A0A3Q0KGI7_SCHMA Loading...

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AlphaFold DB (A0A5K4EF28), UniProt , Accession A0A3Q0KGI7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 322 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
1M42Very low34Very low222 Ų222166.5 Ų166.5100%1.09476%0.762SS**  0-27.20-93.5178.4166.400114.8Y3M1-Y3 VanDerWaalsContact C-N 3.33Å; M1-Y3 PolarHBondContact O-N 2.81Å
2Q41.8Very low34.1Very low181 Ų181164.9 Ų164.985%0.84677%0.765SS**G310 helixtrans-68.5-25.3-178.3-122.2155.5-700114.7L4 K5Q2-L4 VanDerWaalsContact C-N 3.3Å; Q2-L4 PolarHBondContact O-N 3.25Å; Q2-K5 PolarHBondContact O-N 3.39Å
3Y31.3Very low34.5Very low225 Ų225156.9 Ų156.988%0.88274%0.739SS**G310 helixtrans-72-18.7-177.8-146.2-95.8000114.2M1M1-Y3 VanDerWaalsContact C-N 3.33Å; M1-Y3 PolarHBondContact O-N 2.81Å
4L33.9Very low35.2Very low140 Ų140152.6 Ų152.673%0.73373%0.734SS**G310 helixtrans-90.1-13.9179.3-72.7169.3000113.8Q2 N6Q2-L4 VanDerWaalsContact C-N 3.3Å; Q2-L4 PolarHBondContact O-N 3.25Å; L4-N6 VanDerWaalsContact C-N 3.32Å; L4-N6 PolarHBondContact O-N 3.03Å
5K34.8Very low35.8Very low166 Ų166153.5 Ų153.572%0.72273%0.729SS**G310 helixtrans-74.1-20.9178.6-90.3-175.2173.4-178.20113.6Q2 K7Q2-K5 PolarHBondContact O-N 3.39Å; K5-K7 VanDerWaalsContact C-N 3.32Å; K5-K7 PolarHBondContact O-N 2.81Å
6N33.2Very low36.7Very low131 Ų131149 Ų14970%0.70171%0.706SS**G310 helixtrans-79-3.6-177-88.8-5.4000115.6L4 T9L4-N6 VanDerWaalsContact C-N 3.32Å; L4-N6 PolarHBondContact O-N 3.03Å; N6-T9 PolarHBondContact O-OG1 3.16Å
7K31.9Very low37.4Very low173 Ų173145.3 Ų145.375%0.75270%0.697SS**G310 helixtrans-90.5-15.8173.7-91.3-170.2176.9-176.80114.4K5 T9K5-K7 VanDerWaalsContact C-N 3.32Å; K5-K7 PolarHBondContact O-N 2.81Å; K7-T9 VanDerWaalsContact C-N 3.34Å
8Y28.2Very low38.4Very low195 Ų195140.3 Ų140.377%0.76567%0.672SS**G310 helixtrans-84.8-6.7178.8-76.8-81.8000113.8
9T32.9Very low39.2Very low90 Ų90135.2 Ų135.255%0.55265%0.649SS**G310 helixtrans-79.8-13-179.62.80000114.2N6 K7 W11 N12N6-T9 PolarHBondContact O-OG1 3.16Å; K7-T9 VanDerWaalsContact C-N 3.34Å; T9-W11 PolarHBondContact O-N 2.91Å; T9-N12 PolarHBondContact O-N 2.95Å
10I31.9Very low40Very low129 Ų129137.9 Ų137.966%0.66265%0.652SS**G310 helixtrans-68.9-21.2178.2-61.9175.5000111.5
11W32.5Very low40.9Very low179 Ų179135.1 Ų135.168%0.67864%0.639SS**G310 helixtrans-91.3-5.9-177.5-7590.2000115.2T9 F16T9-W11 PolarHBondContact O-N 2.91Å; W11-F16 HydrophobicContact CD2-CZ 4.47Å; W11-F16 AromaticContact CE3-CE1 3.9Å; W11-F16 HydrophobicContact CE3-CE1 3.9Å; W11-F16 HydrophobicContact CE3-CE2 4.11Å; W11-F16 AromaticContact CE3-CZ 3.63Å; W11-F16 HydrophobicContact CE3-CZ 3.63Å; W11-F16 HydrophobicContact CZ3-CD1 4.5Å; W11-F16 AromaticContact CZ3-CE1 3.63Å; W11-F16 HydrophobicContact CZ3-CE1 3.63Å; W11-F16 AromaticContact CZ3-CZ 3.69Å; W11-F16 HydrophobicContact CZ3-CZ 3.69Å
12N35.2Very low41.9Very low148 Ų148125.2 Ų125.279%0.79159%0.59SS**G310 helixtrans-100.613.7-178.9-94.1-9.4000114.3T9 S14T9-N12 PolarHBondContact O-N 2.95Å; N12-S14 PolarHBondContact O-N 3.23Å
13S38.7Very low42.8Very low61 Ų61120 Ų12043%0.42757%0.567SS.*SBendtrans-71.6129.5173.2-171.80000109.8Y15 F16S13-Y15 PolarHBondContact O-N 3.14Å; S13-F16 PolarHBondContact O-N 3.29Å
14S45.3Very low44.2Very low97 Ų97113 Ų11368%0.67855%0.547SS*.THydrogen-bonded Turntrans-48.11.8-177390000117.9N12 P17N12-S14 PolarHBondContact O-N 3.23Å; S14-P17 WeakPolarHBondContact O-CD 3.49Å
15Y43.6Very low45.5Very low166 Ų166109.7 Ų109.765%0.65153%0.533SS*.THydrogen-bonded Turntrans-89.3-12.1179-72.5-84.7000114.4S13 P17 L19S13-Y15 PolarHBondContact O-N 3.14Å; Y15-P17 VanDerWaalsContact C-CD 3.49Å; Y15-L19 PolarHBondContact O-N 3.17Å
16F49.4Very low47Very low81 Ų81102.5 Ų102.536%0.35550%0.502SS..Hα-helixtrans-74.9-27-179-80.3-79.4000117.4W11 S13 E18 L19 R20W11-F16 HydrophobicContact CD2-CZ 4.47Å; W11-F16 AromaticContact CE3-CE1 3.9Å; W11-F16 HydrophobicContact CE3-CE1 3.9Å; W11-F16 HydrophobicContact CE3-CE2 4.11Å; W11-F16 AromaticContact CE3-CZ 3.63Å; W11-F16 HydrophobicContact CE3-CZ 3.63Å; W11-F16 HydrophobicContact CZ3-CD1 4.5Å; W11-F16 AromaticContact CZ3-CE1 3.63Å; W11-F16 HydrophobicContact CZ3-CE1 3.63Å; W11-F16 AromaticContact CZ3-CZ 3.69Å; W11-F16 HydrophobicContact CZ3-CZ 3.69Å; S13-F16 PolarHBondContact O-N 3.29Å; F16-E18 VanDerWaalsContact C-N 3.35Å; F16-L19 HydrophobicContact CD1-CD2 3.73Å; F16-L19 HydrophobicContact CE1-CD2 3.75Å; F16-L19 WeakPolarHBondContact O-CB 3.49Å; F16-L19 PolarHBondContact O-N 3.2Å; F16-R20 WeakPolarHBondContact O-CB 3.49Å; F16-R20 PolarHBondContact O-N 3.26Å
17P50Low48.4Very low86 Ų8699.2 Ų99.256%0.55849%0.489SS*.Hα-helixtrans-63.9-43.2176.5-14.826.4000111.4S14 Y15 L19 R20 Q21S14-P17 WeakPolarHBondContact O-CD 3.49Å; Y15-P17 VanDerWaalsContact C-CD 3.49Å; P17-L19 VanDerWaalsContact C-N 3.31Å; P17-L19 PolarHBondContact O-N 2.99Å; P17-R20 PolarHBondContact O-N 2.91Å; P17-Q21 WeakPolarHBondContact O-CB 3.34Å; P17-Q21 PolarHBondContact O-N 2.72Å
18E54.1Low50.1Low55 Ų5593 Ų9326%0.25747%0.468SS..Hα-helixtrans-61.3-42176.8-58.7-175.4170.600110.8F16 Q21 F22 I275 K279F16-E18 VanDerWaalsContact C-N 3.35Å; E18-Q21 PolarHBondContact O-N 3.16Å; E18-F22 WeakPolarHBondContact O-CB 3.25Å; E18-F22 PolarHBondContact O-N 3.41Å; E18-I275 HydrophobicContact CB-CG2 4.42Å; E18-I275 HydrophobicContact CG-CG2 4.45Å; E18-K279 VanDerWaalsContact OE1-CE 3.27Å; E18-K279 WeakPolarHBondContact OE1-CE 3.36Å; E18-K279 IonicContact OE1-NZ 2.66Å; E18-K279 PolarHBondContact OE1-NZ 2.96Å
19L53.5Low51.6Low44 Ų4488.4 Ų88.423%0.2346%0.463CS..Hα-helixtrans-61.5-48.1175.5178.655.6000112.2Y15 F16 P17 Q21 F22 I23 F258Y15-L19 PolarHBondContact O-N 3.17Å; F16-L19 HydrophobicContact CD1-CD2 3.73Å; F16-L19 HydrophobicContact CE1-CD2 3.75Å; F16-L19 WeakPolarHBondContact O-CB 3.49Å; F16-L19 PolarHBondContact O-N 3.2Å; P17-L19 VanDerWaalsContact C-N 3.31Å; P17-L19 PolarHBondContact O-N 2.99Å; L19-Q21 VanDerWaalsContact C-N 3.3Å; L19-Q21 PolarHBondContact O-N 2.97Å; L19-F22 PolarHBondContact O-N 3.29Å; L19-I23 HydrophobicContact CD1-CD1 3.7Å; L19-I23 HydrophobicContact CD1-CG1 4.06Å; L19-I23 HydrophobicContact CG-CD1 3.89Å; L19-I23 WeakPolarHBondContact O-CG1 3.49Å; L19-I23 PolarHBondContact O-N 2.9Å; L19-F258 HydrophobicContact CD1-CD2 4.34Å; L19-F258 HydrophobicContact CD1-CE1 4.34Å; L19-F258 HydrophobicContact CD1-CE2 3.15Å; L19-F258 HydrophobicContact CD1-CZ 3.15Å; L19-F258 HydrophobicContact CD2-CZ 4.49Å; L19-F258 HydrophobicContact CG-CZ 4.43Å
20R56.9Low53Low189 Ų18989.6 Ų89.671%0.71347%0.471SS*.Hα-helixtrans-61.5-43-179.7-170.2178.8-167.6-102.31.5110.6F16 P17 I23 T24F16-R20 WeakPolarHBondContact O-CB 3.49Å; F16-R20 PolarHBondContact O-N 3.26Å; P17-R20 PolarHBondContact O-N 2.91Å; R20-I23 PolarHBondContact O-N 3.15Å; R20-T24 WeakPolarHBondContact O-CB 3.16Å; R20-T24 PolarHBondContact O-N 3Å; R20-T24 PolarHBondContact O-OG1 3.41Å
21Q58.7Low54.9Low79 Ų7983.8 Ų83.837%0.36944%0.442SS..Hα-helixtrans-65-46178.3-166.1171.714.700111.6P17 E18 L19 I23 T24 V25 S278P17-Q21 WeakPolarHBondContact O-CB 3.34Å; P17-Q21 PolarHBondContact O-N 2.72Å; E18-Q21 PolarHBondContact O-N 3.16Å; L19-Q21 VanDerWaalsContact C-N 3.3Å; L19-Q21 PolarHBondContact O-N 2.97Å; Q21-I23 PolarHBondContact O-N 3.31Å; Q21-T24 PolarHBondContact O-N 3.2Å; Q21-V25 HydrophobicContact CG-CG2 4.48Å; Q21-V25 WeakPolarHBondContact O-CG2 3.42Å; Q21-V25 PolarHBondContact O-N 3.25Å; Q21-S278 PolarHBondContact NE2-O 2.98Å
22F62.7Low57.1Low15 Ų1577.9 Ų77.97%0.06642%0.424CS..Hα-helixtrans-56.1-50.7175.3-177.8-94.9000111.4E18 L19 T24 V25 E26 Y257 F258E18-F22 WeakPolarHBondContact O-CB 3.25Å; E18-F22 PolarHBondContact O-N 3.41Å; L19-F22 PolarHBondContact O-N 3.29Å; F22-T24 PolarHBondContact O-N 3.19Å; F22-V25 PolarHBondContact O-N 2.91Å; F22-E26 HydrophobicContact CD1-CG 4.27Å; F22-E26 HydrophobicContact CD2-CG 4.35Å; F22-E26 HydrophobicContact CE1-CG 4.01Å; F22-E26 HydrophobicContact CE2-CG 4.1Å; F22-E26 HydrophobicContact CG-CG 4.45Å; F22-E26 HydrophobicContact CZ-CG 3.93Å; F22-E26 VanDerWaalsContact O-CB 3.31Å; F22-E26 WeakPolarHBondContact O-CB 3.45Å; F22-E26 WeakPolarHBondContact O-CG 3.27Å; F22-E26 PolarHBondContact O-N 2.73Å; F22-Y257 HydrophobicContact CE1-CE1 4.23Å; F22-Y257 AromaticContact CZ-CE1 3.79Å; F22-Y257 HydrophobicContact CZ-CE1 3.79Å; F22-Y257 AromaticContact CZ-CZ 3.98Å; F22-F258 HydrophobicContact CD1-CD2 4.1Å; F22-F258 HydrophobicContact CD1-CE2 4.2Å; F22-F258 AromaticContact CE1-CD2 3.9Å; F22-F258 HydrophobicContact CE1-CD2 3.9Å; F22-F258 HydrophobicContact CE1-CE2 4.42Å
23I61.2Low59.4Low72 Ų7275.8 Ų75.837%0.36941%0.412SS..Hα-helixtrans-61.4-45.6178.7-66.5168.9000110.7L19 R20 Q21 V25 E26 S27L19-I23 HydrophobicContact CD1-CD1 3.7Å; L19-I23 HydrophobicContact CD1-CG1 4.06Å; L19-I23 HydrophobicContact CG-CD1 3.89Å; L19-I23 WeakPolarHBondContact O-CG1 3.49Å; L19-I23 PolarHBondContact O-N 2.9Å; R20-I23 PolarHBondContact O-N 3.15Å; Q21-I23 PolarHBondContact O-N 3.31Å; I23-V25 PolarHBondContact O-N 2.73Å; I23-E26 PolarHBondContact O-N 3.46Å; I23-S27 VanDerWaalsContact O-CB 3.25Å; I23-S27 WeakPolarHBondContact O-CB 3.35Å; I23-S27 PolarHBondContact O-N 3.12Å; I23-S27 PolarHBondContact O-OG 3.33Å
24T60Low61.8Low76 Ų7674 Ų7447%0.46640%0.397SS..Hα-helixtrans-63.7-42.6-176.1-55.40000111.8R20 Q21 F22 S27 S28R20-T24 WeakPolarHBondContact O-CB 3.16Å; R20-T24 PolarHBondContact O-N 3Å; R20-T24 PolarHBondContact O-OG1 3.41Å; Q21-T24 PolarHBondContact O-N 3.2Å; F22-T24 PolarHBondContact O-N 3.19Å; T24-S27 PolarHBondContact O-OG 3.19Å; T24-S28 PolarHBondContact O-N 3.44Å; T24-S28 VanDerWaalsContact O-N 3.15Å
25V61.1Low63.7Low72 Ų7275 Ų7544%0.43639%0.39SS..Hα-helixtrans-67.4-45.1177.4173.80000110.5Q21 F22 I23 S27 S28Q21-V25 HydrophobicContact CG-CG2 4.48Å; Q21-V25 WeakPolarHBondContact O-CG2 3.42Å; Q21-V25 PolarHBondContact O-N 3.25Å; F22-V25 PolarHBondContact O-N 2.91Å; I23-V25 PolarHBondContact O-N 2.73Å; V25-S27 VanDerWaalsContact C-N 3.3Å; V25-S27 PolarHBondContact O-N 2.63Å; V25-S28 PolarHBondContact O-N 2.66Å
26E65.5Low65.7Low14 Ų1467.9 Ų67.97%0.06536%0.363CS..Hα-helixtrans-72.1-21.8-178.3-66.2-75.8-16400113.2F22 I23 R188 Y257F22-E26 HydrophobicContact CD1-CG 4.27Å; F22-E26 HydrophobicContact CD2-CG 4.35Å; F22-E26 HydrophobicContact CE1-CG 4.01Å; F22-E26 HydrophobicContact CE2-CG 4.1Å; F22-E26 HydrophobicContact CG-CG 4.45Å; F22-E26 HydrophobicContact CZ-CG 3.93Å; F22-E26 VanDerWaalsContact O-CB 3.31Å; F22-E26 WeakPolarHBondContact O-CB 3.45Å; F22-E26 WeakPolarHBondContact O-CG 3.27Å; F22-E26 PolarHBondContact O-N 2.73Å; I23-E26 PolarHBondContact O-N 3.46Å; E26-R188 VanDerWaalsContact OE2-CD 3.26Å; E26-R188 WeakPolarHBondContact OE2-CD 3.31Å; E26-R188 VanDerWaalsContact OE2-CG 3.25Å; E26-R188 WeakPolarHBondContact OE2-CG 3.24Å; E26-R188 IonicContact OE2-CZ 3.29Å; E26-R188 IonicContact OE2-NE 3.67Å; E26-R188 PolarHBondContact OE2-NE 2.94Å; E26-R188 IonicContact OE2-NH2 3.35Å; E26-Y257 PolarHBondContact OE1-OH 3.01Å
27S64.2Low67.2Low62 Ų6267.8 Ų67.843%0.43438%0.377SS..THydrogen-bonded Turntrans-97.3-2.7176.470.50000114.5I23 T24 V25I23-S27 VanDerWaalsContact O-CB 3.25Å; I23-S27 WeakPolarHBondContact O-CB 3.35Å; I23-S27 PolarHBondContact O-N 3.12Å; I23-S27 PolarHBondContact O-OG 3.33Å; T24-S27 PolarHBondContact O-OG 3.19Å; V25-S27 VanDerWaalsContact C-N 3.3Å; V25-S27 PolarHBondContact O-N 2.63Å
28S66.1Low68.8Low42 Ų4263.9 Ų63.929%0.29435%0.351SS..SBendtrans-67.7142.7179.6174.40000111.5T24 V25 T30 G31 I190T24-S28 PolarHBondContact O-N 3.44Å; T24-S28 VanDerWaalsContact O-N 3.15Å; V25-S28 PolarHBondContact O-N 2.66Å; S28-T30 WeakPolarHBondContact CB-OG1 3.33Å; S28-T30 PolarHBondContact O-N 3.29Å; S28-T30 VanDerWaalsContact O-N 3.11Å; S28-T30 PolarHBondContact OG-N 3.47Å; S28-T30 PolarHBondContact OG-OG1 3.27Å; S28-G31 WeakPolarHBondContact O-CA 3.38Å; S28-G31 PolarHBondContact O-N 3.47Å; S28-I190 VanDerWaalsContact C-CD1 3.5Å; S28-I190 WeakPolarHBondContact O-CD1 3.35Å
29C59.6Low70.5Confident99 Ų9961.7 Ų61.767%0.66934%0.342SS*.G310 helixtrans-56.5-25.9174.2-64.80000113.5G31 L32C29-G31 PolarHBondContact O-N 3.44Å; C29-L32 HydrophobicContact CB-CD1 4.38Å; C29-L32 WeakPolarHBondContact O-CB 3.18Å; C29-L32 WeakPolarHBondContact O-CG 3.47Å; C29-L32 PolarHBondContact O-N 3.39Å; C29-L32 VanDerWaalsContact O-N 3.09Å
30T62.9Low72.3Confident116 Ų11662.1 Ų62.171%0.71234%0.342SS*.G310 helixtrans-61.2-23.317255.40000112.4S28 L32S28-T30 WeakPolarHBondContact CB-OG1 3.33Å; S28-T30 PolarHBondContact O-N 3.29Å; S28-T30 VanDerWaalsContact O-N 3.11Å; S28-T30 PolarHBondContact OG-N 3.47Å; S28-T30 PolarHBondContact OG-OG1 3.27Å; T30-L32 VanDerWaalsContact C-N 3.34Å
31G71Confident73.9Confident6 Ų653.2 Ų53.26%0.06231%0.309CS..G310 helixtrans-83.11.317600000115.2S28 C29 L33 I190 H191S28-G31 WeakPolarHBondContact O-CA 3.38Å; S28-G31 PolarHBondContact O-N 3.47Å; C29-G31 PolarHBondContact O-N 3.44Å; G31-L33 VanDerWaalsContact C-N 3.26Å; G31-L33 PolarHBondContact O-N 3.34Å; G31-I190 WeakPolarHBondContact O-CG2 3.49Å; G31-H191 PolarHBondContact O-NE2 2.92Å
