å; I152-F166 HydrophobicContact CG1-CE2 4.23Å
153S96.3Very high90.6Very high2 Ų243.4 Ų43.41%0.01424%0.235CC..EExtended strand (participates in β ladder)trans-98.6122.2178-169.80000109.2Q137 K138 E163Q137-S153 PolarHBondContact N-O 2.94Å; K138-S153 PolarHBondContact N-O 3.34Å; K138-S153 PolarHBondContact O-N 2.92Å; S153-E163 WeakPolarHBondContact CB-OE1 3.49Å; S153-E163 PolarHBondContact OG-OE1 2.84Å
154L95.2Very high90.8Very high2 Ų240.5 Ų40.51%0.0122%0.215CC..EExtended strand (participates in β ladder)trans-93.5134.7-178.5-55176.2000109.6I32 L113 Y135 V136 I152 N156 N161 V162 L164I32-L154 HydrophobicContact CD1-CB 4.16Å; I32-L154 HydrophobicContact CD1-CD1 3.64Å; I32-L154 HydrophobicContact CD1-CG 4.5Å; I32-L154 HydrophobicContact CG1-CB 4.44Å; I32-L154 HydrophobicContact CG2-CB 3.93Å; L113-L154 HydrophobicContact CD1-CD2 4.2Å; L113-L154 HydrophobicContact CD2-CD1 4.19Å; L113-L154 HydrophobicContact CD2-CD2 4.2Å; Y135-L154 WeakPolarHBondContact O-CA 3.4Å; V136-L154 HydrophobicContact CG2-CD2 4.25Å; I152-L154 HydrophobicContact CG2-CD2 4.23Å; L154-N156 PolarHBondContact O-N 2.84Å; L154-N161 WeakPolarHBondContact O-CB 3.39Å; L154-V162 HydrophobicContact CB-CB 4.35Å; L154-V162 HydrophobicContact CD1-CB 4.41Å; L154-V162 HydrophobicContact CD1-CG1 4.45Å; L154-V162 PolarHBondContact N-O 3.16Å; L154-L164 HydrophobicContact CD1-CD1 4.23Å
155S88.4Confident91.1Very high9 Ų938.9 Ų38.96%0.06320%0.204CC..PPolyproline II helixtrans-68.2124.6-169.7-167.90000112.3I32 H33 Y135I32-S155 CarbonylContact C-O 3.51Å; I32-S155 WeakPolarHBondContact CA-O 3.47Å; H33-S155 PolarHBondContact N-O 3.38Å; Y135-S155 PolarHBondContact O-N 3.45Å
156N85.9Confident91.5Very high8 Ų830.7 Ų30.74%0.04316%0.16CC..  trans-127.2115165.1-172-17.3000110.4P31 H33 L154 T158 G159 K160 N161P31-N156 PolarHBondContact O-ND2 2.73Å; H33-N156 PolarHBondContact CE1-OD1 2.69Å; L154-N156 PolarHBondContact O-N 2.84Å; N156-T158 PolarHBondContact ND2-OG1 3.44Å; N156-T158 PolarHBondContact O-N 3.02Å; N156-T158 VanDerWaalsContact O-N 3.09Å; N156-T158 WeakPolarHBondContact OD1-CB 3.46Å; N156-T158 PolarHBondContact OD1-N 3.23Å; N156-T158 PolarHBondContact OD1-OG1 2.83Å; N156-G159 PolarHBondContact O-N 2.99Å; N156-K160 WeakPolarHBondContact CB-O 3.42Å; N156-K160 PolarHBondContact ND2-O 3.08Å; N156-N161 PolarHBondContact N-OD1 3.22Å; N156-N161 PolarHBondContact O-OD1 3.35Å
157N82.8Confident91.9Very high122 Ų12228.4 Ų28.465%0.65215%0.147SC*.THydrogen-bonded Turntrans-68.4-11.6-176.5-62.4-3.5000113.2H33 G159H33-N157 PolarHBondContact CD2-ND2 3.48Å; H33-N157 PolarHBondContact ND1-N 2.94Å; N157-G159 VanDerWaalsContact C-N 3.27Å
158T74.6Confident92Very high91 Ų9129.8 Ų29.856%0.55815%0.154SC*.THydrogen-bonded Turntrans-84.3-2.7172.167.50000113N156N156-T158 PolarHBondContact ND2-OG1 3.44Å; N156-T158 PolarHBondContact O-N 3.02Å; N156-T158 VanDerWaalsContact O-N 3.09Å; N156-T158 WeakPolarHBondContact OD1-CB 3.46Å; N156-T158 PolarHBondContact OD1-N 3.23Å; N156-T158 PolarHBondContact OD1-OG1 2.83Å
159G71.7Confident91.9Very high20 Ų2028.1 Ų28.121%0.20615%0.154CC..SBendtrans85.20.9-179.900000114.8K86 N156 N157K86-G159 WeakPolarHBondContact CE-O 3.41Å; K86-G159 WeakPolarHBondContact CG-O 3.27Å; N156-G159 PolarHBondContact O-N 2.99Å; N157-G159 VanDerWaalsContact C-N 3.27Å
160K80.8Confident91.7Very high88 Ų8827.4 Ų27.438%0.38315%0.152SC..  trans-96.775.6173.8-63-171.4177.6-178.10111.8K86 N156K86-K160 WeakPolarHBondContact O-CA 3.27Å; K86-K160 WeakPolarHBondContact O-CB 3.37Å; K86-K160 VanDerWaalsContact O-CG 3.3Å; K86-K160 WeakPolarHBondContact O-CG 3.1Å; N156-K160 WeakPolarHBondContact CB-O 3.42Å; N156-K160 PolarHBondContact ND2-O 3.08Å
161N88.7Confident91.3Very high10 Ų1033.3 Ų33.35%0.05317%0.174CC..  trans-72.2154-174.9-55.7-51.5000111.2D87 L88 Q137 L154 N156D87-N161 CarbonylContact C-O 3.54Å; D87-N161 WeakPolarHBondContact CA-O 3.49Å; D87-N161 VanDerWaalsContact OD1-CB 3.3Å; D87-N161 WeakPolarHBondContact OD1-CB 3.32Å; D87-N161 PolarHBondContact OD1-N 2.86Å; D87-N161 PolarHBondContact OD1-ND2 3.23Å; D87-N161 VanDerWaalsContact OD1-ND2 3.16Å; L88-N161 PolarHBondContact N-O 2.68Å; Q137-N161 PolarHBondContact OE1-OD1 3.03Å; Q137-N161 VanDerWaalsContact OE1-OD1 3.09Å; L154-N161 WeakPolarHBondContact O-CB 3.39Å; N156-N161 PolarHBondContact N-OD1 3.22Å; N156-N161 PolarHBondContact O-OD1 3.35Å
162V94.7Very high90.8Very high2 Ų235.8 Ų35.81%0.01218%0.182CC..EExtended strand (participates in β ladder)trans-98.3114.5168.9-178.80000107.6V30 I48 L88 L90 L154 L164V30-V162 HydrophobicContact CG2-CG2 3.64Å; I48-V162 HydrophobicContact CD1-CG1 4.05Å; L88-V162 HydrophobicContact CD1-CG2 4.48Å; L90-V162 HydrophobicContact CD1-CG1 4.28Å; L154-V162 HydrophobicContact CB-CB 4.35Å; L154-V162 HydrophobicContact CD1-CB 4.41Å; L154-V162 HydrophobicContact CD1-CG1 4.45Å; L154-V162 PolarHBondContact N-O 3.16Å; V162-L164 HydrophobicContact CG1-CD2 4.1Å
163E96.6Very high90.4Very high29 Ų2939.6 Ų39.614%0.13620%0.2CC..EExtended strand (participates in β ladder)trans-106.3114.7-179.2-54.4-144.2143.200110.3D87 L88 L90 S153D87-E163 HydrophobicContact CB-CG 4.36Å; L88-E163 PolarHBondContact O-N 2.77Å; L90-E163 PolarHBondContact N-O 3.49Å; S153-E163 WeakPolarHBondContact CB-OE1 3.49Å; S153-E163 PolarHBondContact OG-OE1 2.84Å
164L98.1Very high90.2Very high1 Ų140.9 Ų40.91%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-96.6108.6175.1-52.5178.1000108.5I48 L90 F92 V109 L151 I152 L154 V162 F166I48-L164 HydrophobicContact CG2-CD1 4.02Å; I48-L164 HydrophobicContact CG2-CD2 3.84Å; L90-L164 HydrophobicContact CB-CD2 4.12Å; L90-L164 HydrophobicContact CD1-CD2 3.76Å; F92-L164 HydrophobicContact CE2-CB 4.45Å; F92-L164 HydrophobicContact CE2-CD2 3.99Å; V109-L164 HydrophobicContact CG1-CD1 3.77Å; V109-L164 HydrophobicContact CG2-CD1 4.13Å; L151-L164 WeakPolarHBondContact CA-O 3.38Å; I152-L164 PolarHBondContact N-O 3.43Å; I152-L164 PolarHBondContact O-N 3.32Å; L154-L164 HydrophobicContact CD1-CD1 4.23Å; V162-L164 HydrophobicContact CG1-CD2 4.1Å; L164-F166 HydrophobicContact CB-CE2 3.73Å; L164-F166 HydrophobicContact CB-CZ 3.94Å
165K98.2Very high90.1Very high40 Ų4043.7 Ų43.717%0.17422%0.219CC..EExtended strand (participates in β ladder)trans-109.2122-179-164.6-179.4-176.7177.80110.1L90 I91 F92 W149 S150 V167 L170L90-K165 PolarHBondContact O-N 2.88Å; I91-K165 CarbonylContact C-O 3.51Å; I91-K165 VanDerWaalsContact CA-O 3.3Å; I91-K165 WeakPolarHBondContact CA-O 3.45Å; I91-K165 HydrophobicContact CG1-CB 4.31Å; I91-K165 HydrophobicContact CG1-CD 4.4Å; F92-K165 PolarHBondContact N-O 3.11Å; W149-K165 HydrophobicContact CE3-CG 4.26Å; S150-K165 CarbonylContact O-C 3.55Å; S150-K165 WeakPolarHBondContact O-CA 3.3Å; K165-V167 HydrophobicContact CD-CG2 4.01Å; K165-V167 HydrophobicContact CG-CG2 3.8Å; K165-L170 VanDerWaalsContact NZ-CD2 3.28Å
166F98.4Very high90.4Very high0 Ų043.2 Ų43.20%022%0.216CC..EExtended strand (participates in β ladder)trans-107.5110.9-178.6-58.5-88.1000108.4V52 L56 F92 V94 V105 V109 W149 S150 I152 L164V52-F166 HydrophobicContact CG1-CE1 3.88Å; V52-F166 HydrophobicContact CG1-CZ 4.01Å; L56-F166 HydrophobicContact CD1-CD1 4.12Å; L56-F166 HydrophobicContact CD1-CE1 3.77Å; F92-F166 HydrophobicContact CB-CD1 3.68Å; F92-F166 HydrophobicContact CB-CE1 4.02Å; F92-F166 HydrophobicContact CD1-CE1 4.3Å; F92-F166 HydrophobicContact CD2-CD1 4.1Å; F92-F166 AromaticContact CD2-CE1 3.71Å; F92-F166 HydrophobicContact CD2-CE1 3.71Å; F92-F166 HydrophobicContact CD2-CZ 4.16Å; F92-F166 HydrophobicContact CE2-CE1 4.25Å; F92-F166 HydrophobicContact CE2-CZ 4.4Å; F92-F166 AromaticContact CG-CD1 3.96Å; F92-F166 HydrophobicContact CG-CD1 3.96Å; F92-F166 AromaticContact CG-CE1 3.75Å; F92-F166 HydrophobicContact CG-CE1 3.75Å; F92-F166 WeakPolarHBondContact O-CA 3.27Å; V94-F166 HydrophobicContact CG1-CD1 4.41Å; V94-F166 HydrophobicContact CG2-CB 3.78Å; V105-F166 HydrophobicContact CG1-CB 3.99Å; V105-F166 HydrophobicContact CG1-CD1 3.68Å; V105-F166 HydrophobicContact CG1-CD2 3.32Å; V105-F166 HydrophobicContact CG1-CE1 3.98Å; V105-F166 HydrophobicContact CG1-CE2 3.62Å; V105-F166 HydrophobicContact CG1-CG 3.35Å; V105-F166 HydrophobicContact CG1-CZ 3.95Å; V105-F166 HydrophobicContact CG2-CD1 4.42Å; V109-F166 HydrophobicContact CG2-CE1 4.45Å; V109-F166 HydrophobicContact CG2-CE2 3.83Å; V109-F166 HydrophobicContact CG2-CZ 3.43Å; V109-F166 VanDerWaalsContact CG2-CZ 3.43Å; W149-F166 CarbonylContact C-O 3.51Å; W149-F166 WeakPolarHBondContact CA-O 3.33Å; W149-F166 VanDerWaalsContact CB-O 3.28Å; W149-F166 WeakPolarHBondContact CB-O 3.37Å; S150-F166 PolarHBondContact N-O 3.19Å; S150-F166 PolarHBondContact O-N 2.77Å; I152-F166 HydrophobicContact CD1-CE2 4.28Å; I152-F166 HydrophobicContact CG1-CE2 4.23Å; L164-F166 HydrophobicContact CB-CE2 3.73Å; L164-F166 HydrophobicContact CB-CZ 3.94Å
167V97.7Very high90.9Very high20 Ų2042.9 Ų42.912%0.12121%0.213CC..EExtended strand (participates in β ladder)trans-117.7124-167.7-179.10000110.5I91 F92 G93 V94 W149 K165 L170I91-V167 HydrophobicContact CG2-CB 4.19Å; I91-V167 HydrophobicContact CG2-CG2 3.83Å; F92-V167 PolarHBondContact O-N 2.89Å; G93-V167 WeakPolarHBondContact CA-O 3.48Å; V94-V167 PolarHBondContact N-O 3.28Å; W149-V167 HydrophobicContact CB-CB 4.47Å; W149-V167 HydrophobicContact CB-CG2 4.15Å; K165-V167 HydrophobicContact CD-CG2 4.01Å; K165-V167 HydrophobicContact CG-CG2 3.8Å; V167-L170 HydrophobicContact CG1-CB 3.65Å
168D96.4Very high91.4Very high48 Ų4837.1 Ų37.126%0.25718%0.183SC..EExtended strand (participates in β ladder)trans-100.1-52.1165.6-17012.2000110.2V94 L96 R148V94-D168 WeakPolarHBondContact O-CA 3.31Å; V94-D168 WeakPolarHBondContact O-CB 3.44Å; L96-D168 HydrophobicContact CB-CB 3.84Å; L96-D168 HydrophobicContact CD1-CB 4.25Å; L96-D168 HydrophobicContact CG-CB 4.06Å; L96-D168 PolarHBondContact N-OD2 2.83Å; R148-D168 HydrophobicContact CB-CB 4.15Å; R148-D168 WeakPolarHBondContact O-CB 3.11Å; R148-D168 PolarHBondContact O-N 3.46Å
169S94.5Very high92.2Very high39 Ų3933.8 Ų33.827%0.27316%0.161SC..EExtended strand (participates in β ladder)trans-135.5136.9169.8720000111T146 R148T146-S169 PolarHBondContact O-OG 3.33Å; R148-S169 CarbonylContact C-O 3.37Å; R148-S169 PolarHBondContact N-O 2.87Å; R148-S169 PolarHBondContact N-OG 2.57Å; R148-S169 VanDerWaalsContact N-OG 3.13Å; R148-S169 PolarHBondContact O-N 3.26Å; R148-S169 VanDerWaalsContact O-N 3.14Å
170L92.7Very high93.3Very high25 Ų2532.8 Ų32.813%0.13115%0.152CC..  trans-143.9113.5176.7-179.367.5000108.8W149 K165 V167 R172 Q173W149-L170 HydrophobicContact CG-CD1 4.33Å; K165-L170 VanDerWaalsContact NZ-CD2 3.28Å; V167-L170 HydrophobicContact CG1-CB 3.65Å; L170-R172 WeakPolarHBondContact CG-O 3.31Å; L170-Q173 HydrophobicContact CB-CG 4.45Å; L170-Q173 HydrophobicContact CD2-CG 4.1Å; L170-Q173 HydrophobicContact CG-CG 4.14Å; L170-Q173 WeakPolarHBondContact O-CG 3.26Å; L170-Q173 PolarHBondContact O-NE2 3.43Å
171R90.4Very high94.1Very high131 Ų13128.6 Ų28.649%0.49413%0.133SC..SBendtrans-68.5-47.4179.1178.8175.3169.41572.6111D147 E235D147-R171 WeakPolarHBondContact OD1-CB 3.32Å; D147-R171 PolarHBondContact OD1-N 2.9Å; R171-E235 WeakPolarHBondContact CG-OE1 2.88Å; R171-E235 IonicContact CZ-OE1 2.7Å; R171-E235 IonicContact NE-OE1 2.98Å; R171-E235 PolarHBondContact NE-OE1 3.34Å; R171-E235 IonicContact NH2-OE1 3.32Å
172R87.9Confident94.6Very high64 Ų6428.6 Ų28.624%0.24213%0.133CC..  trans-102.1101.1-172.1-53.7174.3-169.2-128.5-7.8110L170 E235 R237L170-R172 WeakPolarHBondContact CG-O 3.31Å; R172-E235 WeakPolarHBondContact CD-O 3.37Å; R172-E235 HydrophobicContact CG-CB 4.2Å; R172-E235 PolarHBondContact NH1-O 2.7Å; R172-R237 VanDerWaalsContact CZ-NE 3.28Å; R172-R237 VanDerWaalsContact NH1-CZ 3.31Å
173Q88.8Confident94.7Very high81 Ų8128.5 Ų28.538%0.37913%0.132SC..  trans-103-17.5-173.6-57.2-167.647.200113.8L170 V212L170-Q173 HydrophobicContact CB-CG 4.45Å; L170-Q173 HydrophobicContact CD2-CG 4.1Å; L170-Q173 HydrophobicContact CG-CG 4.14Å; L170-Q173 WeakPolarHBondContact O-CG 3.26Å; L170-Q173 PolarHBondContact O-NE2 3.43Å; Q173-V212 HydrophobicContact CB-CB 4.09Å; Q173-V212 HydrophobicContact CB-CG1 4.37Å; Q173-V212 HydrophobicContact CB-CG2 3.79Å
174F92.5Very high94.8Very high28 Ų2828.4 Ų28.412%0.12314%0.135CC..  trans-149.4164178.171.4-82000111.4V212 Y213F174-V212 HydrophobicContact CB-CG2 3.85Å; F174-V212 HydrophobicContact CD1-CB 4.33Å; F174-V212 HydrophobicContact CD1-CG2 3.79Å; F174-V212 WeakPolarHBondContact CD1-O 3.3Å; F174-V212 WeakPolarHBondContact CE1-O 3.15Å; F174-V212 HydrophobicContact CG-CG2 4.18Å; F174-Y213 HydrophobicContact CD2-CD2 4.31Å; F174-Y213 AromaticContact CE2-CD2 3.64Å; F174-Y213 HydrophobicContact CE2-CD2 3.64Å; F174-Y213 HydrophobicContact CE2-CE2 4.5Å; F174-Y213 HydrophobicContact CZ-CD2 4.04Å
175E92.3Very high94.8Very high61 Ų6128.3 Ų28.329%0.28513%0.134SC..SBendtrans-109.5-47.7171.1-67176.5-161.700111.1D179 T230 K243E175-D179 PolarHBondContact N-OD2 3.21Å; E175-T230 WeakPolarHBondContact O-CB 2.96Å; E175-T230 PolarHBondContact O-OG1 3.16Å; E175-K243 HydrophobicContact CB-CD 4.26Å; E175-K243 WeakPolarHBondContact OE2-CD 3.21Å; E175-K243 IonicContact OE2-NZ 3.19Å
176F94.9Very high94.8Very high0 Ų028.2 Ų28.20%014%0.135CC..SBendtrans-126.2166.2175.2-56.8-80.2000110.7V178 D179 I228 A229 I236 K243 Y244 L247 M263 M267F176-V178 HydrophobicContact CB-CG2 4.16Å; F176-V178 PolarHBondContact O-N 2.87Å; F176-D179 VanDerWaalsContact C-OD1 3.25Å; F176-D179 VanDerWaalsContact CA-OD1 3.26Å; F176-D179 WeakPolarHBondContact CA-OD1 3.43Å; F176-D179 VanDerWaalsContact CB-OD1 3.31Å; F176-D179 WeakPolarHBondContact CB-OD1 3.29Å; F176-D179 PolarHBondContact N-OD1 3.25Å; F176-D179 PolarHBondContact O-N 2.87Å; F176-I228 HydrophobicContact CD1-CG2 3.5Å; F176-I228 HydrophobicContact CE1-CG2 3.64Å; F176-I228 HydrophobicContact CG-CG2 4.26Å; F176-I228 HydrophobicContact CZ-CG2 4.49Å; F176-A229 CarbonylContact C-O 3.34Å; F176-A229 VanDerWaalsContact CA-O 3.32Å; F176-A229 WeakPolarHBondContact CA-O 3.19Å; F176-I236 HydrophobicContact CE1-CD1 4.33Å; F176-I236 HydrophobicContact CZ-CD1 4.39Å; F176-K243 HydrophobicContact CD2-CD 3.99Å; F176-K243 HydrophobicContact CD2-CG 4.26Å; F176-K243 HydrophobicContact CE2-CB 4.18Å; F176-K243 HydrophobicContact CE2-CD 4.08Å; F176-K243 HydrophobicContact CE2-CG 4.07Å; F176-Y244 HydrophobicContact CZ-CD2 4.45Å; F176-L247 HydrophobicContact CB-CD1 4.44Å; F176-L247 HydrophobicContact CD2-CD1 3.74Å; F176-L247 HydrophobicContact CE2-CD1 4.14Å; F176-L247 HydrophobicContact CG-CD1 4.01Å; F176-M263 HydrophobicContact CE1-SD 4.13Å; F176-M267 HydrophobicContact CZ-SD 4.11Å
177S95.6Very high94.7Very high0 Ų030.7 Ų30.70%015%0.153CC..G310 helixtrans-58.5-38.3178.455.10000112.3D179 S180 H222 A229S177-D179 PolarHBondContact O-N 3.32Å; S177-S180 WeakPolarHBondContact O-CB 3.34Å; S177-S180 PolarHBondContact O-N 2.96Å; S177-S180 VanDerWaalsContact O-N 3.17Å; S177-S180 PolarHBondContact O-OG 2.79Å; S177-H222 WeakPolarHBondContact CB-ND1 3.22Å; S177-H222 WeakPolarHBondContact OG-CB 3.47Å; S177-H222 PolarHBondContact OG-ND1 3.22Å; S177-H222 VanDerWaalsContact OG-ND1 3.15Å; S177-A229 PolarHBondContact N-O 3.15Å
178V94.7Very high94.7Very high1 Ų129.8 Ų29.81%0.00615%0.148CC..G310 helixtrans-69.6-15.5-173.2-59.40000114.4S74 L83 F176 H222 L223 T227 L247 F252S74-V178 PolarHBondContact OG-O 3.01Å; L83-V178 HydrophobicContact CD1-CG2 4.46Å; F176-V178 HydrophobicContact CB-CG2 4.16Å; F176-V178 PolarHBondContact O-N 2.87Å; V178-H222 HydrophobicContact CG1-CB 4.25Å; V178-L223 HydrophobicContact CB-CD1 4.07Å; V178-L223 HydrophobicContact CG1-CD1 4.44Å; V178-T227 WeakPolarHBondContact CG1-O 3.4Å; V178-L247 HydrophobicContact CG2-CD1 4.26Å; V178-L247 HydrophobicContact CG2-CD2 4.12Å; V178-F252 HydrophobicContact CB-CE1 4.28Å; V178-F252 HydrophobicContact CG1-CD1 4.27Å; V178-F252 HydrophobicContact CG1-CE1 3.84Å; V178-F252 HydrophobicContact CG2-CE1 4.4Å
179D91.4Very high94.6Very high21 Ų2127.8 Ų27.811%0.11214%0.137CC..G310 helixtrans-117.216176.564.8-70.2000113.1E175 F176 S177 K243E175-D179 PolarHBondContact N-OD2 3.21Å; F176-D179 VanDerWaalsContact C-OD1 3.25Å; F176-D179 VanDerWaalsContact CA-OD1 3.26Å; F176-D179 WeakPolarHBondContact CA-OD1 3.43Å; F176-D179 VanDerWaalsContact CB-OD1 3.31Å; F176-D179 WeakPolarHBondContact CB-OD1 3.29Å; F176-D179 PolarHBondContact N-OD1 3.25Å; F176-D179 PolarHBondContact O-N 2.87Å; S177-D179 PolarHBondContact O-N 3.32Å; D179-K243 IonicContact OD1-NZ 3.01Å; D179-K243 IonicContact OD2-NZ 3.85Å; D179-K243 PolarHBondContact OD2-NZ 3.18Å
180S95.1Very high94.6Very high0 Ų030.1 Ų30.10%015%0.146CC..  trans-91.76.6-175.572.40000114.7S177 S211 V212 Y213S177-S180 WeakPolarHBondContact O-CB 3.34Å; S177-S180 PolarHBondContact O-N 2.96Å; S177-S180 VanDerWaalsContact O-N 3.17Å; S177-S180 PolarHBondContact O-OG 2.79Å; S180-S211 WeakPolarHBondContact O-CA 3.36Å; S180-S211 PolarHBondContact OG-OG 3.49Å; S180-V212 VanDerWaalsContact O-CG2 3.23Å; S180-V212 WeakPolarHBondContact O-CG2 3.39Å; S180-V212 PolarHBondContact O-N 2.81Å; S180-Y213 VanDerWaalsContact OG-CB 3.25Å; S180-Y213 WeakPolarHBondContact OG-CB 3.41Å
181F97.1Very high94.7Very high0 Ų030.3 Ų30.30%015%0.145CC..EExtended strand (participates in β ladder)trans-88132.9-173-59.9-75.4000112.2N69 A73 L77 E210 F216 A219 L223N69-F181 PolarHBondContact OD1-O 2.88Å; N69-F181 VanDerWaalsContact OD1-O 3.11Å; A73-F181 HydrophobicContact CB-CB 3.97Å; A73-F181 VanDerWaalsContact CB-O 3.23Å; A73-F181 WeakPolarHBondContact CB-O 3.43Å; L77-F181 HydrophobicContact CD1-CB 3.72Å; L77-F181 HydrophobicContact CD1-CD1 3.25Å; L77-F181 HydrophobicContact CD1-CD2 3.96Å; L77-F181 HydrophobicContact CD1-CE1 3.71Å; L77-F181 HydrophobicContact CD1-CE2 4.37Å; L77-F181 HydrophobicContact CD1-CG 3.36Å; L77-F181 HydrophobicContact CD1-CZ 4.22Å; F181-E210 CarbonylContact C-O 3.5Å; F181-E210 WeakPolarHBondContact CA-O 3.45Å; F181-F216 HydrophobicContact CD1-CD2 4.32Å; F181-F216 AromaticContact CD1-CE2 3.84Å; F181-F216 HydrophobicContact CD1-CE2 3.84Å; F181-F216 HydrophobicContact CD1-CZ 4.11Å; F181-F216 HydrophobicContact CE1-CD2 4.41Å; F181-F216 HydrophobicContact CE1-CE1 4.42Å; F181-F216 HydrophobicContact CE1-CE2 4.17Å; F181-F216 HydrophobicContact CE1-CZ 4.18Å; F181-A219 HydrophobicContact CE1-CB 3.8Å; F181-A219 HydrophobicContact CE2-CB 4.49Å; F181-A219 VanDerWaalsContact CZ-C 3.5Å; F181-A219 HydrophobicContact CZ-CB 3.63Å; F181-L223 HydrophobicContact CE2-CB 4.27Å; F181-L223 HydrophobicContact CE2-CD2 3.85Å; F181-L223 HydrophobicContact CZ-CD2 4.42Å
182Q97.9Very high94.6Very high9 Ų926.2 Ų26.24%0.04213%0.134CC..EExtended strand (participates in β ladder)trans-125.9126171-65.4-179.312.800109.5R67 L68 N69 G209 E210 V212R67-Q182 HydrophobicContact CB-CB 4.4Å; R67-Q182 VanDerWaalsContact CD-OE1 3.23Å; L68-Q182 CarbonylContact O-C 3.56Å; L68-Q182 VanDerWaalsContact O-CA 3.27Å; L68-Q182 WeakPolarHBondContact O-CA 3.44Å; N69-Q182 HydrophobicContact CB-CG 4.34Å; N69-Q182 WeakPolarHBondContact OD1-CG 3.37Å; Q182-G209 CarbonylContact O-C 3.54Å; Q182-E210 PolarHBondContact N-O 2.98Å; Q182-E210 PolarHBondContact O-N 3.24Å; Q182-V212 HydrophobicContact CG-CG1 4.42Å
183I98.6Very high94.6Very high0 Ų031.1 Ų31.10%015%0.152CC..EExtended strand (participates in β ladder)trans-107.4120.4-179-57.7170.1000108.8L14 L22 R67 L68 A73 V76 L77 L185 V207L14-I183 HydrophobicContact CD2-CD1 4.18Å; L14-I183 HydrophobicContact CD2-CG1 4.49Å; L14-I183 HydrophobicContact CD2-CG2 3.85Å; L22-I183 HydrophobicContact CD1-CG2 4.43Å; L22-I183 HydrophobicContact CD2-CG2 3.74Å; R67-I183 CarbonylContact C-O 3.6Å; R67-I183 WeakPolarHBondContact CA-O 3.26Å; L68-I183 HydrophobicContact CB-CB 4.43Å; L68-I183 PolarHBondContact N-O 3.09Å; L68-I183 PolarHBondContact O-N 3.45Å; A73-I183 HydrophobicContact CB-CD1 4.03Å; A73-I183 HydrophobicContact CB-CG1 4.16Å; V76-I183 HydrophobicContact CB-CD1 3.66Å; V76-I183 HydrophobicContact CG1-CD1 3.55Å; V76-I183 HydrophobicContact CG2-CD1 4.21Å; L77-I183 HydrophobicContact CD2-CD1 4.4Å; L77-I183 HydrophobicContact CG-CD1 4.36Å; I183-L185 PolarHBondContact O-N 3.1Å; I183-V207 HydrophobicContact CG2-CG1 3.56Å
184C98.3Very high94.8Very high27 Ų2732.1 Ų32.118%0.18217%0.167CC..EExtended strand (participates in β ladder)trans-70.7121.6178.8-175.10000110.6V207 I208C184-V207 WeakPolarHBondContact O-CG1 3.28Å; C184-I208 WeakPolarHBondContact CB-O 3.39Å; C184-I208 PolarHBondContact N-O 2.79Å
185L98.4Very high94.7Very high0 Ų032.2 Ų32.20%017%0.171CC..  trans-90.9-15.7-174.2-56.1-174.5000113L22 L26 V66 L68 L90 I183 S187 L188 L189L22-L185 HydrophobicContact CD1-CD2 3.94Å; L22-L185 HydrophobicContact CD2-CD2 4.15Å; L22-L185 HydrophobicContact CG-CD2 4.46Å; L26-L185 HydrophobicContact CD1-CD1 4.36Å; L26-L185 HydrophobicContact CD1-CD2 3.86Å; L26-L185 HydrophobicContact CD2-CD1 4.32Å; V66-L185 HydrophobicContact CG1-CD1 4.16Å; V66-L185 WeakPolarHBondContact O-CB 3.41Å; V66-L185 PolarHBondContact O-N 3.43Å; L68-L185 HydrophobicContact CB-CD1 4.4Å; L68-L185 HydrophobicContact CB-CD2 3.99Å; L68-L185 HydrophobicContact CB-CG 4.47Å; L90-L185 HydrophobicContact CD2-CD1 3.94Å; I183-L185 PolarHBondContact O-N 3.1Å; L185-S187 VanDerWaalsContact C-N 3.32Å; L185-S187 PolarHBondContact O-N 3.19Å; L185-L188 WeakPolarHBondContact O-CB 3.45Å; L185-L188 PolarHBondContact O-N 3.48Å; L185-L189 HydrophobicContact CB-CD1 3.81Å; L185-L189 HydrophobicContact CB-CG 4.16Å; L185-L189 VanDerWaalsContact O-CG 3.29Å; L185-L189 WeakPolarHBondContact O-CG 3.45Å; L185-L189 PolarHBondContact O-N 2.96Å
186D97.4Very high94.5Very high37 Ų3738.9 Ų38.920%0.19820%0.202CC..Hα-helixtrans-55.3-41.8-168.8-82.332.8000114R53 V66 L190R53-D186 IonicContact CZ-OD2 3.79Å; R53-D186 IonicContact NH1-OD1 3.55Å; R53-D186 PolarHBondContact NH1-OD1 3.25Å; R53-D186 IonicContact NH1-OD2 2.62Å; R53-D186 PolarHBondContact NH1-OD2 2.87Å; R53-D186 IonicContact NH2-OD2 3.49Å; R53-D186 PolarHBondContact NH2-OD2 3.4Å; V66-D186 PolarHBondContact N-OD1 2.85Å; D186-L190 VanDerWaalsContact O-CB 3.3Å; D186-L190 WeakPolarHBondContact O-CB 3.47Å; D186-L190 PolarHBondContact O-N 2.84Å
187S96.8Very high94.3Very high53 Ų5342.9 Ų42.937%0.37123%0.227SC..Hα-helixtrans-68.8-37-179.8-61.70000112.1L185 F191 T206L185-S187 VanDerWaalsContact C-N 3.32Å; L185-S187 PolarHBondContact O-N 3.19Å; S187-F191 PolarHBondContact O-N 3.23Å; S187-T206 VanDerWaalsContact CB-O 3.27Å; S187-T206 WeakPolarHBondContact CB-O 3.37Å; S187-T206 PolarHBondContact OG-O 3.44Å
188L96.4Very high94.1Very high1 Ų147.9 Ų47.91%0.00526%0.259CS..Hα-helixtrans-69.8-45.6176.6-176.963.6000111.2L22 L26 L185 L190 F191 D192 M199 P205 V207L22-L188 HydrophobicContact CD2-CD2 3.84Å; L22-L188 HydrophobicContact CG-CD2 3.93Å; L26-L188 HydrophobicContact CD1-CD2 3.67Å; L185-L188 WeakPolarHBondContact O-CB 3.45Å; L185-L188 PolarHBondContact O-N 3.48Å; L188-L190 VanDerWaalsContact C-N 3.29Å; L188-L190 PolarHBondContact O-N 3.44Å; L188-F191 WeakPolarHBondContact O-CB 3.41Å; L188-F191 PolarHBondContact O-N 2.89Å; L188-D192 PolarHBondContact O-N 2.87Å; L188-D192 VanDerWaalsContact O-N 3.1Å; L188-M199 HydrophobicContact CD1-CE 3.64Å; L188-M199 HydrophobicContact CD1-SD 3.67Å; L188-P205 HydrophobicContact CB-CG 4.47Å; L188-P205 HydrophobicContact CD1-CG 3.88Å; L188-V207 HydrophobicContact CB-CG2 4.38Å
189L94.5Very high94.1Very high6 Ų649.5 Ų49.53%0.03127%0.267CS..Hα-helixtrans-64.7-32.7177.3-62.5167.8000112.6R46 V49 Q50 L185 R193R46-L189 HydrophobicContact CG-CD2 4.05Å; V49-L189 HydrophobicContact CG1-CD1 3.48Å; V49-L189 VanDerWaalsContact CG1-CD1 3.48Å; V49-L189 HydrophobicContact CG1-CD2 4.19Å; V49-L189 HydrophobicContact CG1-CG 4.49Å; Q50-L189 HydrophobicContact CG-CD2 4.05Å; L185-L189 HydrophobicContact CB-CD1 3.81Å; L185-L189 HydrophobicContact CB-CG 4.16Å; L185-L189 VanDerWaalsContact O-CG 3.29Å; L185-L189 WeakPolarHBondContact O-CG 3.45Å; L185-L189 PolarHBondContact O-N 2.96Å; L189-R193 WeakPolarHBondContact O-CG 3.46Å; L189-R193 PolarHBondContact O-N 2.85Å
190L94.3Very high94.3Very high87 Ų8750.5 Ų50.546%0.45528%0.276SS..Hα-helixtrans-69.3-43.9173.7-17964.8000111.2D186 L188 D192 R193 C194D186-L190 VanDerWaalsContact O-CB 3.3Å; D186-L190 WeakPolarHBondContact O-CB 3.47Å; D186-L190 PolarHBondContact O-N 2.84Å; L188-L190 VanDerWaalsContact C-N 3.29Å; L188-L190 PolarHBondContact O-N 3.44Å; L190-D192 VanDerWaalsContact C-N 3.31Å; L190-D192 PolarHBondContact O-N 3.18Å; L190-R193 PolarHBondContact O-N 2.88Å; L190-R193 VanDerWaalsContact O-N 3.14Å; L190-C194 PolarHBondContact O-N 2.79Å; L190-C194 VanDerWaalsContact O-N 3.15Å; L190-C194 PolarHBondContact O-SG 2.86Å
191F94.8Very high94.4Very high29 Ų2957.5 Ų57.513%0.12731%0.308CS..Hα-helixtrans-55.5-47.3176.7-177.5-87.6000111.4S187 L188 R193 C194 S195 M199 F203 P205S187-F191 PolarHBondContact O-N 3.23Å; L188-F191 WeakPolarHBondContact O-CB 3.41Å; L188-F191 PolarHBondContact O-N 2.89Å; F191-R193 PolarHBondContact O-N 2.78Å; F191-C194 PolarHBondContact O-N 2.92Å; F191-C194 VanDerWaalsContact O-N 3.11Å; F191-S195 WeakPolarHBondContact CZ-OG 3.12Å; F191-S195 VanDerWaalsContact O-CB 3.31Å; F191-S195 WeakPolarHBondContact O-CB 3.28Å; F191-S195 PolarHBondContact O-N 3.41Å; F191-M199 HydrophobicContact CD1-CG 3.82Å; F191-M199 HydrophobicContact CD1-SD 4.25Å; F191-M199 HydrophobicContact CE1-CB 4.46Å; F191-M199 HydrophobicContact CE1-CG 3.25Å; F191-M199 HydrophobicContact CE1-SD 4.25Å; F191-M199 HydrophobicContact CZ-CG 3.65Å; F191-F203 HydrophobicContact CE2-CD1 4.05Å; F191-F203 AromaticContact CE2-CE1 3.5Å; F191-F203 HydrophobicContact CE2-CE1 3.5Å; F191-F203 HydrophobicContact CE2-CE2 4.34Å; F191-F203 AromaticContact CE2-CZ 3.67Å; F191-F203 HydrophobicContact CE2-CZ 3.67Å; F191-F203 AromaticContact CZ-CD1 3.83Å; F191-F203 HydrophobicContact CZ-CD1 3.83Å; F191-F203 AromaticContact CZ-CE1 3.41Å; F191-F203 HydrophobicContact CZ-CE1 3.41Å; F191-F203 VanDerWaalsContact CZ-CE1 3.41Å; F191-F203 HydrophobicContact CZ-CZ 4.07Å; F191-P205 HydrophobicContact CB-CB 4.04Å; F191-P205 HydrophobicContact CB-CG 3.83Å; F191-P205 HydrophobicContact CD2-CB 4.34Å; F191-P205 HydrophobicContact CD2-CG 4.28Å; F191-P205 HydrophobicContact CG-CB 4.41Å; F191-P205 HydrophobicContact CG-CG 4.03Å
192D89.4Confident94.3Very high46 Ų4663 Ų6325%0.24635%0.347CS..Hα-helixtrans-60.4-30.9178.8-68.7-27.5000113.9R46 L188 L190R46-D192 WeakPolarHBondContact CD-OD2 3.09Å; R46-D192 IonicContact CZ-OD2 3.84Å; R46-D192 IonicContact NE-OD2 3.01Å; R46-D192 IonicContact NH1-OD1 2.68Å; R46-D192 PolarHBondContact NH1-OD1 3.31Å; R46-D192 IonicContact NH1-OD2 2.67Å; R46-D192 PolarHBondContact NH1-OD2 3Å; L188-D192 PolarHBondContact O-N 2.87Å; L188-D192 VanDerWaalsContact O-N 3.1Å; L190-D192 VanDerWaalsContact C-N 3.31Å; L190-D192 PolarHBondContact O-N 3.18Å
193R88.6Confident94.2Very high166 Ų16667.2 Ų67.263%0.62637%0.365SS*.Hα-helixtrans-80.6-26.1178.6-71.6-172.2-60.7170.31.9113L189 L190 F191L189-R193 WeakPolarHBondContact O-CG 3.46Å; L189-R193 PolarHBondContact O-N 2.85Å; L190-R193 PolarHBondContact O-N 2.88Å; L190-R193 VanDerWaalsContact O-N 3.14Å; F191-R193 PolarHBondContact O-N 2.78Å
194C91.6Very high94.1Very high102 Ų10270.1 Ų70.169%0.68938%0.379SS*.Hα-helixtrans-111.5-19.4-168.4-64.70000113.7L190 F191L190-C194 PolarHBondContact O-N 2.79Å; L190-C194 VanDerWaalsContact O-N 3.15Å; L190-C194 PolarHBondContact O-SG 2.86Å; F191-C194 PolarHBondContact O-N 2.92Å; F191-C194 VanDerWaalsContact O-N 3.11Å
195S90.5Very high94Very high30 Ų3069.6 Ų69.621%0.2138%0.375CS..  trans-108.4124.9-177.6-176.50000111.4F191 T197F191-S195 WeakPolarHBondContact CZ-OG 3.12Å; F191-S195 VanDerWaalsContact O-CB 3.31Å; F191-S195 WeakPolarHBondContact O-CB 3.28Å; F191-S195 PolarHBondContact O-N 3.41Å; S195-T197 VanDerWaalsContact C-N 3.32Å; S195-T197 PolarHBondContact OG-N 3.45Å; S195-T197 VanDerWaalsContact OG-N 3.16Å; S195-T197 PolarHBondContact OG-O 3.14Å
196E88.6Confident94Very high201 Ų20173.8 Ų73.894%0.93940%0.401SS*.SBendtrans-82.3-15.5167-62.3-179.1177.200112
197T90.5Very high94.1Very high84 Ų8472 Ų7252%0.51539%0.391SS..SBendtrans-88.3131-178.2-55.90000109.9S195 F203S195-T197 VanDerWaalsContact C-N 3.32Å; S195-T197 PolarHBondContact OG-N 3.45Å; S195-T197 VanDerWaalsContact OG-N 3.16Å; S195-T197 PolarHBondContact OG-O 3.14Å; T197-F203 HydrophobicContact CG2-CD1 4.17Å; T197-F203 HydrophobicContact CG2-CE1 4.18Å
198P91.3Very high94.1Very high105 Ų10572.3 Ų72.368%0.68239%0.388SS*.PPolyproline II helixtrans-63.9152.5176.228.1-35.1000111.2
199M95.4Very high94.2Very high35 Ų3572.3 Ų72.317%0.17239%0.388CS..PPolyproline II helixtrans-65.1147.1178.2-71.2-173.5-72.700112.2W16 V19 D23 L188 F191 F203 H204 P205W16-M199 HydrophobicContact CH2-CB 3.88Å; W16-M199 HydrophobicContact CZ3-CB 4.02Å; V19-M199 HydrophobicContact CG1-SD 4.32Å; D23-M199 HydrophobicContact CB-CE 3.54Å; D23-M199 WeakPolarHBondContact OD1-CE 3.32Å; L188-M199 HydrophobicContact CD1-CE 3.64Å; L188-M199 HydrophobicContact CD1-SD 3.67Å; F191-M199 HydrophobicContact CD1-CG 3.82Å; F191-M199 HydrophobicContact CD1-SD 4.25Å; F191-M199 HydrophobicContact CE1-CB 4.46Å; F191-M199 HydrophobicContact CE1-CG 3.25Å; F191-M199 HydrophobicContact CE1-SD 4.25Å; F191-M199 HydrophobicContact CZ-CG 3.65Å; M199-F203 WeakPolarHBondContact CA-O 3.47Å; M199-H204 HydrophobicContact CB-CB 4.43Å; M199-H204 HydrophobicContact CG-CB 4.37Å; M199-H204 HydrophobicContact SD-CB 4.23Å; M199-P205 WeakPolarHBondContact SD-CD 3.44Å; M199-P205 HydrophobicContact SD-CG 4.1Å
200S95.9Very high94.4Very high43 Ų4372.7 Ų72.730%0.30139%0.39SS..BIsolated β-bridgetrans-142.1168.3171.564.30000110.4W16 S202 F203 H204W16-S200 VanDerWaalsContact CH2-C 3.45Å; W16-S200 WeakPolarHBondContact CZ3-O 3.49Å; S200-S202 PolarHBondContact O-N 3.07Å; S200-S202 VanDerWaalsContact O-N 3.16Å; S200-S202 PolarHBondContact OG-OG 3.08Å; S200-F203 PolarHBondContact N-O 3.05Å; S200-F203 CarbonylContact O-C 3.13Å; S200-F203 PolarHBondContact O-N 3.41Å; S200-F203 VanDerWaalsContact O-O 3.07Å; S200-F203 WeakPolarHBondContact OG-CB 3.44Å; S200-F203 PolarHBondContact OG-N 2.9Å; S200-H204 PolarHBondContact O-ND1 3.24Å; S200-H204 VanDerWaalsContact O-ND1 3.08Å
201E95.8Very high94.5Very high146 Ų14668.5 Ų68.568%0.68237%0.368SS*.THydrogen-bonded Turntrans-55.1-35.4176.7-172.8177.1-175.900112.5W16 H204W16-E201 HydrophobicContact CB-CG 4.28Å; W16-E201 HydrophobicContact CD2-CB 4.19Å; W16-E201 HydrophobicContact CG-CB 4.03Å; W16-E201 HydrophobicContact CG-CG 3.92Å; E201-H204 PolarHBondContact O-CE1 3.28Å; E201-H204 PolarHBondContact O-ND1 2.97Å
202S95.4Very high94.5Very high116 Ų11668.3 Ų68.381%0.81137%0.369SS*.THydrogen-bonded Turntrans-86-10.517651.90000114.6S200S200-S202 PolarHBondContact O-N 3.07Å; S200-S202 VanDerWaalsContact O-N 3.16Å; S200-S202 PolarHBondContact OG-OG 3.08Å
203F95.8Very high94.8Very high98 Ų9866.9 Ų66.943%0.4336%0.36SS..BIsolated β-bridgetrans-145.788.6-174.7-174.7-113.5000110.9F191 T197 M199 S200F191-F203 HydrophobicContact CE2-CD1 4.05Å; F191-F203 AromaticContact CE2-CE1 3.5Å; F191-F203 HydrophobicContact CE2-CE1 3.5Å; F191-F203 HydrophobicContact CE2-CE2 4.34Å; F191-F203 AromaticContact CE2-CZ 3.67Å; F191-F203 HydrophobicContact CE2-CZ 3.67Å; F191-F203 AromaticContact CZ-CD1 3.83Å; F191-F203 HydrophobicContact CZ-CD1 3.83Å; F191-F203 AromaticContact CZ-CE1 3.41Å; F191-F203 HydrophobicContact CZ-CE1 3.41Å; F191-F203 VanDerWaalsContact CZ-CE1 3.41Å; F191-F203 HydrophobicContact CZ-CZ 4.07Å; T197-F203 HydrophobicContact CG2-CD1 4.17Å; T197-F203 HydrophobicContact CG2-CE1 4.18Å; M199-F203 WeakPolarHBondContact CA-O 3.47Å; S200-F203 PolarHBondContact N-O 3.05Å; S200-F203 CarbonylContact O-C 3.13Å; S200-F203 PolarHBondContact O-N 3.41Å; S200-F203 VanDerWaalsContact O-O 3.07Å; S200-F203 WeakPolarHBondContact OG-CB 3.44Å; S200-F203 PolarHBondContact OG-N 2.9Å
204H96.5Very high95Very high61 Ų6160.3 Ų60.328%0.28235%0.345SS..  trans-149.6155.3177.660.3-91.7000110.4W16 M199 S200 E201W16-H204 HydrophobicContact CE3-CB 3.77Å; W16-H204 AromaticContact CE3-CE1 3.92Å; W16-H204 AromaticContact CE3-CG 3.5Å; W16-H204 VanDerWaalsContact CE3-CG 3.5Å; W16-H204 AromaticContact CE3-ND1 3.4Å; W16-H204 HydrophobicContact CZ3-CB 3.5Å; W16-H204 VanDerWaalsContact CZ3-CB 3.5Å; W16-H204 AromaticContact CZ3-CG 3.8Å; W16-H204 AromaticContact CZ3-ND1 3.95Å; M199-H204 HydrophobicContact CB-CB 4.43Å; M199-H204 HydrophobicContact CG-CB 4.37Å; M199-H204 HydrophobicContact SD-CB 4.23Å; S200-H204 PolarHBondContact O-ND1 3.24Å; S200-H204 VanDerWaalsContact O-ND1 3.08Å; E201-H204 PolarHBondContact O-CE1 3.28Å; E201-H204 PolarHBondContact O-ND1 2.97Å
205P97.1Very high95.2Very high15 Ų1556.8 Ų56.810%0.09732%0.319CS..  trans-71.6147.3177.429.5-32.3000111.1L188 F191 M199 V207L188-P205 HydrophobicContact CB-CG 4.47Å; L188-P205 HydrophobicContact CD1-CG 3.88Å; F191-P205 HydrophobicContact CB-CB 4.04Å; F191-P205 HydrophobicContact CB-CG 3.83Å; F191-P205 HydrophobicContact CD2-CB 4.34Å; F191-P205 HydrophobicContact CD2-CG 4.28Å; F191-P205 HydrophobicContact CG-CB 4.41Å; F191-P205 HydrophobicContact CG-CG 4.03Å; M199-P205 WeakPolarHBondContact SD-CD 3.44Å; M199-P205 HydrophobicContact SD-CG 4.1Å; P205-V207 HydrophobicContact CG-CG2 4.48Å; P205-V207 PolarHBondContact O-N 3.33Å
206T97.8Very high95.6Very high89 Ų8955.7 Ų55.755%0.54631%0.31SS..  trans-70.5114.4169.4-54.20000109.5V13 S187 I208V13-T206 HydrophobicContact CG1-CG2 3.7Å; V13-T206 HydrophobicContact CG2-CG2 4.35Å; S187-T206 VanDerWaalsContact CB-O 3.27Å; S187-T206 WeakPolarHBondContact CB-O 3.37Å; S187-T206 PolarHBondContact OG-O 3.44Å; T206-I208 HydrophobicContact CG2-CD1 4.15Å
207V98.3Very high95.9Very high0 Ų051.1 Ų51.10%029%0.289CS..  trans-104.3134.2177.6-178.50000109.9L14 V19 L22 I183 C184 L188 P205L14-V207 HydrophobicContact CB-CB 4.33Å; L14-V207 HydrophobicContact CD2-CB 4.43Å; L14-V207 HydrophobicContact CD2-CG1 3.96Å; L14-V207 PolarHBondContact N-O 3.19Å; V19-V207 HydrophobicContact CG1-CG2 4.22Å; V19-V207 HydrophobicContact CG2-CB 4.02Å; V19-V207 HydrophobicContact CG2-CG2 3.92Å; L22-V207 HydrophobicContact CD2-CG1 3.82Å; I183-V207 HydrophobicContact CG2-CG1 3.56Å; C184-V207 WeakPolarHBondContact O-CG1 3.28Å; L188-V207 HydrophobicContact CB-CG2 4.38Å; P205-V207 HydrophobicContact CG-CG2 4.48Å; P205-V207 PolarHBondContact O-N 3.33Å