32L79.3Confident75.6Confident56 Ų5649.4 Ų49.429%0.29329%0.291SS..G310 helixtrans-62.7-36.4172.5-77168.6000111.6C29 T30 I190 I193 Y194C29-L32 HydrophobicContact CB-CD1 4.38Å; C29-L32 WeakPolarHBondContact O-CB 3.18Å; C29-L32 WeakPolarHBondContact O-CG 3.47Å; C29-L32 PolarHBondContact O-N 3.39Å; C29-L32 VanDerWaalsContact O-N 3.09Å; T30-L32 VanDerWaalsContact C-N 3.34Å; L32-I190 HydrophobicContact CD2-CD1 3.89Å; L32-I190 HydrophobicContact CD2-CG1 3.69Å; L32-I190 HydrophobicContact CG-CD1 3.71Å; L32-I190 HydrophobicContact CG-CG1 4.09Å; L32-I193 HydrophobicContact CD2-CD1 3.47Å; L32-I193 VanDerWaalsContact CD2-CD1 3.47Å; L32-I193 HydrophobicContact CD2-CG1 3.99Å; L32-Y194 PolarHBondContact O-OH 3.32Å
33L84.4Confident77.1Confident103 Ų10348.9 Ų48.954%0.53929%0.289SS..SBendtrans-76.2150.2175.5-62.6177.9000110.4G31 H35G31-L33 VanDerWaalsContact C-N 3.26Å; G31-L33 PolarHBondContact O-N 3.34Å; L33-H35 WeakPolarHBondContact CB-ND1 3.4Å; L33-H35 PolarHBondContact O-N 3.37Å
34F87.4Confident78.6Confident25 Ų2548.1 Ų48.111%0.1128%0.283CS..  trans-77.741.6-179.9-68.9-82.1000112.9Y127 Q128 W131 F132 H191 Y194F34-Y127 WeakPolarHBondContact O-CE2 3.44Å; F34-Q128 HydrophobicContact CB-CB 3.63Å; F34-Q128 HydrophobicContact CB-CG 3.82Å; F34-Q128 WeakPolarHBondContact O-CG 3.48Å; F34-W131 VanDerWaalsContact C-CZ3 3.42Å; F34-W131 HydrophobicContact CB-CE3 3.73Å; F34-W131 HydrophobicContact CB-CZ3 4.19Å; F34-W131 HydrophobicContact CD1-CB 3.87Å; F34-W131 AromaticContact CD1-CD2 3.55Å; F34-W131 HydrophobicContact CD1-CD2 3.55Å; F34-W131 AromaticContact CD1-CE3 3.54Å; F34-W131 HydrophobicContact CD1-CE3 3.54Å; F34-W131 AromaticContact CD1-CG 3.75Å; F34-W131 HydrophobicContact CD1-CG 3.75Å; F34-W131 HydrophobicContact CD1-CZ3 4.3Å; F34-W131 HydrophobicContact CE1-CB 4.46Å; F34-W131 HydrophobicContact CE1-CD2 4.25Å; F34-W131 HydrophobicContact CE1-CG 4.23Å; F34-W131 HydrophobicContact CG-CE3 4.14Å; F34-F132 HydrophobicContact CD1-CB 4.24Å; F34-F132 HydrophobicContact CD2-CB 4.24Å; F34-F132 HydrophobicContact CE1-CB 3.77Å; F34-F132 HydrophobicContact CE2-CB 3.75Å; F34-F132 AromaticContact CE2-CD2 3.73Å; F34-F132 HydrophobicContact CE2-CD2 3.73Å; F34-F132 HydrophobicContact CE2-CG 4.16Å; F34-F132 HydrophobicContact CG-CB 4.48Å; F34-F132 HydrophobicContact CZ-CB 3.52Å; F34-F132 AromaticContact CZ-CD2 3.55Å; F34-F132 HydrophobicContact CZ-CD2 3.55Å; F34-F132 HydrophobicContact CZ-CG 4.02Å; F34-H191 AromaticContact CD1-CE1 3.86Å; F34-H191 AromaticContact CE1-CE1 3.53Å; F34-H191 AromaticContact CE1-ND1 3.83Å; F34-H191 AromaticContact CE1-NE2 3.81Å; F34-Y194 HydrophobicContact CE1-CE2 4.47Å; F34-Y194 HydrophobicContact CE2-CD2 4.29Å; F34-Y194 AromaticContact CE2-CE2 3.52Å; F34-Y194 HydrophobicContact CE2-CE2 3.52Å; F34-Y194 AromaticContact CE2-CZ 3.65Å; F34-Y194 AromaticContact CZ-CD2 3.76Å; F34-Y194 HydrophobicContact CZ-CD2 3.76Å; F34-Y194 AromaticContact CZ-CE2 3.32Å; F34-Y194 HydrophobicContact CZ-CE2 3.32Å; F34-Y194 AromaticContact CZ-CZ 3.97Å
35H85.6Confident80.2Confident118 Ų11844.6 Ų44.655%0.54626%0.261SS..  trans-86.2123.9172.1-64.2113.9000110.3L33 R188L33-H35 WeakPolarHBondContact CB-ND1 3.4Å; L33-H35 PolarHBondContact O-N 3.37Å; H35-R188 PolarHBondContact O-NH1 3.04Å; H35-R188 PolarHBondContact O-NH2 3.35Å
36H85.2Confident81.7Confident15 Ų1541.2 Ų41.27%0.06924%0.241CC..  trans-127.7128.4176.4-167.149000109.7R38 D41 F42 Y127 W131H36-R38 VanDerWaalsContact CD2-C 3.48Å; H36-R38 PolarHBondContact CD2-O 3.09Å; H36-R38 PolarHBondContact NE2-O 3.02Å; H36-R38 PolarHBondContact O-N 3.26Å; H36-R38 VanDerWaalsContact O-N 3.14Å; H36-D41 IonicContact NE2-OD2 3.48Å; H36-F42 HydrophobicContact CB-CE2 4.06Å; H36-F42 AromaticContact CD2-CE2 3.59Å; H36-Y127 HydrophobicContact CB-CE2 3.68Å; H36-Y127 PolarHBondContact N-OH 2.95Å; H36-Y127 PolarHBondContact O-OH 3.29Å; H36-W131 HydrophobicContact CB-CE3 4.43Å; H36-W131 HydrophobicContact CB-CH2 4.07Å; H36-W131 HydrophobicContact CB-CZ3 3.73Å
37A81Confident82.9Confident80 Ų8043.2 Ų43.266%0.66125%0.248SC*.SBendtrans-62.3-21.2-179.900000112.9P39A37-P39 WeakPolarHBondContact O-CD 3.44Å
38R85Confident84Confident4 Ų444.4 Ų44.42%0.01525%0.252CS..  trans-127.775.3-171.7-69.6-174.955.8-151.8-9.8113.7H36 Q40 D41 R270 E277H36-R38 VanDerWaalsContact CD2-C 3.48Å; H36-R38 PolarHBondContact CD2-O 3.09Å; H36-R38 PolarHBondContact NE2-O 3.02Å; H36-R38 PolarHBondContact O-N 3.26Å; H36-R38 VanDerWaalsContact O-N 3.14Å; R38-Q40 PolarHBondContact O-N 3.08Å; R38-Q40 PolarHBondContact O-OE1 2.95Å; R38-D41 IonicContact CZ-OD1 3.63Å; R38-D41 IonicContact CZ-OD2 3.42Å; R38-D41 VanDerWaalsContact CZ-OD2 3.29Å; R38-D41 IonicContact NE-OD1 2.79Å; R38-D41 IonicContact NE-OD2 3.88Å; R38-D41 IonicContact NH1-OD2 2.67Å; R38-D41 IonicContact NH2-OD1 3.62Å; R38-D41 PolarHBondContact NH2-OD1 2.97Å; R38-D41 IonicContact NH2-OD2 2.71Å; R38-D41 PolarHBondContact NH2-OD2 3.43Å; R38-D41 WeakPolarHBondContact O-CB 3.12Å; R38-D41 PolarHBondContact O-N 3.47Å; R38-R270 PolarHBondContact NH1-O 2.89Å; R38-E277 VanDerWaalsContact CD-OE1 3.3Å; R38-E277 WeakPolarHBondContact CD-OE1 3.46Å; R38-E277 WeakPolarHBondContact CD-OE2 3.38Å
39P89.4Confident84.9Confident8 Ų847.9 Ų47.95%0.05228%0.275CS..G310 helixtrans-55.7-25.4-179-25.736.9000114.5A37 D41 F42 E123 P124 Y127A37-P39 WeakPolarHBondContact O-CD 3.44Å; P39-D41 PolarHBondContact O-N 3.46Å; P39-D41 VanDerWaalsContact O-N 3.15Å; P39-F42 PolarHBondContact O-N 3.09Å; P39-E123 HydrophobicContact CB-CG 4.33Å; P39-E123 HydrophobicContact CG-CG 4.34Å; P39-E123 WeakPolarHBondContact CG-OE1 3.36Å; P39-P124 HydrophobicContact CB-CB 4.14Å; P39-P124 WeakPolarHBondContact CB-O 3.29Å; P39-Y127 HydrophobicContact CB-CD1 3.72Å; P39-Y127 HydrophobicContact CB-CE1 3.55Å; P39-Y127 HydrophobicContact CG-CD1 4.23Å; P39-Y127 HydrophobicContact CG-CE1 3.53Å
40Q90.5Very high86.3Confident53 Ų5345.5 Ų45.525%0.24825%0.254CS..G310 helixtrans-58-22174.170.5-83.925.100114.7R38 F42 V43 K44R38-Q40 PolarHBondContact O-N 3.08Å; R38-Q40 PolarHBondContact O-OE1 2.95Å; Q40-F42 PolarHBondContact O-N 2.76Å; Q40-V43 WeakPolarHBondContact O-CG2 3.28Å; Q40-V43 PolarHBondContact O-N 2.9Å; Q40-K44 HydrophobicContact CB-CD 4.34Å; Q40-K44 VanDerWaalsContact O-CG 3.29Å; Q40-K44 WeakPolarHBondContact O-CG 3.4Å; Q40-K44 PolarHBondContact O-N 2.83Å
41D91.3Very high87.6Confident2 Ų246 Ų461%0.01125%0.246CC..G310 helixtrans-73.1-17.6-178.8-72.1-7.6000112.3H36 R38 P39 V43 A184H36-D41 IonicContact NE2-OD2 3.48Å; R38-D41 IonicContact CZ-OD1 3.63Å; R38-D41 IonicContact CZ-OD2 3.42Å; R38-D41 VanDerWaalsContact CZ-OD2 3.29Å; R38-D41 IonicContact NE-OD1 2.79Å; R38-D41 IonicContact NE-OD2 3.88Å; R38-D41 IonicContact NH1-OD2 2.67Å; R38-D41 IonicContact NH2-OD1 3.62Å; R38-D41 PolarHBondContact NH2-OD1 2.97Å; R38-D41 IonicContact NH2-OD2 2.71Å; R38-D41 PolarHBondContact NH2-OD2 3.43Å; R38-D41 WeakPolarHBondContact O-CB 3.12Å; R38-D41 PolarHBondContact O-N 3.47Å; P39-D41 PolarHBondContact O-N 3.46Å; P39-D41 VanDerWaalsContact O-N 3.15Å; D41-V43 VanDerWaalsContact C-N 3.29Å; D41-V43 PolarHBondContact O-N 3.05Å; D41-A184 HydrophobicContact CB-CB 3.71Å; D41-A184 WeakPolarHBondContact O-CB 3.49Å
42F94.3Very high88.5Confident0 Ų048.2 Ų48.20%026%0.259CS..G310 helixtrans-75.6-15.7175-71.1-86.4000114.2H36 P39 Q40 Y111 Y127 W131 I185 P186H36-F42 HydrophobicContact CB-CE2 4.06Å; H36-F42 AromaticContact CD2-CE2 3.59Å; P39-F42 PolarHBondContact O-N 3.09Å; Q40-F42 PolarHBondContact O-N 2.76Å; F42-Y111 HydrophobicContact CB-CD1 4.29Å; F42-Y111 HydrophobicContact CB-CE1 3.85Å; F42-Y127 HydrophobicContact CD2-CD1 4.41Å; F42-Y127 AromaticContact CD2-CD2 3.66Å; F42-Y127 HydrophobicContact CD2-CD2 3.66Å; F42-Y127 HydrophobicContact CD2-CE2 4.37Å; F42-Y127 AromaticContact CD2-CG 3.68Å; F42-Y127 HydrophobicContact CD2-CG 3.68Å; F42-Y127 HydrophobicContact CE1-CD2 4.18Å; F42-Y127 AromaticContact CE2-CD2 3.22Å; F42-Y127 HydrophobicContact CE2-CD2 3.22Å; F42-Y127 AromaticContact CE2-CE2 3.67Å; F42-Y127 HydrophobicContact CE2-CE2 3.67Å; F42-Y127 AromaticContact CE2-CG 3.77Å; F42-Y127 HydrophobicContact CE2-CG 3.77Å; F42-Y127 HydrophobicContact CG-CD2 4.3Å; F42-Y127 HydrophobicContact CG-CG 4.15Å; F42-Y127 AromaticContact CZ-CD2 3.54Å; F42-Y127 HydrophobicContact CZ-CD2 3.54Å; F42-Y127 HydrophobicContact CZ-CE2 4.13Å; F42-Y127 HydrophobicContact CZ-CG 4.32Å; F42-W131 HydrophobicContact CD1-CB 4.5Å; F42-W131 HydrophobicContact CE1-CB 3.42Å; F42-W131 VanDerWaalsContact CE1-CB 3.42Å; F42-W131 AromaticContact CE1-CD1 3.75Å; F42-W131 HydrophobicContact CE1-CD2 4.06Å; F42-W131 AromaticContact CE1-CG 3.48Å; F42-W131 HydrophobicContact CE1-CG 3.48Å; F42-W131 VanDerWaalsContact CE1-CG 3.48Å; F42-W131 HydrophobicContact CZ-CB 3.74Å; F42-W131 AromaticContact CZ-CD1 3.94Å; F42-W131 AromaticContact CZ-CD2 3.53Å; F42-W131 HydrophobicContact CZ-CD2 3.53Å; F42-W131 AromaticContact CZ-CE3 3.78Å; F42-W131 HydrophobicContact CZ-CE3 3.78Å; F42-W131 AromaticContact CZ-CG 3.49Å; F42-W131 HydrophobicContact CZ-CG 3.49Å; F42-W131 VanDerWaalsContact CZ-CG 3.49Å; F42-I185 HydrophobicContact CD1-CD1 4.19Å; F42-I185 HydrophobicContact CD1-CG1 3.94Å; F42-I185 HydrophobicContact CD1-CG2 4.19Å; F42-I185 HydrophobicContact CE1-CG1 4.32Å; F42-I185 HydrophobicContact CE1-CG2 3.71Å; F42-I185 HydrophobicContact CZ-CG2 4.43Å; F42-P186 HydrophobicContact CZ-CG 4.45Å
43V94.5Very high89.1Confident3 Ų351 Ų512%0.01827%0.269CS..G310 helixtrans-1164-178.6-58.70000112.6Q40 D41 F55 Y111 Y115 N116 P124Q40-V43 WeakPolarHBondContact O-CG2 3.28Å; Q40-V43 PolarHBondContact O-N 2.9Å; D41-V43 VanDerWaalsContact C-N 3.29Å; D41-V43 PolarHBondContact O-N 3.05Å; V43-F55 WeakPolarHBondContact O-CD1 3.3Å; V43-Y111 HydrophobicContact CG1-CD1 3.27Å; V43-Y111 HydrophobicContact CG1-CE1 3.44Å; V43-Y111 VanDerWaalsContact CG1-CE1 3.44Å; V43-Y111 HydrophobicContact CG1-CG 4.31Å; V43-Y115 HydrophobicContact CG1-CD2 4.22Å; V43-Y115 HydrophobicContact CG1-CG 4.34Å; V43-N116 PolarHBondContact O-ND2 2.93Å; V43-P124 HydrophobicContact CG1-CB 4.41Å; V43-P124 HydrophobicContact CG1-CG 4.14Å; V43-P124 HydrophobicContact CG2-CG 3.83Å
44K92.4Very high89.5Confident57 Ų5751.4 Ų51.425%0.24826%0.264CS..SBendtrans-128.6154.4-172.9-62.2-179.2-170.2175.90112.2Q40 F55 A184Q40-K44 HydrophobicContact CB-CD 4.34Å; Q40-K44 VanDerWaalsContact O-CG 3.29Å; Q40-K44 WeakPolarHBondContact O-CG 3.4Å; Q40-K44 PolarHBondContact O-N 2.83Å; K44-F55 VanDerWaalsContact C-CE1 3.44Å; K44-A184 WeakPolarHBondContact O-CB 3.2Å; K44-A184 PolarHBondContact O-N 3.15Å; K44-A184 VanDerWaalsContact O-N 3.08Å
45S94.1Very high89.9Confident1 Ų150.2 Ų50.21%0.00726%0.259CS..BIsolated β-bridgetrans-75.8150.6166.6179.20000110.7W47 L182 R270S45-W47 PolarHBondContact O-N 2.92Å; S45-W47 PolarHBondContact OG-N 2.71Å; S45-W47 VanDerWaalsContact OG-N 3.15Å; S45-L182 WeakPolarHBondContact CA-O 3.26Å; S45-L182 WeakPolarHBondContact CB-O 3.34Å; S45-L182 PolarHBondContact OG-O 3.39Å; S45-R270 WeakPolarHBondContact O-CD 3.45Å; S45-R270 PolarHBondContact O-NE 3.32Å
46Q91.7Very high90.4Very high1 Ų145 Ų451%0.00524%0.235CC..SBendtrans-60-29.7169.4-172.370.847.300112.1L182 R260 S264 R270Q46-L182 PolarHBondContact N-O 3.3Å; Q46-R260 HydrophobicContact CB-CG 4.49Å; Q46-R260 HydrophobicContact CG-CG 3.99Å; Q46-S264 WeakPolarHBondContact CG-OG 3.2Å; Q46-S264 PolarHBondContact NE2-OG 2.88Å; Q46-S264 PolarHBondContact O-OG 3.02Å; Q46-R270 PolarHBondContact O-N 2.68Å
47W91.8Very high90.9Very high56 Ų5649.9 Ų49.921%0.21226%0.259CS..SBendtrans-93.3121.7-173.7-47.4105.6000110.7S45 C49 F50 C181 R260 I263 L267S45-W47 PolarHBondContact O-N 2.92Å; S45-W47 PolarHBondContact OG-N 2.71Å; S45-W47 VanDerWaalsContact OG-N 3.15Å; W47-C49 PolarHBondContact O-N 3.32Å; W47-F50 PolarHBondContact O-N 3.29Å; W47-C181 PolarHBondContact NE1-O 3.35Å; W47-R260 HydrophobicContact CZ2-CG 4.29Å; W47-I263 HydrophobicContact CH2-CB 4.2Å; W47-I263 HydrophobicContact CH2-CG2 3.69Å; W47-I263 HydrophobicContact CZ3-CG2 4Å; W47-L267 HydrophobicContact CZ3-CD1 4.03Å
48V85.8Confident91.7Very high87 Ų8748.3 Ų48.353%0.52724%0.237SC..THydrogen-bonded Turntrans-64.1-31.1-175.81750000112.1F50 R270V48-F50 PolarHBondContact O-N 3.28Å; V48-R270 HydrophobicContact CG2-CG 4.13Å
49C86Confident92.4Very high115 Ų11548.1 Ų48.178%0.77724%0.236SC*.THydrogen-bonded Turntrans-60.9-24.3174.359.80000112.7W47 K51W47-C49 PolarHBondContact O-N 3.32Å; C49-K51 PolarHBondContact O-N 3.24Å; C49-K51 VanDerWaalsContact O-N 3.16Å
50F89Confident92.8Very high49 Ų4949.8 Ų49.822%0.21525%0.251CS..SBendtrans-88.488.6-179.4-156.1-162.1000110.7W47 V48 F55 Y58W47-F50 PolarHBondContact O-N 3.29Å; V48-F50 PolarHBondContact O-N 3.28Å; F50-F55 HydrophobicContact CD1-CB 4.07Å; F50-F55 AromaticContact CD1-CD2 3.69Å; F50-F55 HydrophobicContact CD1-CD2 3.69Å; F50-F55 HydrophobicContact CD1-CG 4.36Å; F50-F55 HydrophobicContact CE1-CB 4.11Å; F50-F55 AromaticContact CE1-CD2 3.57Å; F50-F55 HydrophobicContact CE1-CD2 3.57Å; F50-F55 HydrophobicContact CE1-CG 4.34Å; F50-F55 HydrophobicContact CG-CB 4.4Å; F50-F55 HydrophobicContact CZ-CB 4.48Å; F50-Y58 HydrophobicContact CE1-CD1 4.46Å; F50-Y58 HydrophobicContact CE1-CG 4.38Å; F50-Y58 HydrophobicContact CZ-CG 4.38Å