208I98.3Very high96.3Very high58 Ų5850 Ų5030%0.29728%0.278SS..EExtended strand (participates in β ladder)trans-106.6127.6-179-55-59000110.3F11 V13 C184 T206F11-I208 HydrophobicContact CB-CG2 4.29Å; F11-I208 HydrophobicContact CD1-CG2 3.89Å; F11-I208 HydrophobicContact CG-CG2 4.45Å; V13-I208 HydrophobicContact CB-CD1 4.41Å; V13-I208 HydrophobicContact CG2-CD1 3.68Å; C184-I208 WeakPolarHBondContact CB-O 3.39Å; C184-I208 PolarHBondContact N-O 2.79Å; T206-I208 HydrophobicContact CG2-CD1 4.15Å
209G97.8Very high96.5Very high1 Ų145 Ų451%0.0125%0.245CC..EExtended strand (participates in β ladder)trans-96.6145.8166.400000110.9F11 C12 L14 Q182F11-G209 CarbonylContact C-O 3.56Å; F11-G209 VanDerWaalsContact CA-O 3.31Å; F11-G209 WeakPolarHBondContact CA-O 3.27Å; C12-G209 PolarHBondContact N-O 3.1Å; C12-G209 PolarHBondContact O-N 2.66Å; L14-G209 VanDerWaalsContact CD1-N 3.27Å; Q182-G209 CarbonylContact O-C 3.54Å
210E97.7Very high96.6Very high14 Ų1444.3 Ų44.37%0.06524%0.242CC..EExtended strand (participates in β ladder)trans-122.5140.6172.4-177.3176.4168.400109.7R10 F11 R67 F181 Q182R10-E210 HydrophobicContact CG-CG 4.22Å; R10-E210 IonicContact CZ-OE1 2.86Å; R10-E210 IonicContact NE-OE1 3.67Å; R10-E210 IonicContact NH1-OE1 2.83Å; R10-E210 PolarHBondContact NH1-OE1 3.35Å; R10-E210 IonicContact NH1-OE2 3.71Å; R10-E210 CarbonylContact O-C 3.59Å; R10-E210 VanDerWaalsContact O-CA 3.26Å; R10-E210 WeakPolarHBondContact O-CA 3.31Å; F11-E210 HydrophobicContact CD1-CB 3.81Å; F11-E210 HydrophobicContact CD1-CG 3.98Å; F11-E210 HydrophobicContact CE1-CB 3.77Å; F11-E210 HydrophobicContact CE1-CG 3.69Å; F11-E210 VanDerWaalsContact CE1-OE2 3.3Å; F11-E210 WeakPolarHBondContact CE1-OE2 3.47Å; F11-E210 HydrophobicContact CZ-CG 4.45Å; R67-E210 IonicContact CZ-OE2 3.82Å; R67-E210 IonicContact NH1-OE2 3.74Å; R67-E210 PolarHBondContact NH1-OE2 3.43Å; R67-E210 IonicContact NH2-OE2 2.95Å; F181-E210 CarbonylContact C-O 3.5Å; F181-E210 WeakPolarHBondContact CA-O 3.45Å; Q182-E210 PolarHBondContact N-O 2.98Å; Q182-E210 PolarHBondContact O-N 3.24Å
211S97.3Very high96.6Very high0 Ų045.5 Ų45.50%025%0.245CC..EExtended strand (participates in β ladder)trans-107.7112.3166.2177.30000109.5R10 S180 Y213 G214 A219R10-S211 PolarHBondContact O-N 3.06Å; S180-S211 WeakPolarHBondContact O-CA 3.36Å; S180-S211 PolarHBondContact OG-OG 3.49Å; S211-Y213 PolarHBondContact O-N 2.84Å; S211-Y213 WeakPolarHBondContact OG-CB 3.5Å; S211-Y213 PolarHBondContact OG-N 2.86Å; S211-G214 PolarHBondContact O-N 3.39Å; S211-G214 VanDerWaalsContact O-N 3.09Å; S211-A219 WeakPolarHBondContact OG-CB 3.16Å
212V95.2Very high96.7Very high24 Ų2439.8 Ų39.815%0.14522%0.218CC..THydrogen-bonded Turntrans-73.9-4.3176.6-62.60000112.8Q173 F174 S180 Q182 G214Q173-V212 HydrophobicContact CB-CB 4.09Å; Q173-V212 HydrophobicContact CB-CG1 4.37Å; Q173-V212 HydrophobicContact CB-CG2 3.79Å; F174-V212 HydrophobicContact CB-CG2 3.85Å; F174-V212 HydrophobicContact CD1-CB 4.33Å; F174-V212 HydrophobicContact CD1-CG2 3.79Å; F174-V212 WeakPolarHBondContact CD1-O 3.3Å; F174-V212 WeakPolarHBondContact CE1-O 3.15Å; F174-V212 HydrophobicContact CG-CG2 4.18Å; S180-V212 VanDerWaalsContact O-CG2 3.23Å; S180-V212 WeakPolarHBondContact O-CG2 3.39Å; S180-V212 PolarHBondContact O-N 2.81Å; Q182-V212 HydrophobicContact CG-CG1 4.42Å; V212-G214 VanDerWaalsContact C-N 3.26Å
213Y94.9Very high96.7Very high16 Ų1634.2 Ų34.26%0.06318%0.18CC..THydrogen-bonded Turntrans-69.3-25.2166.5174.6-103.2000112.3F174 S180 S211 E218 A219 R231F174-Y213 HydrophobicContact CD2-CD2 4.31Å; F174-Y213 AromaticContact CE2-CD2 3.64Å; F174-Y213 HydrophobicContact CE2-CD2 3.64Å; F174-Y213 HydrophobicContact CE2-CE2 4.5Å; F174-Y213 HydrophobicContact CZ-CD2 4.04Å; S180-Y213 VanDerWaalsContact OG-CB 3.25Å; S180-Y213 WeakPolarHBondContact OG-CB 3.41Å; S211-Y213 PolarHBondContact O-N 2.84Å; S211-Y213 WeakPolarHBondContact OG-CB 3.5Å; S211-Y213 PolarHBondContact OG-N 2.86Å; Y213-E218 HydrophobicContact CE1-CG 4.31Å; Y213-E218 PolarHBondContact OH-OE1 3.47Å; Y213-A219 HydrophobicContact CD1-CB 4.15Å; Y213-R231 HydrophobicContact CD2-CG 4.33Å; Y213-R231 HydrophobicContact CE1-CG 4.49Å; Y213-R231 HydrophobicContact CE2-CB 4.05Å; Y213-R231 HydrophobicContact CE2-CG 3.55Å; Y213-R231 VanDerWaalsContact CZ-NE 3.27Å; Y213-R231 WeakPolarHBondContact O-CD 3.48Å; Y213-R231 PolarHBondContact OH-NE 2.97Å
214G93.9Very high96.7Very high29 Ų2932.3 Ų32.330%0.29918%0.178SC..SBendtrans124.3-50.2171.500000114R10 S211 V212R10-G214 WeakPolarHBondContact CA-O 3.46Å; R10-G214 WeakPolarHBondContact CB-O 3.47Å; R10-G214 PolarHBondContact N-O 3.05Å; S211-G214 PolarHBondContact O-N 3.39Å; S211-G214 VanDerWaalsContact O-N 3.09Å; V212-G214 VanDerWaalsContact C-N 3.26Å
215D96.1Very high96.6Very high28 Ų2838.3 Ų38.315%0.1520%0.198CC..  trans-112.3119.7175.4-170.8-54.9000109.6Q217 E218 A219D215-Q217 PolarHBondContact OD1-N 3.16Å; D215-E218 HydrophobicContact CB-CB 3.9Å; D215-E218 PolarHBondContact OD1-N 3Å; D215-A219 WeakPolarHBondContact O-CB 3.21Å; D215-A219 PolarHBondContact O-N 3.45Å; D215-A219 VanDerWaalsContact O-N 3.08Å
216F97.2Very high96.6Very high7 Ų742.2 Ų42.23%0.03121%0.211CC..Hα-helixtrans-67.2-43.5-176-168.2-78.5000111.9R9 C12 L77 F181 A219 M220R9-F216 WeakPolarHBondContact O-CB 3.36Å; R9-F216 PolarHBondContact O-N 3.25Å; C12-F216 HydrophobicContact CB-CB 4.31Å; C12-F216 HydrophobicContact CB-CD1 3.27Å; C12-F216 HydrophobicContact CB-CD2 3.92Å; C12-F216 HydrophobicContact CB-CE1 3.4Å; C12-F216 HydrophobicContact CB-CE2 4.04Å; C12-F216 HydrophobicContact CB-CG 3.55Å; C12-F216 HydrophobicContact CB-CZ 3.79Å; L77-F216 HydrophobicContact CD1-CE1 4.49Å; L77-F216 HydrophobicContact CD1-CE2 4.26Å; L77-F216 HydrophobicContact CD1-CZ 3.67Å; L77-F216 HydrophobicContact CD2-CZ 3.93Å; L77-F216 HydrophobicContact CG-CZ 4.46Å; F181-F216 HydrophobicContact CD1-CD2 4.32Å; F181-F216 AromaticContact CD1-CE2 3.84Å; F181-F216 HydrophobicContact CD1-CE2 3.84Å; F181-F216 HydrophobicContact CD1-CZ 4.11Å; F181-F216 HydrophobicContact CE1-CD2 4.41Å; F181-F216 HydrophobicContact CE1-CE1 4.42Å; F181-F216 HydrophobicContact CE1-CE2 4.17Å; F181-F216 HydrophobicContact CE1-CZ 4.18Å; F216-A219 PolarHBondContact O-N 2.9Å; F216-M220 WeakPolarHBondContact O-CB 3.15Å; F216-M220 PolarHBondContact O-N 3.32Å
217Q96.8Very high96.6Very high105 Ų10538.9 Ų38.949%0.49119%0.19SC..Hα-helixtrans-71.1-38.9-175-171.157.650.700110.5D215 M220 D221D215-Q217 PolarHBondContact OD1-N 3.16Å; Q217-M220 WeakPolarHBondContact O-CB 2.89Å; Q217-M220 PolarHBondContact O-N 2.7Å; Q217-D221 PolarHBondContact NE2-OD1 3.39Å; Q217-D221 VanDerWaalsContact NE2-OD1 3.13Å; Q217-D221 PolarHBondContact O-N 3.37Å
218E96.9Very high96.5Very high59 Ų5938.9 Ų38.928%0.27619%0.19SC..Hα-helixtrans-64-44.1174-174.6-179.3148.800112.2Y213 D215 M220 D221 H222 R231Y213-E218 HydrophobicContact CE1-CG 4.31Å; Y213-E218 PolarHBondContact OH-OE1 3.47Å; D215-E218 HydrophobicContact CB-CB 3.9Å; D215-E218 PolarHBondContact OD1-N 3Å; E218-M220 VanDerWaalsContact C-N 3.27Å; E218-M220 PolarHBondContact O-N 2.81Å; E218-D221 PolarHBondContact O-N 2.83Å; E218-H222 VanDerWaalsContact O-CG 3.27Å; E218-H222 PolarHBondContact O-N 3.02Å; E218-H222 PolarHBondContact O-ND1 2.95Å; E218-H222 IonicContact OE1-CE1 3.55Å; E218-R231 IonicContact OE1-CZ 2.82Å; E218-R231 IonicContact OE1-NE 2.68Å; E218-R231 IonicContact OE1-NH2 2.92Å; E218-R231 PolarHBondContact OE1-NH2 2.99Å; E218-R231 IonicContact OE2-CZ 2.77Å; E218-R231 IonicContact OE2-NH2 3.97Å; E218-R231 PolarHBondContact OE2-NH2 3.47Å
219A96.9Very high96.3Very high0 Ų036.2 Ų36.20%018%0.177CC..Hα-helixtrans-62.1-37.7174.400000111.7F181 S211 Y213 D215 F216 H222 L223F181-A219 HydrophobicContact CE1-CB 3.8Å; F181-A219 HydrophobicContact CE2-CB 4.49Å; F181-A219 VanDerWaalsContact CZ-C 3.5Å; F181-A219 HydrophobicContact CZ-CB 3.63Å; S211-A219 WeakPolarHBondContact OG-CB 3.16Å; Y213-A219 HydrophobicContact CD1-CB 4.15Å; D215-A219 WeakPolarHBondContact O-CB 3.21Å; D215-A219 PolarHBondContact O-N 3.45Å; D215-A219 VanDerWaalsContact O-N 3.08Å; F216-A219 PolarHBondContact O-N 2.9Å; A219-H222 WeakPolarHBondContact O-CB 3.34Å; A219-H222 PolarHBondContact O-N 3.48Å; A219-L223 PolarHBondContact O-N 3.19Å
220M96.9Very high96.1Very high22 Ų2237.1 Ų37.111%0.10818%0.182CC..Hα-helixtrans-66-42.4177-170.763.8-173.900111.4L77 H78 F216 Q217 E218 H222 L223 C224L77-M220 HydrophobicContact CB-CE 4.29Å; L77-M220 HydrophobicContact CB-SD 4.02Å; L77-M220 WeakPolarHBondContact O-CE 3.25Å; H78-M220 HydrophobicContact CB-CE 3.92Å; F216-M220 WeakPolarHBondContact O-CB 3.15Å; F216-M220 PolarHBondContact O-N 3.32Å; Q217-M220 WeakPolarHBondContact O-CB 2.89Å; Q217-M220 PolarHBondContact O-N 2.7Å; E218-M220 VanDerWaalsContact C-N 3.27Å; E218-M220 PolarHBondContact O-N 2.81Å; M220-H222 VanDerWaalsContact C-N 3.32Å; M220-H222 PolarHBondContact O-N 3.45Å; M220-L223 WeakPolarHBondContact O-CB 3.43Å; M220-L223 PolarHBondContact O-N 2.92Å; M220-L223 VanDerWaalsContact O-N 3.13Å; M220-L223 HydrophobicContact SD-CD2 4.32Å; M220-C224 PolarHBondContact O-N 2.95Å; M220-C224 PolarHBondContact O-SG 3.29Å
221D97Very high95.6Very high68 Ų6842.1 Ų42.136%0.36420%0.201SC..Hα-helixtrans-61.9-41.4175-74.7-0.7000111.2Q217 E218 L223 C224 R225Q217-D221 PolarHBondContact NE2-OD1 3.39Å; Q217-D221 VanDerWaalsContact NE2-OD1 3.13Å; Q217-D221 PolarHBondContact O-N 3.37Å; E218-D221 PolarHBondContact O-N 2.83Å; D221-L223 VanDerWaalsContact C-N 3.33Å; D221-L223 PolarHBondContact O-N 2.87Å; D221-C224 PolarHBondContact O-N 2.93Å; D221-R225 WeakPolarHBondContact O-CB 3.34Å; D221-R225 WeakPolarHBondContact O-CG 3.3Å; D221-R225 PolarHBondContact O-N 3.34Å
222H96.9Very high95.1Very high25 Ų2543.5 Ų43.512%0.11621%0.21CC..Hα-helixtrans-60.3-41.6172.4-66.5146.5000112.1S177 V178 E218 A219 M220 R226 T227S177-H222 WeakPolarHBondContact CB-ND1 3.22Å; S177-H222 WeakPolarHBondContact OG-CB 3.47Å; S177-H222 PolarHBondContact OG-ND1 3.22Å; S177-H222 VanDerWaalsContact OG-ND1 3.15Å; V178-H222 HydrophobicContact CG1-CB 4.25Å; E218-H222 VanDerWaalsContact O-CG 3.27Å; E218-H222 PolarHBondContact O-N 3.02Å; E218-H222 PolarHBondContact O-ND1 2.95Å; E218-H222 IonicContact OE1-CE1 3.55Å; A219-H222 WeakPolarHBondContact O-CB 3.34Å; A219-H222 PolarHBondContact O-N 3.48Å; M220-H222 VanDerWaalsContact C-N 3.32Å; M220-H222 PolarHBondContact O-N 3.45Å; H222-R226 CarbonylContact O-C 3.48Å; H222-R226 WeakPolarHBondContact O-CA 3.49Å; H222-R226 PolarHBondContact O-N 3.22Å; H222-T227 PolarHBondContact O-N 3.19Å
223L95.9Very high94.7Very high0 Ų044.5 Ų44.50%022%0.217CC..Hα-helixtrans-64.5-46177.9-173.665000111.7H78 N81 L83 V178 F181 A219 M220 D221 R226H78-L223 HydrophobicContact CB-CD2 3.72Å; H78-L223 HydrophobicContact CB-CG 4.18Å; N81-L223 HydrophobicContact CB-CD1 3.78Å; N81-L223 HydrophobicContact CB-CG 4.19Å; L83-L223 HydrophobicContact CD1-CD1 4.45Å; V178-L223 HydrophobicContact CB-CD1 4.07Å; V178-L223 HydrophobicContact CG1-CD1 4.44Å; F181-L223 HydrophobicContact CE2-CB 4.27Å; F181-L223 HydrophobicContact CE2-CD2 3.85Å; F181-L223 HydrophobicContact CZ-CD2 4.42Å; A219-L223 PolarHBondContact O-N 3.19Å; M220-L223 WeakPolarHBondContact O-CB 3.43Å; M220-L223 PolarHBondContact O-N 2.92Å; M220-L223 VanDerWaalsContact O-N 3.13Å; M220-L223 HydrophobicContact SD-CD2 4.32Å; D221-L223 VanDerWaalsContact C-N 3.33Å; D221-L223 PolarHBondContact O-N 2.87Å; L223-R226 PolarHBondContact O-N 2.91Å
224C95Very high94.3Very high58 Ų5848.3 Ų48.339%0.39224%0.236SC..Hα-helixtrans-65.2-40.6179.1-68.70000112.7M220 D221 R226M220-C224 PolarHBondContact O-N 2.95Å; M220-C224 PolarHBondContact O-SG 3.29Å; D221-C224 PolarHBondContact O-N 2.93Å; C224-R226 VanDerWaalsContact C-N 3.34Å
225R95.6Very high94Very high187 Ų18748.5 Ų48.571%0.70623%0.229SC*.Hα-helixtrans-90.11.3-177.7-62.6-179.8-175.9-145.72.5113.6D221D221-R225 WeakPolarHBondContact O-CB 3.34Å; D221-R225 WeakPolarHBondContact O-CG 3.3Å; D221-R225 PolarHBondContact O-N 3.34Å
226R96.4Very high93.7Very high96 Ų9647.2 Ų47.236%0.36222%0.222SC..THydrogen-bonded Turntrans53.753.6-174.8-56.1-176.4-178.6179.72.7111.9E80 H222 L223 C224 F252 T253E80-R226 PolarHBondContact O-NH2 3.18Å; H222-R226 CarbonylContact O-C 3.48Å; H222-R226 WeakPolarHBondContact O-CA 3.49Å; H222-R226 PolarHBondContact O-N 3.22Å; L223-R226 PolarHBondContact O-N 2.91Å; C224-R226 VanDerWaalsContact C-N 3.34Å; R226-F252 HydrophobicContact CB-CB 4.36Å; R226-F252 HydrophobicContact CB-CD1 3.72Å; R226-F252 HydrophobicContact CB-CD2 4.07Å; R226-F252 HydrophobicContact CB-CE1 3.87Å; R226-F252 HydrophobicContact CB-CE2 4.2Å; R226-F252 HydrophobicContact CB-CG 3.8Å; R226-F252 HydrophobicContact CB-CZ 4.1Å; R226-F252 HydrophobicContact CG-CD2 4.45Å; R226-F252 HydrophobicContact CG-CE1 4.21Å; R226-F252 HydrophobicContact CG-CE2 4.15Å; R226-F252 HydrophobicContact CG-CZ 4.01Å; R226-F252 CarbonylContact O-C 3.52Å; R226-F252 WeakPolarHBondContact O-CA 3.4Å; R226-F252 WeakPolarHBondContact O-CB 3.36Å; R226-T253 PolarHBondContact O-N 3.08Å
227T96.8Very high93.5Very high19 Ų1952.1 Ų52.112%0.11724%0.24CC..EExtended strand (participates in β ladder)trans-100.7133.4-179.3-52.30000111.2V178 H222 T253V178-T227 WeakPolarHBondContact CG1-O 3.4Å; H222-T227 PolarHBondContact O-N 3.19Å; T227-T253 CarbonylContact C-O 3.54Å; T227-T253 VanDerWaalsContact CA-O 3.27Å; T227-T253 WeakPolarHBondContact CA-O 3.42Å
228I96.4Very high93.2Very high0 Ų047.1 Ų47.10%022%0.217CC..EExtended strand (participates in β ladder)trans-91.4113.1173-49.1-180000108.3F176 Y244 L247 L248 F252 T253 S255 M260F176-I228 HydrophobicContact CD1-CG2 3.5Å; F176-I228 HydrophobicContact CE1-CG2 3.64Å; F176-I228 HydrophobicContact CG-CG2 4.26Å; F176-I228 HydrophobicContact CZ-CG2 4.49Å; I228-Y244 HydrophobicContact CD1-CD2 3.92Å; I228-Y244 HydrophobicContact CD1-CE2 3.68Å; I228-Y244 HydrophobicContact CG2-CD2 4.02Å; I228-Y244 HydrophobicContact CG2-CE2 4.19Å; I228-L247 HydrophobicContact CD1-CB 3.69Å; I228-L247 HydrophobicContact CD1-CD1 4.35Å; I228-L247 HydrophobicContact CG1-CB 4.13Å; I228-L247 HydrophobicContact CG1-CD1 4.17Å; I228-L247 HydrophobicContact CG2-CD1 4.16Å; I228-L248 HydrophobicContact CD1-CD2 3.85Å; I228-L248 HydrophobicContact CD1-CG 4.23Å; I228-F252 HydrophobicContact CD1-CB 3.9Å; I228-F252 HydrophobicContact CG1-CB 3.57Å; I228-T253 PolarHBondContact N-O 2.98Å; I228-S255 PolarHBondContact O-N 3.38Å; I228-S255 VanDerWaalsContact O-N 3.11Å; I228-M260 HydrophobicContact CB-CE 4.08Å; I228-M260 HydrophobicContact CG2-CE 3.77Å
229A95.1Very high93Very high3 Ų345.3 Ų45.33%0.02521%0.214CC..  trans-140.5147.9175.500000110.6F176 S177F176-A229 CarbonylContact C-O 3.34Å; F176-A229 VanDerWaalsContact CA-O 3.32Å; F176-A229 WeakPolarHBondContact CA-O 3.19Å; S177-A229 PolarHBondContact N-O 3.15Å
230T92.7Very high92.9Very high20 Ų2045.3 Ų45.312%0.12321%0.214CC..  trans-145.3149.8170.7-168.10000109.1E175 P233 I236 M263E175-T230 WeakPolarHBondContact O-CB 2.96Å; E175-T230 PolarHBondContact O-OG1 3.16Å; T230-P233 HydrophobicContact CG2-CB 4.35Å; T230-I236 HydrophobicContact CG2-CD1 3.98Å; T230-M263 HydrophobicContact CG2-CE 3.45Å; T230-M263 VanDerWaalsContact CG2-CE 3.45Å; T230-M263 HydrophobicContact CG2-CG 4.49Å; T230-M263 HydrophobicContact CG2-SD 3.54Å; T230-M263 VanDerWaalsContact CG2-SD 3.54Å
231R88.1Confident92.9Very high118 Ų11844.2 Ų44.245%0.44521%0.208SC..SBendtrans-107.3-12.1176.8-77.8169.6-178.9-162.5-3.7113Y213 E218 P233Y213-R231 HydrophobicContact CD2-CG 4.33Å; Y213-R231 HydrophobicContact CE1-CG 4.49Å; Y213-R231 HydrophobicContact CE2-CB 4.05Å; Y213-R231 HydrophobicContact CE2-CG 3.55Å; Y213-R231 VanDerWaalsContact CZ-NE 3.27Å; Y213-R231 WeakPolarHBondContact O-CD 3.48Å; Y213-R231 PolarHBondContact OH-NE 2.97Å; E218-R231 IonicContact OE1-CZ 2.82Å; E218-R231 IonicContact OE1-NE 2.68Å; E218-R231 IonicContact OE1-NH2 2.92Å; E218-R231 PolarHBondContact OE1-NH2 2.99Å; E218-R231 IonicContact OE2-CZ 2.77Å; E218-R231 IonicContact OE2-NH2 3.97Å; E218-R231 PolarHBondContact OE2-NH2 3.47Å; R231-P233 VanDerWaalsContact C-CD 3.4Å; R231-P233 WeakPolarHBondContact O-CD 3.42Å
232S86.5Confident92.9Very high29 Ų2941.2 Ų41.220%0.20319%0.192CC..  trans-128.760.6-175-61.50000110.3E234 E235S232-E234 VanDerWaalsContact C-OE2 3.31Å; S232-E234 WeakPolarHBondContact CA-OE1 3.49Å; S232-E234 WeakPolarHBondContact CA-OE2 3.27Å; S232-E234 WeakPolarHBondContact CB-OE1 3.38Å; S232-E234 PolarHBondContact O-N 3.46Å; S232-E234 VanDerWaalsContact O-N 3.15Å; S232-E235 PolarHBondContact O-N 2.87Å
233P87.2Confident92.8Very high45 Ų4542.3 Ų42.329%0.29220%0.197SC..G310 helixtrans-55.7-32.5-179.624.9-34.6000112T230 R231 E235 I236 Y266T230-P233 HydrophobicContact CG2-CB 4.35Å; R231-P233 VanDerWaalsContact C-CD 3.4Å; R231-P233 WeakPolarHBondContact O-CD 3.42Å; P233-E235 PolarHBondContact O-N 3.01Å; P233-I236 WeakPolarHBondContact O-CB 3.37Å; P233-I236 PolarHBondContact O-N 2.74Å; P233-I236 VanDerWaalsContact O-N 3.16Å; P233-Y266 WeakPolarHBondContact O-CD1 3.26Å; P233-Y266 WeakPolarHBondContact O-CE1 3.41Å
234E86.2Confident92.8Very high97 Ų9742.5 Ų42.545%0.45320%0.198SC..G310 helixtrans-63.1-17.6177.172-71.2167.600114.8S232 Y266S232-E234 VanDerWaalsContact C-OE2 3.31Å; S232-E234 WeakPolarHBondContact CA-OE1 3.49Å; S232-E234 WeakPolarHBondContact CA-OE2 3.27Å; S232-E234 WeakPolarHBondContact CB-OE1 3.38Å; S232-E234 PolarHBondContact O-N 3.46Å; S232-E234 VanDerWaalsContact O-N 3.15Å; E234-Y266 WeakPolarHBondContact CA-OH 3.4Å; E234-Y266 PolarHBondContact O-OH 3.38Å