51K90.3Very high93.2Very high128 Ų12851 Ų5156%0.55727%0.265SS*.  trans-58.1148.8-178.4-60.6-173.2178.4-178.20111.3C49 K53 Y54 F55C49-K51 PolarHBondContact O-N 3.24Å; C49-K51 VanDerWaalsContact O-N 3.16Å; K51-K53 VanDerWaalsContact C-N 3.26Å; K51-K53 HydrophobicContact CB-CG 4.45Å; K51-K53 PolarHBondContact O-N 2.87Å; K51-K53 VanDerWaalsContact O-N 3.09Å; K51-Y54 HydrophobicContact CB-CD2 3.91Å; K51-Y54 HydrophobicContact CB-CE2 4.39Å; K51-Y54 HydrophobicContact CD-CE2 4.4Å; K51-Y54 HydrophobicContact CG-CD2 4.47Å; K51-Y54 PolarHBondContact O-N 3.42Å; K51-F55 PolarHBondContact O-N 3.17Å; K51-F55 VanDerWaalsContact O-N 3.08Å
52P90.1Very high93.5Very high51 Ų5151.6 Ų51.633%0.33127%0.268SS..Hα-helixtrans-51.8-38.7-176.2-29.635.7000114.9Y54 F55 T56 N116P52-Y54 PolarHBondContact O-N 3.47Å; P52-F55 PolarHBondContact O-N 3.2Å; P52-T56 WeakPolarHBondContact O-CB 3.28Å; P52-T56 PolarHBondContact O-N 3.18Å; P52-T56 PolarHBondContact O-OG1 2.95Å; P52-N116 HydrophobicContact CB-CB 4.03Å
53K90.9Very high93.7Very high116 Ų11652 Ų5250%0.50427%0.271SS..Hα-helixtrans-59.3-45.4176.766.3175.8-175167.80112.8K51 T56 M57K51-K53 VanDerWaalsContact C-N 3.26Å; K51-K53 HydrophobicContact CB-CG 4.45Å; K51-K53 PolarHBondContact O-N 2.87Å; K51-K53 VanDerWaalsContact O-N 3.09Å; K53-T56 PolarHBondContact O-N 3.43Å; K53-M57 WeakPolarHBondContact O-CG 3.37Å; K53-M57 PolarHBondContact O-N 3.49Å
54Y93.8Very high93.9Very high110 Ų11055.9 Ų55.943%0.43130%0.295SS..Hα-helixtrans-75.2-35.8-177.7-59.6-60.5000111.3K51 P52 T56 M57 Y58K51-Y54 HydrophobicContact CB-CD2 3.91Å; K51-Y54 HydrophobicContact CB-CE2 4.39Å; K51-Y54 HydrophobicContact CD-CE2 4.4Å; K51-Y54 HydrophobicContact CG-CD2 4.47Å; K51-Y54 PolarHBondContact O-N 3.42Å; P52-Y54 PolarHBondContact O-N 3.47Å; Y54-T56 VanDerWaalsContact C-N 3.3Å; Y54-T56 PolarHBondContact O-N 3.45Å; Y54-M57 HydrophobicContact CD1-SD 4.12Å; Y54-M57 PolarHBondContact O-N 3.05Å; Y54-Y58 PolarHBondContact O-N 3.39Å
55F95.2Very high94.2Very high0 Ų057.5 Ų57.50%031%0.306CS..Hα-helixtrans-62.7-38.8172-175.1-111.7000111.9V43 K44 F50 K51 P52 Y58 R59 C183V43-F55 WeakPolarHBondContact O-CD1 3.3Å; K44-F55 VanDerWaalsContact C-CE1 3.44Å; F50-F55 HydrophobicContact CD1-CB 4.07Å; F50-F55 AromaticContact CD1-CD2 3.69Å; F50-F55 HydrophobicContact CD1-CD2 3.69Å; F50-F55 HydrophobicContact CD1-CG 4.36Å; F50-F55 HydrophobicContact CE1-CB 4.11Å; F50-F55 AromaticContact CE1-CD2 3.57Å; F50-F55 HydrophobicContact CE1-CD2 3.57Å; F50-F55 HydrophobicContact CE1-CG 4.34Å; F50-F55 HydrophobicContact CG-CB 4.4Å; F50-F55 HydrophobicContact CZ-CB 4.48Å; K51-F55 PolarHBondContact O-N 3.17Å; K51-F55 VanDerWaalsContact O-N 3.08Å; P52-F55 PolarHBondContact O-N 3.2Å; F55-Y58 HydrophobicContact CD2-CD1 4Å; F55-Y58 AromaticContact CE2-CD1 3.98Å; F55-Y58 HydrophobicContact CE2-CD1 3.98Å; F55-Y58 HydrophobicContact CE2-CE1 4.16Å; F55-Y58 WeakPolarHBondContact O-CB 3.31Å; F55-Y58 PolarHBondContact O-N 2.72Å; F55-R59 HydrophobicContact CD1-CG 4.43Å; F55-R59 HydrophobicContact CE1-CG 4.14Å; F55-R59 HydrophobicContact CZ-CG 4.3Å; F55-R59 VanDerWaalsContact CZ-NE 3.31Å; F55-R59 WeakPolarHBondContact O-CG 3.2Å; F55-R59 PolarHBondContact O-N 3.25Å; F55-C183 HydrophobicContact CE2-CB 4.15Å; F55-C183 HydrophobicContact CZ-CB 3.8Å
56T96.4Very high94.5Very high8 Ų857.5 Ų57.55%0.04931%0.306CS..Hα-helixtrans-65.7-41.8175.5-550000111.5P52 K53 Y54 Y58 R59 A60 C112 N116 I117P52-T56 WeakPolarHBondContact O-CB 3.28Å; P52-T56 PolarHBondContact O-N 3.18Å; P52-T56 PolarHBondContact O-OG1 2.95Å; K53-T56 PolarHBondContact O-N 3.43Å; Y54-T56 VanDerWaalsContact C-N 3.3Å; Y54-T56 PolarHBondContact O-N 3.45Å; T56-Y58 VanDerWaalsContact C-N 3.33Å; T56-Y58 PolarHBondContact O-N 3.27Å; T56-R59 PolarHBondContact O-N 3.2Å; T56-A60 WeakPolarHBondContact O-CB 3.41Å; T56-A60 PolarHBondContact O-N 2.89Å; T56-C112 HydrophobicContact CG2-CB 3.92Å; T56-N116 WeakPolarHBondContact OG1-CB 3.17Å; T56-N116 PolarHBondContact OG1-ND2 3.25Å; T56-I117 HydrophobicContact CG2-CD1 3.93Å
57M96.3Very high94.8Very high118 Ų11861 Ų6158%0.58133%0.325SS*.Hα-helixtrans-60.3-41.9173-69.2172.167.900112.1K53 Y54 A60 S61K53-M57 WeakPolarHBondContact O-CG 3.37Å; K53-M57 PolarHBondContact O-N 3.49Å; Y54-M57 HydrophobicContact CD1-SD 4.12Å; Y54-M57 PolarHBondContact O-N 3.05Å; M57-A60 PolarHBondContact O-N 3.43Å; M57-S61 WeakPolarHBondContact O-CB 3.2Å; M57-S61 PolarHBondContact O-N 2.97Å; M57-S61 PolarHBondContact O-OG 3.16Å
58Y97.7Very high95.1Very high47 Ų4762.9 Ų62.918%0.18434%0.342CS..Hα-helixtrans-58.9-50173.6157.5-102.1000111.7F50 Y54 F55 T56 A60 S61 L62 D179 L182F50-Y58 HydrophobicContact CE1-CD1 4.46Å; F50-Y58 HydrophobicContact CE1-CG 4.38Å; F50-Y58 HydrophobicContact CZ-CG 4.38Å; Y54-Y58 PolarHBondContact O-N 3.39Å; F55-Y58 HydrophobicContact CD2-CD1 4Å; F55-Y58 AromaticContact CE2-CD1 3.98Å; F55-Y58 HydrophobicContact CE2-CD1 3.98Å; F55-Y58 HydrophobicContact CE2-CE1 4.16Å; F55-Y58 WeakPolarHBondContact O-CB 3.31Å; F55-Y58 PolarHBondContact O-N 2.72Å; T56-Y58 VanDerWaalsContact C-N 3.33Å; T56-Y58 PolarHBondContact O-N 3.27Å; Y58-A60 PolarHBondContact O-N 3.44Å; Y58-S61 PolarHBondContact O-N 3.21Å; Y58-L62 HydrophobicContact CE2-CD2 4.37Å; Y58-L62 WeakPolarHBondContact O-CB 3.43Å; Y58-L62 PolarHBondContact O-N 3.27Å; Y58-D179 VanDerWaalsContact CE1-OD1 3.3Å; Y58-D179 WeakPolarHBondContact CE1-OD1 3.29Å; Y58-D179 PolarHBondContact OH-OD1 3.21Å; Y58-L182 HydrophobicContact CE1-CD1 4.44Å; Y58-L182 HydrophobicContact CE2-CD1 3.99Å
59R98.1Very high95.8Very high1 Ų160.6 Ų60.60%0.00432%0.324CS..Hα-helixtrans-58.7-45.5178.2-70-63.9-164.1-177.46.5111.9F55 T56 L62 A63 A109 D179F55-R59 HydrophobicContact CD1-CG 4.43Å; F55-R59 HydrophobicContact CE1-CG 4.14Å; F55-R59 HydrophobicContact CZ-CG 4.3Å; F55-R59 VanDerWaalsContact CZ-NE 3.31Å; F55-R59 WeakPolarHBondContact O-CG 3.2Å; F55-R59 PolarHBondContact O-N 3.25Å; T56-R59 PolarHBondContact O-N 3.2Å; R59-L62 PolarHBondContact O-N 3.16Å; R59-A63 VanDerWaalsContact O-CB 3.3Å; R59-A63 WeakPolarHBondContact O-CB 3.44Å; R59-A63 PolarHBondContact O-N 3.12Å; R59-A109 HydrophobicContact CB-CB 4.19Å; R59-D179 IonicContact CZ-OD1 2.91Å; R59-D179 IonicContact CZ-OD2 3.99Å; R59-D179 IonicContact NH1-OD1 3.38Å; R59-D179 PolarHBondContact NH1-OD1 3.42Å; R59-D179 IonicContact NH1-OD2 3.65Å; R59-D179 PolarHBondContact NH1-OD2 3.3Å; R59-D179 IonicContact NH2-OD2 2.76Å
60A98.5Very high96.3Very high43 Ų4355.7 Ų55.736%0.35529%0.29SS..Hα-helixtrans-63.7-40.8177.800000112.5T56 M57 Y58 T64T56-A60 WeakPolarHBondContact O-CB 3.41Å; T56-A60 PolarHBondContact O-N 2.89Å; M57-A60 PolarHBondContact O-N 3.43Å; Y58-A60 PolarHBondContact O-N 3.44Å; A60-T64 WeakPolarHBondContact O-CB 3.36Å; A60-T64 PolarHBondContact O-N 3.12Å; A60-T64 PolarHBondContact O-OG1 3.34Å
61S98.5Very high96.8Very high78 Ų7858.1 Ų58.155%0.54530%0.304SS..Hα-helixtrans-65.2-46.5177.7-56.20000111.3M57 Y58 T64 L65M57-S61 WeakPolarHBondContact O-CB 3.2Å; M57-S61 PolarHBondContact O-N 2.97Å; M57-S61 PolarHBondContact O-OG 3.16Å; Y58-S61 PolarHBondContact O-N 3.21Å; S61-T64 PolarHBondContact O-N 2.72Å; S61-L65 WeakPolarHBondContact O-CB 3.32Å; S61-L65 PolarHBondContact O-N 3.27Å
62L98.7Very high97.2Very high14 Ų1457.8 Ų57.87%0.07330%0.3CS..Hα-helixtrans-63.5-44.1177.6179.559.1000111.8Y58 R59 T64 L65 L66 L175Y58-L62 HydrophobicContact CE2-CD2 4.37Å; Y58-L62 WeakPolarHBondContact O-CB 3.43Å; Y58-L62 PolarHBondContact O-N 3.27Å; R59-L62 PolarHBondContact O-N 3.16Å; L62-T64 VanDerWaalsContact C-N 3.35Å; L62-T64 PolarHBondContact O-N 3.38Å; L62-L65 PolarHBondContact O-N 3.25Å; L62-L66 HydrophobicContact CD1-CD1 4.03Å; L62-L66 HydrophobicContact CD1-CG 4.18Å; L62-L66 HydrophobicContact CG-CD1 4.02Å; L62-L66 WeakPolarHBondContact O-CB 3.41Å; L62-L66 WeakPolarHBondContact O-CG 3.47Å; L62-L66 PolarHBondContact O-N 3.16Å; L62-L175 HydrophobicContact CD1-CD1 4.21Å; L62-L175 HydrophobicContact CD1-CD2 4.16Å
63A98.9Very high97.5Very high8 Ų855.4 Ų55.47%0.06628%0.284CS..Hα-helixtrans-61-42.8176.600000112.2R59 L66 L67 I106 A109R59-A63 VanDerWaalsContact O-CB 3.3Å; R59-A63 WeakPolarHBondContact O-CB 3.44Å; R59-A63 PolarHBondContact O-N 3.12Å; A63-L66 PolarHBondContact O-N 3.29Å; A63-L67 WeakPolarHBondContact O-CB 3.2Å; A63-L67 PolarHBondContact O-N 2.74Å; A63-I106 HydrophobicContact CB-CG1 4.14Å; A63-A109 HydrophobicContact CB-CB 3.78Å
64T98.8Very high97.7Very high86 Ų8652.2 Ų52.253%0.52828%0.275SS..Hα-helixtrans-65.1-44.4177.6-55.40000111.1A60 S61 L62 L66 L67 V68A60-T64 WeakPolarHBondContact O-CB 3.36Å; A60-T64 PolarHBondContact O-N 3.12Å; A60-T64 PolarHBondContact O-OG1 3.34Å; S61-T64 PolarHBondContact O-N 2.72Å; L62-T64 VanDerWaalsContact C-N 3.35Å; L62-T64 PolarHBondContact O-N 3.38Å; T64-L66 PolarHBondContact O-N 3.46Å; T64-L67 PolarHBondContact O-N 2.91Å; T64-V68 WeakPolarHBondContact O-CG2 3.35Å; T64-V68 PolarHBondContact O-N 3.44Å
65L98.6Very high97.8Very high91 Ų9150.8 Ų50.848%0.47628%0.277SS..Hα-helixtrans-59.8-46.8176.8-179.1149.5000111.4S61 L62 V68 W69 L175S61-L65 WeakPolarHBondContact O-CB 3.32Å; S61-L65 PolarHBondContact O-N 3.27Å; L62-L65 PolarHBondContact O-N 3.25Å; L65-V68 PolarHBondContact O-N 3.31Å; L65-W69 HydrophobicContact CD2-CE3 4.19Å; L65-W69 VanDerWaalsContact O-CB 3.26Å; L65-W69 WeakPolarHBondContact O-CB 3.49Å; L65-W69 PolarHBondContact O-N 2.95Å; L65-L175 HydrophobicContact CD2-CD1 4.48Å
66L98.8Very high97.7Very high1 Ų151.5 Ų51.51%0.00528%0.28CS..Hα-helixtrans-65.5-39178.2-71.7169.8000112.1L62 A63 T64 W69 I70 F98 L101 T102 H105 L175L62-L66 HydrophobicContact CD1-CD1 4.03Å; L62-L66 HydrophobicContact CD1-CG 4.18Å; L62-L66 HydrophobicContact CG-CD1 4.02Å; L62-L66 WeakPolarHBondContact O-CB 3.41Å; L62-L66 WeakPolarHBondContact O-CG 3.47Å; L62-L66 PolarHBondContact O-N 3.16Å; A63-L66 PolarHBondContact O-N 3.29Å; T64-L66 PolarHBondContact O-N 3.46Å; L66-W69 HydrophobicContact CD2-CE3 4.33Å; L66-W69 PolarHBondContact O-N 3.27Å; L66-I70 WeakPolarHBondContact O-CG2 3.41Å; L66-I70 PolarHBondContact O-N 2.83Å; L66-F98 HydrophobicContact CD2-CE2 4.06Å; L66-L101 HydrophobicContact CD1-CD2 4.48Å; L66-L101 HydrophobicContact CD1-CG 4.24Å; L66-L101 HydrophobicContact CD2-CD2 3.9Å; L66-L101 HydrophobicContact CD2-CG 4.48Å; L66-T102 HydrophobicContact CB-CG2 4.1Å; L66-H105 HydrophobicContact CD1-CB 3.69Å; L66-H105 VanDerWaalsContact CD1-CD2 3.44Å; L66-H105 WeakPolarHBondContact CD1-CD2 3.41Å; L66-L175 HydrophobicContact CD2-CD1 4.3Å
67L98.8Very high97.6Very high75 Ų7551.4 Ų51.439%0.39328%0.279SS..Hα-helixtrans-63.3-47.3176.7179.560.7000111.8A63 T64 W69 I70 I71 I106A63-L67 WeakPolarHBondContact O-CB 3.2Å; A63-L67 PolarHBondContact O-N 2.74Å; T64-L67 PolarHBondContact O-N 2.91Å; L67-W69 VanDerWaalsContact C-N 3.3Å; L67-W69 PolarHBondContact O-N 3.46Å; L67-I70 WeakPolarHBondContact O-CG2 3.43Å; L67-I71 HydrophobicContact CD1-CD1 3.95Å; L67-I71 HydrophobicContact CD1-CG1 4.4Å; L67-I71 HydrophobicContact CG-CD1 4.06Å; L67-I71 WeakPolarHBondContact O-CD1 3.39Å; L67-I71 VanDerWaalsContact O-CG1 3.24Å; L67-I71 WeakPolarHBondContact O-CG1 3.39Å; L67-I71 PolarHBondContact O-N 3.37Å; L67-I71 VanDerWaalsContact O-N 3.16Å; L67-I106 HydrophobicContact CB-CD1 4.42Å; L67-I106 HydrophobicContact CD1-CD1 4.2Å
68V98.8Very high97.4Very high95 Ų9547.2 Ų47.258%0.57626%0.26SS*.Hα-helixtrans-62.5-42.5176.2172.80000110.3T64 L65 Y72T64-V68 WeakPolarHBondContact O-CG2 3.35Å; T64-V68 PolarHBondContact O-N 3.44Å; L65-V68 PolarHBondContact O-N 3.31Å; V68-Y72 WeakPolarHBondContact O-CB 3.37Å; V68-Y72 PolarHBondContact O-N 3.21Å
69W98.7Very high97.1Very high38 Ų3849.3 Ų49.314%0.14427%0.273CS..Hα-helixtrans-65.2-45.7-179.5-170.44.7000112.2L65 L66 L67 I71 Y72 D73 F98 V167 K168 L171 T172 L175L65-W69 HydrophobicContact CD2-CE3 4.19Å; L65-W69 VanDerWaalsContact O-CB 3.26Å; L65-W69 WeakPolarHBondContact O-CB 3.49Å; L65-W69 PolarHBondContact O-N 2.95Å; L66-W69 HydrophobicContact CD2-CE3 4.33Å; L66-W69 PolarHBondContact O-N 3.27Å; L67-W69 VanDerWaalsContact C-N 3.3Å; L67-W69 PolarHBondContact O-N 3.46Å; W69-I71 PolarHBondContact O-N 2.91Å; W69-Y72 PolarHBondContact O-N 2.92Å; W69-D73 WeakPolarHBondContact O-CB 3.47Å; W69-D73 PolarHBondContact O-N 2.81Å; W69-F98 HydrophobicContact CB-CZ 4.12Å; W69-F98 HydrophobicContact CD2-CE2 4.32Å; W69-F98 AromaticContact CD2-CZ 3.81Å; W69-F98 HydrophobicContact CD2-CZ 3.81Å; W69-F98 HydrophobicContact CE3-CE2 4.3Å; W69-F98 HydrophobicContact CE3-CZ 4.24Å; W69-F98 AromaticContact CG-CZ 3.75Å; W69-F98 HydrophobicContact CG-CZ 3.75Å; W69-V167 HydrophobicContact CH2-CG1 4.35Å; W69-V167 HydrophobicContact CZ2-CG1 3.99Å; W69-K168 HydrophobicContact CZ2-CB 4.18Å; W69-L171 HydrophobicContact CH2-CB 3.81Å; W69-L171 HydrophobicContact CH2-CD2 3.84Å; W69-L171 HydrophobicContact CH2-CG 4.01Å; W69-L171 HydrophobicContact CZ3-CB 4.33Å; W69-L171 HydrophobicContact CZ3-CD2 3.81Å; W69-L171 HydrophobicContact CZ3-CG 4.03Å; W69-T172 HydrophobicContact CH2-CG2 3.72Å; W69-T172 HydrophobicContact CZ3-CG2 3.85Å; W69-L175 HydrophobicContact CZ3-CD1 4.2Å