235E87.5Confident92.9Very high32 Ų3239.8 Ų39.815%0.1518%0.179CC..G310 helixtrans-95.5-10.4179.7-61.1-150.8146.100113.1R171 R172 S232 P233 R237R171-E235 WeakPolarHBondContact CG-OE1 2.88Å; R171-E235 IonicContact CZ-OE1 2.7Å; R171-E235 IonicContact NE-OE1 2.98Å; R171-E235 PolarHBondContact NE-OE1 3.34Å; R171-E235 IonicContact NH2-OE1 3.32Å; R172-E235 WeakPolarHBondContact CD-O 3.37Å; R172-E235 HydrophobicContact CG-CB 4.2Å; R172-E235 PolarHBondContact NH1-O 2.7Å; S232-E235 PolarHBondContact O-N 2.87Å; P233-E235 PolarHBondContact O-N 3.01Å; E235-R237 PolarHBondContact O-N 2.88Å
236I89.9Confident92.8Very high2 Ų231.9 Ų31.91%0.0115%0.15CC..  trans-67.5130.5174.7-63.1-179.6000109.4F176 T230 P233 Y266 M267 R270F176-I236 HydrophobicContact CE1-CD1 4.33Å; F176-I236 HydrophobicContact CZ-CD1 4.39Å; T230-I236 HydrophobicContact CG2-CD1 3.98Å; P233-I236 WeakPolarHBondContact O-CB 3.37Å; P233-I236 PolarHBondContact O-N 2.74Å; P233-I236 VanDerWaalsContact O-N 3.16Å; I236-Y266 HydrophobicContact CB-CE1 4.42Å; I236-M267 HydrophobicContact CG2-CG 4.16Å; I236-R270 WeakPolarHBondContact O-CG 3.27Å
237R92.2Very high92.8Very high110 Ų11027.5 Ų27.542%0.41513%0.134SC..  trans-93.4174.1171.8-69.7-66.2-167.2-165.9-1.6110.5R172 E235 G239 G240 R270 D274R172-R237 VanDerWaalsContact CZ-NE 3.28Å; R172-R237 VanDerWaalsContact NH1-CZ 3.31Å; E235-R237 PolarHBondContact O-N 2.88Å; R237-G239 PolarHBondContact O-N 3.34Å; R237-G240 PolarHBondContact O-N 2.98Å; R237-R270 VanDerWaalsContact NH1-CZ 3.32Å; R237-D274 WeakPolarHBondContact CA-OD2 3.48Å; R237-D274 WeakPolarHBondContact CB-OD2 3.42Å; R237-D274 WeakPolarHBondContact CD-OD2 3.22Å
238G90.4Very high92.8Very high0 Ų028.7 Ų28.70%014%0.139CC..THydrogen-bonded Turntrans-53.9-31.8-17900000113.9G240 L241 F271 D274G238-G240 PolarHBondContact O-N 3.11Å; G238-L241 PolarHBondContact O-N 3.17Å; G238-F271 WeakPolarHBondContact O-CD2 3.42Å; G238-D274 PolarHBondContact N-OD2 3.38Å
239G93.2Very high92.7Very high20 Ų2028.9 Ų28.921%0.20614%0.14CC..Hα-helixtrans-60.5-24.917400000114.7R237 L241 L242 K243R237-G239 PolarHBondContact O-N 3.34Å; G239-L241 VanDerWaalsContact C-N 3.26Å; G239-L241 PolarHBondContact O-N 3.04Å; G239-L242 WeakPolarHBondContact O-CB 3.46Å; G239-L242 PolarHBondContact O-N 3.17Å; G239-L242 VanDerWaalsContact O-N 3.07Å; G239-K243 PolarHBondContact O-N 2.9Å; G239-K243 VanDerWaalsContact O-N 3.16Å
240G95Very high92.6Very high0 Ų029.7 Ų29.70%014%0.143CC..Hα-helixtrans-65.2-27.1179.700000113.6R237 G238 L242 K243 Y244R237-G240 PolarHBondContact O-N 2.98Å; G238-G240 PolarHBondContact O-N 3.11Å; G240-L242 VanDerWaalsContact C-N 3.32Å; G240-L242 PolarHBondContact O-N 3.4Å; G240-K243 PolarHBondContact O-N 3.18Å; G240-Y244 WeakPolarHBondContact O-CB 3.31Å; G240-Y244 PolarHBondContact O-N 3.21Å
241L96.4Very high92.7Very high0 Ų031 Ų310%016%0.16CC..Hα-helixtrans-61.5-42.2171.5178.461.7000111.5G238 G239 Y244 C245 M267 F271 L307 V310 V311G238-L241 PolarHBondContact O-N 3.17Å; G239-L241 VanDerWaalsContact C-N 3.26Å; G239-L241 PolarHBondContact O-N 3.04Å; L241-Y244 WeakPolarHBondContact O-CB 3.38Å; L241-Y244 PolarHBondContact O-N 2.92Å; L241-C245 PolarHBondContact O-N 3.42Å; L241-C245 VanDerWaalsContact O-N 3.07Å; L241-C245 PolarHBondContact O-SG 3.5Å; L241-M267 HydrophobicContact CB-CB 4.07Å; L241-M267 HydrophobicContact CD1-CB 4.1Å; L241-F271 HydrophobicContact CB-CB 4.42Å; L241-F271 HydrophobicContact CB-CD2 4.5Å; L241-F271 HydrophobicContact CD2-CB 3.84Å; L241-F271 HydrophobicContact CD2-CD1 4.41Å; L241-F271 HydrophobicContact CD2-CD2 4.13Å; L241-F271 HydrophobicContact CD2-CG 3.88Å; L241-L307 HydrophobicContact CD1-CD1 4.32Å; L241-L307 HydrophobicContact CD2-CD1 3.72Å; L241-L307 HydrophobicContact CG-CD1 3.73Å; L241-V310 HydrophobicContact CD1-CG1 3.75Å; L241-V311 HydrophobicContact CD2-CG2 4.1Å
242L96.6Very high93Very high4 Ų425.5 Ų25.52%0.02114%0.139CC..Hα-helixtrans-67.8-42179.4-54.9-176.6000110.5G239 G240 C245 H246 F271 K284 L285 Y288 L307G239-L242 WeakPolarHBondContact O-CB 3.46Å; G239-L242 PolarHBondContact O-N 3.17Å; G239-L242 VanDerWaalsContact O-N 3.07Å; G240-L242 VanDerWaalsContact C-N 3.32Å; G240-L242 PolarHBondContact O-N 3.4Å; L242-C245 PolarHBondContact O-N 2.91Å; L242-H246 WeakPolarHBondContact O-CB 3.31Å; L242-H246 PolarHBondContact O-N 3.07Å; L242-F271 HydrophobicContact CD2-CE2 4.14Å; L242-F271 HydrophobicContact CG-CE2 4.41Å; L242-K284 HydrophobicContact CD1-CG 4.15Å; L242-L285 HydrophobicContact CD1-CD2 4.3Å; L242-L285 HydrophobicContact CD2-CD2 3.47Å; L242-L285 VanDerWaalsContact CD2-CD2 3.47Å; L242-Y288 HydrophobicContact CB-CD1 4.13Å; L242-Y288 HydrophobicContact CB-CD2 3.9Å; L242-Y288 HydrophobicContact CB-CE1 3.96Å; L242-Y288 HydrophobicContact CB-CE2 3.72Å; L242-Y288 HydrophobicContact CB-CG 4.1Å; L242-Y288 HydrophobicContact CD1-CD1 4.49Å; L242-Y288 HydrophobicContact CD1-CD2 3.82Å; L242-Y288 HydrophobicContact CD1-CE2 4.47Å; L242-Y288 HydrophobicContact CD1-CG 3.83Å; L242-Y288 PolarHBondContact O-OH 3.3Å; L242-L307 HydrophobicContact CD2-CD1 4.14Å; L242-L307 HydrophobicContact CD2-CD2 3.86Å
243K95.3Very high93.5Very high49 Ų4928 Ų2821%0.21315%0.153CC..Hα-helixtrans-63.3-41.2174.9-168.8176.2-167.21670112.4E175 F176 D179 G239 G240 C245 H246 L247 Y288E175-K243 HydrophobicContact CB-CD 4.26Å; E175-K243 WeakPolarHBondContact OE2-CD 3.21Å; E175-K243 IonicContact OE2-NZ 3.19Å; F176-K243 HydrophobicContact CD2-CD 3.99Å; F176-K243 HydrophobicContact CD2-CG 4.26Å; F176-K243 HydrophobicContact CE2-CB 4.18Å; F176-K243 HydrophobicContact CE2-CD 4.08Å; F176-K243 HydrophobicContact CE2-CG 4.07Å; D179-K243 IonicContact OD1-NZ 3.01Å; D179-K243 IonicContact OD2-NZ 3.85Å; D179-K243 PolarHBondContact OD2-NZ 3.18Å; G239-K243 PolarHBondContact O-N 2.9Å; G239-K243 VanDerWaalsContact O-N 3.16Å; G240-K243 PolarHBondContact O-N 3.18Å; K243-C245 PolarHBondContact O-N 3.34Å; K243-H246 WeakPolarHBondContact O-CB 3.46Å; K243-H246 PolarHBondContact O-N 3.49Å; K243-L247 WeakPolarHBondContact O-CG 3.41Å; K243-L247 PolarHBondContact O-N 3.33Å; K243-Y288 WeakPolarHBondContact CA-OH 3.49Å; K243-Y288 PolarHBondContact N-OH 3.31Å
244Y96.2Very high93.9Very high4 Ų427.7 Ų27.72%0.01615%0.152CC..Hα-helixtrans-57.1-50.2173.7174.4-107.4000111.6F176 I228 G240 L241 H246 L247 L248 M260 Q264 M267 V310F176-Y244 HydrophobicContact CZ-CD2 4.45Å; I228-Y244 HydrophobicContact CD1-CD2 3.92Å; I228-Y244 HydrophobicContact CD1-CE2 3.68Å; I228-Y244 HydrophobicContact CG2-CD2 4.02Å; I228-Y244 HydrophobicContact CG2-CE2 4.19Å; G240-Y244 WeakPolarHBondContact O-CB 3.31Å; G240-Y244 PolarHBondContact O-N 3.21Å; L241-Y244 WeakPolarHBondContact O-CB 3.38Å; L241-Y244 PolarHBondContact O-N 2.92Å; Y244-H246 VanDerWaalsContact C-N 3.3Å; Y244-H246 PolarHBondContact O-N 3.09Å; Y244-L247 WeakPolarHBondContact O-CB 3.31Å; Y244-L247 PolarHBondContact O-N 3.22Å; Y244-L247 VanDerWaalsContact O-N 3.17Å; Y244-L248 HydrophobicContact CD1-CD1 4.12Å; Y244-L248 HydrophobicContact CE1-CD1 3.45Å; Y244-L248 VanDerWaalsContact CE1-CD1 3.45Å; Y244-L248 HydrophobicContact CE1-CG 4.16Å; Y244-L248 HydrophobicContact CE2-CD1 4.4Å; Y244-L248 HydrophobicContact CE2-CD2 4.32Å; Y244-L248 HydrophobicContact CE2-CG 4.27Å; Y244-L248 PolarHBondContact O-N 2.92Å; Y244-L248 VanDerWaalsContact O-N 3.07Å; Y244-M260 HydrophobicContact CD2-CE 4.4Å; Y244-M260 HydrophobicContact CD2-SD 4Å; Y244-M260 HydrophobicContact CE2-CE 3.7Å; Y244-M260 HydrophobicContact CE2-CG 4.06Å; Y244-M260 HydrophobicContact CE2-SD 3.23Å; Y244-M260 WeakPolarHBondContact CE2-SD 3.32Å; Y244-M260 VanDerWaalsContact CZ-SD 3.59Å; Y244-M260 VanDerWaalsContact OH-CG 3.31Å; Y244-M260 WeakPolarHBondContact OH-CG 3.41Å; Y244-Q264 HydrophobicContact CE1-CG 3.85Å; Y244-Q264 PolarHBondContact OH-NE2 3.41Å; Y244-M267 HydrophobicContact CD1-CE 3.83Å; Y244-M267 HydrophobicContact CD2-CE 3.89Å; Y244-M267 HydrophobicContact CE1-CE 4.36Å; Y244-M267 HydrophobicContact CE2-CE 4.43Å; Y244-M267 HydrophobicContact CG-CE 3.57Å; Y244-M267 HydrophobicContact CG-SD 4.1Å; Y244-V310 HydrophobicContact CE1-CG1 4.48Å; Y244-V310 HydrophobicContact CE1-CG2 4.04Å
245C96.8Very high94.2Very high1 Ų126.6 Ų26.61%0.00716%0.155CC..Hα-helixtrans-63.3-37.3177.7-60.90000112.1L241 L242 K243 L247 L248 V249 T306 L307L241-C245 PolarHBondContact O-N 3.42Å; L241-C245 VanDerWaalsContact O-N 3.07Å; L241-C245 PolarHBondContact O-SG 3.5Å; L242-C245 PolarHBondContact O-N 2.91Å; K243-C245 PolarHBondContact O-N 3.34Å; C245-L247 VanDerWaalsContact C-N 3.35Å; C245-L247 PolarHBondContact O-N 3.07Å; C245-L248 PolarHBondContact O-N 3.24Å; C245-V249 PolarHBondContact O-N 2.91Å; C245-V249 VanDerWaalsContact O-N 3.17Å; C245-T306 HydrophobicContact CB-CG2 4.15Å; C245-L307 HydrophobicContact CB-CB 4.45Å
246H94.8Very high94.5Very high20 Ų2026.7 Ų26.79%0.09316%0.159CC..Hα-helixtrans-60.3-42.9173.8178.9142.8000111.8L242 K243 Y244 V249 R250 Y288 H292L242-H246 WeakPolarHBondContact O-CB 3.31Å; L242-H246 PolarHBondContact O-N 3.07Å; K243-H246 WeakPolarHBondContact O-CB 3.46Å; K243-H246 PolarHBondContact O-N 3.49Å; Y244-H246 VanDerWaalsContact C-N 3.3Å; Y244-H246 PolarHBondContact O-N 3.09Å; H246-V249 WeakPolarHBondContact O-CG2 3.34Å; H246-R250 PolarHBondContact CD2-NH1 2.87Å; H246-R250 PolarHBondContact CE1-NH1 2.78Å; H246-R250 VanDerWaalsContact CE1-NH1 3.3Å; H246-R250 PolarHBondContact NE2-NE 3.46Å; H246-R250 PolarHBondContact NE2-NH1 3.09Å; H246-R250 PolarHBondContact O-N 3.34Å; H246-Y288 HydrophobicContact CB-CE1 4.25Å; H246-Y288 VanDerWaalsContact CB-OH 3.31Å; H246-Y288 WeakPolarHBondContact CB-OH 3.38Å; H246-Y288 PolarHBondContact ND1-OH 3.38Å; H246-H292 AromaticContact CE1-ND1 3.97Å
247L95.6Very high94.4Very high4 Ų434.2 Ų34.22%0.02119%0.194CC..Hα-helixtrans-63.1-45.1177-70176.1000110.9L83 F176 V178 I228 K243 Y244 C245 V249 R250 G251 F252L83-L247 HydrophobicContact CD1-CD2 4.46Å; L83-L247 HydrophobicContact CD2-CD2 3.64Å; F176-L247 HydrophobicContact CB-CD1 4.44Å; F176-L247 HydrophobicContact CD2-CD1 3.74Å; F176-L247 HydrophobicContact CE2-CD1 4.14Å; F176-L247 HydrophobicContact CG-CD1 4.01Å; V178-L247 HydrophobicContact CG2-CD1 4.26Å; V178-L247 HydrophobicContact CG2-CD2 4.12Å; I228-L247 HydrophobicContact CD1-CB 3.69Å; I228-L247 HydrophobicContact CD1-CD1 4.35Å; I228-L247 HydrophobicContact CG1-CB 4.13Å; I228-L247 HydrophobicContact CG1-CD1 4.17Å; I228-L247 HydrophobicContact CG2-CD1 4.16Å; K243-L247 WeakPolarHBondContact O-CG 3.41Å; K243-L247 PolarHBondContact O-N 3.33Å; Y244-L247 WeakPolarHBondContact O-CB 3.31Å; Y244-L247 PolarHBondContact O-N 3.22Å; Y244-L247 VanDerWaalsContact O-N 3.17Å; C245-L247 VanDerWaalsContact C-N 3.35Å; C245-L247 PolarHBondContact O-N 3.07Å; L247-V249 PolarHBondContact O-N 3.17Å; L247-R250 CarbonylContact O-C 3.54Å; L247-R250 WeakPolarHBondContact O-CA 2.91Å; L247-R250 PolarHBondContact O-N 3.39Å; L247-G251 PolarHBondContact O-N 2.84Å; L247-F252 HydrophobicContact CB-CB 3.99Å; L247-F252 HydrophobicContact CB-CG 4.23Å; L247-F252 HydrophobicContact CD2-CD1 4.29Å; L247-F252 HydrophobicContact CD2-CD2 4.24Å; L247-F252 HydrophobicContact CD2-CE1 4.49Å; L247-F252 HydrophobicContact CD2-CE2 4.44Å; L247-F252 HydrophobicContact CD2-CG 4.19Å; L247-F252 WeakPolarHBondContact O-CB 3.15Å; L247-F252 WeakPolarHBondContact O-CD2 3.47Å; L247-F252 PolarHBondContact O-N 3.43Å; L247-F252 VanDerWaalsContact O-N 3.08Å
248L95.9Very high94.2Very high44 Ų4432.6 Ų32.623%0.2320%0.204CC..Hα-helixtrans-56.9-48.4178-70.4178.9000112.7I228 Y244 C245 R250 G251 T306I228-L248 HydrophobicContact CD1-CD2 3.85Å; I228-L248 HydrophobicContact CD1-CG 4.23Å; Y244-L248 HydrophobicContact CD1-CD1 4.12Å; Y244-L248 HydrophobicContact CE1-CD1 3.45Å; Y244-L248 VanDerWaalsContact CE1-CD1 3.45Å; Y244-L248 HydrophobicContact CE1-CG 4.16Å; Y244-L248 HydrophobicContact CE2-CD1 4.4Å; Y244-L248 HydrophobicContact CE2-CD2 4.32Å; Y244-L248 HydrophobicContact CE2-CG 4.27Å; Y244-L248 PolarHBondContact O-N 2.92Å; Y244-L248 VanDerWaalsContact O-N 3.07Å; C245-L248 PolarHBondContact O-N 3.24Å; L248-R250 PolarHBondContact O-N 3.28Å; L248-R250 VanDerWaalsContact O-N 3.11Å; L248-G251 PolarHBondContact O-N 3.43Å; L248-T306 HydrophobicContact CB-CG2 3.98Å; L248-T306 HydrophobicContact CD1-CG2 3.54Å; L248-T306 HydrophobicContact CG-CG2 4.44Å
249V95Very high94Very high4 Ų437.4 Ų37.42%0.02423%0.23CC..THydrogen-bonded Turntrans-69.7-8.1179-58.80000114.2C245 H246 L247 F293 K299 E302 C303 T306C245-V249 PolarHBondContact O-N 2.91Å; C245-V249 VanDerWaalsContact O-N 3.17Å; H246-V249 WeakPolarHBondContact O-CG2 3.34Å; L247-V249 PolarHBondContact O-N 3.17Å; V249-F293 HydrophobicContact CG2-CE1 4.17Å; V249-F293 HydrophobicContact CG2-CZ 4.24Å; V249-K299 PolarHBondContact O-NZ 3.38Å; V249-E302 HydrophobicContact CB-CG 4.43Å; V249-E302 HydrophobicContact CG1-CB 4.28Å; V249-E302 HydrophobicContact CG1-CG 3.88Å; V249-C303 HydrophobicContact CG1-CB 4.18Å; V249-C303 HydrophobicContact CG2-CB 4.28Å; V249-T306 WeakPolarHBondContact CG1-OG1 3.48Å
250R92.8Very high93.8Very high20 Ų2036.7 Ų36.78%0.07522%0.221CC..THydrogen-bonded Turntrans-98.810.6170.5-71.6-177.2166.570.7-9.1112.6G82 H246 L247 L248 F252 H292 M296G82-R250 WeakPolarHBondContact O-CD 3.3Å; H246-R250 PolarHBondContact CD2-NH1 2.87Å; H246-R250 PolarHBondContact CE1-NH1 2.78Å; H246-R250 VanDerWaalsContact CE1-NH1 3.3Å; H246-R250 PolarHBondContact NE2-NE 3.46Å; H246-R250 PolarHBondContact NE2-NH1 3.09Å; H246-R250 PolarHBondContact O-N 3.34Å; L247-R250 CarbonylContact O-C 3.54Å; L247-R250 WeakPolarHBondContact O-CA 2.91Å; L247-R250 PolarHBondContact O-N 3.39Å; L248-R250 PolarHBondContact O-N 3.28Å; L248-R250 VanDerWaalsContact O-N 3.11Å; R250-F252 HydrophobicContact CB-CD2 4.1Å; R250-F252 HydrophobicContact CB-CE2 4.28Å; R250-H292 PolarHBondContact NH2-O 3Å; R250-M296 PolarHBondContact NH2-SD 3.38Å
251G94.3Very high93.6Very high47 Ų4742.5 Ų42.549%0.48525%0.246SC..THydrogen-bonded Turntrans79.919.2175.100000113.5L247 L248L247-G251 PolarHBondContact O-N 2.84Å; L248-G251 PolarHBondContact O-N 3.43Å
252F96.3Very high93.2Very high3 Ų347.9 Ų47.91%0.01327%0.272CS..  trans-77.7143.9170.4-72.1-112.6000110.2N81 L83 V178 R226 I228 L247 R250N81-F252 WeakPolarHBondContact O-CZ 3.32Å; L83-F252 HydrophobicContact CD1-CE1 4.49Å; L83-F252 HydrophobicContact CD1-CE2 4.49Å; L83-F252 HydrophobicContact CD1-CZ 3.88Å; L83-F252 HydrophobicContact CD2-CD2 4.27Å; L83-F252 HydrophobicContact CD2-CE2 3.45Å; L83-F252 VanDerWaalsContact CD2-CE2 3.45Å; L83-F252 HydrophobicContact CD2-CZ 3.69Å; L83-F252 HydrophobicContact CG-CE2 3.86Å; L83-F252 HydrophobicContact CG-CZ 3.65Å; V178-F252 HydrophobicContact CB-CE1 4.28Å; V178-F252 HydrophobicContact CG1-CD1 4.27Å; V178-F252 HydrophobicContact CG1-CE1 3.84Å; V178-F252 HydrophobicContact CG2-CE1 4.4Å; R226-F252 HydrophobicContact CB-CB 4.36Å; R226-F252 HydrophobicContact CB-CD1 3.72Å; R226-F252 HydrophobicContact CB-CD2 4.07Å; R226-F252 HydrophobicContact CB-CE1 3.87Å; R226-F252 HydrophobicContact CB-CE2 4.2Å; R226-F252 HydrophobicContact CB-CG 3.8Å; R226-F252 HydrophobicContact CB-CZ 4.1Å; R226-F252 HydrophobicContact CG-CD2 4.45Å; R226-F252 HydrophobicContact CG-CE1 4.21Å; R226-F252 HydrophobicContact CG-CE2 4.15Å; R226-F252 HydrophobicContact CG-CZ 4.01Å; R226-F252 CarbonylContact O-C 3.52Å; R226-F252 WeakPolarHBondContact O-CA 3.4Å; R226-F252 WeakPolarHBondContact O-CB 3.36Å; I228-F252 HydrophobicContact CD1-CB 3.9Å; I228-F252 HydrophobicContact CG1-CB 3.57Å; L247-F252 HydrophobicContact CB-CB 3.99Å; L247-F252 HydrophobicContact CB-CG 4.23Å; L247-F252 HydrophobicContact CD2-CD1 4.29Å; L247-F252 HydrophobicContact CD2-CD2 4.24Å; L247-F252 HydrophobicContact CD2-CE1 4.49Å; L247-F252 HydrophobicContact CD2-CE2 4.44Å; L247-F252 HydrophobicContact CD2-CG 4.19Å; L247-F252 WeakPolarHBondContact O-CB 3.15Å; L247-F252 WeakPolarHBondContact O-CD2 3.47Å; L247-F252 PolarHBondContact O-N 3.43Å; L247-F252 VanDerWaalsContact O-N 3.08Å; R250-F252 HydrophobicContact CB-CD2 4.1Å; R250-F252 HydrophobicContact CB-CE2 4.28Å
253T96.2Very high93Very high81 Ų8148.7 Ų48.750%0.49728%0.275SS..EExtended strand (participates in β ladder)trans-120.7143.4-178.155.90000111R226 T227 I228R226-T253 PolarHBondContact O-N 3.08Å; T227-T253 CarbonylContact C-O 3.54Å; T227-T253 VanDerWaalsContact CA-O 3.27Å; T227-T253 WeakPolarHBondContact CA-O 3.42Å; I228-T253 PolarHBondContact N-O 2.98Å
254P95.5Very high92.9Very high40 Ų4047.5 Ų47.526%0.2627%0.27SS..EExtended strand (participates in β ladder)trans-59.5143.7175.1-24.135.6000112.8S256 M260P254-S256 PolarHBondContact O-N 3.08Å; P254-M260 HydrophobicContact CB-CB 3.67Å; P254-M260 HydrophobicContact CB-CE 3.67Å; P254-M260 HydrophobicContact CB-CG 3.74Å; P254-M260 HydrophobicContact CG-CB 4.04Å; P254-M260 HydrophobicContact CG-CE 4.06Å; P254-M260 HydrophobicContact CG-CG 3.61Å
255S93.4Very high92.7Very high73 Ų7352.9 Ų52.951%0.5129%0.291SS..SBendtrans-64.5-29.817357.50000113.3I228I228-S255 PolarHBondContact O-N 3.38Å; I228-S255 VanDerWaalsContact O-N 3.11Å