70I98.5Very high96.6Very high13 Ų1355.8 Ų55.87%0.06730%0.301CS..Hα-helixtrans-66.4-37.3179.9-162168.9000112.3L66 L67 Y72 D73 V74 W89 F98 L99 T102L66-I70 WeakPolarHBondContact O-CG2 3.41Å; L66-I70 PolarHBondContact O-N 2.83Å; L67-I70 WeakPolarHBondContact O-CG2 3.43Å; I70-Y72 VanDerWaalsContact C-N 3.35Å; I70-D73 PolarHBondContact O-N 2.96Å; I70-V74 HydrophobicContact CG1-CG2 4.18Å; I70-V74 WeakPolarHBondContact O-CB 3.3Å; I70-V74 VanDerWaalsContact O-CG2 3.22Å; I70-V74 WeakPolarHBondContact O-CG2 3.47Å; I70-V74 PolarHBondContact O-N 3.02Å; I70-W89 HydrophobicContact CD1-CH2 4.01Å; I70-W89 HydrophobicContact CD1-CZ2 4.33Å; I70-W89 HydrophobicContact CG1-CH2 4.26Å; I70-W89 HydrophobicContact CG1-CZ2 4.12Å; I70-F98 HydrophobicContact CB-CD1 4.32Å; I70-F98 HydrophobicContact CB-CE1 3.76Å; I70-F98 HydrophobicContact CB-CZ 3.98Å; I70-F98 HydrophobicContact CD1-CD1 4.18Å; I70-F98 HydrophobicContact CD1-CE1 4.47Å; I70-F98 HydrophobicContact CD1-CG 4.48Å; I70-F98 HydrophobicContact CG1-CD1 3.86Å; I70-F98 HydrophobicContact CG1-CE1 3.78Å; I70-F98 HydrophobicContact CG1-CZ 4.43Å; I70-L99 HydrophobicContact CD1-CB 4.15Å; I70-L99 HydrophobicContact CD1-CD1 3.85Å; I70-T102 HydrophobicContact CG2-CG2 3.93Å
71I98.4Very high96Very high99 Ų9955.6 Ų55.651%0.50829%0.293SS..Hα-helixtrans-61.3-47.5175.1-68.3167000109.8L67 W69 V75L67-I71 HydrophobicContact CD1-CD1 3.95Å; L67-I71 HydrophobicContact CD1-CG1 4.4Å; L67-I71 HydrophobicContact CG-CD1 4.06Å; L67-I71 WeakPolarHBondContact O-CD1 3.39Å; L67-I71 VanDerWaalsContact O-CG1 3.24Å; L67-I71 WeakPolarHBondContact O-CG1 3.39Å; L67-I71 PolarHBondContact O-N 3.37Å; L67-I71 VanDerWaalsContact O-N 3.16Å; W69-I71 PolarHBondContact O-N 2.91Å; I71-V75 VanDerWaalsContact O-CG2 3.3Å; I71-V75 WeakPolarHBondContact O-CG2 3.5Å; I71-V75 PolarHBondContact O-N 3.38Å; I71-V75 VanDerWaalsContact O-N 3.14Å
72Y97.8Very high95.4Very high122 Ų12252.9 Ų52.948%0.47827%0.272SS..Hα-helixtrans-61.3-44.9176173.9-97.8000112.3V68 W69 I70 V75 R76V68-Y72 WeakPolarHBondContact O-CB 3.37Å; V68-Y72 PolarHBondContact O-N 3.21Å; W69-Y72 PolarHBondContact O-N 2.92Å; I70-Y72 VanDerWaalsContact C-N 3.35Å; Y72-V75 PolarHBondContact O-N 3.38Å; Y72-R76 HydrophobicContact CE1-CB 4.44Å; Y72-R76 WeakPolarHBondContact O-CB 3.38Å; Y72-R76 PolarHBondContact O-N 3.18Å
73D96.8Very high94.8Very high1 Ų158.4 Ų58.41%0.00530%0.301CS..Hα-helixtrans-63.4-48.6-178.9-170.270.6000111.7W69 I70 V75 R76 E77 W89 F98 K168W69-D73 WeakPolarHBondContact O-CB 3.47Å; W69-D73 PolarHBondContact O-N 2.81Å; I70-D73 PolarHBondContact O-N 2.96Å; D73-V75 PolarHBondContact O-N 3.04Å; D73-R76 PolarHBondContact O-N 3.17Å; D73-R76 IonicContact OD1-NH2 3.75Å; D73-E77 WeakPolarHBondContact O-CB 3.14Å; D73-E77 WeakPolarHBondContact O-CG 3.44Å; D73-E77 PolarHBondContact O-N 2.91Å; D73-W89 PolarHBondContact OD2-NE1 3.21Å; D73-W89 VanDerWaalsContact OD2-NE1 3.11Å; D73-F98 HydrophobicContact CB-CE1 3.91Å; D73-K168 IonicContact OD1-NZ 3.31Å; D73-K168 PolarHBondContact OD1-NZ 3.3Å; D73-K168 IonicContact OD2-NZ 2.8Å; D73-K168 PolarHBondContact OD2-NZ 2.99Å
74V96Very high94.1Very high49 Ų4963.8 Ų63.830%0.29733%0.325SS..Hα-helixtrans-57.6-48.9177.5171.30000110.7I70 T78 W89I70-V74 HydrophobicContact CG1-CG2 4.18Å; I70-V74 WeakPolarHBondContact O-CB 3.3Å; I70-V74 VanDerWaalsContact O-CG2 3.22Å; I70-V74 WeakPolarHBondContact O-CG2 3.47Å; I70-V74 PolarHBondContact O-N 3.02Å; V74-T78 WeakPolarHBondContact O-CB 3.46Å; V74-T78 PolarHBondContact O-N 2.8Å; V74-T78 PolarHBondContact O-OG1 3.15Å; V74-W89 HydrophobicContact CG2-CD2 3.78Å; V74-W89 VanDerWaalsContact CG2-CE2 3.45Å; V74-W89 HydrophobicContact CG2-CE3 4.2Å; V74-W89 HydrophobicContact CG2-CG 4.33Å; V74-W89 HydrophobicContact CG2-CH2 4.07Å; V74-W89 HydrophobicContact CG2-CZ2 3.61Å; V74-W89 HydrophobicContact CG2-CZ3 4.33Å
75V95.4Very high93.5Very high80 Ų8061 Ų6149%0.48531%0.309SS..Hα-helixtrans-64.1-48.1-179.61720000110.6I71 Y72 D73 I79I71-V75 VanDerWaalsContact O-CG2 3.3Å; I71-V75 WeakPolarHBondContact O-CG2 3.5Å; I71-V75 PolarHBondContact O-N 3.38Å; I71-V75 VanDerWaalsContact O-N 3.14Å; Y72-V75 PolarHBondContact O-N 3.38Å; D73-V75 PolarHBondContact O-N 3.04Å; V75-I79 HydrophobicContact CG1-CD1 3.78Å; V75-I79 VanDerWaalsContact O-CG1 3.29Å; V75-I79 WeakPolarHBondContact O-CG1 2.85Å; V75-I79 PolarHBondContact O-N 2.98Å; V75-I79 VanDerWaalsContact O-N 3.11Å
76R94.2Very high92.9Very high14 Ų1466.8 Ų66.85%0.05333%0.33CS..Hα-helixtrans-63.8-49.7-177-174.1-82.7-63.1-153.36.6111.7Y72 D73 I79 K80 H81 S162 Q164Y72-R76 HydrophobicContact CE1-CB 4.44Å; Y72-R76 WeakPolarHBondContact O-CB 3.38Å; Y72-R76 PolarHBondContact O-N 3.18Å; D73-R76 PolarHBondContact O-N 3.17Å; D73-R76 IonicContact OD1-NH2 3.75Å; R76-I79 PolarHBondContact O-N 3.45Å; R76-K80 HydrophobicContact CG-CD 4.23Å; R76-K80 WeakPolarHBondContact O-CB 3.47Å; R76-K80 PolarHBondContact O-N 3.48Å; R76-H81 PolarHBondContact NH1-CE1 3.08Å; R76-H81 PolarHBondContact NH1-NE2 3.48Å; R76-S162 PolarHBondContact NH1-OG 3.43Å; R76-Q164 VanDerWaalsContact CZ-CB 3.48Å
77E92.4Very high92.4Very high6 Ų672.4 Ų72.43%0.02835%0.352CS..Hα-helixtrans-69.9-36.2-178-66.1-156.8163.300111.8D73 I79 H81 F82 K168D73-E77 WeakPolarHBondContact O-CB 3.14Å; D73-E77 WeakPolarHBondContact O-CG 3.44Å; D73-E77 PolarHBondContact O-N 2.91Å; E77-I79 VanDerWaalsContact C-N 3.32Å; E77-I79 PolarHBondContact O-N 2.99Å; E77-H81 WeakPolarHBondContact CG-ND1 3.38Å; E77-H81 WeakPolarHBondContact O-CA 3.04Å; E77-H81 WeakPolarHBondContact O-CB 3.37Å; E77-H81 PolarHBondContact O-N 3.33Å; E77-F82 HydrophobicContact CB-CD2 4.06Å; E77-F82 HydrophobicContact CB-CE2 3.74Å; E77-F82 VanDerWaalsContact O-CD2 3.31Å; E77-F82 WeakPolarHBondContact O-CD2 3.33Å; E77-F82 PolarHBondContact O-N 3.37Å; E77-K168 VanDerWaalsContact CD-NZ 3.26Å; E77-K168 IonicContact OE1-NZ 3.5Å; E77-K168 PolarHBondContact OE1-NZ 3.09Å; E77-K168 IonicContact OE2-NZ 3.67Å; E77-K168 PolarHBondContact OE2-NZ 3.01Å
78T92.3Very high91.9Very high31 Ų3169.1 Ų69.119%0.1934%0.336CS..Hα-helixtrans-59.5-43.6174.4-60.70000111.7V74 D83 H84V74-T78 WeakPolarHBondContact O-CB 3.46Å; V74-T78 PolarHBondContact O-N 2.8Å; V74-T78 PolarHBondContact O-OG1 3.15Å; T78-D83 PolarHBondContact O-N 3.2Å; T78-H84 WeakPolarHBondContact O-CA 3.49Å; T78-H84 PolarHBondContact O-N 3.02Å
79I91.5Very high91.6Very high90 Ų9065.6 Ų65.646%0.46231%0.313SS..Hα-helixtrans-74.3-47.6179.8-64.6168.1000111.4V75 R76 E77V75-I79 HydrophobicContact CG1-CD1 3.78Å; V75-I79 VanDerWaalsContact O-CG1 3.29Å; V75-I79 WeakPolarHBondContact O-CG1 2.85Å; V75-I79 PolarHBondContact O-N 2.98Å; V75-I79 VanDerWaalsContact O-N 3.11Å; R76-I79 PolarHBondContact O-N 3.45Å; E77-I79 VanDerWaalsContact C-N 3.32Å; E77-I79 PolarHBondContact O-N 2.99Å
80K88.8Confident91.4Very high137 Ų13767.2 Ų67.260%0.59632%0.323SS*.Hα-helixtrans-87.9-33.6-169-67.1-165.7177.6-172.30114.8R76R76-K80 HydrophobicContact CG-CD 4.23Å; R76-K80 WeakPolarHBondContact O-CB 3.47Å; R76-K80 PolarHBondContact O-N 3.48Å
81H85.1Confident91.2Very high40 Ų4067 Ų6719%0.18532%0.323CS..THydrogen-bonded Turntrans-112.8-32.8-170.9-53143.4000113R76 E77 D158 A159R76-H81 PolarHBondContact NH1-CE1 3.08Å; R76-H81 PolarHBondContact NH1-NE2 3.48Å; E77-H81 WeakPolarHBondContact CG-ND1 3.38Å; E77-H81 WeakPolarHBondContact O-CA 3.04Å; E77-H81 WeakPolarHBondContact O-CB 3.37Å; E77-H81 PolarHBondContact O-N 3.33Å; H81-D158 PolarHBondContact NE2-O 3.49Å; H81-A159 HydrophobicContact CB-CB 4.39Å
82F86.8Confident91Very high21 Ų2162.9 Ų62.99%0.09230%0.301CS..SBendtrans-101.89.4-174.3-57.7-54.7000113.9E77 H84 S85 W89 Y92E77-F82 HydrophobicContact CB-CD2 4.06Å; E77-F82 HydrophobicContact CB-CE2 3.74Å; E77-F82 VanDerWaalsContact O-CD2 3.31Å; E77-F82 WeakPolarHBondContact O-CD2 3.33Å; E77-F82 PolarHBondContact O-N 3.37Å; F82-H84 PolarHBondContact O-N 3.09Å; F82-S85 WeakPolarHBondContact O-CA 3.41Å; F82-S85 WeakPolarHBondContact O-CB 3.42Å; F82-S85 PolarHBondContact O-N 3.21Å; F82-W89 HydrophobicContact CD2-CB 4.04Å; F82-W89 VanDerWaalsContact CE2-CA 3.41Å; F82-W89 HydrophobicContact CE2-CB 3.87Å; F82-W89 HydrophobicContact CE2-CG 4.34Å; F82-Y92 HydrophobicContact CD1-CE2 4.44Å; F82-Y92 AromaticContact CE1-CD2 3.89Å; F82-Y92 HydrophobicContact CE1-CD2 3.89Å; F82-Y92 AromaticContact CE1-CE2 3.3Å; F82-Y92 HydrophobicContact CE1-CE2 3.3Å; F82-Y92 AromaticContact CE1-CZ 3.85Å; F82-Y92 AromaticContact CZ-CD2 3.78Å; F82-Y92 HydrophobicContact CZ-CD2 3.78Å; F82-Y92 AromaticContact CZ-CE2 3.66Å; F82-Y92 HydrophobicContact CZ-CE2 3.66Å; F82-Y92 HydrophobicContact CZ-CG 4.48Å
83D85.4Confident90.9Very high129 Ų12958.4 Ų58.469%0.6929%0.289SS*.THydrogen-bonded Turntrans47.848.4178-168.830.4000112.2T78 S85T78-D83 PolarHBondContact O-N 3.2Å; D83-S85 PolarHBondContact O-N 3.46Å
84H84.9Confident90.9Very high122 Ų12258.8 Ų58.857%0.56529%0.291SS*.THydrogen-bonded Turntrans60.714-176.1-55.4-83.1000115.7T78 F82 K86T78-H84 WeakPolarHBondContact O-CA 3.49Å; T78-H84 PolarHBondContact O-N 3.02Å; F82-H84 PolarHBondContact O-N 3.09Å; H84-K86 PolarHBondContact O-N 3.31Å; H84-K86 VanDerWaalsContact O-N 3.17Å
85S86.1Confident90.9Very high28 Ų2856.5 Ų56.520%0.19628%0.278CS..  trans-60.8119.1172.7175.50000110.7F82 D83 Y87 G88F82-S85 WeakPolarHBondContact O-CA 3.41Å; F82-S85 WeakPolarHBondContact O-CB 3.42Å; F82-S85 PolarHBondContact O-N 3.21Å; D83-S85 PolarHBondContact O-N 3.46Å; S85-Y87 PolarHBondContact O-N 2.95Å; S85-Y87 WeakPolarHBondContact OG-CD1 3.49Å; S85-Y87 WeakPolarHBondContact OG-CE1 3.33Å; S85-G88 PolarHBondContact O-N 3.44Å; S85-G88 PolarHBondContact OG-N 3.31Å
86K84.9Confident91Very high211 Ų21156.1 Ų56.192%0.91727%0.268SS*.THydrogen-bonded Turntrans-64.3-20-179-62.5-178.1-179178.90113.6H84H84-K86 PolarHBondContact O-N 3.31Å; H84-K86 VanDerWaalsContact O-N 3.17Å
87Y87.9Confident91.2Very high120 Ų12055.6 Ų55.647%0.47127%0.267SS..THydrogen-bonded Turntrans-115.3-8.1-176.764.9-92.6000113S85 W89 I90 T91 F209S85-Y87 PolarHBondContact O-N 2.95Å; S85-Y87 WeakPolarHBondContact OG-CD1 3.49Å; S85-Y87 WeakPolarHBondContact OG-CE1 3.33Å; Y87-W89 VanDerWaalsContact C-N 3.35Å; Y87-W89 PolarHBondContact O-N 3.14Å; Y87-I90 VanDerWaalsContact O-CG2 3.31Å; Y87-I90 WeakPolarHBondContact O-CG2 3.47Å; Y87-I90 PolarHBondContact O-N 3.02Å; Y87-T91 HydrophobicContact CD2-CG2 4.04Å; Y87-T91 WeakPolarHBondContact O-CG2 3.04Å; Y87-T91 PolarHBondContact O-N 2.86Å; Y87-F209 HydrophobicContact CE2-CE2 4.25Å; Y87-F209 HydrophobicContact CE2-CZ 4.36Å
88G89.7Confident91.5Very high6 Ų655.3 Ų55.36%0.06227%0.265CS..Hα-helixtrans-59-43-175.300000113.1S85 I90 T91 Y92S85-G88 PolarHBondContact O-N 3.44Å; S85-G88 PolarHBondContact OG-N 3.31Å; G88-I90 VanDerWaalsContact C-N 3.34Å; G88-I90 PolarHBondContact O-N 2.79Å; G88-T91 PolarHBondContact O-N 3.45Å; G88-T91 PolarHBondContact O-OG1 3.09Å; G88-Y92 WeakPolarHBondContact O-CD2 3.36Å
89W93.2Very high91.8Very high20 Ų2056.9 Ų56.98%0.07627%0.272CS..Hα-helixtrans-61.8-41.1179.4-171.991.1000112.5I70 D73 V74 F82 Y87 T91 N95 F98 L99I70-W89 HydrophobicContact CD1-CH2 4.01Å; I70-W89 HydrophobicContact CD1-CZ2 4.33Å; I70-W89 HydrophobicContact CG1-CH2 4.26Å; I70-W89 HydrophobicContact CG1-CZ2 4.12Å; D73-W89 PolarHBondContact OD2-NE1 3.21Å; D73-W89 VanDerWaalsContact OD2-NE1 3.11Å; V74-W89 HydrophobicContact CG2-CD2 3.78Å; V74-W89 VanDerWaalsContact CG2-CE2 3.45Å; V74-W89 HydrophobicContact CG2-CE3 4.2Å; V74-W89 HydrophobicContact CG2-CG 4.33Å; V74-W89 HydrophobicContact CG2-CH2 4.07Å; V74-W89 HydrophobicContact CG2-CZ2 3.61Å; V74-W89 HydrophobicContact CG2-CZ3 4.33Å; F82-W89 HydrophobicContact CD2-CB 4.04Å; F82-W89 VanDerWaalsContact CE2-CA 3.41Å; F82-W89 HydrophobicContact CE2-CB 3.87Å; F82-W89 HydrophobicContact CE2-CG 4.34Å; Y87-W89 VanDerWaalsContact C-N 3.35Å; Y87-W89 PolarHBondContact O-N 3.14Å; W89-T91 VanDerWaalsContact C-N 3.29Å; W89-T91 PolarHBondContact O-N 3.27Å; W89-N95 VanDerWaalsContact CD1-ND2 3.3Å; W89-N95 HydrophobicContact CD2-CB 3.74Å; W89-N95 HydrophobicContact CE3-CB 3.83Å; W89-N95 HydrophobicContact CG-CB 4.48Å; W89-N95 HydrophobicContact CH2-CB 3.64Å; W89-N95 VanDerWaalsContact CH2-O 3.28Å; W89-N95 WeakPolarHBondContact CH2-O 3.16Å; W89-N95 HydrophobicContact CZ2-CB 3.54Å; W89-N95 HydrophobicContact CZ3-CB 3.78Å; W89-N95 PolarHBondContact NE1-ND2 3.33Å; W89-N95 VanDerWaalsContact O-CB 3.27Å; W89-N95 WeakPolarHBondContact O-CB 3.33Å; W89-N95 PolarHBondContact O-ND2 3.33Å; W89-F98 HydrophobicContact CZ2-CD1 4.37Å; W89-L99 HydrophobicContact CH2-CB 4.19Å
90I94Very high92.1Very high72 Ų7254.4 Ų54.437%0.36926%0.259SS..Hα-helixtrans-79.7-7.3-175.1-158.660.1000113.1Y87 G88 Y92 W96 L99Y87-I90 VanDerWaalsContact O-CG2 3.31Å; Y87-I90 WeakPolarHBondContact O-CG2 3.47Å; Y87-I90 PolarHBondContact O-N 3.02Å; G88-I90 VanDerWaalsContact C-N 3.34Å; G88-I90 PolarHBondContact O-N 2.79Å; I90-Y92 VanDerWaalsContact C-N 3.32Å; I90-W96 PolarHBondContact O-NE1 2.95Å; I90-L99 HydrophobicContact CD1-CD2 4.33Å
91T93.8Very high92.6Very high8 Ų847.9 Ų47.95%0.04923%0.231CC..Hα-helixtrans-76.7-20.917563.50000112.7Y87 G88 W89 Y202 F205 F209Y87-T91 HydrophobicContact CD2-CG2 4.04Å; Y87-T91 WeakPolarHBondContact O-CG2 3.04Å; Y87-T91 PolarHBondContact O-N 2.86Å; G88-T91 PolarHBondContact O-N 3.45Å; G88-T91 PolarHBondContact O-OG1 3.09Å; W89-T91 VanDerWaalsContact C-N 3.29Å; W89-T91 PolarHBondContact O-N 3.27Å; T91-Y202 WeakPolarHBondContact O-CE2 3.34Å; T91-Y202 PolarHBondContact O-OH 3.38Å; T91-F205 HydrophobicContact CG2-CZ 4.16Å; T91-F209 HydrophobicContact CG2-CD2 4.4Å; T91-F209 HydrophobicContact CG2-CE2 3.81Å; T91-F209 HydrophobicContact CG2-CZ 4.23Å
92Y94.8Very high93.2Very high13 Ų1346.2 Ų46.25%0.05122%0.224CC..SBendtrans-84.5129.4-175.1-78-112.7000111.9F82 G88 I90 T94 N95 W96 F160 P217 V223 Y224F82-Y92 HydrophobicContact CD1-CE2 4.44Å; F82-Y92 AromaticContact CE1-CD2 3.89Å; F82-Y92 HydrophobicContact CE1-CD2 3.89Å; F82-Y92 AromaticContact CE1-CE2 3.3Å; F82-Y92 HydrophobicContact CE1-CE2 3.3Å; F82-Y92 AromaticContact CE1-CZ 3.85Å; F82-Y92 AromaticContact CZ-CD2 3.78Å; F82-Y92 HydrophobicContact CZ-CD2 3.78Å; F82-Y92 AromaticContact CZ-CE2 3.66Å; F82-Y92 HydrophobicContact CZ-CE2 3.66Å; F82-Y92 HydrophobicContact CZ-CG 4.48Å; G88-Y92 WeakPolarHBondContact O-CD2 3.36Å; I90-Y92 VanDerWaalsContact C-N 3.32Å; Y92-T94 VanDerWaalsContact C-N 3.27Å; Y92-T94 PolarHBondContact O-N 2.82Å; Y92-N95 WeakPolarHBondContact O-CB 3.47Å; Y92-N95 PolarHBondContact O-N 3.25Å; Y92-W96 PolarHBondContact O-N 2.57Å; Y92-F160 HydrophobicContact CD1-CE1 4.44Å; Y92-F160 AromaticContact CE1-CE1 3.91Å; Y92-F160 HydrophobicContact CE1-CE1 3.91Å; Y92-F160 AromaticContact CE1-CZ 3.94Å; Y92-F160 HydrophobicContact CE1-CZ 3.94Å; Y92-P217 WeakPolarHBondContact OH-CG 3.36Å; Y92-V223 HydrophobicContact CD2-CG1 3.99Å; Y92-V223 HydrophobicContact CE2-CG1 4.02Å; Y92-V223 HydrophobicContact CG-CG1 4.29Å; Y92-Y224 HydrophobicContact CD1-CD1 4.47Å; Y92-Y224 AromaticContact CD1-CE1 3.68Å; Y92-Y224 HydrophobicContact CD1-CE1 3.68Å; Y92-Y224 HydrophobicContact CD1-CE2 4.44Å; Y92-Y224 AromaticContact CD1-CZ 3.66Å; Y92-Y224 HydrophobicContact CE1-CD1 4.44Å; Y92-Y224 HydrophobicContact CE1-CE1 4.04Å
93A95.9Very high93.8Very high28 Ų2848.7 Ų48.723%0.23124%0.237CC..Hα-helixtrans-58.4-37.6176.300000113N95 W96 G97 Y202 Y224A93-N95 PolarHBondContact O-N 3.46Å; A93-W96 WeakPolarHBondContact O-CB 3.49Å; A93-W96 PolarHBondContact O-N 3.34Å; A93-W96 VanDerWaalsContact O-N 3.14Å; A93-G97 PolarHBondContact O-N 3.47Å; A93-Y202 HydrophobicContact CB-CD1 3.95Å; A93-Y202 HydrophobicContact CB-CD2 4.05Å; A93-Y202 HydrophobicContact CB-CE1 3.64Å; A93-Y202 HydrophobicContact CB-CE2 3.76Å; A93-Y202 HydrophobicContact CB-CG 4.15Å; A93-Y202 PolarHBondContact N-OH 2.9Å; A93-Y224 HydrophobicContact CB-CE2 4.2Å; A93-Y224 PolarHBondContact N-OH 3.4Å; A93-Y224 VanDerWaalsContact N-OH 3.08Å
94T96Very high94.4Very high9 Ų942.6 Ų42.66%0.05521%0.205CC..Hα-helixtrans-51.1-41.8173.8-61.50000111.4Y92 G97 F98 V144 K168 H169 Y224Y92-T94 VanDerWaalsContact C-N 3.27Å; Y92-T94 PolarHBondContact O-N 2.82Å; T94-G97 PolarHBondContact O-N 2.89Å; T94-F98 WeakPolarHBondContact O-CB 3.41Å; T94-F98 PolarHBondContact O-N 2.96Å; T94-V144 HydrophobicContact CG2-CG1 3.75Å; T94-V144 WeakPolarHBondContact OG1-CG1 3.17Å; T94-K168 HydrophobicContact CG2-CD 4.29Å; T94-H169 VanDerWaalsContact CG2-NE2 3.28Å; T94-H169 WeakPolarHBondContact CG2-NE2 3.4Å; T94-H169 PolarHBondContact OG1-NE2 3.11Å; T94-Y224 PolarHBondContact N-OH 2.93Å; T94-Y224 PolarHBondContact OG1-OH 3.47Å
95N96.9Very high95.1Very high2 Ų236.9 Ų36.91%0.01118%0.178CC..Hα-helixtrans-79.3-29.5-175.2-68.7-14.9000111.7W89 Y92 A93 F98 L99 K168W89-N95 VanDerWaalsContact CD1-ND2 3.3Å; W89-N95 HydrophobicContact CD2-CB 3.74Å; W89-N95 HydrophobicContact CE3-CB 3.83Å; W89-N95 HydrophobicContact CG-CB 4.48Å; W89-N95 HydrophobicContact CH2-CB 3.64Å; W89-N95 VanDerWaalsContact CH2-O 3.28Å; W89-N95 WeakPolarHBondContact CH2-O 3.16Å; W89-N95 HydrophobicContact CZ2-CB 3.54Å; W89-N95 HydrophobicContact CZ3-CB 3.78Å; W89-N95 PolarHBondContact NE1-ND2 3.33Å; W89-N95 VanDerWaalsContact O-CB 3.27Å; W89-N95 WeakPolarHBondContact O-CB 3.33Å; W89-N95 PolarHBondContact O-ND2 3.33Å; Y92-N95 WeakPolarHBondContact O-CB 3.47Å; Y92-N95 PolarHBondContact O-N 3.25Å; A93-N95 PolarHBondContact O-N 3.46Å; N95-F98 PolarHBondContact O-N 3.44Å; N95-L99 VanDerWaalsContact O-CB 3.27Å; N95-L99 WeakPolarHBondContact O-CB 3.3Å; N95-L99 PolarHBondContact O-N 2.95Å; N95-K168 PolarHBondContact OD1-NZ 2.8Å
96W97.4Very high95.7Very high72 Ų7238.1 Ų38.127%0.27318%0.182SC..Hα-helixtrans-61.2-48166.9-7132000110.9I90 Y92 A93 F98 L99 L100 Y202I90-W96 PolarHBondContact O-NE1 2.95Å; Y92-W96 PolarHBondContact O-N 2.57Å; A93-W96 WeakPolarHBondContact O-CB 3.49Å; A93-W96 PolarHBondContact O-N 3.34Å; A93-W96 VanDerWaalsContact O-N 3.14Å; W96-F98 PolarHBondContact O-N 3.37Å; W96-L99 PolarHBondContact O-N 3.26Å; W96-L100 WeakPolarHBondContact O-CB 3.5Å; W96-L100 VanDerWaalsContact O-CG 3.29Å; W96-L100 WeakPolarHBondContact O-CG 3.4Å; W96-L100 PolarHBondContact O-N 3.43Å; W96-Y202 HydrophobicContact CD2-CD2 4.37Å; W96-Y202 HydrophobicContact CE3-CD2 4.4Å; W96-Y202 HydrophobicContact CH2-CD2 4.42Å; W96-Y202 HydrophobicContact CZ2-CD2 4.37Å; W96-Y202 HydrophobicContact CZ3-CD2 4.43Å
97G97.6Very high96.3Very high3 Ų329.8 Ų29.83%0.03115%0.15CC..Hα-helixtrans-59.1-46.5176.800000112A93 T94 L99 L100 L101 M141A93-G97 PolarHBondContact O-N 3.47Å; T94-G97 PolarHBondContact O-N 2.89Å; G97-L99 PolarHBondContact O-N 2.86Å; G97-L100 PolarHBondContact O-N 2.81Å; G97-L101 WeakPolarHBondContact O-CB 3.32Å; G97-L101 PolarHBondContact O-N 2.74Å; G97-M141 VanDerWaalsContact O-SD 3.38Å
98F98.5Very high96.9Very high0 Ų024.1 Ų24.10%013%0.128CC..Hα-helixtrans-67.5-36.5-178.7-172.3-144.2000112.9L66 W69 I70 D73 W89 T94 N95 W96 L101 T102 M141 K168 T172L66-F98 HydrophobicContact CD2-CE2 4.06Å; W69-F98 HydrophobicContact CB-CZ 4.12Å; W69-F98 HydrophobicContact CD2-CE2 4.32Å; W69-F98 AromaticContact CD2-CZ 3.81Å; W69-F98 HydrophobicContact CD2-CZ 3.81Å; W69-F98 HydrophobicContact CE3-CE2 4.3Å; W69-F98 HydrophobicContact CE3-CZ 4.24Å; W69-F98 AromaticContact CG-CZ 3.75Å; W69-F98 HydrophobicContact CG-CZ 3.75Å; I70-F98 HydrophobicContact CB-CD1 4.32Å; I70-F98 HydrophobicContact CB-CE1 3.76Å; I70-F98 HydrophobicContact CB-CZ 3.98Å; I70-F98 HydrophobicContact CD1-CD1 4.18Å; I70-F98 HydrophobicContact CD1-CE1 4.47Å; I70-F98 HydrophobicContact CD1-CG 4.48Å; I70-F98 HydrophobicContact CG1-CD1 3.86Å; I70-F98 HydrophobicContact CG1-CE1 3.78Å; I70-F98 HydrophobicContact CG1-CZ 4.43Å; D73-F98 HydrophobicContact CB-CE1 3.91Å; W89-F98 HydrophobicContact CZ2-CD1 4.37Å; T94-F98 WeakPolarHBondContact O-CB 3.41Å; T94-F98 PolarHBondContact O-N 2.96Å; N95-F98 PolarHBondContact O-N 3.44Å; W96-F98 PolarHBondContact O-N 3.37Å; F98-L101 HydrophobicContact CD2-CD2 4.29Å; F98-T102 PolarHBondContact O-N 2.97Å; F98-T102 PolarHBondContact O-OG1 3.36Å; F98-M141 HydrophobicContact CB-CE 4.33Å; F98-M141 PolarHBondContact N-SD 2.91Å; F98-K168 HydrophobicContact CD1-CD 4.14Å; F98-K168 HydrophobicContact CE1-CD 4.46Å; F98-T172 HydrophobicContact CD2-CG2 4.03Å; F98-T172 HydrophobicContact CE2-CG2 4.06Å
99L98.4Very high97.3Very high64 Ų6424.4 Ų24.434%0.33513%0.13SC..Hα-helixtrans-63.3-48.3171.9-17761.8000111.5I70 W89 I90 N95 W96 G97 L101 T102 I103I70-L99 HydrophobicContact CD1-CB 4.15Å; I70-L99 HydrophobicContact CD1-CD1 3.85Å; W89-L99 HydrophobicContact CH2-CB 4.19Å; I90-L99 HydrophobicContact CD1-CD2 4.33Å; N95-L99 VanDerWaalsContact O-CB 3.27Å; N95-L99 WeakPolarHBondContact O-CB 3.3Å; N95-L99 PolarHBondContact O-N 2.95Å; W96-L99 PolarHBondContact O-N 3.26Å; G97-L99 PolarHBondContact O-N 2.86Å; L99-L101 VanDerWaalsContact C-N 3.34Å; L99-L101 PolarHBondContact O-N 3.45Å; L99-T102 PolarHBondContact O-N 3.27Å; L99-I103 HydrophobicContact CD1-CD1 4.07Å; L99-I103 HydrophobicContact CD1-CG1 4.39Å; L99-I103 HydrophobicContact CG-CD1 3.9Å; L99-I103 WeakPolarHBondContact O-CG1 3.42Å; L99-I103 PolarHBondContact O-N 3.47Å
100L98.2Very high97.5Very high37 Ų3727.8 Ų27.819%0.19415%0.149CC..Hα-helixtrans-60.1-43.3177-73169.5000111.7W96 G97 T102 I103 V104 L133 L136W96-L100 WeakPolarHBondContact O-CB 3.5Å; W96-L100 VanDerWaalsContact O-CG 3.29Å; W96-L100 WeakPolarHBondContact O-CG 3.4Å; W96-L100 PolarHBondContact O-N 3.43Å; G97-L100 PolarHBondContact O-N 2.81Å; L100-T102 VanDerWaalsContact C-N 3.32Å; L100-T102 PolarHBondContact O-N 2.92Å; L100-I103 PolarHBondContact O-N 2.97Å; L100-V104 WeakPolarHBondContact O-CG1 3.3Å; L100-V104 PolarHBondContact O-N 2.94Å; L100-L133 HydrophobicContact CD2-CD2 3.93Å; L100-L136 HydrophobicContact CD1-CD2 3.94Å; L100-L136 HydrophobicContact CD1-CG 4.2Å
101L98.7Very high97.6Very high1 Ų125.2 Ų25.21%0.00514%0.135CC..Hα-helixtrans-56.8-46.2174.8-177.371.6000111L66 G97 F98 L99 V104 H105 M141 T172 V176L66-L101 HydrophobicContact CD1-CD2 4.48Å; L66-L101 HydrophobicContact CD1-CG 4.24Å; L66-L101 HydrophobicContact CD2-CD2 3.9Å; L66-L101 HydrophobicContact CD2-CG 4.48Å; G97-L101 WeakPolarHBondContact O-CB 3.32Å; G97-L101 PolarHBondContact O-N 2.74Å; F98-L101 HydrophobicContact CD2-CD2 4.29Å; L99-L101 VanDerWaalsContact C-N 3.34Å; L99-L101 PolarHBondContact O-N 3.45Å; L101-V104 VanDerWaalsContact O-CG1 3.23Å; L101-V104 WeakPolarHBondContact O-CG1 3.4Å; L101-H105 PolarHBondContact O-CD2 3.42Å; L101-H105 PolarHBondContact O-N 3.24Å; L101-H105 VanDerWaalsContact O-N 3.14Å; L101-M141 HydrophobicContact CB-CG 4.19Å; L101-M141 HydrophobicContact CB-SD 4.41Å; L101-M141 HydrophobicContact CD1-CG 4.28Å; L101-M141 HydrophobicContact CD2-CG 4.08Å; L101-M141 HydrophobicContact CG-CG 4.41Å; L101-T172 HydrophobicContact CD2-CG2 4.14Å; L101-V176 HydrophobicContact CD1-CG2 3.7Å
102T98.9Very high97.8Very high4 Ų424.9 Ų24.93%0.02513%0.132CC..Hα-helixtrans-67.5-45.9-178.8-55.10000111.6L66 I70 F98 L99 L100 V104 H105 I106L66-T102 HydrophobicContact CB-CG2 4.1Å; I70-T102 HydrophobicContact CG2-CG2 3.93Å; F98-T102 PolarHBondContact O-N 2.97Å; F98-T102 PolarHBondContact O-OG1 3.36Å; L99-T102 PolarHBondContact O-N 3.27Å; L100-T102 VanDerWaalsContact C-N 3.32Å; L100-T102 PolarHBondContact O-N 2.92Å; T102-V104 PolarHBondContact O-N 3.44Å; T102-H105 PolarHBondContact O-N 3.34Å; T102-I106 HydrophobicContact CG2-CD1 3.87Å; T102-I106 HydrophobicContact CG2-CG1 4.5Å; T102-I106 WeakPolarHBondContact O-CG1 3.31Å; T102-I106 PolarHBondContact O-N 2.76Å
103I98.7Very high97.8Very high74 Ų7428.6 Ų28.638%0.37915%0.153SC..Hα-helixtrans-60-44.8178.3-69.9170.4000111.1L99 L100 I106 S107L99-I103 HydrophobicContact CD1-CD1 4.07Å; L99-I103 HydrophobicContact CD1-CG1 4.39Å; L99-I103 HydrophobicContact CG-CD1 3.9Å; L99-I103 WeakPolarHBondContact O-CG1 3.42Å; L99-I103 PolarHBondContact O-N 3.47Å; L100-I103 PolarHBondContact O-N 2.97Å; I103-I106 PolarHBondContact O-N 2.97Å; I103-S107 WeakPolarHBondContact O-CB 3.48Å; I103-S107 PolarHBondContact O-N 2.84Å; I103-S107 PolarHBondContact O-OG 3.46Å
104V98.6Very high97.8Very high0 Ų030.3 Ų30.30%016%0.157CC..Hα-helixtrans-66.7-39.8-178.573.30000111.5L100 L101 T102 S107 L108 I130 L133 Y134 S137L100-V104 WeakPolarHBondContact O-CG1 3.3Å; L100-V104 PolarHBondContact O-N 2.94Å; L101-V104 VanDerWaalsContact O-CG1 3.23Å; L101-V104 WeakPolarHBondContact O-CG1 3.4Å; T102-V104 PolarHBondContact O-N 3.44Å; V104-S107 WeakPolarHBondContact O-CB 3.23Å; V104-S107 PolarHBondContact O-N 3.48Å; V104-L108 HydrophobicContact CG2-CD1 4.03Å; V104-L108 HydrophobicContact CG2-CG 4.38Å; V104-L108 WeakPolarHBondContact O-CB 3.33Å; V104-L108 VanDerWaalsContact O-CG 3.27Å; V104-L108 WeakPolarHBondContact O-CG 3.31Å; V104-L108 PolarHBondContact O-N 2.96Å; V104-I130 HydrophobicContact CG2-CG2 4.24Å; V104-L133 HydrophobicContact CB-CB 4.24Å; V104-L133 HydrophobicContact CG2-CB 4.09Å; V104-Y134 HydrophobicContact CG2-CD2 4.34Å; V104-S137 WeakPolarHBondContact CG1-OG 3.22Å
105H98.7Very high97.7Very high3 Ų331.5 Ų31.51%0.01416%0.161CC..Hα-helixtrans-72.7-33.7-179.7-78.7-65.1000112.7L66 L101 T102 L108 A109 D179L66-H105 HydrophobicContact CD1-CB 3.69Å; L66-H105 VanDerWaalsContact CD1-CD2 3.44Å; L66-H105 WeakPolarHBondContact CD1-CD2 3.41Å; L101-H105 PolarHBondContact O-CD2 3.42Å; L101-H105 PolarHBondContact O-N 3.24Å; L101-H105 VanDerWaalsContact O-N 3.14Å; T102-H105 PolarHBondContact O-N 3.34Å; H105-L108 PolarHBondContact O-N 3.49Å; H105-A109 WeakPolarHBondContact O-CB 3.38Å; H105-A109 PolarHBondContact O-N 2.93Å; H105-D179 IonicContact CE1-OD2 3.71Å
106I98.8Very high97.4Very high54 Ų5432.6 Ų32.628%0.27717%0.167SC..Hα-helixtrans-61.7-48.1168.2-68.8168.7000110.3A63 L67 T102 I103 L108 A109 I110A63-I106 HydrophobicContact CB-CG1 4.14Å; L67-I106 HydrophobicContact CB-CD1 4.42Å; L67-I106 HydrophobicContact CD1-CD1 4.2Å; T102-I106 HydrophobicContact CG2-CD1 3.87Å; T102-I106 HydrophobicContact CG2-CG1 4.5Å; T102-I106 WeakPolarHBondContact O-CG1 3.31Å; T102-I106 PolarHBondContact O-N 2.76Å; I103-I106 PolarHBondContact O-N 2.97Å; I106-L108 VanDerWaalsContact C-N 3.32Å; I106-L108 PolarHBondContact O-N 3.4Å; I106-A109 PolarHBondContact O-N 3.4Å; I106-I110 HydrophobicContact CG2-CD1 3.85Å; I106-I110 WeakPolarHBondContact O-CG1 3.46Å; I106-I110 PolarHBondContact O-N 2.91Å