256S91.8Very high92.5Very high34 Ų3456.1 Ų56.124%0.23830%0.303CS..  trans-148.7123.9-178.7165.10000109.5P254 A258 D259 M260P254-S256 PolarHBondContact O-N 3.08Å; S256-A258 VanDerWaalsContact C-N 3.33Å; S256-A258 PolarHBondContact O-N 3.14Å; S256-D259 WeakPolarHBondContact CB-OD2 3.23Å; S256-D259 VanDerWaalsContact OG-CG 3.29Å; S256-D259 PolarHBondContact OG-N 3.48Å; S256-D259 PolarHBondContact OG-OD2 2.81Å; S256-M260 WeakPolarHBondContact O-CB 3.46Å; S256-M260 PolarHBondContact O-N 3.42Å
257E88.5Confident92.5Very high161 Ų16155.1 Ų55.175%0.75230%0.299SS*.Hα-helixtrans-63.8-39.1178.8-70.6-168.7175.700112.3M260 K261E257-M260 PolarHBondContact O-N 3.37Å; E257-K261 PolarHBondContact O-N 3.07Å; E257-K261 VanDerWaalsContact O-N 3.08Å
258A87.5Confident92.5Very high75 Ų7555 Ų5562%0.6230%0.298SS*.Hα-helixtrans-65.5-48.8-178.800000111.2S256 M260 K261 Q262S256-A258 VanDerWaalsContact C-N 3.33Å; S256-A258 PolarHBondContact O-N 3.14Å; A258-M260 VanDerWaalsContact C-N 3.3Å; A258-M260 PolarHBondContact O-N 3.16Å; A258-K261 PolarHBondContact O-N 3.1Å; A258-Q262 PolarHBondContact O-N 3.39Å
259D87.1Confident92.4Very high102 Ų10254.4 Ų54.455%0.54530%0.298SS..Hα-helixtrans-67.1-36.2179.4-60-42.3000110.9S256 K261 Q262 M263S256-D259 WeakPolarHBondContact CB-OD2 3.23Å; S256-D259 VanDerWaalsContact OG-CG 3.29Å; S256-D259 PolarHBondContact OG-N 3.48Å; S256-D259 PolarHBondContact OG-OD2 2.81Å; D259-K261 PolarHBondContact O-N 3.48Å; D259-Q262 PolarHBondContact O-N 3.36Å; D259-M263 PolarHBondContact O-N 2.82Å
260M88.9Confident92.4Very high4 Ų456.9 Ų56.92%0.0231%0.307CS..Hα-helixtrans-66.5-37.4179-170.955.266.300112.8I228 Y244 P254 S256 E257 A258 Q262 M263 Q264 M267I228-M260 HydrophobicContact CB-CE 4.08Å; I228-M260 HydrophobicContact CG2-CE 3.77Å; Y244-M260 HydrophobicContact CD2-CE 4.4Å; Y244-M260 HydrophobicContact CD2-SD 4Å; Y244-M260 HydrophobicContact CE2-CE 3.7Å; Y244-M260 HydrophobicContact CE2-CG 4.06Å; Y244-M260 HydrophobicContact CE2-SD 3.23Å; Y244-M260 WeakPolarHBondContact CE2-SD 3.32Å; Y244-M260 VanDerWaalsContact CZ-SD 3.59Å; Y244-M260 VanDerWaalsContact OH-CG 3.31Å; Y244-M260 WeakPolarHBondContact OH-CG 3.41Å; P254-M260 HydrophobicContact CB-CB 3.67Å; P254-M260 HydrophobicContact CB-CE 3.67Å; P254-M260 HydrophobicContact CB-CG 3.74Å; P254-M260 HydrophobicContact CG-CB 4.04Å; P254-M260 HydrophobicContact CG-CE 4.06Å; P254-M260 HydrophobicContact CG-CG 3.61Å; S256-M260 WeakPolarHBondContact O-CB 3.46Å; S256-M260 PolarHBondContact O-N 3.42Å; E257-M260 PolarHBondContact O-N 3.37Å; A258-M260 VanDerWaalsContact C-N 3.3Å; A258-M260 PolarHBondContact O-N 3.16Å; M260-Q262 VanDerWaalsContact C-N 3.26Å; M260-Q262 PolarHBondContact O-N 3.32Å; M260-M263 HydrophobicContact CE-CE 4.09Å; M260-M263 HydrophobicContact CE-SD 3.88Å; M260-M263 WeakPolarHBondContact O-CB 3.49Å; M260-M263 PolarHBondContact O-N 3.31Å; M260-M263 VanDerWaalsContact O-N 3.14Å; M260-M263 HydrophobicContact SD-CB 4.01Å; M260-M263 HydrophobicContact SD-CE 4.44Å; M260-M263 HydrophobicContact SD-CG 4.41Å; M260-M263 HydrophobicContact SD-SD 3.87Å; M260-Q264 HydrophobicContact CG-CG 4.32Å; M260-Q264 WeakPolarHBondContact O-CG 3.34Å; M260-Q264 PolarHBondContact O-N 3.47Å; M260-Q264 HydrophobicContact SD-CG 4.42Å; M260-M267 HydrophobicContact SD-CE 4.32Å
261K90.3Very high92.5Very high123 Ų12356 Ų5654%0.53530%0.303SS..Hα-helixtrans-59.6-39.8173.4-78.1-172.8177.9-178.30111.7E257 A258 D259 R265E257-K261 PolarHBondContact O-N 3.07Å; E257-K261 VanDerWaalsContact O-N 3.08Å; A258-K261 PolarHBondContact O-N 3.1Å; D259-K261 PolarHBondContact O-N 3.48Å; K261-R265 WeakPolarHBondContact O-CG 3.45Å; K261-R265 PolarHBondContact O-N 2.92Å
262Q89.6Confident92.5Very high113 Ų11354.3 Ų54.353%0.52828%0.283SS..Hα-helixtrans-67.5-40175.5-17456.23200111.5A258 D259 M260 R265 Y266A258-Q262 PolarHBondContact O-N 3.39Å; D259-Q262 PolarHBondContact O-N 3.36Å; M260-Q262 VanDerWaalsContact C-N 3.26Å; M260-Q262 PolarHBondContact O-N 3.32Å; Q262-R265 PolarHBondContact O-N 3.19Å; Q262-Y266 PolarHBondContact O-N 2.69Å; Q262-Y266 VanDerWaalsContact O-N 3.17Å
263M90.4Very high92.4Very high21 Ų2159.2 Ų59.210%0.10331%0.308CS..Hα-helixtrans-64.6-41.2177.4-160.7-177.5-56.500112.5F176 T230 D259 M260 R265 Y266 M267F176-M263 HydrophobicContact CE1-SD 4.13Å; T230-M263 HydrophobicContact CG2-CE 3.45Å; T230-M263 VanDerWaalsContact CG2-CE 3.45Å; T230-M263 HydrophobicContact CG2-CG 4.49Å; T230-M263 HydrophobicContact CG2-SD 3.54Å; T230-M263 VanDerWaalsContact CG2-SD 3.54Å; D259-M263 PolarHBondContact O-N 2.82Å; M260-M263 HydrophobicContact CE-CE 4.09Å; M260-M263 HydrophobicContact CE-SD 3.88Å; M260-M263 WeakPolarHBondContact O-CB 3.49Å; M260-M263 PolarHBondContact O-N 3.31Å; M260-M263 VanDerWaalsContact O-N 3.14Å; M260-M263 HydrophobicContact SD-CB 4.01Å; M260-M263 HydrophobicContact SD-CE 4.44Å; M260-M263 HydrophobicContact SD-CG 4.41Å; M260-M263 HydrophobicContact SD-SD 3.87Å; M263-R265 VanDerWaalsContact C-N 3.34Å; M263-R265 PolarHBondContact O-N 2.88Å; M263-Y266 WeakPolarHBondContact O-CB 3.21Å; M263-Y266 PolarHBondContact O-N 3.47Å; M263-Y266 VanDerWaalsContact O-N 3.17Å; M263-M267 HydrophobicContact CB-CE 4.28Å; M263-M267 HydrophobicContact CG-CE 3.85Å; M263-M267 HydrophobicContact CG-SD 4.42Å; M263-M267 WeakPolarHBondContact O-CB 3.47Å; M263-M267 WeakPolarHBondContact O-CG 3.43Å; M263-M267 PolarHBondContact O-N 3.32Å; M263-M267 HydrophobicContact SD-CE 4.31Å
264Q93.4Very high92.3Very high23 Ų2357.2 Ų57.211%0.10729%0.294CS..Hα-helixtrans-60.4-43.6176.4-72.4176.216.400111.4Y244 M260 Y266 M267 C268 V310 S314Y244-Q264 HydrophobicContact CE1-CG 3.85Å; Y244-Q264 PolarHBondContact OH-NE2 3.41Å; M260-Q264 HydrophobicContact CG-CG 4.32Å; M260-Q264 WeakPolarHBondContact O-CG 3.34Å; M260-Q264 PolarHBondContact O-N 3.47Å; M260-Q264 HydrophobicContact SD-CG 4.42Å; Q264-Y266 VanDerWaalsContact C-N 3.29Å; Q264-Y266 PolarHBondContact O-N 3.45Å; Q264-M267 HydrophobicContact CG-CE 4.22Å; Q264-M267 PolarHBondContact O-N 3.17Å; Q264-C268 WeakPolarHBondContact O-CB 3.44Å; Q264-C268 PolarHBondContact O-N 3.17Å; Q264-C268 PolarHBondContact O-SG 3.04Å; Q264-V310 HydrophobicContact CB-CG1 4.14Å; Q264-V310 HydrophobicContact CG-CG1 3.98Å; Q264-S314 VanDerWaalsContact CB-OG 3.3Å; Q264-S314 WeakPolarHBondContact CB-OG 3.46Å; Q264-S314 PolarHBondContact OE1-OG 3.2Å
265R92.6Very high92.3Very high117 Ų11756.5 Ų56.544%0.44229%0.287SS..Hα-helixtrans-59-42.1174.8-67.2170.2-175.8168.8-1.2112K261 Q262 M263 S269 S314K261-R265 WeakPolarHBondContact O-CG 3.45Å; K261-R265 PolarHBondContact O-N 2.92Å; Q262-R265 PolarHBondContact O-N 3.19Å; M263-R265 VanDerWaalsContact C-N 3.34Å; M263-R265 PolarHBondContact O-N 2.88Å; R265-S269 WeakPolarHBondContact O-CB 3.49Å; R265-S269 PolarHBondContact O-N 2.84Å; R265-S269 PolarHBondContact O-OG 3.13Å; R265-S314 WeakPolarHBondContact CA-O 3.31Å; R265-S314 WeakPolarHBondContact CG-O 3.42Å
266Y93.1Very high92.3Very high69 Ų6957.6 Ų57.627%0.27129%0.292SS..Hα-helixtrans-63.8-50.4176.6-176.5-86.1000111.2P233 E234 I236 Q262 M263 Q264 C268 S269 R270P233-Y266 WeakPolarHBondContact O-CD1 3.26Å; P233-Y266 WeakPolarHBondContact O-CE1 3.41Å; E234-Y266 WeakPolarHBondContact CA-OH 3.4Å; E234-Y266 PolarHBondContact O-OH 3.38Å; I236-Y266 HydrophobicContact CB-CE1 4.42Å; Q262-Y266 PolarHBondContact O-N 2.69Å; Q262-Y266 VanDerWaalsContact O-N 3.17Å; M263-Y266 WeakPolarHBondContact O-CB 3.21Å; M263-Y266 PolarHBondContact O-N 3.47Å; M263-Y266 VanDerWaalsContact O-N 3.17Å; Q264-Y266 VanDerWaalsContact C-N 3.29Å; Q264-Y266 PolarHBondContact O-N 3.45Å; Y266-C268 PolarHBondContact O-N 3.22Å; Y266-S269 PolarHBondContact O-N 3.32Å; Y266-R270 HydrophobicContact CE1-CB 4.24Å; Y266-R270 WeakPolarHBondContact O-CB 3.38Å; Y266-R270 PolarHBondContact O-N 2.99Å
267M95.1Very high92.5Very high0 Ų060 Ų600%030%0.303CS..Hα-helixtrans-60.4-42.4179.4-71.8-173.3-71.700112.3F176 I236 L241 Y244 M260 M263 Q264 R270 F271F176-M267 HydrophobicContact CZ-SD 4.11Å; I236-M267 HydrophobicContact CG2-CG 4.16Å; L241-M267 HydrophobicContact CB-CB 4.07Å; L241-M267 HydrophobicContact CD1-CB 4.1Å; Y244-M267 HydrophobicContact CD1-CE 3.83Å; Y244-M267 HydrophobicContact CD2-CE 3.89Å; Y244-M267 HydrophobicContact CE1-CE 4.36Å; Y244-M267 HydrophobicContact CE2-CE 4.43Å; Y244-M267 HydrophobicContact CG-CE 3.57Å; Y244-M267 HydrophobicContact CG-SD 4.1Å; M260-M267 HydrophobicContact SD-CE 4.32Å; M263-M267 HydrophobicContact CB-CE 4.28Å; M263-M267 HydrophobicContact CG-CE 3.85Å; M263-M267 HydrophobicContact CG-SD 4.42Å; M263-M267 WeakPolarHBondContact O-CB 3.47Å; M263-M267 WeakPolarHBondContact O-CG 3.43Å; M263-M267 PolarHBondContact O-N 3.32Å; M263-M267 HydrophobicContact SD-CE 4.31Å; Q264-M267 HydrophobicContact CG-CE 4.22Å; Q264-M267 PolarHBondContact O-N 3.17Å; M267-R270 PolarHBondContact O-N 3.28Å; M267-F271 WeakPolarHBondContact O-CB 3.48Å; M267-F271 PolarHBondContact O-N 2.85Å
268C94.9Very high92.8Very high0 Ų055.2 Ų55.20%028%0.281CS..Hα-helixtrans-61.6-49.3173.5-71.30000111.3Q264 Y266 R270 F271 F272Q264-C268 WeakPolarHBondContact O-CB 3.44Å; Q264-C268 PolarHBondContact O-N 3.17Å; Q264-C268 PolarHBondContact O-SG 3.04Å; Y266-C268 PolarHBondContact O-N 3.22Å; C268-R270 VanDerWaalsContact C-N 3.33Å; C268-R270 PolarHBondContact O-N 3.06Å; C268-F271 WeakPolarHBondContact O-CB 3.48Å; C268-F271 PolarHBondContact O-N 3Å; C268-F272 HydrophobicContact CB-CE2 4.47Å; C268-F272 WeakPolarHBondContact O-CD2 3.4Å; C268-F272 PolarHBondContact O-N 3.24Å; C268-F272 VanDerWaalsContact O-N 3.15Å
269S93.4Very high93.3Very high33 Ų3352.8 Ų52.823%0.23126%0.264CS..Hα-helixtrans-59.8-44.2178.6-56.20000111.8R265 Y266 F271 F272 I273R265-S269 WeakPolarHBondContact O-CB 3.49Å; R265-S269 PolarHBondContact O-N 2.84Å; R265-S269 PolarHBondContact O-OG 3.13Å; Y266-S269 PolarHBondContact O-N 3.32Å; S269-F271 VanDerWaalsContact C-N 3.34Å; S269-F271 PolarHBondContact O-N 2.98Å; S269-F272 PolarHBondContact O-N 2.74Å; S269-I273 WeakPolarHBondContact O-CD1 3.48Å; S269-I273 VanDerWaalsContact O-CG1 3.25Å; S269-I273 WeakPolarHBondContact O-CG1 3.47Å; S269-I273 PolarHBondContact O-N 2.99Å
270R94.7Very high93.7Very high55 Ų5551.1 Ų51.121%0.20825%0.253CS..Hα-helixtrans-65.8-35.6177.4-163.976.1-143.2170.211.1112.4I236 R237 Y266 M267 C268 I273 D274I236-R270 WeakPolarHBondContact O-CG 3.27Å; R237-R270 VanDerWaalsContact NH1-CZ 3.32Å; Y266-R270 HydrophobicContact CE1-CB 4.24Å; Y266-R270 WeakPolarHBondContact O-CB 3.38Å; Y266-R270 PolarHBondContact O-N 2.99Å; M267-R270 PolarHBondContact O-N 3.28Å; C268-R270 VanDerWaalsContact C-N 3.33Å; C268-R270 PolarHBondContact O-N 3.06Å; R270-I273 PolarHBondContact O-N 3.17Å; R270-D274 IonicContact CZ-OD1 3.25Å; R270-D274 VanDerWaalsContact CZ-OD1 3.25Å; R270-D274 IonicContact NE-OD1 3.02Å; R270-D274 PolarHBondContact NE-OD1 2.83Å; R270-D274 IonicContact NE-OD2 2.94Å; R270-D274 PolarHBondContact NE-OD2 3.37Å; R270-D274 IonicContact NH2-OD1 2.72Å; R270-D274 PolarHBondContact NH2-OD1 2.79Å; R270-D274 WeakPolarHBondContact O-CB 3.27Å; R270-D274 PolarHBondContact O-N 3.05Å
271F95.7Very high94.1Very high2 Ų251.1 Ų51.11%0.00925%0.253CS..Hα-helixtrans-59.9-46.9174.8179.9-92.8000111.6G238 L241 L242 M267 C268 S269 D274 F275 Q281 T326G238-F271 WeakPolarHBondContact O-CD2 3.42Å; L241-F271 HydrophobicContact CB-CB 4.42Å; L241-F271 HydrophobicContact CB-CD2 4.5Å; L241-F271 HydrophobicContact CD2-CB 3.84Å; L241-F271 HydrophobicContact CD2-CD1 4.41Å; L241-F271 HydrophobicContact CD2-CD2 4.13Å; L241-F271 HydrophobicContact CD2-CG 3.88Å; L242-F271 HydrophobicContact CD2-CE2 4.14Å; L242-F271 HydrophobicContact CG-CE2 4.41Å; M267-F271 WeakPolarHBondContact O-CB 3.48Å; M267-F271 PolarHBondContact O-N 2.85Å; C268-F271 WeakPolarHBondContact O-CB 3.48Å; C268-F271 PolarHBondContact O-N 3Å; S269-F271 VanDerWaalsContact C-N 3.34Å; S269-F271 PolarHBondContact O-N 2.98Å; F271-D274 PolarHBondContact O-N 3.49Å; F271-F275 AromaticContact CD2-CD2 3.68Å; F271-F275 HydrophobicContact CD2-CD2 3.68Å; F271-F275 HydrophobicContact CD2-CE2 4.04Å; F271-F275 AromaticContact CE2-CD2 3.72Å; F271-F275 HydrophobicContact CE2-CD2 3.72Å; F271-F275 HydrophobicContact CE2-CE2 4.17Å; F271-F275 HydrophobicContact CG-CD2 4.25Å; F271-F275 HydrophobicContact CZ-CD2 4.33Å; F271-F275 WeakPolarHBondContact O-CB 3.47Å; F271-F275 WeakPolarHBondContact O-CD2 3.36Å; F271-F275 PolarHBondContact O-N 3.19Å; F271-Q281 HydrophobicContact CE1-CG 3.89Å; F271-Q281 HydrophobicContact CZ-CB 4.36Å; F271-Q281 HydrophobicContact CZ-CG 4.02Å; F271-T326 HydrophobicContact CE1-CG2 4.23Å
272F94.4Very high94.4Very high12 Ų1248.4 Ų48.45%0.05324%0.242CC..Hα-helixtrans-69.4-34.4177.3-64.5-63.1000113.4C268 S269 F275 P276 V311 T315 M319 E322 T326C268-F272 HydrophobicContact CB-CE2 4.47Å; C268-F272 WeakPolarHBondContact O-CD2 3.4Å; C268-F272 PolarHBondContact O-N 3.24Å; C268-F272 VanDerWaalsContact O-N 3.15Å; S269-F272 PolarHBondContact O-N 2.74Å; F272-F275 CarbonylContact O-C 3.44Å; F272-P276 VanDerWaalsContact O-CA 3.31Å; F272-P276 WeakPolarHBondContact O-CA 3.34Å; F272-V311 HydrophobicContact CZ-CG1 4.21Å; F272-T315 HydrophobicContact CD2-CG2 4.45Å; F272-T315 HydrophobicContact CE2-CG2 3.63Å; F272-T315 HydrophobicContact CZ-CG2 4.24Å; F272-M319 HydrophobicContact CB-SD 3.89Å; F272-M319 HydrophobicContact CD2-CE 3.8Å; F272-M319 HydrophobicContact CD2-SD 3.68Å; F272-M319 HydrophobicContact CE2-CE 4.39Å; F272-M319 HydrophobicContact CG-SD 4.02Å; F272-E322 HydrophobicContact CD1-CB 4.14Å; F272-E322 HydrophobicContact CE1-CB 4.14Å; F272-T326 HydrophobicContact CE1-CG2 4.34Å; F272-T326 WeakPolarHBondContact CE1-OG1 3.36Å
273I93.6Very high94.7Very high106 Ų10650.5 Ų50.554%0.54425%0.245SC..Hα-helixtrans-66.9-43.7176.1-69.7164.4000111.1S269 R270S269-I273 WeakPolarHBondContact O-CD1 3.48Å; S269-I273 VanDerWaalsContact O-CG1 3.25Å; S269-I273 WeakPolarHBondContact O-CG1 3.47Å; S269-I273 PolarHBondContact O-N 2.99Å; R270-I273 PolarHBondContact O-N 3.17Å
274D94.8Very high95Very high39 Ų3953.4 Ų53.421%0.20926%0.257CS..Hα-helixtrans-81.1-25.2-176.5-67.7-11.1000112R237 G238 R270 F271R237-D274 WeakPolarHBondContact CA-OD2 3.48Å; R237-D274 WeakPolarHBondContact CB-OD2 3.42Å; R237-D274 WeakPolarHBondContact CD-OD2 3.22Å; G238-D274 PolarHBondContact N-OD2 3.38Å; R270-D274 IonicContact CZ-OD1 3.25Å; R270-D274 VanDerWaalsContact CZ-OD1 3.25Å; R270-D274 IonicContact NE-OD1 3.02Å; R270-D274 PolarHBondContact NE-OD1 2.83Å; R270-D274 IonicContact NE-OD2 2.94Å; R270-D274 PolarHBondContact NE-OD2 3.37Å; R270-D274 IonicContact NH2-OD1 2.72Å; R270-D274 PolarHBondContact NH2-OD1 2.79Å; R270-D274 WeakPolarHBondContact O-CB 3.27Å; R270-D274 PolarHBondContact O-N 3.05Å; F271-D274 PolarHBondContact O-N 3.49Å
275F95.1Very high95.1Very high25 Ų2552.5 Ų52.511%0.1125%0.253CS..  trans-131.772.4178.5-47.1-63.3000111.3F271 F272 D277 E280 Q281 K284F271-F275 AromaticContact CD2-CD2 3.68Å; F271-F275 HydrophobicContact CD2-CD2 3.68Å; F271-F275 HydrophobicContact CD2-CE2 4.04Å; F271-F275 AromaticContact CE2-CD2 3.72Å; F271-F275 HydrophobicContact CE2-CD2 3.72Å; F271-F275 HydrophobicContact CE2-CE2 4.17Å; F271-F275 HydrophobicContact CG-CD2 4.25Å; F271-F275 HydrophobicContact CZ-CD2 4.33Å; F271-F275 WeakPolarHBondContact O-CB 3.47Å; F271-F275 WeakPolarHBondContact O-CD2 3.36Å; F271-F275 PolarHBondContact O-N 3.19Å; F272-F275 CarbonylContact O-C 3.44Å; F275-D277 PolarHBondContact O-N 2.86Å; F275-E280 HydrophobicContact CD1-CG 4.02Å; F275-Q281 HydrophobicContact CB-CG 3.85Å; F275-Q281 WeakPolarHBondContact O-CG 3.44Å; F275-Q281 PolarHBondContact O-NE2 3.46Å; F275-K284 HydrophobicContact CE1-CD 4.26Å; F275-K284 HydrophobicContact CE1-CG 4.25Å; F275-K284 HydrophobicContact CE2-CG 4.23Å; F275-K284 HydrophobicContact CZ-CD 4.12Å; F275-K284 HydrophobicContact CZ-CG 4.04Å
276P93.7Very high95.2Very high95 Ų9550 Ų5062%0.61725%0.247SC*.  trans-72.1-28.3-174.928.5-35000113.1F272F272-P276 VanDerWaalsContact O-CA 3.31Å; F272-P276 WeakPolarHBondContact O-CA 3.34Å
277D95.4Very high95.2Very high85 Ų8548.6 Ų48.646%0.45525%0.249SC..SBendtrans-87.5136.9-178.6175.8-107.8000112.4F275 G279 E280 Q281F275-D277 PolarHBondContact O-N 2.86Å; D277-G279 VanDerWaalsContact C-N 3.33Å; D277-G279 PolarHBondContact O-N 3.39Å; D277-G279 VanDerWaalsContact OD1-CA 3.23Å; D277-G279 WeakPolarHBondContact OD1-CA 3.39Å; D277-G279 PolarHBondContact OD1-N 2.94Å; D277-E280 HydrophobicContact CB-CB 4.13Å; D277-E280 WeakPolarHBondContact O-CB 3.29Å; D277-E280 PolarHBondContact O-N 3.33Å; D277-E280 PolarHBondContact OD1-N 3.41Å; D277-Q281 WeakPolarHBondContact O-CG 3.3Å; D277-Q281 PolarHBondContact O-N 3.31Å
278I96.1Very high95.1Very high60 Ų6049.8 Ų49.831%0.30825%0.254SS..Hα-helixtrans-66.9-33.5-178.5-165.462.7000112.5Q281 Q282 Q325 L329I278-Q281 PolarHBondContact O-N 3.39Å; I278-Q282 PolarHBondContact O-N 2.9Å; I278-Q325 HydrophobicContact CD1-CB 4.11Å; I278-L329 HydrophobicContact CD1-CB 4.02Å; I278-L329 HydrophobicContact CD1-CD2 3.62Å; I278-L329 HydrophobicContact CD1-CG 4.44Å; I278-L329 HydrophobicContact CG1-CD2 4.23Å