107S98.6Very high96.9Very high36 Ų3634.1 Ų34.125%0.25218%0.179SC..Hα-helixtrans-58.5-44.2177.9-58.50000111.5I103 V104 I110 Y111I103-S107 WeakPolarHBondContact O-CB 3.48Å; I103-S107 PolarHBondContact O-N 2.84Å; I103-S107 PolarHBondContact O-OG 3.46Å; V104-S107 WeakPolarHBondContact O-CB 3.23Å; V104-S107 PolarHBondContact O-N 3.48Å; S107-I110 PolarHBondContact O-N 3.5Å; S107-Y111 VanDerWaalsContact O-CB 3.23Å; S107-Y111 WeakPolarHBondContact O-CB 3.47Å; S107-Y111 PolarHBondContact O-N 3.3Å
108L98.5Very high96.5Very high0 Ų041 Ų410%021%0.208CC..Hα-helixtrans-64.9-37.6176.8-75.6166.5000112.9V104 H105 I106 Y111 C112 I130 Y134 I185V104-L108 HydrophobicContact CG2-CD1 4.03Å; V104-L108 HydrophobicContact CG2-CG 4.38Å; V104-L108 WeakPolarHBondContact O-CB 3.33Å; V104-L108 VanDerWaalsContact O-CG 3.27Å; V104-L108 WeakPolarHBondContact O-CG 3.31Å; V104-L108 PolarHBondContact O-N 2.96Å; H105-L108 PolarHBondContact O-N 3.49Å; I106-L108 VanDerWaalsContact C-N 3.32Å; I106-L108 PolarHBondContact O-N 3.4Å; L108-Y111 PolarHBondContact O-N 3.06Å; L108-C112 WeakPolarHBondContact O-CB 3.49Å; L108-C112 PolarHBondContact O-N 3.47Å; L108-C112 PolarHBondContact O-SG 3.5Å; L108-I130 HydrophobicContact CD2-CG2 3.48Å; L108-I130 VanDerWaalsContact CD2-CG2 3.48Å; L108-I130 HydrophobicContact CG-CG2 3.73Å; L108-Y134 HydrophobicContact CD1-CD2 3.87Å; L108-Y134 HydrophobicContact CD1-CE2 4.25Å; L108-I185 HydrophobicContact CD1-CD1 4.17Å; L108-I185 HydrophobicContact CD2-CD1 3.59Å
109A98.5Very high96.1Very high13 Ų1345 Ų4511%0.10723%0.226CC..Hα-helixtrans-64.9-46.5175.300000111.6R59 A63 H105 I106 Y111 C112 L113R59-A109 HydrophobicContact CB-CB 4.19Å; A63-A109 HydrophobicContact CB-CB 3.78Å; H105-A109 WeakPolarHBondContact O-CB 3.38Å; H105-A109 PolarHBondContact O-N 2.93Å; I106-A109 PolarHBondContact O-N 3.4Å; A109-Y111 VanDerWaalsContact C-N 3.34Å; A109-C112 PolarHBondContact O-N 2.94Å; A109-L113 WeakPolarHBondContact O-CB 3.26Å; A109-L113 PolarHBondContact O-N 2.87Å
110I97.6Very high95.5Very high91 Ų9145.7 Ų45.747%0.46723%0.234SC..Hα-helixtrans-62.1-44.4175.2-65.9168.7000110.2I106 S107 C112 L113 I114I106-I110 HydrophobicContact CG2-CD1 3.85Å; I106-I110 WeakPolarHBondContact O-CG1 3.46Å; I106-I110 PolarHBondContact O-N 2.91Å; S107-I110 PolarHBondContact O-N 3.5Å; I110-C112 PolarHBondContact O-N 2.66Å; I110-L113 WeakPolarHBondContact O-CB 3.08Å; I110-L113 PolarHBondContact O-N 2.79Å; I110-I114 HydrophobicContact CG2-CD1 3.78Å; I110-I114 HydrophobicContact CG2-CG1 4.39Å; I110-I114 WeakPolarHBondContact O-CG1 3.44Å; I110-I114 PolarHBondContact O-N 2.58Å
111Y97.1Very high95.1Very high18 Ų1851.4 Ų51.47%0.07127%0.265CS..Hα-helixtrans-60.4-45.9178.8-158.3-111.3000111.6F42 V43 S107 L108 A109 I114 Y115 P124 K125 I130F42-Y111 HydrophobicContact CB-CD1 4.29Å; F42-Y111 HydrophobicContact CB-CE1 3.85Å; V43-Y111 HydrophobicContact CG1-CD1 3.27Å; V43-Y111 HydrophobicContact CG1-CE1 3.44Å; V43-Y111 VanDerWaalsContact CG1-CE1 3.44Å; V43-Y111 HydrophobicContact CG1-CG 4.31Å; S107-Y111 VanDerWaalsContact O-CB 3.23Å; S107-Y111 WeakPolarHBondContact O-CB 3.47Å; S107-Y111 PolarHBondContact O-N 3.3Å; L108-Y111 PolarHBondContact O-N 3.06Å; A109-Y111 VanDerWaalsContact C-N 3.34Å; Y111-I114 PolarHBondContact O-N 2.67Å; Y111-Y115 HydrophobicContact CD1-CD2 4.17Å; Y111-Y115 AromaticContact CD2-CD2 3.98Å; Y111-Y115 HydrophobicContact CD2-CD2 3.98Å; Y111-Y115 AromaticContact CD2-CE2 3.73Å; Y111-Y115 HydrophobicContact CD2-CE2 3.73Å; Y111-Y115 HydrophobicContact CE1-CD2 4.01Å; Y111-Y115 HydrophobicContact CE1-CE2 4.16Å; Y111-Y115 AromaticContact CE2-CD2 3.87Å; Y111-Y115 HydrophobicContact CE2-CD2 3.87Å; Y111-Y115 AromaticContact CE2-CE2 3.29Å; Y111-Y115 HydrophobicContact CE2-CE2 3.29Å; Y111-Y115 HydrophobicContact CG-CD2 4.13Å; Y111-Y115 HydrophobicContact CG-CE2 4.33Å; Y111-Y115 AromaticContact CZ-CD2 3.84Å; Y111-Y115 AromaticContact CZ-CE2 3.5Å; Y111-Y115 WeakPolarHBondContact O-CD2 3.43Å; Y111-Y115 PolarHBondContact O-N 3.49Å; Y111-P124 HydrophobicContact CE1-CB 3.8Å; Y111-P124 WeakPolarHBondContact OH-CB 3.32Å; Y111-K125 VanDerWaalsContact CE2-O 3.31Å; Y111-K125 WeakPolarHBondContact CE2-O 3.34Å; Y111-K125 PolarHBondContact OH-N 3.2Å; Y111-K125 PolarHBondContact OH-O 3.18Å; Y111-I130 HydrophobicContact CD1-CD1 4.47Å; Y111-I130 HydrophobicContact CD2-CD1 3.68Å; Y111-I130 HydrophobicContact CE2-CD1 4.21Å; Y111-I130 HydrophobicContact CG-CD1 3.84Å
112C96.6Very high94.6Very high0 Ų055.8 Ų55.80%029%0.289CS..Hα-helixtrans-64.7-39.3175-700000112.4T56 L108 A109 I110 N116T56-C112 HydrophobicContact CG2-CB 3.92Å; L108-C112 WeakPolarHBondContact O-CB 3.49Å; L108-C112 PolarHBondContact O-N 3.47Å; L108-C112 PolarHBondContact O-SG 3.5Å; A109-C112 PolarHBondContact O-N 2.94Å; I110-C112 PolarHBondContact O-N 2.66Å; C112-N116 WeakPolarHBondContact O-CA 3.28Å; C112-N116 WeakPolarHBondContact O-CB 3.36Å; C112-N116 PolarHBondContact O-N 3.22Å
113L95.9Very high94.1Very high92 Ų9261.2 Ų61.248%0.48231%0.314SS..Hα-helixtrans-61.1-45.4175.6177.263000111.3A109 I110 I117 K118A109-L113 WeakPolarHBondContact O-CB 3.26Å; A109-L113 PolarHBondContact O-N 2.87Å; I110-L113 WeakPolarHBondContact O-CB 3.08Å; I110-L113 PolarHBondContact O-N 2.79Å; L113-I117 HydrophobicContact CD1-CB 4.23Å; L113-I117 HydrophobicContact CD1-CD1 3.6Å; L113-I117 HydrophobicContact CD1-CG1 4.4Å; L113-I117 WeakPolarHBondContact O-CB 3.31Å; L113-I117 PolarHBondContact O-N 2.88Å; L113-K118 PolarHBondContact O-N 3.31Å
114I95.2Very high93.8Very high63 Ų6358.1 Ų58.132%0.32330%0.298SS..Iπ-helixtrans-63.3-51.7179.1-68.7170.6000110.5I110 Y111 K118 F119I110-I114 HydrophobicContact CG2-CD1 3.78Å; I110-I114 HydrophobicContact CG2-CG1 4.39Å; I110-I114 WeakPolarHBondContact O-CG1 3.44Å; I110-I114 PolarHBondContact O-N 2.58Å; Y111-I114 PolarHBondContact O-N 2.67Å; I114-K118 CarbonylContact O-C 3.45Å; I114-K118 WeakPolarHBondContact O-CA 3.28Å; I114-K118 VanDerWaalsContact O-CB 3.32Å; I114-K118 WeakPolarHBondContact O-CB 3.25Å; I114-K118 PolarHBondContact O-N 2.9Å; I114-K118 VanDerWaalsContact O-N 3.16Å; I114-F119 HydrophobicContact CG2-CD2 3.79Å; I114-F119 HydrophobicContact CG2-CE2 4.26Å; I114-F119 PolarHBondContact O-N 3.41Å
115Y95Very high93.5Very high34 Ų3464.1 Ų64.113%0.13332%0.324CS..Iπ-helixtrans-91.5-21-169.8-72.5-74.4000115.3V43 Y111 F119 P120 N122 P124 K125V43-Y115 HydrophobicContact CG1-CD2 4.22Å; V43-Y115 HydrophobicContact CG1-CG 4.34Å; Y111-Y115 HydrophobicContact CD1-CD2 4.17Å; Y111-Y115 AromaticContact CD2-CD2 3.98Å; Y111-Y115 HydrophobicContact CD2-CD2 3.98Å; Y111-Y115 AromaticContact CD2-CE2 3.73Å; Y111-Y115 HydrophobicContact CD2-CE2 3.73Å; Y111-Y115 HydrophobicContact CE1-CD2 4.01Å; Y111-Y115 HydrophobicContact CE1-CE2 4.16Å; Y111-Y115 AromaticContact CE2-CD2 3.87Å; Y111-Y115 HydrophobicContact CE2-CD2 3.87Å; Y111-Y115 AromaticContact CE2-CE2 3.29Å; Y111-Y115 HydrophobicContact CE2-CE2 3.29Å; Y111-Y115 HydrophobicContact CG-CD2 4.13Å; Y111-Y115 HydrophobicContact CG-CE2 4.33Å; Y111-Y115 AromaticContact CZ-CD2 3.84Å; Y111-Y115 AromaticContact CZ-CE2 3.5Å; Y111-Y115 WeakPolarHBondContact O-CD2 3.43Å; Y111-Y115 PolarHBondContact O-N 3.49Å; Y115-F119 CarbonylContact O-C 3.57Å; Y115-P120 WeakPolarHBondContact O-CA 3.34Å; Y115-N122 HydrophobicContact CD1-CB 4.46Å; Y115-N122 HydrophobicContact CE1-CB 4.42Å; Y115-P124 HydrophobicContact CD1-CB 4.22Å; Y115-P124 HydrophobicContact CD1-CG 4.12Å; Y115-P124 HydrophobicContact CD2-CB 4.21Å; Y115-P124 VanDerWaalsContact CE1-CA 3.47Å; Y115-P124 HydrophobicContact CE1-CB 4.29Å; Y115-P124 HydrophobicContact CE2-CB 4.3Å; Y115-P124 HydrophobicContact CG-CB 4.17Å; Y115-P124 HydrophobicContact CG-CG 4.1Å; Y115-K125 PolarHBondContact OH-N 2.89Å; Y115-K125 PolarHBondContact OH-O 3.24Å
116N90.8Very high93.2Very high26 Ų2672.7 Ų72.714%0.13936%0.358CS..Iπ-helixtrans-96.2-21.1175.8-66.2-40.8000113.2V43 P52 T56 C112V43-N116 PolarHBondContact O-ND2 2.93Å; P52-N116 HydrophobicContact CB-CB 4.03Å; T56-N116 WeakPolarHBondContact OG1-CB 3.17Å; T56-N116 PolarHBondContact OG1-ND2 3.25Å; C112-N116 WeakPolarHBondContact O-CA 3.28Å; C112-N116 WeakPolarHBondContact O-CB 3.36Å; C112-N116 PolarHBondContact O-N 3.22Å
117I87Confident92.9Very high104 Ų10471 Ų7153%0.53335%0.348SS..Iπ-helixtrans-113.9-51.8-176.7-60.4173000110.8T56 L113T56-I117 HydrophobicContact CG2-CD1 3.93Å; L113-I117 HydrophobicContact CD1-CB 4.23Å; L113-I117 HydrophobicContact CD1-CD1 3.6Å; L113-I117 HydrophobicContact CD1-CG1 4.4Å; L113-I117 WeakPolarHBondContact O-CB 3.31Å; L113-I117 PolarHBondContact O-N 2.88Å
118K88.7Confident92.7Very high147 Ų14772.3 Ų72.364%0.63935%0.35SS*.Iπ-helixtrans-82-40.8-173.9-168.9176.1178.9-179.90113.5L113 I114 P120L113-K118 PolarHBondContact O-N 3.31Å; I114-K118 CarbonylContact O-C 3.45Å; I114-K118 WeakPolarHBondContact O-CA 3.28Å; I114-K118 VanDerWaalsContact O-CB 3.32Å; I114-K118 WeakPolarHBondContact O-CB 3.25Å; I114-K118 PolarHBondContact O-N 2.9Å; I114-K118 VanDerWaalsContact O-N 3.16Å; K118-P120 VanDerWaalsContact C-CD 3.47Å
119F89.6Confident92.6Very high84 Ų8476 Ų7637%0.36838%0.375SS..  trans-132.159.3-176.9-56.1-70000111.9I114 Y115 N121 N122I114-F119 HydrophobicContact CG2-CD2 3.79Å; I114-F119 HydrophobicContact CG2-CE2 4.26Å; I114-F119 PolarHBondContact O-N 3.41Å; Y115-F119 CarbonylContact O-C 3.57Å; F119-N121 PolarHBondContact O-N 3.42Å; F119-N121 VanDerWaalsContact O-N 3.09Å; F119-N122 HydrophobicContact CB-CB 3.88Å; F119-N122 PolarHBondContact O-N 2.89Å
120P85.8Confident92.5Very high79 Ų7976.3 Ų76.351%0.51337%0.374SS..THydrogen-bonded Turntrans-59.4-23.8-174.625.6-35.5000114.7Y115 K118Y115-P120 WeakPolarHBondContact O-CA 3.34Å; K118-P120 VanDerWaalsContact C-CD 3.47Å
121N88.9Confident92.5Very high157 Ų15772 Ų7284%0.8435%0.352SS*.THydrogen-bonded Turntrans-95.9-6.1-178.4-58.9-26.6000112.7F119F119-N121 PolarHBondContact O-N 3.42Å; F119-N121 VanDerWaalsContact O-N 3.09Å
122N89.3Confident92.4Very high93 Ų9374.3 Ų74.350%0.49736%0.362SS..SBendtrans-88141.1-179.9-68.132.6000110.3Y115 F119Y115-N122 HydrophobicContact CD1-CB 4.46Å; Y115-N122 HydrophobicContact CE1-CB 4.42Å; F119-N122 HydrophobicContact CB-CB 3.88Å; F119-N122 PolarHBondContact O-N 2.89Å
123E89.2Confident92.5Very high118 Ų11876.2 Ų76.255%0.55137%0.373SS*.PPolyproline II helixtrans-67.6131.5169.5-169.4-178.8-175.900110.6P39 K125P39-E123 HydrophobicContact CB-CG 4.33Å; P39-E123 HydrophobicContact CG-CG 4.34Å; P39-E123 WeakPolarHBondContact CG-OE1 3.36Å; E123-K125 PolarHBondContact O-N 3.41Å
124P92.4Very high92.6Very high9 Ų972 Ų726%0.05835%0.35CS..PPolyproline II helixtrans-61.8127.8176-24.435.8000113P39 V43 Y111 Y115P39-P124 HydrophobicContact CB-CB 4.14Å; P39-P124 WeakPolarHBondContact CB-O 3.29Å; V43-P124 HydrophobicContact CG1-CB 4.41Å; V43-P124 HydrophobicContact CG1-CG 4.14Å; V43-P124 HydrophobicContact CG2-CG 3.83Å; Y111-P124 HydrophobicContact CE1-CB 3.8Å; Y111-P124 WeakPolarHBondContact OH-CB 3.32Å; Y115-P124 HydrophobicContact CD1-CB 4.22Å; Y115-P124 HydrophobicContact CD1-CG 4.12Å; Y115-P124 HydrophobicContact CD2-CB 4.21Å; Y115-P124 VanDerWaalsContact CE1-CA 3.47Å; Y115-P124 HydrophobicContact CE1-CB 4.29Å; Y115-P124 HydrophobicContact CE2-CB 4.3Å; Y115-P124 HydrophobicContact CG-CB 4.17Å; Y115-P124 HydrophobicContact CG-CG 4.1Å
125K92.1Very high92.7Very high125 Ų12569.1 Ų69.154%0.54334%0.335SS..  trans-115.8160.9176.7-61.7-174.6-178.1-175.60111.6Y111 Y115 E123 Y127Y111-K125 VanDerWaalsContact CE2-O 3.31Å; Y111-K125 WeakPolarHBondContact CE2-O 3.34Å; Y111-K125 PolarHBondContact OH-N 3.2Å; Y111-K125 PolarHBondContact OH-O 3.18Å; Y115-K125 PolarHBondContact OH-N 2.89Å; Y115-K125 PolarHBondContact OH-O 3.24Å; E123-K125 PolarHBondContact O-N 3.41Å; K125-Y127 VanDerWaalsContact C-N 3.28Å; K125-Y127 PolarHBondContact O-N 3.46Å
126Y90.6Very high92.8Very high183 Ų18367.9 Ų67.972%0.71833%0.331SS*.  trans59.431.6175.9-47.5-74.5000114.5Q128 P129Y126-Q128 VanDerWaalsContact C-OE1 3.28Å; Y126-Q128 PolarHBondContact O-N 3.01Å; Y126-P129 WeakPolarHBondContact O-CD 3.4Å