279G96.9Very high95Very high24 Ų2450.5 Ų50.525%0.24726%0.257CS..Hα-helixtrans-70.7-32.617600000112.3D277 R283D277-G279 VanDerWaalsContact C-N 3.33Å; D277-G279 PolarHBondContact O-N 3.39Å; D277-G279 VanDerWaalsContact OD1-CA 3.23Å; D277-G279 WeakPolarHBondContact OD1-CA 3.39Å; D277-G279 PolarHBondContact OD1-N 2.94Å; G279-R283 WeakPolarHBondContact O-CG 3.18Å; G279-R283 PolarHBondContact O-N 2.98Å; G279-R283 VanDerWaalsContact O-N 3.17Å; G279-R283 PolarHBondContact O-NE 3.21Å
280E95.3Very high94.8Very high68 Ų6855.7 Ų55.732%0.31828%0.278SS..Hα-helixtrans-67.3-45.3168.7-172.4172.1-163.200112.2F275 D277 Q282 R283 K284F275-E280 HydrophobicContact CD1-CG 4.02Å; D277-E280 HydrophobicContact CB-CB 4.13Å; D277-E280 WeakPolarHBondContact O-CB 3.29Å; D277-E280 PolarHBondContact O-N 3.33Å; D277-E280 PolarHBondContact OD1-N 3.41Å; E280-Q282 VanDerWaalsContact C-N 3.32Å; E280-Q282 PolarHBondContact O-N 3.34Å; E280-R283 PolarHBondContact O-N 3.29Å; E280-K284 VanDerWaalsContact O-CB 3.31Å; E280-K284 WeakPolarHBondContact O-CB 3.39Å; E280-K284 PolarHBondContact O-N 2.92Å
281Q96.9Very high94.5Very high4 Ų456.1 Ų56.12%0.01928%0.284CS..Hα-helixtrans-57.4-45.1174.9-68.7176.123.700111.6F271 F275 D277 I278 K284 L285 T326 L329F271-Q281 HydrophobicContact CE1-CG 3.89Å; F271-Q281 HydrophobicContact CZ-CB 4.36Å; F271-Q281 HydrophobicContact CZ-CG 4.02Å; F275-Q281 HydrophobicContact CB-CG 3.85Å; F275-Q281 WeakPolarHBondContact O-CG 3.44Å; F275-Q281 PolarHBondContact O-NE2 3.46Å; D277-Q281 WeakPolarHBondContact O-CG 3.3Å; D277-Q281 PolarHBondContact O-N 3.31Å; I278-Q281 PolarHBondContact O-N 3.39Å; Q281-K284 PolarHBondContact O-N 3.44Å; Q281-L285 WeakPolarHBondContact O-CB 3.46Å; Q281-L285 VanDerWaalsContact O-CG 3.3Å; Q281-L285 WeakPolarHBondContact O-CG 3.41Å; Q281-L285 PolarHBondContact O-N 3.36Å; Q281-T326 PolarHBondContact OE1-OG1 2.97Å; Q281-L329 HydrophobicContact CB-CD2 3.94Å
282Q97.6Very high94.1Very high66 Ų6659.1 Ų59.131%0.30830%0.298SS..Hα-helixtrans-58.3-54.6176.8179.3176.8-700111.4I278 E280 K284 L285 E286 L329I278-Q282 PolarHBondContact O-N 2.9Å; E280-Q282 VanDerWaalsContact C-N 3.32Å; E280-Q282 PolarHBondContact O-N 3.34Å; Q282-K284 PolarHBondContact O-N 3.47Å; Q282-L285 PolarHBondContact O-N 3.27Å; Q282-E286 HydrophobicContact CG-CG 4.33Å; Q282-E286 PolarHBondContact NE2-OE1 3.01Å; Q282-E286 WeakPolarHBondContact O-CG 3.01Å; Q282-E286 PolarHBondContact O-N 2.8Å; Q282-L329 HydrophobicContact CB-CD1 3.81Å; Q282-L329 HydrophobicContact CB-CD2 4.02Å; Q282-L329 HydrophobicContact CG-CD1 3.93Å
283R96.3Very high93.8Very high157 Ų15758.5 Ų58.559%0.59230%0.296SS*.Hα-helixtrans-57.2-39.4179-75.3-179.5-70135.3-3.6111.6G279 E280 A287G279-R283 WeakPolarHBondContact O-CG 3.18Å; G279-R283 PolarHBondContact O-N 2.98Å; G279-R283 VanDerWaalsContact O-N 3.17Å; G279-R283 PolarHBondContact O-NE 3.21Å; E280-R283 PolarHBondContact O-N 3.29Å; R283-A287 WeakPolarHBondContact O-CB 3.41Å; R283-A287 PolarHBondContact O-N 2.99Å
284K95.5Very high93.3Very high82 Ų8256.4 Ų56.436%0.35729%0.294SS..Hα-helixtrans-66.7-44.2179.5-173.362.4176.9-178.80111.9L242 F275 E280 Q281 Q282 Y288L242-K284 HydrophobicContact CD1-CG 4.15Å; F275-K284 HydrophobicContact CE1-CD 4.26Å; F275-K284 HydrophobicContact CE1-CG 4.25Å; F275-K284 HydrophobicContact CE2-CG 4.23Å; F275-K284 HydrophobicContact CZ-CD 4.12Å; F275-K284 HydrophobicContact CZ-CG 4.04Å; E280-K284 VanDerWaalsContact O-CB 3.31Å; E280-K284 WeakPolarHBondContact O-CB 3.39Å; E280-K284 PolarHBondContact O-N 2.92Å; Q281-K284 PolarHBondContact O-N 3.44Å; Q282-K284 PolarHBondContact O-N 3.47Å; K284-Y288 VanDerWaalsContact O-CB 3.29Å; K284-Y288 WeakPolarHBondContact O-CB 3.32Å; K284-Y288 PolarHBondContact O-N 3.4Å
285L96.6Very high92.7Very high4 Ų457.6 Ų57.62%0.02132%0.315CS..Hα-helixtrans-66-48177.9-71.3173.8000111.8L242 Q281 Q282 A287 Y288 L289 L307 L329 I330 L333L242-L285 HydrophobicContact CD1-CD2 4.3Å; L242-L285 HydrophobicContact CD2-CD2 3.47Å; L242-L285 VanDerWaalsContact CD2-CD2 3.47Å; Q281-L285 WeakPolarHBondContact O-CB 3.46Å; Q281-L285 VanDerWaalsContact O-CG 3.3Å; Q281-L285 WeakPolarHBondContact O-CG 3.41Å; Q281-L285 PolarHBondContact O-N 3.36Å; Q282-L285 PolarHBondContact O-N 3.27Å; L285-A287 PolarHBondContact O-N 3.49Å; L285-Y288 PolarHBondContact O-N 3.15Å; L285-Y288 VanDerWaalsContact O-N 3.15Å; L285-L289 WeakPolarHBondContact O-CG 3.43Å; L285-L289 PolarHBondContact O-N 2.85Å; L285-L307 HydrophobicContact CD1-CD2 4.49Å; L285-L307 HydrophobicContact CD2-CD2 3.47Å; L285-L307 VanDerWaalsContact CD2-CD2 3.47Å; L285-L329 HydrophobicContact CD1-CD2 4.14Å; L285-L329 HydrophobicContact CD1-CG 4.41Å; L285-I330 HydrophobicContact CD1-CG1 4.15Å; L285-L333 HydrophobicContact CB-CD1 3.8Å; L285-L333 HydrophobicContact CD1-CD1 3.88Å
286E95.3Very high92.3Very high65 Ų6558.8 Ų58.830%0.30432%0.322SS..Hα-helixtrans-58.8-48.1177.5-71.6176.4165.100111.1Q282 Y288 L289 Q290 L333Q282-E286 HydrophobicContact CG-CG 4.33Å; Q282-E286 PolarHBondContact NE2-OE1 3.01Å; Q282-E286 WeakPolarHBondContact O-CG 3.01Å; Q282-E286 PolarHBondContact O-N 2.8Å; E286-Y288 VanDerWaalsContact C-N 3.31Å; E286-Y288 PolarHBondContact O-N 2.92Å; E286-L289 PolarHBondContact O-N 3.39Å; E286-Q290 WeakPolarHBondContact O-CB 3.39Å; E286-Q290 PolarHBondContact O-N 3.17Å; E286-L333 HydrophobicContact CG-CD2 3.92Å
287A92.6Very high92.1Very high39 Ų3958 Ų5832%0.32231%0.31SS..Hα-helixtrans-61.8-39175.900000111.9R283 L285 N291R283-A287 WeakPolarHBondContact O-CB 3.41Å; R283-A287 PolarHBondContact O-N 2.99Å; L285-A287 PolarHBondContact O-N 3.49Å; A287-N291 WeakPolarHBondContact O-CB 3.4Å; A287-N291 PolarHBondContact O-N 3.43Å; A287-N291 PolarHBondContact O-ND2 2.88Å
288Y93.3Very high91.8Very high25 Ų2559.9 Ų59.910%0.09832%0.316CS..Hα-helixtrans-65-46.7178.4-168.7-90.4000111.6L242 K243 H246 K284 L285 E286 Q290 N291 H292 F293L242-Y288 HydrophobicContact CB-CD1 4.13Å; L242-Y288 HydrophobicContact CB-CD2 3.9Å; L242-Y288 HydrophobicContact CB-CE1 3.96Å; L242-Y288 HydrophobicContact CB-CE2 3.72Å; L242-Y288 HydrophobicContact CB-CG 4.1Å; L242-Y288 HydrophobicContact CD1-CD1 4.49Å; L242-Y288 HydrophobicContact CD1-CD2 3.82Å; L242-Y288 HydrophobicContact CD1-CE2 4.47Å; L242-Y288 HydrophobicContact CD1-CG 3.83Å; L242-Y288 PolarHBondContact O-OH 3.3Å; K243-Y288 WeakPolarHBondContact CA-OH 3.49Å; K243-Y288 PolarHBondContact N-OH 3.31Å; H246-Y288 HydrophobicContact CB-CE1 4.25Å; H246-Y288 VanDerWaalsContact CB-OH 3.31Å; H246-Y288 WeakPolarHBondContact CB-OH 3.38Å; H246-Y288 PolarHBondContact ND1-OH 3.38Å; K284-Y288 VanDerWaalsContact O-CB 3.29Å; K284-Y288 WeakPolarHBondContact O-CB 3.32Å; K284-Y288 PolarHBondContact O-N 3.4Å; L285-Y288 PolarHBondContact O-N 3.15Å; L285-Y288 VanDerWaalsContact O-N 3.15Å; E286-Y288 VanDerWaalsContact C-N 3.31Å; E286-Y288 PolarHBondContact O-N 2.92Å; Y288-Q290 PolarHBondContact O-N 2.92Å; Y288-N291 PolarHBondContact O-N 3.49Å; Y288-H292 HydrophobicContact CD1-CB 4.42Å; Y288-H292 AromaticContact CD2-CD2 3.38Å; Y288-H292 WeakPolarHBondContact CD2-CD2 3.35Å; Y288-H292 AromaticContact CD2-NE2 3.72Å; Y288-H292 HydrophobicContact CE1-CB 4.11Å; Y288-H292 AromaticContact CE1-CD2 3.98Å; Y288-H292 AromaticContact CE2-CD2 3.31Å; Y288-H292 WeakPolarHBondContact CE2-CD2 3.26Å; Y288-H292 AromaticContact CE2-NE2 3.46Å; Y288-H292 WeakPolarHBondContact CE2-NE2 3.5Å; Y288-H292 AromaticContact CG-CD2 3.75Å; Y288-H292 AromaticContact CZ-CD2 3.62Å; Y288-H292 AromaticContact CZ-CG 3.87Å; Y288-H292 WeakPolarHBondContact O-CB 3.25Å; Y288-H292 PolarHBondContact O-CD2 2.84Å; Y288-H292 PolarHBondContact O-N 2.79Å; Y288-F293 HydrophobicContact CD1-CE2 4.37Å; Y288-F293 HydrophobicContact CE1-CE2 4.14Å
289L92.9Very high91.6Very high14 Ų1459.3 Ų59.37%0.07331%0.311CS..Hα-helixtrans-62-44.8178.3-68174000111.9L285 E286 N291 F293 R300 L304L285-L289 WeakPolarHBondContact O-CG 3.43Å; L285-L289 PolarHBondContact O-N 2.85Å; E286-L289 PolarHBondContact O-N 3.39Å; L289-N291 VanDerWaalsContact C-N 3.3Å; L289-N291 PolarHBondContact O-N 3.15Å; L289-F293 HydrophobicContact CD2-CD2 4.04Å; L289-F293 HydrophobicContact CD2-CE2 4.07Å; L289-F293 WeakPolarHBondContact O-CB 3.4Å; L289-F293 PolarHBondContact O-N 3.05Å; L289-R300 HydrophobicContact CD2-CB 4.16Å; L289-R300 HydrophobicContact CD2-CG 4.18Å; L289-L304 HydrophobicContact CD1-CD1 3.88Å; L289-L304 HydrophobicContact CD1-CD2 4.08Å; L289-L304 HydrophobicContact CD1-CG 4.11Å; L289-L304 HydrophobicContact CD2-CG 4.39Å
290Q89.1Confident91.5Very high142 Ų14260.2 Ų60.266%0.66431%0.307SS*.Hα-helixtrans-61.8-41.3177.2-173.6176.513.200111.5E286 Y288E286-Q290 WeakPolarHBondContact O-CB 3.39Å; E286-Q290 PolarHBondContact O-N 3.17Å; Y288-Q290 PolarHBondContact O-N 2.92Å
291N86.7Confident91.5Very high65 Ų6560.9 Ų60.935%0.34831%0.307SS..Hα-helixtrans-78-37.4-175.6-77.9-42.4000113.5K86 A287 Y288 L289K86-N291 VanDerWaalsContact CD-O 3.22Å; K86-N291 WeakPolarHBondContact CD-O 3.45Å; K86-N291 WeakPolarHBondContact CE-O 3.46Å; K86-N291 PolarHBondContact NZ-O 3.47Å; A287-N291 WeakPolarHBondContact O-CB 3.4Å; A287-N291 PolarHBondContact O-N 3.43Å; A287-N291 PolarHBondContact O-ND2 2.88Å; Y288-N291 PolarHBondContact O-N 3.49Å; L289-N291 VanDerWaalsContact C-N 3.3Å; L289-N291 PolarHBondContact O-N 3.15Å
292H88.3Confident91.4Very high64 Ų6465.3 Ų65.330%0.29633%0.328SS..Hα-helixtrans-104.9-7.2-169.1-69.9-81000114.7H246 R250 Y288H246-H292 AromaticContact CE1-ND1 3.97Å; R250-H292 PolarHBondContact NH2-O 3Å; Y288-H292 HydrophobicContact CD1-CB 4.42Å; Y288-H292 AromaticContact CD2-CD2 3.38Å; Y288-H292 WeakPolarHBondContact CD2-CD2 3.35Å; Y288-H292 AromaticContact CD2-NE2 3.72Å; Y288-H292 HydrophobicContact CE1-CB 4.11Å; Y288-H292 AromaticContact CE1-CD2 3.98Å; Y288-H292 AromaticContact CE2-CD2 3.31Å; Y288-H292 WeakPolarHBondContact CE2-CD2 3.26Å; Y288-H292 AromaticContact CE2-NE2 3.46Å; Y288-H292 WeakPolarHBondContact CE2-NE2 3.5Å; Y288-H292 AromaticContact CG-CD2 3.75Å; Y288-H292 AromaticContact CZ-CD2 3.62Å; Y288-H292 AromaticContact CZ-CG 3.87Å; Y288-H292 WeakPolarHBondContact O-CB 3.25Å; Y288-H292 PolarHBondContact O-CD2 2.84Å; Y288-H292 PolarHBondContact O-N 2.79Å
293F88.4Confident91.4Very high0 Ų062.5 Ų62.50%032%0.315CS..  trans-126.130.2-178.5-62.5-99.5000112.3V249 Y288 L289 M296 E297 K299 R300 C303V249-F293 HydrophobicContact CG2-CE1 4.17Å; V249-F293 HydrophobicContact CG2-CZ 4.24Å; Y288-F293 HydrophobicContact CD1-CE2 4.37Å; Y288-F293 HydrophobicContact CE1-CE2 4.14Å; L289-F293 HydrophobicContact CD2-CD2 4.04Å; L289-F293 HydrophobicContact CD2-CE2 4.07Å; L289-F293 WeakPolarHBondContact O-CB 3.4Å; L289-F293 PolarHBondContact O-N 3.05Å; F293-M296 CarbonylContact O-C 3.44Å; F293-M296 PolarHBondContact O-N 2.91Å; F293-E297 PolarHBondContact O-N 3.42Å; F293-K299 HydrophobicContact CD1-CB 3.89Å; F293-K299 HydrophobicContact CE1-CB 3.83Å; F293-R300 HydrophobicContact CB-CG 3.51Å; F293-R300 HydrophobicContact CD1-CG 4.16Å; F293-R300 HydrophobicContact CD2-CG 4.45Å; F293-R300 HydrophobicContact CG-CG 3.81Å; F293-R300 PolarHBondContact O-NE 3.36Å; F293-R300 PolarHBondContact O-NH2 3.47Å; F293-C303 HydrophobicContact CE1-CB 3.91Å; F293-C303 HydrophobicContact CE2-CB 4.22Å; F293-C303 HydrophobicContact CZ-CB 3.46Å; F293-C303 VanDerWaalsContact CZ-CB 3.46Å; F293-C303 VanDerWaalsContact CZ-SG 3.51Å
294A83.2Confident91.4Very high61 Ų6155.1 Ų55.150%0.50429%0.288SS..THydrogen-bonded Turntrans-69.4124.6165.400000109M296A294-M296 PolarHBondContact O-N 3.49Å
295G82.6Confident91.5Very high64 Ų6454.4 Ų54.466%0.6629%0.286SS*.THydrogen-bonded Turntrans76.52-174.400000114.6E297G295-E297 VanDerWaalsContact CA-OE2 3.22Å; G295-E297 WeakPolarHBondContact CA-OE2 3.37Å; G295-E297 PolarHBondContact N-OE1 3.21Å; G295-E297 PolarHBondContact N-OE2 2.72Å
296M86.9Confident91.6Very high50 Ų5055.6 Ų55.625%0.24629%0.294CS..  trans-13538.1174.5-65.7-177.159.500110.6R250 F293 A294 H298 K299R250-M296 PolarHBondContact NH2-SD 3.38Å; F293-M296 CarbonylContact O-C 3.44Å; F293-M296 PolarHBondContact O-N 2.91Å; A294-M296 PolarHBondContact O-N 3.49Å; M296-H298 PolarHBondContact O-N 3.03Å; M296-K299 HydrophobicContact CE-CD 3.52Å; M296-K299 HydrophobicContact CE-CG 4.02Å; M296-K299 PolarHBondContact O-N 3.12Å
297E88.8Confident91.7Very high79 Ų7952.7 Ų52.737%0.36928%0.281SS..THydrogen-bonded Turntrans-51.5-41.6-176.5-72.561.2-148.600111.4F293 G295 K299 R300 Q341F293-E297 PolarHBondContact O-N 3.42Å; G295-E297 VanDerWaalsContact CA-OE2 3.22Å; G295-E297 WeakPolarHBondContact CA-OE2 3.37Å; G295-E297 PolarHBondContact N-OE1 3.21Å; G295-E297 PolarHBondContact N-OE2 2.72Å; E297-K299 PolarHBondContact O-N 3.37Å; E297-K299 VanDerWaalsContact O-N 3.13Å; E297-R300 VanDerWaalsContact O-CB 3.27Å; E297-R300 WeakPolarHBondContact O-CB 3.45Å; E297-R300 VanDerWaalsContact O-CG 3.27Å; E297-R300 WeakPolarHBondContact O-CG 3.24Å; E297-R300 PolarHBondContact O-N 2.92Å; E297-R300 IonicContact OE1-NH2 3.46Å; E297-R300 PolarHBondContact OE1-NH2 3.15Å; E297-Q341 PolarHBondContact O-NE2 2.91Å
298H88.7Confident91.9Very high125 Ų12553.3 Ų53.358%0.57928%0.276SS*.THydrogen-bonded Turntrans-57-26.9179.964.9-83.6000113.7M296M296-H298 PolarHBondContact O-N 3.03Å
299K91.9Very high92.1Very high47 Ų4756.8 Ų56.820%0.20429%0.294CS..Hα-helixtrans-84.9-7.4177.7-63.1-147.3179.8-173.10114.4V249 F293 M296 E297 Y301 E302 C303V249-K299 PolarHBondContact O-NZ 3.38Å; F293-K299 HydrophobicContact CD1-CB 3.89Å; F293-K299 HydrophobicContact CE1-CB 3.83Å; M296-K299 HydrophobicContact CE-CD 3.52Å; M296-K299 HydrophobicContact CE-CG 4.02Å; M296-K299 PolarHBondContact O-N 3.12Å; E297-K299 PolarHBondContact O-N 3.37Å; E297-K299 VanDerWaalsContact O-N 3.13Å; K299-Y301 VanDerWaalsContact C-N 3.3Å; K299-Y301 PolarHBondContact O-N 3.44Å; K299-E302 PolarHBondContact O-N 2.94Å; K299-C303 WeakPolarHBondContact O-CB 3.19Å; K299-C303 PolarHBondContact O-N 2.92Å
300R94.7Very high92.3Very high43 Ų4356.3 Ų56.316%0.16229%0.291CS..Hα-helixtrans-59.8-42.2-179.6-69.7176.4-173.9167.67.5111.6L289 F293 E297 C303 L304 V337L289-R300 HydrophobicContact CD2-CB 4.16Å; L289-R300 HydrophobicContact CD2-CG 4.18Å; F293-R300 HydrophobicContact CB-CG 3.51Å; F293-R300 HydrophobicContact CD1-CG 4.16Å; F293-R300 HydrophobicContact CD2-CG 4.45Å; F293-R300 HydrophobicContact CG-CG 3.81Å; F293-R300 PolarHBondContact O-NE 3.36Å; F293-R300 PolarHBondContact O-NH2 3.47Å; E297-R300 VanDerWaalsContact O-CB 3.27Å; E297-R300 WeakPolarHBondContact O-CB 3.45Å; E297-R300 VanDerWaalsContact O-CG 3.27Å; E297-R300 WeakPolarHBondContact O-CG 3.24Å; E297-R300 PolarHBondContact O-N 2.92Å; E297-R300 IonicContact OE1-NH2 3.46Å; E297-R300 PolarHBondContact OE1-NH2 3.15Å; R300-C303 PolarHBondContact O-N 3.46Å; R300-L304 WeakPolarHBondContact O-CG 3.29Å; R300-L304 PolarHBondContact O-N 3.49Å; R300-V337 HydrophobicContact CB-CG1 3.81Å; R300-V337 HydrophobicContact CB-CG2 4.27Å
301Y95.1Very high92.6Very high83 Ų8349.6 Ų49.633%0.32526%0.26SS..Hα-helixtrans-63.1-49.1177.3175.8-97.6000111.7K299 C303 L304 M305 A334 L338K299-Y301 VanDerWaalsContact C-N 3.3Å; K299-Y301 PolarHBondContact O-N 3.44Å; Y301-C303 VanDerWaalsContact C-N 3.27Å; Y301-C303 PolarHBondContact O-N 2.99Å; Y301-L304 PolarHBondContact O-N 2.95Å; Y301-L304 VanDerWaalsContact O-N 3.15Å; Y301-M305 HydrophobicContact CD1-CG 4.27Å; Y301-M305 HydrophobicContact CD2-CE 4.2Å; Y301-M305 HydrophobicContact CD2-CG 4.46Å; Y301-M305 HydrophobicContact CE1-CG 3.78Å; Y301-M305 HydrophobicContact CE2-CE 3.3Å; Y301-M305 HydrophobicContact CE2-CG 4.01Å; Y301-M305 HydrophobicContact CE2-SD 4.5Å; Y301-M305 WeakPolarHBondContact O-CG 3.3Å; Y301-M305 PolarHBondContact O-N 3.01Å; Y301-M305 WeakPolarHBondContact OH-CE 3.49Å; Y301-A334 HydrophobicContact CD2-CB 3.99Å; Y301-A334 HydrophobicContact CE2-CB 4.08Å; Y301-L338 HydrophobicContact CD2-CD1 3.89Å; Y301-L338 HydrophobicContact CD2-CD2 3.74Å; Y301-L338 HydrophobicContact CD2-CG 3.56Å; Y301-L338 HydrophobicContact CE2-CD1 3.44Å; Y301-L338 VanDerWaalsContact CE2-CD1 3.44Å; Y301-L338 HydrophobicContact CE2-CD2 3.98Å; Y301-L338 HydrophobicContact CE2-CG 3.69Å; Y301-L338 HydrophobicContact CG-CD2 4.03Å; Y301-L338 HydrophobicContact CG-CG 4.33Å
302E95.3Very high93Very high96 Ų9649.9 Ų49.945%0.44926%0.261SS..Hα-helixtrans-58.6-40177.7-167.5-172.6167.500111.6V249 K299 M305 T306V249-E302 HydrophobicContact CB-CG 4.43Å; V249-E302 HydrophobicContact CG1-CB 4.28Å; V249-E302 HydrophobicContact CG1-CG 3.88Å; K299-E302 PolarHBondContact O-N 2.94Å; E302-M305 PolarHBondContact O-N 3.37Å; E302-T306 WeakPolarHBondContact O-CB 3.35Å; E302-T306 PolarHBondContact O-N 2.81Å; E302-T306 PolarHBondContact O-OG1 3.44Å
303C96.7Very high93.3Very high7 Ų752.6 Ų52.65%0.04727%0.274CS..Hα-helixtrans-65.1-42.6176.5-173.20000112.1V249 F293 K299 R300 Y301 T306 L307V249-C303 HydrophobicContact CG1-CB 4.18Å; V249-C303 HydrophobicContact CG2-CB 4.28Å; F293-C303 HydrophobicContact CE1-CB 3.91Å; F293-C303 HydrophobicContact CE2-CB 4.22Å; F293-C303 HydrophobicContact CZ-CB 3.46Å; F293-C303 VanDerWaalsContact CZ-CB 3.46Å; F293-C303 VanDerWaalsContact CZ-SG 3.51Å; K299-C303 WeakPolarHBondContact O-CB 3.19Å; K299-C303 PolarHBondContact O-N 2.92Å; R300-C303 PolarHBondContact O-N 3.46Å; Y301-C303 VanDerWaalsContact C-N 3.27Å; Y301-C303 PolarHBondContact O-N 2.99Å; C303-T306 PolarHBondContact O-N 3.45Å; C303-L307 WeakPolarHBondContact O-CB 3.37Å; C303-L307 PolarHBondContact O-N 2.9Å