127Y93.6Very high93.2Very high18 Ų1866.7 Ų66.77%0.07133%0.325CS..  trans-73.6-15.3177.357.7-92.9000113F34 H36 P39 F42 K125 I130 W131F34-Y127 WeakPolarHBondContact O-CE2 3.44Å; H36-Y127 HydrophobicContact CB-CE2 3.68Å; H36-Y127 PolarHBondContact N-OH 2.95Å; H36-Y127 PolarHBondContact O-OH 3.29Å; P39-Y127 HydrophobicContact CB-CD1 3.72Å; P39-Y127 HydrophobicContact CB-CE1 3.55Å; P39-Y127 HydrophobicContact CG-CD1 4.23Å; P39-Y127 HydrophobicContact CG-CE1 3.53Å; F42-Y127 HydrophobicContact CD2-CD1 4.41Å; F42-Y127 AromaticContact CD2-CD2 3.66Å; F42-Y127 HydrophobicContact CD2-CD2 3.66Å; F42-Y127 HydrophobicContact CD2-CE2 4.37Å; F42-Y127 AromaticContact CD2-CG 3.68Å; F42-Y127 HydrophobicContact CD2-CG 3.68Å; F42-Y127 HydrophobicContact CE1-CD2 4.18Å; F42-Y127 AromaticContact CE2-CD2 3.22Å; F42-Y127 HydrophobicContact CE2-CD2 3.22Å; F42-Y127 AromaticContact CE2-CE2 3.67Å; F42-Y127 HydrophobicContact CE2-CE2 3.67Å; F42-Y127 AromaticContact CE2-CG 3.77Å; F42-Y127 HydrophobicContact CE2-CG 3.77Å; F42-Y127 HydrophobicContact CG-CD2 4.3Å; F42-Y127 HydrophobicContact CG-CG 4.15Å; F42-Y127 AromaticContact CZ-CD2 3.54Å; F42-Y127 HydrophobicContact CZ-CD2 3.54Å; F42-Y127 HydrophobicContact CZ-CE2 4.13Å; F42-Y127 HydrophobicContact CZ-CG 4.32Å; K125-Y127 VanDerWaalsContact C-N 3.28Å; K125-Y127 PolarHBondContact O-N 3.46Å; Y127-I130 WeakPolarHBondContact O-CB 3.26Å; Y127-I130 PolarHBondContact O-N 3.22Å; Y127-W131 HydrophobicContact CD2-CE3 4.38Å; Y127-W131 HydrophobicContact CE2-CE3 4.16Å; Y127-W131 HydrophobicContact CE2-CZ3 4.47Å; Y127-W131 PolarHBondContact O-N 2.98Å
128Q94.7Very high93.8Very high64 Ų6461.8 Ų61.830%0.29930%0.3SS..Hα-helixtrans-57.7-47.3-171.3-60.495.8-39.300113.8F34 Y126 I130 W131 F132F34-Q128 HydrophobicContact CB-CB 3.63Å; F34-Q128 HydrophobicContact CB-CG 3.82Å; F34-Q128 WeakPolarHBondContact O-CG 3.48Å; Y126-Q128 VanDerWaalsContact C-OE1 3.28Å; Y126-Q128 PolarHBondContact O-N 3.01Å; Q128-I130 VanDerWaalsContact C-N 3.34Å; Q128-I130 PolarHBondContact O-N 2.76Å; Q128-W131 WeakPolarHBondContact O-CB 3.35Å; Q128-W131 PolarHBondContact O-N 3.47Å; Q128-F132 PolarHBondContact O-N 2.88Å
129P96Very high94.3Very high79 Ų7954.8 Ų54.851%0.51327%0.27SS..Hα-helixtrans-65.7-37.5178-19.834.2000112.2Y126 W131 F132 L133Y126-P129 WeakPolarHBondContact O-CD 3.4Å; P129-W131 VanDerWaalsContact C-N 3.3Å; P129-W131 PolarHBondContact O-N 3.3Å; P129-F132 PolarHBondContact O-N 2.98Å; P129-L133 VanDerWaalsContact O-CG 3.3Å; P129-L133 WeakPolarHBondContact O-CG 3.48Å; P129-L133 PolarHBondContact O-N 2.82Å
130I96.9Very high94.7Very high19 Ų1951.8 Ų51.810%0.09726%0.259CS..Hα-helixtrans-63.5-42.2176.1-61.3176.6000109.6V104 L108 Y111 Y127 Q128 L133 Y134V104-I130 HydrophobicContact CG2-CG2 4.24Å; L108-I130 HydrophobicContact CD2-CG2 3.48Å; L108-I130 VanDerWaalsContact CD2-CG2 3.48Å; L108-I130 HydrophobicContact CG-CG2 3.73Å; Y111-I130 HydrophobicContact CD1-CD1 4.47Å; Y111-I130 HydrophobicContact CD2-CD1 3.68Å; Y111-I130 HydrophobicContact CE2-CD1 4.21Å; Y111-I130 HydrophobicContact CG-CD1 3.84Å; Y127-I130 WeakPolarHBondContact O-CB 3.26Å; Y127-I130 PolarHBondContact O-N 3.22Å; Q128-I130 VanDerWaalsContact C-N 3.34Å; Q128-I130 PolarHBondContact O-N 2.76Å; I130-L133 PolarHBondContact O-N 3.17Å; I130-Y134 VanDerWaalsContact O-CB 3.25Å; I130-Y134 WeakPolarHBondContact O-CB 3.27Å; I130-Y134 PolarHBondContact O-N 2.92Å
131W96.6Very high95.3Very high0 Ų048 Ų480%023%0.234CC..Hα-helixtrans-63.9-46.4177.8-168.618.2000112.1F34 H36 F42 Y127 Q128 P129 L133 Y134 N135 P186 R188 H191F34-W131 VanDerWaalsContact C-CZ3 3.42Å; F34-W131 HydrophobicContact CB-CE3 3.73Å; F34-W131 HydrophobicContact CB-CZ3 4.19Å; F34-W131 HydrophobicContact CD1-CB 3.87Å; F34-W131 AromaticContact CD1-CD2 3.55Å; F34-W131 HydrophobicContact CD1-CD2 3.55Å; F34-W131 AromaticContact CD1-CE3 3.54Å; F34-W131 HydrophobicContact CD1-CE3 3.54Å; F34-W131 AromaticContact CD1-CG 3.75Å; F34-W131 HydrophobicContact CD1-CG 3.75Å; F34-W131 HydrophobicContact CD1-CZ3 4.3Å; F34-W131 HydrophobicContact CE1-CB 4.46Å; F34-W131 HydrophobicContact CE1-CD2 4.25Å; F34-W131 HydrophobicContact CE1-CG 4.23Å; F34-W131 HydrophobicContact CG-CE3 4.14Å; H36-W131 HydrophobicContact CB-CE3 4.43Å; H36-W131 HydrophobicContact CB-CH2 4.07Å; H36-W131 HydrophobicContact CB-CZ3 3.73Å; F42-W131 HydrophobicContact CD1-CB 4.5Å; F42-W131 HydrophobicContact CE1-CB 3.42Å; F42-W131 VanDerWaalsContact CE1-CB 3.42Å; F42-W131 AromaticContact CE1-CD1 3.75Å; F42-W131 HydrophobicContact CE1-CD2 4.06Å; F42-W131 AromaticContact CE1-CG 3.48Å; F42-W131 HydrophobicContact CE1-CG 3.48Å; F42-W131 VanDerWaalsContact CE1-CG 3.48Å; F42-W131 HydrophobicContact CZ-CB 3.74Å; F42-W131 AromaticContact CZ-CD1 3.94Å; F42-W131 AromaticContact CZ-CD2 3.53Å; F42-W131 HydrophobicContact CZ-CD2 3.53Å; F42-W131 AromaticContact CZ-CE3 3.78Å; F42-W131 HydrophobicContact CZ-CE3 3.78Å; F42-W131 AromaticContact CZ-CG 3.49Å; F42-W131 HydrophobicContact CZ-CG 3.49Å; F42-W131 VanDerWaalsContact CZ-CG 3.49Å; Y127-W131 HydrophobicContact CD2-CE3 4.38Å; Y127-W131 HydrophobicContact CE2-CE3 4.16Å; Y127-W131 HydrophobicContact CE2-CZ3 4.47Å; Y127-W131 PolarHBondContact O-N 2.98Å; Q128-W131 WeakPolarHBondContact O-CB 3.35Å; Q128-W131 PolarHBondContact O-N 3.47Å; P129-W131 VanDerWaalsContact C-N 3.3Å; P129-W131 PolarHBondContact O-N 3.3Å; W131-L133 PolarHBondContact O-N 3.32Å; W131-Y134 WeakPolarHBondContact O-CB 3.39Å; W131-Y134 PolarHBondContact O-N 2.92Å; W131-N135 PolarHBondContact NE1-ND2 3.49Å; W131-N135 PolarHBondContact O-N 3.37Å; W131-N135 PolarHBondContact O-ND2 3.46Å; W131-P186 HydrophobicContact CH2-CG 4.02Å; W131-P186 HydrophobicContact CZ2-CB 4Å; W131-P186 HydrophobicContact CZ2-CG 3.33Å; W131-P186 PolarHBondContact NE1-O 3.26Å; W131-R188 VanDerWaalsContact CH2-NH1 3.32Å; W131-R188 HydrophobicContact CZ2-CG 4.05Å; W131-H191 AromaticContact CE2-CE1 3.65Å; W131-H191 AromaticContact CH2-CE1 3.99Å; W131-H191 AromaticContact CZ2-CE1 3.48Å; W131-H191 VanDerWaalsContact CZ2-CE1 3.48Å; W131-H191 WeakPolarHBondContact CZ2-CE1 3.3Å
132F96.6Very high95.8Very high66 Ų6641.6 Ų41.629%0.28920%0.2SC..Hα-helixtrans-53.7-53.4173.8167.2-103.5000111.6F34 Q128 P129 Y134 N135 L136 Y194F34-F132 HydrophobicContact CD1-CB 4.24Å; F34-F132 HydrophobicContact CD2-CB 4.24Å; F34-F132 HydrophobicContact CE1-CB 3.77Å; F34-F132 HydrophobicContact CE2-CB 3.75Å; F34-F132 AromaticContact CE2-CD2 3.73Å; F34-F132 HydrophobicContact CE2-CD2 3.73Å; F34-F132 HydrophobicContact CE2-CG 4.16Å; F34-F132 HydrophobicContact CG-CB 4.48Å; F34-F132 HydrophobicContact CZ-CB 3.52Å; F34-F132 AromaticContact CZ-CD2 3.55Å; F34-F132 HydrophobicContact CZ-CD2 3.55Å; F34-F132 HydrophobicContact CZ-CG 4.02Å; Q128-F132 PolarHBondContact O-N 2.88Å; P129-F132 PolarHBondContact O-N 2.98Å; F132-Y134 VanDerWaalsContact C-N 3.27Å; F132-Y134 PolarHBondContact O-N 3.2Å; F132-N135 PolarHBondContact O-N 3.4Å; F132-L136 HydrophobicContact CE1-CD2 4.23Å; F132-L136 HydrophobicContact CZ-CD2 4.1Å; F132-L136 WeakPolarHBondContact O-CB 3.27Å; F132-L136 PolarHBondContact O-N 2.92Å; F132-Y194 HydrophobicContact CD2-CD1 4.2Å; F132-Y194 HydrophobicContact CD2-CD2 4.22Å; F132-Y194 HydrophobicContact CD2-CG 4.02Å; F132-Y194 AromaticContact CE2-CD1 3.65Å; F132-Y194 HydrophobicContact CE2-CD1 3.65Å; F132-Y194 HydrophobicContact CE2-CD2 4.34Å; F132-Y194 HydrophobicContact CE2-CE1 4.28Å; F132-Y194 AromaticContact CE2-CG 3.67Å; F132-Y194 HydrophobicContact CE2-CG 3.67Å
133L97.4Very high96.2Very high41 Ų4137.9 Ų37.922%0.21518%0.181CC..Hα-helixtrans-63.6-32.1179.4-66.9174.6000112.5L100 V104 P129 I130 W131 S137L100-L133 HydrophobicContact CD2-CD2 3.93Å; V104-L133 HydrophobicContact CB-CB 4.24Å; V104-L133 HydrophobicContact CG2-CB 4.09Å; P129-L133 VanDerWaalsContact O-CG 3.3Å; P129-L133 WeakPolarHBondContact O-CG 3.48Å; P129-L133 PolarHBondContact O-N 2.82Å; I130-L133 PolarHBondContact O-N 3.17Å; W131-L133 PolarHBondContact O-N 3.32Å; L133-S137 VanDerWaalsContact O-CB 3.29Å; L133-S137 WeakPolarHBondContact O-CB 3.39Å; L133-S137 PolarHBondContact O-N 3.15Å; L133-S137 PolarHBondContact O-OG 2.96Å
134Y98.3Very high96.6Very high4 Ų433.2 Ų33.22%0.01616%0.16CC..Hα-helixtrans-65.9-52.5177.2-175.7-99.8000111.9V104 L108 I130 W131 F132 L136 S137 A138 D179 I180 C183 I185V104-Y134 HydrophobicContact CG2-CD2 4.34Å; L108-Y134 HydrophobicContact CD1-CD2 3.87Å; L108-Y134 HydrophobicContact CD1-CE2 4.25Å; I130-Y134 VanDerWaalsContact O-CB 3.25Å; I130-Y134 WeakPolarHBondContact O-CB 3.27Å; I130-Y134 PolarHBondContact O-N 2.92Å; W131-Y134 WeakPolarHBondContact O-CB 3.39Å; W131-Y134 PolarHBondContact O-N 2.92Å; F132-Y134 VanDerWaalsContact C-N 3.27Å; F132-Y134 PolarHBondContact O-N 3.2Å; Y134-L136 VanDerWaalsContact C-N 3.27Å; Y134-L136 PolarHBondContact O-N 3.34Å; Y134-S137 PolarHBondContact O-OG 3.48Å; Y134-A138 WeakPolarHBondContact O-CB 3.44Å; Y134-A138 PolarHBondContact O-N 2.99Å; Y134-D179 VanDerWaalsContact CE2-OD2 3.22Å; Y134-D179 WeakPolarHBondContact CE2-OD2 3.18Å; Y134-D179 PolarHBondContact OH-OD2 3.44Å; Y134-I180 HydrophobicContact CE1-CG1 4.46Å; Y134-I180 WeakPolarHBondContact OH-CG1 3.38Å; Y134-C183 PolarHBondContact OH-SG 3.36Å; Y134-I185 HydrophobicContact CD1-CB 4.34Å; Y134-I185 HydrophobicContact CD1-CG2 3.57Å; Y134-I185 HydrophobicContact CD2-CD1 4.32Å; Y134-I185 HydrophobicContact CE1-CB 4.1Å; Y134-I185 HydrophobicContact CE1-CG2 3.8Å; Y134-I185 HydrophobicContact CE2-CD1 4.34Å; Y134-I185 HydrophobicContact CG-CD1 4.43Å; Y134-I185 HydrophobicContact CG-CG2 4.22Å
135N97.3Very high96.9Very high2 Ų233.5 Ų33.51%0.01116%0.162CC..Hα-helixtrans-60.2-41.9177.2-68.5-91000110.9W131 F132 T139 M187 H191W131-N135 PolarHBondContact NE1-ND2 3.49Å; W131-N135 PolarHBondContact O-N 3.37Å; W131-N135 PolarHBondContact O-ND2 3.46Å; F132-N135 PolarHBondContact O-N 3.4Å; N135-T139 WeakPolarHBondContact O-CB 3.25Å; N135-T139 PolarHBondContact O-N 2.91Å; N135-T139 VanDerWaalsContact O-N 3.15Å; N135-T139 PolarHBondContact O-OG1 3.35Å; N135-M187 HydrophobicContact CB-CE 3.9Å; N135-M187 HydrophobicContact CB-SD 4.37Å; N135-M187 WeakPolarHBondContact OD1-CE 3.36Å; N135-M187 PolarHBondContact OD1-SD 3.02Å; N135-M187 VanDerWaalsContact OD1-SD 3.36Å; N135-H191 HydrophobicContact CB-CB 4.41Å; N135-H191 PolarHBondContact ND2-ND1 3.45Å; N135-H191 PolarHBondContact OD1-ND1 3.22Å
136L98Very high97.2Very high7 Ų729.6 Ų29.64%0.03715%0.148CC..Hα-helixtrans-63.4-57-179.3179.760.5000111.3L100 F132 Y134 A138 T139 C140 P195 V198L100-L136 HydrophobicContact CD1-CD2 3.94Å; L100-L136 HydrophobicContact CD1-CG 4.2Å; F132-L136 HydrophobicContact CE1-CD2 4.23Å; F132-L136 HydrophobicContact CZ-CD2 4.1Å; F132-L136 WeakPolarHBondContact O-CB 3.27Å; F132-L136 PolarHBondContact O-N 2.92Å; Y134-L136 VanDerWaalsContact C-N 3.27Å; Y134-L136 PolarHBondContact O-N 3.34Å; L136-A138 PolarHBondContact O-N 3.31Å; L136-T139 PolarHBondContact O-N 2.89Å; L136-C140 WeakPolarHBondContact O-CB 3.23Å; L136-C140 PolarHBondContact O-N 2.86Å; L136-C140 PolarHBondContact O-SG 3.5Å; L136-P195 HydrophobicContact CD1-CB 3.98Å; L136-V198 HydrophobicContact CD1-CB 4.02Å; L136-V198 HydrophobicContact CD1-CG1 4.45Å; L136-V198 HydrophobicContact CD1-CG2 3.65Å; L136-V198 HydrophobicContact CD2-CG2 4Å; L136-V198 HydrophobicContact CG-CG2 4.47Å
137S98.6Very high97.6Very high1 Ų123.1 Ų23.11%0.00713%0.128CC..Hα-helixtrans-60.5-44.1-179.258.40000112.3V104 L133 Y134 T139 C140 M141V104-S137 WeakPolarHBondContact CG1-OG 3.22Å; L133-S137 VanDerWaalsContact O-CB 3.29Å; L133-S137 WeakPolarHBondContact O-CB 3.39Å; L133-S137 PolarHBondContact O-N 3.15Å; L133-S137 PolarHBondContact O-OG 2.96Å; Y134-S137 PolarHBondContact O-OG 3.48Å; S137-T139 VanDerWaalsContact C-N 3.33Å; S137-T139 PolarHBondContact O-N 3.42Å; S137-C140 PolarHBondContact O-N 2.68Å; S137-M141 VanDerWaalsContact O-CG 3.32Å; S137-M141 WeakPolarHBondContact O-CG 3.47Å; S137-M141 PolarHBondContact O-N 3.49Å
138A98.8Very high97.8Very high2 Ų222.3 Ų22.32%0.01713%0.125CC..Hα-helixtrans-57.5-46.9178.400000111.7Y134 L136 L142 V176 I180 L253Y134-A138 WeakPolarHBondContact O-CB 3.44Å; Y134-A138 PolarHBondContact O-N 2.99Å; L136-A138 PolarHBondContact O-N 3.31Å; A138-L142 PolarHBondContact O-N 3.39Å; A138-V176 HydrophobicContact CB-CG1 3.59Å; A138-I180 HydrophobicContact CB-CD1 4.5Å; A138-L253 HydrophobicContact CB-CD1 4.14Å
139T98.8Very high97.9Very high0 Ų024 Ų240%013%0.129CC..Hα-helixtrans-65-48.3177.5-50.60000111.1N135 L136 S137 M141 L142 V143 P195 T246 H250N135-T139 WeakPolarHBondContact O-CB 3.25Å; N135-T139 PolarHBondContact O-N 2.91Å; N135-T139 VanDerWaalsContact O-N 3.15Å; N135-T139 PolarHBondContact O-OG1 3.35Å; L136-T139 PolarHBondContact O-N 2.89Å; S137-T139 VanDerWaalsContact C-N 3.33Å; S137-T139 PolarHBondContact O-N 3.42Å; T139-M141 VanDerWaalsContact C-N 3.33Å; T139-M141 PolarHBondContact O-N 3.46Å; T139-L142 PolarHBondContact O-N 3.18Å; T139-V143 HydrophobicContact CG2-CG2 4.23Å; T139-V143 VanDerWaalsContact O-CG2 3.3Å; T139-V143 WeakPolarHBondContact O-CG2 3.48Å; T139-V143 PolarHBondContact O-N 3.43Å; T139-P195 HydrophobicContact CG2-CB 3.75Å; T139-P195 HydrophobicContact CG2-CG 3.74Å; T139-T246 HydrophobicContact CG2-CG2 4.07Å; T139-H250 HydrophobicContact CG2-CB 3.88Å; T139-H250 PolarHBondContact OG1-ND1 2.81Å
140C98.6Very high97.9Very high21 Ų2128.6 Ų28.614%0.14214%0.141CC..Hα-helixtrans-55.3-46.3179.6-720000111.9L136 S137 L142 V143 V144L136-C140 WeakPolarHBondContact O-CB 3.23Å; L136-C140 PolarHBondContact O-N 2.86Å; L136-C140 PolarHBondContact O-SG 3.5Å; S137-C140 PolarHBondContact O-N 2.68Å; C140-L142 PolarHBondContact O-N 2.94Å; C140-V143 PolarHBondContact O-N 3Å; C140-V144 VanDerWaalsContact O-CB 3.28Å; C140-V144 WeakPolarHBondContact O-CB 3.21Å; C140-V144 VanDerWaalsContact O-CG2 3.22Å; C140-V144 WeakPolarHBondContact O-CG2 3.29Å; C140-V144 PolarHBondContact O-N 3.46Å