304L97.6Very high93.5Very high2 Ų253 Ų531%0.0128%0.277CS..Hα-helixtrans-65.4-40.5176.6-74.4168.8000111.4L289 R300 Y301 L307 H308 I330 L333 A334 V337L289-L304 HydrophobicContact CD1-CD1 3.88Å; L289-L304 HydrophobicContact CD1-CD2 4.08Å; L289-L304 HydrophobicContact CD1-CG 4.11Å; L289-L304 HydrophobicContact CD2-CG 4.39Å; R300-L304 WeakPolarHBondContact O-CG 3.29Å; R300-L304 PolarHBondContact O-N 3.49Å; Y301-L304 PolarHBondContact O-N 2.95Å; Y301-L304 VanDerWaalsContact O-N 3.15Å; L304-L307 PolarHBondContact O-N 3.18Å; L304-H308 WeakPolarHBondContact O-CB 3.27Å; L304-H308 PolarHBondContact O-N 2.92Å; L304-I330 HydrophobicContact CB-CG2 4.12Å; L304-I330 HydrophobicContact CD2-CG2 4.07Å; L304-I330 WeakPolarHBondContact O-CG2 3.15Å; L304-L333 HydrophobicContact CD1-CB 4.04Å; L304-L333 HydrophobicContact CD2-CB 4.32Å; L304-A334 HydrophobicContact CB-CB 4.09Å; L304-A334 HydrophobicContact CD1-CB 4.03Å; L304-V337 HydrophobicContact CD1-CG2 4.01Å
305M97.6Very high93.9Very high67 Ų6750.5 Ų50.533%0.3326%0.255SS..Hα-helixtrans-68.4-36.9176.4-70-57.2164.900112.5Y301 E302 H308 H309 A334Y301-M305 HydrophobicContact CD1-CG 4.27Å; Y301-M305 HydrophobicContact CD2-CE 4.2Å; Y301-M305 HydrophobicContact CD2-CG 4.46Å; Y301-M305 HydrophobicContact CE1-CG 3.78Å; Y301-M305 HydrophobicContact CE2-CE 3.3Å; Y301-M305 HydrophobicContact CE2-CG 4.01Å; Y301-M305 HydrophobicContact CE2-SD 4.5Å; Y301-M305 WeakPolarHBondContact O-CG 3.3Å; Y301-M305 PolarHBondContact O-N 3.01Å; Y301-M305 WeakPolarHBondContact OH-CE 3.49Å; E302-M305 PolarHBondContact O-N 3.37Å; M305-H308 WeakPolarHBondContact O-CB 3.39Å; M305-H308 PolarHBondContact O-N 3.25Å; M305-H309 WeakPolarHBondContact O-CB 3.39Å; M305-H309 PolarHBondContact O-N 2.88Å; M305-A334 HydrophobicContact CE-CB 3.52Å
306T97.5Very high94Very high29 Ų2950.5 Ų50.518%0.17824%0.242CC..Hα-helixtrans-61.8-47.3171.7-590000110.8C245 L248 V249 E302 C303 H308 H309 V310C245-T306 HydrophobicContact CB-CG2 4.15Å; L248-T306 HydrophobicContact CB-CG2 3.98Å; L248-T306 HydrophobicContact CD1-CG2 3.54Å; L248-T306 HydrophobicContact CG-CG2 4.44Å; V249-T306 WeakPolarHBondContact CG1-OG1 3.48Å; E302-T306 WeakPolarHBondContact O-CB 3.35Å; E302-T306 PolarHBondContact O-N 2.81Å; E302-T306 PolarHBondContact O-OG1 3.44Å; C303-T306 PolarHBondContact O-N 3.45Å; T306-H308 PolarHBondContact O-N 3.18Å; T306-H309 PolarHBondContact O-N 2.66Å; T306-V310 WeakPolarHBondContact O-CG2 3.4Å; T306-V310 PolarHBondContact O-N 3.32Å
307L97.9Very high93.4Very high5 Ų553 Ų533%0.02626%0.263CS..Hα-helixtrans-61.1-44.117617965.4000111.6L241 L242 C245 L285 C303 L304 H309 V310 V311 I330L241-L307 HydrophobicContact CD1-CD1 4.32Å; L241-L307 HydrophobicContact CD2-CD1 3.72Å; L241-L307 HydrophobicContact CG-CD1 3.73Å; L242-L307 HydrophobicContact CD2-CD1 4.14Å; L242-L307 HydrophobicContact CD2-CD2 3.86Å; C245-L307 HydrophobicContact CB-CB 4.45Å; L285-L307 HydrophobicContact CD1-CD2 4.49Å; L285-L307 HydrophobicContact CD2-CD2 3.47Å; L285-L307 VanDerWaalsContact CD2-CD2 3.47Å; C303-L307 WeakPolarHBondContact O-CB 3.37Å; C303-L307 PolarHBondContact O-N 2.9Å; L304-L307 PolarHBondContact O-N 3.18Å; L307-H309 VanDerWaalsContact C-N 3.33Å; L307-H309 PolarHBondContact O-N 3.04Å; L307-V310 PolarHBondContact O-N 2.97Å; L307-V311 HydrophobicContact CD1-CG2 3.95Å; L307-V311 HydrophobicContact CG-CG2 4.29Å; L307-V311 WeakPolarHBondContact O-CB 3.31Å; L307-V311 VanDerWaalsContact O-CG2 3.27Å; L307-V311 WeakPolarHBondContact O-CG2 3.49Å; L307-V311 PolarHBondContact O-N 3.49Å; L307-I330 HydrophobicContact CD2-CD1 3.87Å; L307-I330 HydrophobicContact CD2-CG1 4.08Å; L307-I330 HydrophobicContact CG-CD1 3.82Å
308H97.9Very high92.6Very high51 Ų5156.9 Ų56.924%0.23629%0.286CS..Hα-helixtrans-56.7-48176.4-176.7-80.1000111L304 M305 T306 N312 L327 I330L304-H308 WeakPolarHBondContact O-CB 3.27Å; L304-H308 PolarHBondContact O-N 2.92Å; M305-H308 WeakPolarHBondContact O-CB 3.39Å; M305-H308 PolarHBondContact O-N 3.25Å; T306-H308 PolarHBondContact O-N 3.18Å; H308-N312 VanDerWaalsContact O-CB 3.24Å; H308-N312 WeakPolarHBondContact O-CB 3.3Å; H308-N312 PolarHBondContact O-N 3.29Å; H308-L327 VanDerWaalsContact O-CD2 3.29Å; H308-L327 WeakPolarHBondContact O-CD2 3.48Å; H308-I330 HydrophobicContact CB-CG2 3.8Å
309H96.8Very high92.1Very high99 Ų9952.7 Ų52.746%0.45827%0.267SS..Hα-helixtrans-61.5-49.7178.7179.969.4000111.9M305 T306 L307 V311 N312 E313M305-H309 WeakPolarHBondContact O-CB 3.39Å; M305-H309 PolarHBondContact O-N 2.88Å; T306-H309 PolarHBondContact O-N 2.66Å; L307-H309 VanDerWaalsContact C-N 3.33Å; L307-H309 PolarHBondContact O-N 3.04Å; H309-V311 PolarHBondContact O-N 2.9Å; H309-N312 PolarHBondContact O-N 3.15Å; H309-E313 IonicContact CE1-OE1 3.12Å; H309-E313 PolarHBondContact CE1-OE1 3.06Å; H309-E313 IonicContact CE1-OE2 3.8Å; H309-E313 IonicContact ND1-OE1 3.95Å; H309-E313 IonicContact NE2-OE1 3.99Å; H309-E313 IonicContact NE2-OE2 3.57Å; H309-E313 PolarHBondContact NE2-OE2 3.35Å; H309-E313 PolarHBondContact O-N 3.37Å
310V96.1Very high91.8Very high3 Ų352.3 Ų52.32%0.01827%0.271CS..Hα-helixtrans-61-45.1179.3175.50000111.4L241 Y244 Q264 T306 L307 N312 S314L241-V310 HydrophobicContact CD1-CG1 3.75Å; Y244-V310 HydrophobicContact CE1-CG1 4.48Å; Y244-V310 HydrophobicContact CE1-CG2 4.04Å; Q264-V310 HydrophobicContact CB-CG1 4.14Å; Q264-V310 HydrophobicContact CG-CG1 3.98Å; T306-V310 WeakPolarHBondContact O-CG2 3.4Å; T306-V310 PolarHBondContact O-N 3.32Å; L307-V310 PolarHBondContact O-N 2.97Å; V310-N312 VanDerWaalsContact C-N 3.33Å; V310-N312 PolarHBondContact O-N 3.46Å; V310-S314 VanDerWaalsContact O-CB 3.3Å; V310-S314 WeakPolarHBondContact O-CB 3.37Å; V310-S314 PolarHBondContact O-N 3.41Å
311V96.3Very high91.5Very high1 Ų155.2 Ų55.21%0.00629%0.286CS..Hα-helixtrans-63.9-38.9177.5171.70000111.2L241 F272 L307 H309 T315 R323 T326 L327 I330L241-V311 HydrophobicContact CD2-CG2 4.1Å; F272-V311 HydrophobicContact CZ-CG1 4.21Å; L307-V311 HydrophobicContact CD1-CG2 3.95Å; L307-V311 HydrophobicContact CG-CG2 4.29Å; L307-V311 WeakPolarHBondContact O-CB 3.31Å; L307-V311 VanDerWaalsContact O-CG2 3.27Å; L307-V311 WeakPolarHBondContact O-CG2 3.49Å; L307-V311 PolarHBondContact O-N 3.49Å; H309-V311 PolarHBondContact O-N 2.9Å; V311-T315 WeakPolarHBondContact O-CB 3.49Å; V311-T315 PolarHBondContact O-N 3.11Å; V311-T315 PolarHBondContact O-OG1 3.07Å; V311-R323 HydrophobicContact CG1-CG 4.41Å; V311-T326 HydrophobicContact CG1-CG2 4.47Å; V311-L327 HydrophobicContact CB-CD2 3.99Å; V311-L327 HydrophobicContact CG1-CD2 3.8Å; V311-L327 HydrophobicContact CG1-CG 4.17Å; V311-I330 HydrophobicContact CG2-CD1 4.34Å
312N95.5Very high91.3Very high72 Ų7255 Ų5539%0.38529%0.288SS..Hα-helixtrans-66.4-46-179.6-175.850.3000112.2H308 H309 V310 R323 L327H308-N312 VanDerWaalsContact O-CB 3.24Å; H308-N312 WeakPolarHBondContact O-CB 3.3Å; H308-N312 PolarHBondContact O-N 3.29Å; H309-N312 PolarHBondContact O-N 3.15Å; V310-N312 VanDerWaalsContact C-N 3.33Å; V310-N312 PolarHBondContact O-N 3.46Å; N312-R323 PolarHBondContact O-NH1 3.42Å; N312-L327 HydrophobicContact CB-CD1 4.14Å; N312-L327 HydrophobicContact CB-CD2 4.03Å
313E93.7Very high91.2Very high121 Ų12153.4 Ų53.457%0.56528%0.278SS*.Hα-helixtrans-81-35.4-175.3-65.6-158.1152.600114.1H309H309-E313 IonicContact CE1-OE1 3.12Å; H309-E313 PolarHBondContact CE1-OE1 3.06Å; H309-E313 IonicContact CE1-OE2 3.8Å; H309-E313 IonicContact ND1-OE1 3.95Å; H309-E313 IonicContact NE2-OE1 3.99Å; H309-E313 IonicContact NE2-OE2 3.57Å; H309-E313 PolarHBondContact NE2-OE2 3.35Å; H309-E313 PolarHBondContact O-N 3.37Å
314S93.4Very high91Very high9 Ų960.8 Ų60.86%0.06330%0.304CS..Hα-helixtrans-106-3.4-168.3-70.10000114.9Q264 R265 V310 V316Q264-S314 VanDerWaalsContact CB-OG 3.3Å; Q264-S314 WeakPolarHBondContact CB-OG 3.46Å; Q264-S314 PolarHBondContact OE1-OG 3.2Å; R265-S314 WeakPolarHBondContact CA-O 3.31Å; R265-S314 WeakPolarHBondContact CG-O 3.42Å; V310-S314 VanDerWaalsContact O-CB 3.3Å; V310-S314 WeakPolarHBondContact O-CB 3.37Å; V310-S314 PolarHBondContact O-N 3.41Å; S314-V316 PolarHBondContact O-N 2.94Å
315T90.4Very high90.9Very high7 Ų764.7 Ų64.74%0.04332%0.323CS..SBendtrans-78.2123.8172.8-58.80000110.8F272 V311 M319 R323F272-T315 HydrophobicContact CD2-CG2 4.45Å; F272-T315 HydrophobicContact CE2-CG2 3.63Å; F272-T315 HydrophobicContact CZ-CG2 4.24Å; V311-T315 WeakPolarHBondContact O-CB 3.49Å; V311-T315 PolarHBondContact O-N 3.11Å; V311-T315 PolarHBondContact O-OG1 3.07Å; T315-M319 HydrophobicContact CG2-CB 3.99Å; T315-M319 HydrophobicContact CG2-CE 4.12Å; T315-R323 HydrophobicContact CG2-CB 3.95Å; T315-R323 HydrophobicContact CG2-CG 4.16Å
316V84.8Confident90.9Very high64 Ų6461.5 Ų61.539%0.38831%0.307SS..  trans-64.8144.9-179.5-174.10000111.1S314 L318 M319S314-V316 PolarHBondContact O-N 2.94Å; V316-L318 PolarHBondContact O-N 2.94Å; V316-M319 PolarHBondContact O-N 3.45Å
317C74.2Confident90.9Very high102 Ų10261 Ų6169%0.68930%0.303SS*.G310 helixtrans-53.5-26.5-174.5-58.80000115.1M319 S320C317-M319 PolarHBondContact O-N 3.29Å; C317-S320 WeakPolarHBondContact O-CB 3.46Å; C317-S320 PolarHBondContact O-N 3Å; C317-S320 PolarHBondContact O-OG 2.99Å
318L72.2Confident90.9Very high162 Ų16264.6 Ų64.685%0.84833%0.329SS*.G310 helixtrans-62.8-20.4178.9-69.8170.3000113.5V316V316-L318 PolarHBondContact O-N 2.94Å
319M79.4Confident90.9Very high36 Ų3662.6 Ų62.618%0.17732%0.32CS..G310 helixtrans-109.239.1179.5-63.4-175.8-73.900112.1F272 T315 V316 C317 H321 E322 R323F272-M319 HydrophobicContact CB-SD 3.89Å; F272-M319 HydrophobicContact CD2-CE 3.8Å; F272-M319 HydrophobicContact CD2-SD 3.68Å; F272-M319 HydrophobicContact CE2-CE 4.39Å; F272-M319 HydrophobicContact CG-SD 4.02Å; T315-M319 HydrophobicContact CG2-CB 3.99Å; T315-M319 HydrophobicContact CG2-CE 4.12Å; V316-M319 PolarHBondContact O-N 3.45Å; C317-M319 PolarHBondContact O-N 3.29Å; M319-H321 VanDerWaalsContact C-N 3.31Å; M319-H321 PolarHBondContact O-N 3.38Å; M319-E322 VanDerWaalsContact CA-OE2 3.25Å; M319-E322 WeakPolarHBondContact CA-OE2 3.48Å; M319-E322 HydrophobicContact CB-CB 4.45Å; M319-R323 WeakPolarHBondContact O-CB 3.43Å; M319-R323 PolarHBondContact O-N 2.96Å
320S83.9Confident90.9Very high40 Ų4057.9 Ų57.928%0.2830%0.298SS..Hα-helixtrans-67.5-27.9-172.7-74.30000114C317 R324C317-S320 WeakPolarHBondContact O-CB 3.46Å; C317-S320 PolarHBondContact O-N 3Å; C317-S320 PolarHBondContact O-OG 2.99Å; S320-R324 WeakPolarHBondContact O-CG 3.37Å; S320-R324 PolarHBondContact O-N 3.32Å; S320-R324 PolarHBondContact O-NE 3.45Å
321H88.5Confident91Very high104 Ų10459.9 Ų59.948%0.48131%0.312SS..Hα-helixtrans-76-51.5178.5-178.573.7000110.7M319 R323 R324 Q325M319-H321 VanDerWaalsContact C-N 3.31Å; M319-H321 PolarHBondContact O-N 3.38Å; H321-R323 VanDerWaalsContact C-N 3.29Å; H321-R323 PolarHBondContact O-N 3.3Å; H321-R324 PolarHBondContact O-N 2.97Å; H321-R324 VanDerWaalsContact O-N 3.08Å; H321-Q325 VanDerWaalsContact NE2-CD 3.33Å; H321-Q325 PolarHBondContact NE2-NE2 2.94Å; H321-Q325 VanDerWaalsContact NE2-NE2 3.14Å; H321-Q325 PolarHBondContact O-N 3.36Å; H321-Q325 VanDerWaalsContact O-N 3.08Å
322E90.6Very high91Very high78 Ų7864.1 Ų64.136%0.36433%0.333SS..Hα-helixtrans-55.8-46.7176.4-6081.7175.200110F272 M319 R324 Q325 T326F272-E322 HydrophobicContact CD1-CB 4.14Å; F272-E322 HydrophobicContact CE1-CB 4.14Å; M319-E322 VanDerWaalsContact CA-OE2 3.25Å; M319-E322 WeakPolarHBondContact CA-OE2 3.48Å; M319-E322 HydrophobicContact CB-CB 4.45Å; E322-R324 VanDerWaalsContact C-N 3.35Å; E322-R324 PolarHBondContact O-N 3.26Å; E322-Q325 PolarHBondContact O-N 2.89Å; E322-T326 PolarHBondContact O-N 3.39Å; E322-T326 PolarHBondContact O-OG1 3.45Å; E322-T326 VanDerWaalsContact O-OG1 3.07Å
323R93.1Very high91.1Very high63 Ų6360.9 Ų60.924%0.23832%0.315CS..Hα-helixtrans-52.2-50.6174.6-174.8177.667.4169.6-6111.9V311 N312 T315 M319 H321 Q325 T326 L327V311-R323 HydrophobicContact CG1-CG 4.41Å; N312-R323 PolarHBondContact O-NH1 3.42Å; T315-R323 HydrophobicContact CG2-CB 3.95Å; T315-R323 HydrophobicContact CG2-CG 4.16Å; M319-R323 WeakPolarHBondContact O-CB 3.43Å; M319-R323 PolarHBondContact O-N 2.96Å; H321-R323 VanDerWaalsContact C-N 3.29Å; H321-R323 PolarHBondContact O-N 3.3Å; R323-Q325 PolarHBondContact O-N 2.84Å; R323-T326 PolarHBondContact O-N 3.42Å; R323-L327 HydrophobicContact CG-CD1 3.82Å; R323-L327 HydrophobicContact CG-CG 4.27Å; R323-L327 WeakPolarHBondContact O-CB 3.39Å; R323-L327 WeakPolarHBondContact O-CG 3.46Å; R323-L327 PolarHBondContact O-N 2.9Å
324R94.4Very high91.1Very high161 Ų16155.1 Ų55.161%0.60829%0.289SS*.Hα-helixtrans-64.6-41.1-178.3-76.1-177.9-66.1-1520.5112.1S320 H321 E322 S328S320-R324 WeakPolarHBondContact O-CG 3.37Å; S320-R324 PolarHBondContact O-N 3.32Å; S320-R324 PolarHBondContact O-NE 3.45Å; H321-R324 PolarHBondContact O-N 2.97Å; H321-R324 VanDerWaalsContact O-N 3.08Å; E322-R324 VanDerWaalsContact C-N 3.35Å; E322-R324 PolarHBondContact O-N 3.26Å; R324-S328 WeakPolarHBondContact O-CB 3.11Å; R324-S328 PolarHBondContact O-N 3.4Å
325Q95.6Very high91.1Very high84 Ų8460.1 Ų60.139%0.39331%0.314SS..Hα-helixtrans-62.7-47.3177.1-70.6-178.7-4100111.3I278 H321 E322 R323 S328 L329I278-Q325 HydrophobicContact CD1-CB 4.11Å; H321-Q325 VanDerWaalsContact NE2-CD 3.33Å; H321-Q325 PolarHBondContact NE2-NE2 2.94Å; H321-Q325 VanDerWaalsContact NE2-NE2 3.14Å; H321-Q325 PolarHBondContact O-N 3.36Å; H321-Q325 VanDerWaalsContact O-N 3.08Å; E322-Q325 PolarHBondContact O-N 2.89Å; R323-Q325 PolarHBondContact O-N 2.84Å; Q325-S328 WeakPolarHBondContact O-CB 3.41Å; Q325-S328 PolarHBondContact O-N 3.17Å; Q325-L329 WeakPolarHBondContact O-CB 3.45Å; Q325-L329 PolarHBondContact O-N 3.33Å
326T96.4Very high91.3Very high1 Ų164.5 Ų64.51%0.00633%0.332CS..Hα-helixtrans-66.5-41.2179.4-55.90000112.2F271 F272 Q281 V311 E322 R323 S328 L329 I330F271-T326 HydrophobicContact CE1-CG2 4.23Å; F272-T326 HydrophobicContact CE1-CG2 4.34Å; F272-T326 WeakPolarHBondContact CE1-OG1 3.36Å; Q281-T326 PolarHBondContact OE1-OG1 2.97Å; V311-T326 HydrophobicContact CG1-CG2 4.47Å; E322-T326 PolarHBondContact O-N 3.39Å; E322-T326 PolarHBondContact O-OG1 3.45Å; E322-T326 VanDerWaalsContact O-OG1 3.07Å; R323-T326 PolarHBondContact O-N 3.42Å; T326-S328 VanDerWaalsContact C-N 3.33Å; T326-S328 PolarHBondContact O-N 2.88Å; T326-L329 WeakPolarHBondContact O-CB 3.43Å; T326-L329 PolarHBondContact O-N 3.22Å; T326-I330 HydrophobicContact CG2-CD1 3.86Å; T326-I330 HydrophobicContact CG2-CG1 4.4Å; T326-I330 WeakPolarHBondContact O-CD1 3.23Å; T326-I330 VanDerWaalsContact O-CG1 3.23Å; T326-I330 WeakPolarHBondContact O-CG1 3.38Å; T326-I330 PolarHBondContact O-N 2.91Å
327L97.4Very high91.6Very high19 Ų1961.9 Ų61.910%0.09932%0.316CS..Hα-helixtrans-62.3-40.3174.7-69.6175.2000111.9H308 V311 N312 R323 I330 S331H308-L327 VanDerWaalsContact O-CD2 3.29Å; H308-L327 WeakPolarHBondContact O-CD2 3.48Å; V311-L327 HydrophobicContact CB-CD2 3.99Å; V311-L327 HydrophobicContact CG1-CD2 3.8Å; V311-L327 HydrophobicContact CG1-CG 4.17Å; N312-L327 HydrophobicContact CB-CD1 4.14Å; N312-L327 HydrophobicContact CB-CD2 4.03Å; R323-L327 HydrophobicContact CG-CD1 3.82Å; R323-L327 HydrophobicContact CG-CG 4.27Å; R323-L327 WeakPolarHBondContact O-CB 3.39Å; R323-L327 WeakPolarHBondContact O-CG 3.46Å; R323-L327 PolarHBondContact O-N 2.9Å; L327-I330 PolarHBondContact O-N 3.25Å; L327-S331 WeakPolarHBondContact O-CB 3.49Å; L327-S331 PolarHBondContact O-N 3.45Å; L327-S331 PolarHBondContact O-OG 2.93Å
328S97.5Very high92.3Very high79 Ų7958.9 Ų58.955%0.55229%0.293SS*.Hα-helixtrans-63.9-42.2174.4-171.70000111.8R324 Q325 T326 S331 M332R324-S328 WeakPolarHBondContact O-CB 3.11Å; R324-S328 PolarHBondContact O-N 3.4Å; Q325-S328 WeakPolarHBondContact O-CB 3.41Å; Q325-S328 PolarHBondContact O-N 3.17Å; T326-S328 VanDerWaalsContact C-N 3.33Å; T326-S328 PolarHBondContact O-N 2.88Å; S328-S331 PolarHBondContact O-N 3.49Å; S328-M332 WeakPolarHBondContact O-CB 3.48Å; S328-M332 PolarHBondContact O-N 2.91Å
329L97.8Very high93Very high9 Ų953.3 Ų53.35%0.04727%0.271CS..Hα-helixtrans-61.1-49.1175.4168.462.9000111.3I278 Q281 Q282 L285 Q325 T326 S331 M332 L333I278-L329 HydrophobicContact CD1-CB 4.02Å; I278-L329 HydrophobicContact CD1-CD2 3.62Å; I278-L329 HydrophobicContact CD1-CG 4.44Å; I278-L329 HydrophobicContact CG1-CD2 4.23Å; Q281-L329 HydrophobicContact CB-CD2 3.94Å; Q282-L329 HydrophobicContact CB-CD1 3.81Å; Q282-L329 HydrophobicContact CB-CD2 4.02Å; Q282-L329 HydrophobicContact CG-CD1 3.93Å; L285-L329 HydrophobicContact CD1-CD2 4.14Å; L285-L329 HydrophobicContact CD1-CG 4.41Å; Q325-L329 WeakPolarHBondContact O-CB 3.45Å; Q325-L329 PolarHBondContact O-N 3.33Å; T326-L329 WeakPolarHBondContact O-CB 3.43Å; T326-L329 PolarHBondContact O-N 3.22Å; L329-S331 VanDerWaalsContact C-N 3.29Å; L329-S331 PolarHBondContact O-N 3.39Å; L329-M332 HydrophobicContact CD1-CE 3.72Å; L329-M332 PolarHBondContact O-N 3.42Å; L329-L333 HydrophobicContact CD1-CD1 4.06Å; L329-L333 HydrophobicContact CD1-CG 4.1Å; L329-L333 HydrophobicContact CG-CD1 4.28Å; L329-L333 WeakPolarHBondContact O-CG 3.18Å; L329-L333 PolarHBondContact O-N 3.21Å
330I97.9Very high93.3Very high1 Ų157 Ų571%0.00529%0.288CS..Hα-helixtrans-60-42.7179.1-66.1161.5000110.4L285 L304 L307 H308 V311 T326 L327 L333 A334L285-I330 HydrophobicContact CD1-CG1 4.15Å; L304-I330 HydrophobicContact CB-CG2 4.12Å; L304-I330 HydrophobicContact CD2-CG2 4.07Å; L304-I330 WeakPolarHBondContact O-CG2 3.15Å; L307-I330 HydrophobicContact CD2-CD1 3.87Å; L307-I330 HydrophobicContact CD2-CG1 4.08Å; L307-I330 HydrophobicContact CG-CD1 3.82Å; H308-I330 HydrophobicContact CB-CG2 3.8Å; V311-I330 HydrophobicContact CG2-CD1 4.34Å; T326-I330 HydrophobicContact CG2-CD1 3.86Å; T326-I330 HydrophobicContact CG2-CG1 4.4Å; T326-I330 WeakPolarHBondContact O-CD1 3.23Å; T326-I330 VanDerWaalsContact O-CG1 3.23Å; T326-I330 WeakPolarHBondContact O-CG1 3.38Å; T326-I330 PolarHBondContact O-N 2.91Å; L327-I330 PolarHBondContact O-N 3.25Å; I330-L333 PolarHBondContact O-N 3.33Å; I330-A334 WeakPolarHBondContact O-CB 3.49Å; I330-A334 PolarHBondContact O-N 2.63Å
331S97.2Very high93Very high44 Ų4458.5 Ų58.531%0.30829%0.29SS..Hα-helixtrans-61.8-44.3177.3-60.10000112L327 S328 L329 A334 L335L327-S331 WeakPolarHBondContact O-CB 3.49Å; L327-S331 PolarHBondContact O-N 3.45Å; L327-S331 PolarHBondContact O-OG 2.93Å; S328-S331 PolarHBondContact O-N 3.49Å; L329-S331 VanDerWaalsContact C-N 3.29Å; L329-S331 PolarHBondContact O-N 3.39Å; S331-A334 PolarHBondContact O-N 2.87Å; S331-L335 WeakPolarHBondContact O-CG 3.4Å; S331-L335 PolarHBondContact O-N 3.23Å
332M97.1Very high91.9Very high90 Ų9060.4 Ų60.444%0.44330%0.304SS..Hα-helixtrans-62.7-44.3176.7175.8-98.9-72.200111.9S328 L329 A334 L335 K336S328-M332 WeakPolarHBondContact O-CB 3.48Å; S328-M332 PolarHBondContact O-N 2.91Å; L329-M332 HydrophobicContact CD1-CE 3.72Å; L329-M332 PolarHBondContact O-N 3.42Å; M332-A334 VanDerWaalsContact C-N 3.32Å; M332-A334 PolarHBondContact O-N 3.37Å; M332-L335 PolarHBondContact O-N 2.89Å; M332-K336 PolarHBondContact O-N 3.41Å
333L96.6Very high90.3Very high5 Ų559.4 Ų59.43%0.02631%0.309CS..Hα-helixtrans-63-38.3174.7-69.9176.8000111.9L285 E286 L304 L329 I330 K336 V337L285-L333 HydrophobicContact CB-CD1 3.8Å; L285-L333 HydrophobicContact CD1-CD1 3.88Å; E286-L333 HydrophobicContact CG-CD2 3.92Å; L304-L333 HydrophobicContact CD1-CB 4.04Å; L304-L333 HydrophobicContact CD2-CB 4.32Å; L329-L333 HydrophobicContact CD1-CD1 4.06Å; L329-L333 HydrophobicContact CD1-CG 4.1Å; L329-L333 HydrophobicContact CG-CD1 4.28Å; L329-L333 WeakPolarHBondContact O-CG 3.18Å; L329-L333 PolarHBondContact O-N 3.21Å; I330-L333 PolarHBondContact O-N 3.33Å; L333-K336 WeakPolarHBondContact O-CB 3.15Å; L333-K336 PolarHBondContact O-N 3.07Å; L333-V337 WeakPolarHBondContact O-CG2 3.41Å; L333-V337 PolarHBondContact O-N 2.91Å
334A95.1Very high88.1Confident0 Ų060.2 Ų60.20%032%0.317CS..Hα-helixtrans-67.5-39.8178.900000112.2Y301 L304 M305 I330 S331 M332 K336 V337 L338Y301-A334 HydrophobicContact CD2-CB 3.99Å; Y301-A334 HydrophobicContact CE2-CB 4.08Å; L304-A334 HydrophobicContact CB-CB 4.09Å; L304-A334 HydrophobicContact CD1-CB 4.03Å; M305-A334 HydrophobicContact CE-CB 3.52Å; I330-A334 WeakPolarHBondContact O-CB 3.49Å; I330-A334 PolarHBondContact O-N 2.63Å; S331-A334 PolarHBondContact O-N 2.87Å; M332-A334 VanDerWaalsContact C-N 3.32Å; M332-A334 PolarHBondContact O-N 3.37Å; A334-K336 VanDerWaalsContact C-N 3.34Å; A334-V337 PolarHBondContact O-N 2.96Å; A334-L338 WeakPolarHBondContact O-CG 3.45Å; A334-L338 PolarHBondContact O-N 3.22Å
335L93.4Very high85.7Confident113 Ų11357 Ų5759%0.59232%0.317SS*.Hα-helixtrans-62.5-41.2172.6-71.9172.2000111.7S331 M332 L338 A339S331-L335 WeakPolarHBondContact O-CG 3.4Å; S331-L335 PolarHBondContact O-N 3.23Å; M332-L335 PolarHBondContact O-N 2.89Å; L335-L338 PolarHBondContact O-N 2.68Å; L335-A339 PolarHBondContact O-N 3.21Å
336K93.2Very high83.3Confident100 Ų10057.9 Ų57.944%0.43533%0.328SS..Hα-helixtrans-59.8-46174.4-179.2179.6173.8-176.80111.5M332 L333 A334 L338 A339 E340M332-K336 PolarHBondContact O-N 3.41Å; L333-K336 WeakPolarHBondContact O-CB 3.15Å; L333-K336 PolarHBondContact O-N 3.07Å; A334-K336 VanDerWaalsContact C-N 3.34Å; K336-L338 VanDerWaalsContact C-N 3.35Å; K336-L338 PolarHBondContact O-N 3.34Å; K336-A339 WeakPolarHBondContact O-CB 3.23Å; K336-A339 PolarHBondContact O-N 3.37Å; K336-E340 WeakPolarHBondContact CE-OE1 3.38Å; K336-E340 WeakPolarHBondContact CG-OE1 3.25Å; K336-E340 WeakPolarHBondContact O-CG 3.5Å; K336-E340 PolarHBondContact O-N 3.11Å
337V91.7Very high81Confident8 Ų863.1 Ų63.15%0.04836%0.36CS..Hα-helixtrans-61.3-41.3176.61700000111.7R300 L304 L333 A334 A339 E340 Q341R300-V337 HydrophobicContact CB-CG1 3.81Å; R300-V337 HydrophobicContact CB-CG2 4.27Å; L304-V337 HydrophobicContact CD1-CG2 4.01Å; L333-V337 WeakPolarHBondContact O-CG2 3.41Å; L333-V337 PolarHBondContact O-N 2.91Å; A334-V337 PolarHBondContact O-N 2.96Å; V337-A339 VanDerWaalsContact C-N 3.35Å; V337-E340 PolarHBondContact O-N 3.02Å; V337-Q341 WeakPolarHBondContact O-CB 3.5Å; V337-Q341 VanDerWaalsContact O-CG 3.26Å; V337-Q341 WeakPolarHBondContact O-CG 3.47Å; V337-Q341 PolarHBondContact O-N 2.98Å
338L89.3Confident78.7Confident39 Ų3967.2 Ų67.220%0.20439%0.386CS..Hα-helixtrans-63.8-39.8175.2-73.4175.3000112.5Y301 A334 L335 K336 Q341 N342 A343 I344Y301-L338 HydrophobicContact CD2-CD1 3.89Å; Y301-L338 HydrophobicContact CD2-CD2 3.74Å; Y301-L338 HydrophobicContact CD2-CG 3.56Å; Y301-L338 HydrophobicContact CE2-CD1 3.44Å; Y301-L338 VanDerWaalsContact CE2-CD1 3.44Å; Y301-L338 HydrophobicContact CE2-CD2 3.98Å; Y301-L338 HydrophobicContact CE2-CG 3.69Å; Y301-L338 HydrophobicContact CG-CD2 4.03Å; Y301-L338 HydrophobicContact CG-CG 4.33Å; A334-L338 WeakPolarHBondContact O-CG 3.45Å; A334-L338 PolarHBondContact O-N 3.22Å; L335-L338 PolarHBondContact O-N 2.68Å; K336-L338 VanDerWaalsContact C-N 3.35Å; K336-L338 PolarHBondContact O-N 3.34Å; L338-Q341 PolarHBondContact O-N 3Å; L338-N342 PolarHBondContact O-N 2.91Å; L338-A343 HydrophobicContact CD2-CB 4.02Å; L338-A343 PolarHBondContact O-N 3.08Å; L338-I344 HydrophobicContact CB-CG1 4.43Å
339A87.6Confident76.3Confident46 Ų4670.3 Ų70.338%0.3840%0.397SS..Hα-helixtrans-62.8-46.317600000111.4L335 K336 V337 Q341 N342 I344L335-A339 PolarHBondContact O-N 3.21Å; K336-A339 WeakPolarHBondContact O-CB 3.23Å; K336-A339 PolarHBondContact O-N 3.37Å; V337-A339 VanDerWaalsContact C-N 3.35Å; A339-Q341 VanDerWaalsContact C-N 3.25Å; A339-Q341 PolarHBondContact O-N 3.31Å; A339-N342 PolarHBondContact O-N 3.32Å; A339-N342 VanDerWaalsContact O-N 3.15Å; A339-I344 HydrophobicContact CB-CD1 3.52Å; A339-I344 HydrophobicContact CB-CG1 4.39Å
340E85.5Confident73.8Confident114 Ų11473.2 Ų73.253%0.53342%0.415SS..Hα-helixtrans-62.5-31.9177.6-72.3172.3-173.200112.6K336 V337 N342K336-E340 WeakPolarHBondContact CE-OE1 3.38Å; K336-E340 WeakPolarHBondContact CG-OE1 3.25Å; K336-E340 WeakPolarHBondContact O-CG 3.5Å; K336-E340 PolarHBondContact O-N 3.11Å; V337-E340 PolarHBondContact O-N 3.02Å; E340-N342 VanDerWaalsContact C-N 3.26Å; E340-N342 PolarHBondContact O-N 3.39Å
341Q77.5Confident71.4Confident71 Ų7178.1 Ų78.133%0.33244%0.444SS..THydrogen-bonded Turntrans-82.33.2178.5-70.7175.74.300113.8E297 V337 L338 A339 A343E297-Q341 PolarHBondContact O-NE2 2.91Å; V337-Q341 WeakPolarHBondContact O-CB 3.5Å; V337-Q341 VanDerWaalsContact O-CG 3.26Å; V337-Q341 WeakPolarHBondContact O-CG 3.47Å; V337-Q341 PolarHBondContact O-N 2.98Å; L338-Q341 PolarHBondContact O-N 3Å; A339-Q341 VanDerWaalsContact C-N 3.25Å; A339-Q341 PolarHBondContact O-N 3.31Å; Q341-A343 HydrophobicContact CB-CB 4.39Å; Q341-A343 PolarHBondContact O-N 3.08Å; Q341-A343 VanDerWaalsContact O-N 3.11Å
342N65.4Low69.1Low144 Ų14481.2 Ų81.277%0.7747%0.465SS*.THydrogen-bonded Turntrans52.725.2-170.9-67.3-35.3000113.3L338 A339 E340 I344L338-N342 PolarHBondContact O-N 2.91Å; A339-N342 PolarHBondContact O-N 3.32Å; A339-N342 VanDerWaalsContact O-N 3.15Å; E340-N342 VanDerWaalsContact C-N 3.26Å; E340-N342 PolarHBondContact O-N 3.39Å; N342-I344 VanDerWaalsContact C-N 3.27Å
343A55.9Low66.6Low57 Ų5786.8 Ų86.847%0.47148%0.482SS..  trans-87.20.9175.500000112.2L338 Q341L338-A343 HydrophobicContact CD2-CB 4.02Å; L338-A343 PolarHBondContact O-N 3.08Å; Q341-A343 HydrophobicContact CB-CB 4.39Å; Q341-A343 PolarHBondContact O-N 3.08Å; Q341-A343 VanDerWaalsContact O-N 3.11Å
344I47.3Very low64.6Low79 Ų7995.9 Ų95.941%0.40552%0.518SS..SBendtrans-82.3114.9158.6-56.4-179.7000105.5L338 A339 N342 T346L338-I344 HydrophobicContact CB-CG1 4.43Å; A339-I344 HydrophobicContact CB-CD1 3.52Å; A339-I344 HydrophobicContact CB-CG1 4.39Å; N342-I344 VanDerWaalsContact C-N 3.27Å; I344-T346 PolarHBondContact O-N 3.14Å; I344-T346 VanDerWaalsContact O-N 3.11Å
345P44.4Very low62.3Low93 Ų93104.4 Ų104.460%0.60456%0.558SS**  trans-53127.2173.121.5-30000107.3V347 V350P345-V347 PolarHBondContact O-N 3.2Å; P345-V350 HydrophobicContact CG-CG2 4.4Å
346T44.1Very low60.3Low103 Ų103101.4 Ų101.463%0.63255%0.545SS*.  trans-44119178.5-36.10000107.9I344 T348 N349I344-T346 PolarHBondContact O-N 3.14Å; I344-T346 VanDerWaalsContact O-N 3.11Å; T346-T348 WeakPolarHBondContact CB-OG1 3.25Å; T346-T348 HydrophobicContact CG2-CG2 4.04Å; T346-T348 VanDerWaalsContact CG2-OG1 3.25Å; T346-T348 WeakPolarHBondContact CG2-OG1 3.36Å; T346-T348 PolarHBondContact O-N 3.39Å; T346-T348 PolarHBondContact O-OG1 3.04Å; T346-N349 PolarHBondContact O-N 2.83Å
347V48.7Very low58.1Low111 Ų11198.2 Ų98.267%0.67354%0.538SS*.G310 helixtrans-60.7-6.8-174.2-162.60000111.7P345 N349 V350P345-V347 PolarHBondContact O-N 3.2Å; V347-N349 PolarHBondContact O-N 3.45Å; V347-V350 HydrophobicContact CG1-CB 4.47Å; V347-V350 PolarHBondContact O-N 3.17Å
348T49.6Very low56.3Low105 Ų105104.1 Ų104.164%0.64458%0.576SS**G310 helixtrans-56.2-25.1168.450.90000113.5T346T346-T348 WeakPolarHBondContact CB-OG1 3.25Å; T346-T348 HydrophobicContact CG2-CG2 4.04Å; T346-T348 VanDerWaalsContact CG2-OG1 3.25Å; T346-T348 WeakPolarHBondContact CG2-OG1 3.36Å; T346-T348 PolarHBondContact O-N 3.39Å; T346-T348 PolarHBondContact O-OG1 3.04Å
349N46.5Very low54.9Low145 Ų145111.7 Ų111.778%0.77560%0.603SS**G310 helixtrans-123.618.6-179.1-68.70.1000114.5T346 V347 T351T346-N349 PolarHBondContact O-N 2.83Å; V347-N349 PolarHBondContact O-N 3.45Å; N349-T351 PolarHBondContact O-N 3.01Å
350V44.8Very low53.2Low70 Ų70113 Ų11342%0.42461%0.607SS.*  trans-90.497.6173.6-178.20000109P345 V347 C352P345-V350 HydrophobicContact CG-CG2 4.4Å; V347-V350 HydrophobicContact CG1-CB 4.47Å; V347-V350 PolarHBondContact O-N 3.17Å; V350-C352 PolarHBondContact O-N 3.47Å
351T48.9Very low51.7Low103 Ų103116 Ų11663%0.63262%0.621SS**  trans-76.398.5168.4-400000108.6N349 Y353N349-T351 PolarHBondContact O-N 3.01Å; T351-Y353 HydrophobicContact CG2-CE2 4.32Å; T351-Y353 PolarHBondContact O-N 3.23Å
352C48.1Very low50.2Low110 Ų110119.1 Ų119.174%0.74364%0.64SS**  trans-72.1107.5170.7-70.60000109.4V350 Y354V350-C352 PolarHBondContact O-N 3.47Å; C352-Y354 PolarHBondContact O-N 3.39Å
353Y45.8Very low49.5Very low206 Ų206120.1 Ų120.181%0.80864%0.643SS**  trans-75.493.7167.6-69-84.1000108.8T351 Q355T351-Y353 HydrophobicContact CG2-CE2 4.32Å; T351-Y353 PolarHBondContact O-N 3.23Å; Y353-Q355 PolarHBondContact O-N 3.07Å
354Y52.8Low49.1Very low197 Ų197124.7 Ų124.777%0.77366%0.66SS**  trans-74.7109167-170.4-96.4000108.2C352 P356C352-Y354 PolarHBondContact O-N 3.39Å; Y354-P356 WeakPolarHBondContact O-CD 3.4Å
355Q47.4Very low48.9Very low178 Ų178128.7 Ų128.783%0.83267%0.674SS**  trans-83.1115.4170.4-156.9172.3-3.900107.5Y353Y353-Q355 PolarHBondContact O-N 3.07Å
356P51.8Low48.7Very low50 Ų50129 Ų12933%0.32568%0.679SS.*  trans-60.7148.3-177.9-18.529.9000111.2Y354 V360 F365Y354-P356 WeakPolarHBondContact O-CD 3.4Å; P356-V360 HydrophobicContact CB-CB 4.33Å; P356-F365 HydrophobicContact CG-CE2 4.36Å; P356-F365 HydrophobicContact CG-CZ 3.71Å
357A47.2Very low48.3Very low34 Ų34131.7 Ų131.728%0.28169%0.689SS.*  trans-56.4143.2173.300000110.6Y359 V360A357-Y359 HydrophobicContact CB-CD1 3.93Å; A357-Y359 HydrophobicContact CB-CE1 3.4Å; A357-Y359 VanDerWaalsContact CB-CE1 3.4Å; A357-Y359 PolarHBondContact O-N 3.2Å; A357-V360 PolarHBondContact O-N 3.42Å; A357-V360 VanDerWaalsContact O-N 3.11Å
358P53.3Low47.8Very low132 Ų132136.8 Ų136.886%0.85770%0.698SS**THydrogen-bonded Turntrans-64.2-1.3-163.620-31.2000116.7
359Y59.6Low47.6Very low197 Ų197142.3 Ų142.377%0.77371%0.709SS**THydrogen-bonded Turntrans-95.9-3176.959.7-96.9000113.9A357 Q361A357-Y359 HydrophobicContact CB-CD1 3.93Å; A357-Y359 HydrophobicContact CB-CE1 3.4Å; A357-Y359 VanDerWaalsContact CB-CE1 3.4Å; A357-Y359 PolarHBondContact O-N 3.2Å; Y359-Q361 PolarHBondContact O-N 3.29Å
360V52.6Low47.2Very low75 Ų75141.4 Ų141.446%0.45570%0.702SS.*  trans-89.682176.2-170.60000109.1P356 A357P356-V360 HydrophobicContact CB-CB 4.33Å; A357-V360 PolarHBondContact O-N 3.42Å; A357-V360 VanDerWaalsContact O-N 3.11Å
361Q54Low46.6Very low177 Ų177141.5 Ų141.583%0.82771%0.71SS**  trans-93.684.3165.4-75.5-174.9-10.200108.6Y359Y359-Q361 PolarHBondContact O-N 3.29Å
362D45.6Very low45.9Very low136 Ų136144.9 Ų144.973%0.72772%0.719SS**  trans-131.7124.2165.5-90.3-40.8000111.4N364D362-N364 PolarHBondContact O-N 3.41Å; D362-N364 VanDerWaalsContact O-N 3.1Å
363I50.6Low45.4Very low165 Ų165146 Ų14685%0.84672%0.722SS**SBendtrans-78.985.7-174.8-61.1164.9000107.7
364N48.6Very low44.8Very low153 Ų153145.2 Ų145.282%0.81873%0.725SS**  trans-177.979.7154.1-101.7-27.3000111.3D362D362-N364 PolarHBondContact O-N 3.41Å; D362-N364 VanDerWaalsContact O-N 3.1Å
365F42.7Very low43.9Very low163 Ų163139.9 Ų139.972%0.71572%0.723SS**  trans-96.287.3169.6-95.2-90.2000110.3P356P356-F365 HydrophobicContact CG-CE2 4.36Å; P356-F365 HydrophobicContact CG-CZ 3.71Å
366S39.3Very low43.4Very low100 Ų100137.3 Ų137.370%0.69972%0.721SS**  trans-146.162163.5-74.10000109.5
367N36.5Very low42.5Very low159 Ų159143.5 Ų143.585%0.8575%0.746SS**  trans-143.786.2167.5-83.2-36.3000108.3Y369N367-Y369 PolarHBondContact O-N 3.41Å
368Y38.7Very low42.1Very low217 Ų217149.5 Ų149.585%0.85177%0.772SS**  trans-74.1114.8164.2-67.3-83.9000107.6I370Y368-I370 PolarHBondContact O-N 2.83Å
369Y44.4Very low41Very low222 Ų222149.3 Ų149.387%0.87177%0.768SS**  trans-82.5107.5170.6-165.6-91.4000108.7N367 A371N367-Y369 PolarHBondContact O-N 3.41Å; Y369-A371 HydrophobicContact CE1-CB 4.3Å
370I38.9Very low39.8Very low125 Ų125148.7 Ų148.764%0.64177%0.772SS**  trans-92.1110.4170.4-60177.4000107.2Y368 H372Y368-I370 PolarHBondContact O-N 2.83Å; I370-H372 PolarHBondContact O-N 3.1Å
371A32.2Very low38.7Very low72 Ų72151.6 Ų151.660%0.59579%0.794SS**  trans-73.6105.9173.300000109.7Y369 V373Y369-A371 HydrophobicContact CE1-CB 4.3Å; A371-V373 PolarHBondContact O-N 3.11Å
372H34Very low37.5Very low174 Ų174148.4 Ų148.481%0.80679%0.791SS**  trans-79.8110.7170.5-77.4-66.1000110.1I370I370-H372 PolarHBondContact O-N 3.1Å
373V38.1Very low36.8Very low133 Ų133149.3 Ų149.381%0.80680%0.796SS**  trans-90.5113.6170.9-173.30000108.3A371A371-V373 PolarHBondContact O-N 3.11Å
374Q32.3Very low35.9Very low190 Ų190146.7 Ų146.789%0.88879%0.792SS**PPolyproline II helixtrans-69.7133.2171.9-91.1177.3-27.300110.6
375A33.9Very low34.9Very low86 Ų86150 Ų15071%0.71180%0.795SS**PPolyproline II helixtrans-69.6145.6175.200000111.6Q377A375-Q377 PolarHBondContact O-N 3.24Å
376P37.7Very low34.4Very low124 Ų124149.7 Ų149.781%0.80580%0.795SS**PPolyproline II helixtrans-74.3123.1179.228.5-30000110.5
377Q31.8Very low34Very low180 Ų180151.3 Ų151.384%0.84180%0.801SS**PPolyproline II helixtrans-77.9130.1169.7-70.6-148.1-43.100110.7A375A375-Q377 PolarHBondContact O-N 3.24Å
378I38.3Very low33.7Very low160 Ų160153.9 Ų153.982%0.82180%0.799SS**PPolyproline II helixtrans-76.7116.4172.8-60.3165000107.7
379T30.6Very low33.6Very low128 Ų128150.5 Ų150.579%0.78580%0.795SS**  trans-125.8113.7167.235.70000110.6
380H34.4Very low33.1Very low184 Ų184145.1 Ų145.185%0.85279%0.787SS**  trans-60.8134.9162.4-92.3-84.7000110
381C29.9Very low32.8Very low135 Ų135145 Ų14591%0.91280%0.797SS**  trans-154.7131.3153.8-104.10000112.8
382S29.8Very low33Very low110 Ų110151 Ų15177%0.76983%0.834SS**  trans-77.8152.917846.10000113.8
383N30.6Very low32.9Very low156 Ų156149.9 Ų149.983%0.83484%0.836SS**  trans15.1127.7154.4-76.9-11.2000119.5
384S31Very low32.7Very low109 Ų109150.8 Ų150.876%0.76284%0.837SS**  164.7127.6106.540.80000114.2
385Y28.7Very low32.7Very low224 Ų224148.6 Ų148.688%0.87883%0.834SS**  trans59.5145148.5-69.6-79.7000125.2
386Q32Very low32.6Very low155 Ų155152.3 Ų152.372%0.72484%0.842SS**  trans-64.7158.6-176.4-61.5170.5-40.100115.1
387T30.5Very low32.3Very low134 Ų134154.1 Ų154.182%0.82284%0.844SS**  -175.2127.8108.433.90000112.5
388W30.1Very low32.3Very low214 Ų214152.3 Ų152.381%0.81184%0.844SS**  trans-17.9146.9146-70.998.9000115.7
389L35.8Very low31.9Very low145 Ų145151.8 Ų151.876%0.75985%0.846SS**  cis179-168.643.4-102.3147.4000106.3
390P35.7Very low32Very low110 Ų110153.6 Ų153.671%0.71485%0.85SS**  cis-129.7179.9-34.229.8-9.4000113.3
391C32.7Very low31.8Very low123 Ų123151.1 Ų151.183%0.83185%0.85SS**  trans-58.3157.3173.8-54.50000115.8
392S35.2Very low32Very low198 Ų198152.5 Ų152.5100%1.38585%0.845SS**  trans-132.60146.5-57.10000108.4

Retrieved 392 of 392 residues in 655.6 ms (Link to these results)

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