141M98.7Very high97.8Very high0 Ų030.3 Ų30.30%016%0.155CC..Hα-helixtrans-67.3-35.7-177.8-63.4-41.6-64.900113G97 F98 L101 S137 T139 S145 T172 V176G97-M141 VanDerWaalsContact O-SD 3.38Å; F98-M141 HydrophobicContact CB-CE 4.33Å; F98-M141 PolarHBondContact N-SD 2.91Å; L101-M141 HydrophobicContact CB-CG 4.19Å; L101-M141 HydrophobicContact CB-SD 4.41Å; L101-M141 HydrophobicContact CD1-CG 4.28Å; L101-M141 HydrophobicContact CD2-CG 4.08Å; L101-M141 HydrophobicContact CG-CG 4.41Å; S137-M141 VanDerWaalsContact O-CG 3.32Å; S137-M141 WeakPolarHBondContact O-CG 3.47Å; S137-M141 PolarHBondContact O-N 3.49Å; T139-M141 VanDerWaalsContact C-N 3.33Å; T139-M141 PolarHBondContact O-N 3.46Å; M141-S145 WeakPolarHBondContact O-CB 3.41Å; M141-S145 PolarHBondContact O-N 2.83Å; M141-T172 VanDerWaalsContact CE-CB 3.44Å; M141-T172 HydrophobicContact CE-CG2 3.84Å; M141-T172 WeakPolarHBondContact CE-OG1 3.29Å; M141-V176 HydrophobicContact CB-CG2 4.07Å; M141-V176 HydrophobicContact CG-CG2 4.31Å
142L98.8Very high97.7Very high21 Ų2130.7 Ų30.711%0.1116%0.157CC..Hα-helixtrans-68.8-43.6175.1-173.661.1000111.4A138 T139 C140 S145 V146 P173 C249 M252 L253A138-L142 PolarHBondContact O-N 3.39Å; T139-L142 PolarHBondContact O-N 3.18Å; C140-L142 PolarHBondContact O-N 2.94Å; L142-S145 WeakPolarHBondContact O-CB 3.18Å; L142-S145 PolarHBondContact O-N 2.81Å; L142-V146 WeakPolarHBondContact O-CG2 3.07Å; L142-V146 PolarHBondContact O-N 3.14Å; L142-P173 HydrophobicContact CD1-CB 4.19Å; L142-C249 HydrophobicContact CB-CB 4.3Å; L142-C249 HydrophobicContact CD2-CB 3.87Å; L142-C249 HydrophobicContact CG-CB 4Å; L142-M252 HydrophobicContact CD2-CB 4.34Å; L142-L253 HydrophobicContact CB-CD1 4.41Å; L142-L253 HydrophobicContact CD2-CD1 4.3Å; L142-L253 HydrophobicContact CD2-CD2 3.73Å; L142-L253 HydrophobicContact CD2-CG 3.75Å
143V98.7Very high97.6Very high16 Ų1628.6 Ų28.610%0.09715%0.15CC..Hα-helixtrans-59.9-49.5176.3173.50000111.1T139 C140 S145 V146 V147 T246 C249T139-V143 HydrophobicContact CG2-CG2 4.23Å; T139-V143 VanDerWaalsContact O-CG2 3.3Å; T139-V143 WeakPolarHBondContact O-CG2 3.48Å; T139-V143 PolarHBondContact O-N 3.43Å; C140-V143 PolarHBondContact O-N 3Å; V143-S145 VanDerWaalsContact C-N 3.29Å; V143-S145 PolarHBondContact O-N 3.29Å; V143-V146 PolarHBondContact O-N 3.43Å; V143-V147 HydrophobicContact CG1-CG2 4.24Å; V143-V147 WeakPolarHBondContact O-CG2 3.38Å; V143-V147 PolarHBondContact O-N 3.34Å; V143-T246 HydrophobicContact CG2-CG2 4.37Å; V143-C249 HydrophobicContact CG2-CB 3.62Å
144V97.7Very high97.3Very high20 Ų2033.9 Ų33.912%0.12118%0.179CC..Hα-helixtrans-58.1-42.3179161.30000111.1T94 C140 F148 H169T94-V144 HydrophobicContact CG2-CG1 3.75Å; T94-V144 WeakPolarHBondContact OG1-CG1 3.17Å; C140-V144 VanDerWaalsContact O-CB 3.28Å; C140-V144 WeakPolarHBondContact O-CB 3.21Å; C140-V144 VanDerWaalsContact O-CG2 3.22Å; C140-V144 WeakPolarHBondContact O-CG2 3.29Å; C140-V144 PolarHBondContact O-N 3.46Å; V144-F148 WeakPolarHBondContact O-CB 3.47Å; V144-F148 PolarHBondContact O-N 3.33Å; V144-H169 VanDerWaalsContact CG1-CD2 3.48Å; V144-H169 WeakPolarHBondContact CG1-CD2 3.24Å
145S98.7Very high96.9Very high15 Ų1535.2 Ų35.211%0.10519%0.186CC..Hα-helixtrans-61.3-49.9174.31720000112.3M141 L142 V143 F148 W149 H169M141-S145 WeakPolarHBondContact O-CB 3.41Å; M141-S145 PolarHBondContact O-N 2.83Å; L142-S145 WeakPolarHBondContact O-CB 3.18Å; L142-S145 PolarHBondContact O-N 2.81Å; V143-S145 VanDerWaalsContact C-N 3.29Å; V143-S145 PolarHBondContact O-N 3.29Å; S145-F148 PolarHBondContact O-N 2.93Å; S145-W149 PolarHBondContact O-N 3.49Å; S145-H169 VanDerWaalsContact CB-O 3.22Å; S145-H169 WeakPolarHBondContact CB-O 3.5Å; S145-H169 PolarHBondContact OG-O 2.78Å
146V98.7Very high96.4Very high42 Ų4241 Ų4126%0.25522%0.223SC..Hα-helixtrans-61-51.7-179.21710000110.1L142 V143 F148 W149 F150L142-V146 WeakPolarHBondContact O-CG2 3.07Å; L142-V146 PolarHBondContact O-N 3.14Å; V143-V146 PolarHBondContact O-N 3.43Å; V146-F148 VanDerWaalsContact C-N 3.29Å; V146-F148 PolarHBondContact O-N 3.19Å; V146-W149 PolarHBondContact O-N 3.24Å; V146-F150 HydrophobicContact CG1-CD2 3.87Å; V146-F150 HydrophobicContact CG1-CE2 4.23Å; V146-F150 WeakPolarHBondContact O-CB 3.22Å; V146-F150 VanDerWaalsContact O-CD2 3.28Å; V146-F150 WeakPolarHBondContact O-CD2 3.45Å; V146-F150 PolarHBondContact O-N 2.87Å
147V97.6Very high95.9Very high48 Ų4843.1 Ų43.129%0.29123%0.234SC..Hα-helixtrans-60.4-39.7179.11740000111.5V143 S151V143-V147 HydrophobicContact CG1-CG2 4.24Å; V143-V147 WeakPolarHBondContact O-CG2 3.38Å; V143-V147 PolarHBondContact O-N 3.34Å; V147-S151 WeakPolarHBondContact O-CA 3.41Å; V147-S151 VanDerWaalsContact O-CB 3.31Å; V147-S151 WeakPolarHBondContact O-CB 3.38Å; V147-S151 PolarHBondContact O-N 3.16Å
148F97.5Very high95.1Very high0 Ų048.5 Ų48.50%026%0.263CS..Iπ-helixtrans-60.3-54.7176.8174.9-95.5000111.8V144 S145 V146 F150 L152 S153 F160 S165 Q166 H169V144-F148 WeakPolarHBondContact O-CB 3.47Å; V144-F148 PolarHBondContact O-N 3.33Å; S145-F148 PolarHBondContact O-N 2.93Å; V146-F148 VanDerWaalsContact C-N 3.29Å; V146-F148 PolarHBondContact O-N 3.19Å; F148-F150 VanDerWaalsContact C-N 3.35Å; F148-F150 PolarHBondContact O-N 2.85Å; F148-L152 HydrophobicContact CD2-CB 4.03Å; F148-L152 CarbonylContact O-C 3.54Å; F148-L152 PolarHBondContact O-N 3.48Å; F148-S153 WeakPolarHBondContact O-CB 2.99Å; F148-S153 PolarHBondContact O-N 3.43Å; F148-F160 HydrophobicContact CE2-CB 4.22Å; F148-F160 WeakPolarHBondContact CE2-O 3.25Å; F148-F160 WeakPolarHBondContact CZ-O 3.48Å; F148-S165 VanDerWaalsContact CE2-OG 3.27Å; F148-S165 WeakPolarHBondContact CE2-OG 3.43Å; F148-Q166 HydrophobicContact CE1-CG 4.38Å; F148-Q166 HydrophobicContact CZ-CG 4.18Å; F148-H169 HydrophobicContact CB-CB 3.9Å; F148-H169 WeakPolarHBondContact CB-CD2 3.36Å; F148-H169 HydrophobicContact CD1-CB 3.31Å; F148-H169 AromaticContact CD1-CG 3.62Å; F148-H169 HydrophobicContact CD2-CB 4.2Å; F148-H169 AromaticContact CD2-CD2 3.64Å; F148-H169 AromaticContact CD2-CE1 3.5Å; F148-H169 AromaticContact CD2-CG 3.53Å; F148-H169 AromaticContact CD2-ND1 3.44Å; F148-H169 WeakPolarHBondContact CD2-ND1 3.47Å; F148-H169 AromaticContact CD2-NE2 3.65Å; F148-H169 HydrophobicContact CE1-CB 3.82Å; F148-H169 AromaticContact CE2-CE1 3.82Å; F148-H169 AromaticContact CE2-ND1 3.59Å; F148-H169 HydrophobicContact CG-CB 3.53Å; F148-H169 AromaticContact CG-CD2 3.45Å; F148-H169 VanDerWaalsContact CG-CD2 3.45Å; F148-H169 WeakPolarHBondContact CG-CD2 3.49Å; F148-H169 AromaticContact CG-CG 3.29Å; F148-H169 AromaticContact CG-ND1 3.71Å; F148-H169 AromaticContact CG-NE2 3.96Å; F148-H169 HydrophobicContact CZ-CB 4.45Å; F148-H169 AromaticContact CZ-ND1 3.96Å
149W98Very high94.5Very high101 Ų10149.2 Ų49.238%0.38327%0.269SS..Iπ-helixtrans-67.4-35.4-175-76.2109.2000112.9S145 V146 S153 Q166 S170S145-W149 PolarHBondContact O-N 3.49Å; V146-W149 PolarHBondContact O-N 3.24Å; W149-S153 PolarHBondContact O-OG 3.45Å; W149-Q166 HydrophobicContact CH2-CB 4.07Å; W149-Q166 HydrophobicContact CH2-CG 4.16Å; W149-Q166 HydrophobicContact CZ2-CB 4.2Å; W149-S170 WeakPolarHBondContact CZ2-OG 3.44Å; W149-S170 PolarHBondContact NE1-OG 3.27Å
150F96.1Very high94.1Very high174 Ų17449.5 Ų49.576%0.76327%0.27SS*.Iπ-helixtrans-85.4-21.4-178.9-79.4-89.4000114.6V146 F148V146-F150 HydrophobicContact CG1-CD2 3.87Å; V146-F150 HydrophobicContact CG1-CE2 4.23Å; V146-F150 WeakPolarHBondContact O-CB 3.22Å; V146-F150 VanDerWaalsContact O-CD2 3.28Å; V146-F150 WeakPolarHBondContact O-CD2 3.45Å; V146-F150 PolarHBondContact O-N 2.87Å; F148-F150 VanDerWaalsContact C-N 3.35Å; F148-F150 PolarHBondContact O-N 2.85Å
151S94.3Very high93.7Very high56 Ų5650.4 Ų50.439%0.39228%0.279SS..Iπ-helixtrans-133.5-30.1-170.9-52.60000115.3V147 F226V147-S151 WeakPolarHBondContact O-CA 3.41Å; V147-S151 VanDerWaalsContact O-CB 3.31Å; V147-S151 WeakPolarHBondContact O-CB 3.38Å; V147-S151 PolarHBondContact O-N 3.16Å; S151-F226 VanDerWaalsContact O-CE2 3.31Å; S151-F226 WeakPolarHBondContact O-CE2 3.39Å
152L94Very high93.4Very high8 Ų851.4 Ų51.44%0.04229%0.286CS..Iπ-helixtrans-109.3-23-171.8-57.2175.4000114.1F148 N154 I155 F160 Y224 P225 F226F148-L152 HydrophobicContact CD2-CB 4.03Å; F148-L152 CarbonylContact O-C 3.54Å; F148-L152 PolarHBondContact O-N 3.48Å; L152-N154 VanDerWaalsContact C-N 3.26Å; L152-N154 PolarHBondContact O-N 3.18Å; L152-I155 HydrophobicContact CD2-CD1 3.78Å; L152-I155 WeakPolarHBondContact O-CB 3.41Å; L152-I155 PolarHBondContact O-N 2.95Å; L152-F160 HydrophobicContact CB-CD1 4.38Å; L152-F160 HydrophobicContact CB-CD2 4.46Å; L152-F160 HydrophobicContact CB-CG 4.23Å; L152-F160 HydrophobicContact CD1-CD1 4.41Å; L152-F160 HydrophobicContact CD1-CE1 4.12Å; L152-F160 HydrophobicContact CD1-CZ 4.39Å; L152-F160 HydrophobicContact CD2-CE2 4.27Å; L152-F160 HydrophobicContact CD2-CZ 4.4Å; L152-Y224 HydrophobicContact CD1-CD1 4.14Å; L152-Y224 HydrophobicContact CD1-CE1 4.07Å; L152-P225 HydrophobicContact CD2-CG 4.42Å; L152-F226 HydrophobicContact CD2-CD2 3.98Å; L152-F226 HydrophobicContact CD2-CE2 3.9Å
153S94.7Very high93.2Very high21 Ų2158.3 Ų58.315%0.14731%0.311CS..THydrogen-bonded Turntrans-58.7-31.8-171.359.80000114.5F148 W149F148-S153 WeakPolarHBondContact O-CB 2.99Å; F148-S153 PolarHBondContact O-N 3.43Å; W149-S153 PolarHBondContact O-OG 3.45Å
154N91.6Very high93Very high153 Ų15359.1 Ų59.182%0.81831%0.314SS*.THydrogen-bonded Turntrans-95.21.9-179.5-63.7-48.8000113.6L152L152-N154 VanDerWaalsContact C-N 3.26Å; L152-N154 PolarHBondContact O-N 3.18Å
155I90.3Very high92.9Very high32 Ų3258.2 Ų58.216%0.16431%0.308CS..SBendtrans-79.8124.9179-60.2-176.3000108.8L152 L157 F160 P225 F226L152-I155 HydrophobicContact CD2-CD1 3.78Å; L152-I155 WeakPolarHBondContact O-CB 3.41Å; L152-I155 PolarHBondContact O-N 2.95Å; I155-L157 HydrophobicContact CG2-CB 4.33Å; I155-L157 HydrophobicContact CG2-CD1 3.46Å; I155-L157 VanDerWaalsContact CG2-CD1 3.46Å; I155-L157 HydrophobicContact CG2-CG 3.81Å; I155-L157 PolarHBondContact O-N 3.39Å; I155-F160 HydrophobicContact CB-CD2 4.18Å; I155-F160 HydrophobicContact CG2-CD2 4.18Å; I155-P225 HydrophobicContact CD1-CB 4.47Å; I155-P225 HydrophobicContact CD1-CG 3.65Å; I155-F226 HydrophobicContact CD1-CE2 3.72Å; I155-F226 HydrophobicContact CD1-CZ 4.02Å
156P87Confident92.8Very high123 Ų12361.3 Ų61.380%0.79932%0.321SS*.  trans-79.455.4-175.635-37.8000112
157L85.8Confident92.8Very high51 Ų5161.2 Ų61.227%0.26732%0.32SS..  trans-115.5131.3170.6-66.8160.9000107.9I155 A159 F160 A161 Y218I155-L157 HydrophobicContact CG2-CB 4.33Å; I155-L157 HydrophobicContact CG2-CD1 3.46Å; I155-L157 VanDerWaalsContact CG2-CD1 3.46Å; I155-L157 HydrophobicContact CG2-CG 3.81Å; I155-L157 PolarHBondContact O-N 3.39Å; L157-A159 PolarHBondContact O-N 3.04Å; L157-A159 VanDerWaalsContact O-N 3.08Å; L157-F160 HydrophobicContact CB-CD2 4.01Å; L157-F160 HydrophobicContact CD1-CD2 3.95Å; L157-F160 HydrophobicContact CD1-CE2 3.83Å; L157-F160 CarbonylContact O-C 3.46Å; L157-F160 WeakPolarHBondContact O-CA 3.26Å; L157-F160 PolarHBondContact O-N 3.29Å; L157-A161 WeakPolarHBondContact O-CB 3.26Å; L157-A161 PolarHBondContact O-N 3.4Å; L157-Y218 HydrophobicContact CD1-CE1 4.08Å; L157-Y218 WeakPolarHBondContact CD1-OH 2.87Å; L157-Y218 HydrophobicContact CD2-CE1 4.09Å
158D83.4Confident92.8Very high115 Ų11559 Ų5962%0.61531%0.307SS*.Hα-helixtrans-55-35.3-173.8-71-22.5000113.4H81 F160 S162H81-D158 PolarHBondContact NE2-O 3.49Å; D158-F160 PolarHBondContact O-N 3.31Å; D158-S162 VanDerWaalsContact O-CB 3.27Å; D158-S162 WeakPolarHBondContact O-CB 3.45Å; D158-S162 PolarHBondContact O-N 3.04Å; D158-S162 VanDerWaalsContact O-N 3.15Å; D158-S162 PolarHBondContact O-OG 3.02Å
159A85.5Confident92.8Very high16 Ų1659.2 Ų59.213%0.13231%0.308CS..Hα-helixtrans-56.1-30.2174.400000113.1H81 L157 S165H81-A159 HydrophobicContact CB-CB 4.39Å; L157-A159 PolarHBondContact O-N 3.04Å; L157-A159 VanDerWaalsContact O-N 3.08Å; A159-S165 WeakPolarHBondContact O-CB 3.34Å; A159-S165 PolarHBondContact O-OG 3.42Å
160F90.6Very high92.9Very high6 Ų656.4 Ų56.43%0.02630%0.303CS..Hα-helixtrans-104.6-41.2178.9-53.9-41.6000112.9Y92 F148 L152 I155 L157 D158 S165 Y224 P225Y92-F160 HydrophobicContact CD1-CE1 4.44Å; Y92-F160 AromaticContact CE1-CE1 3.91Å; Y92-F160 HydrophobicContact CE1-CE1 3.91Å; Y92-F160 AromaticContact CE1-CZ 3.94Å; Y92-F160 HydrophobicContact CE1-CZ 3.94Å; F148-F160 HydrophobicContact CE2-CB 4.22Å; F148-F160 WeakPolarHBondContact CE2-O 3.25Å; F148-F160 WeakPolarHBondContact CZ-O 3.48Å; L152-F160 HydrophobicContact CB-CD1 4.38Å; L152-F160 HydrophobicContact CB-CD2 4.46Å; L152-F160 HydrophobicContact CB-CG 4.23Å; L152-F160 HydrophobicContact CD1-CD1 4.41Å; L152-F160 HydrophobicContact CD1-CE1 4.12Å; L152-F160 HydrophobicContact CD1-CZ 4.39Å; L152-F160 HydrophobicContact CD2-CE2 4.27Å; L152-F160 HydrophobicContact CD2-CZ 4.4Å; I155-F160 HydrophobicContact CB-CD2 4.18Å; I155-F160 HydrophobicContact CG2-CD2 4.18Å; L157-F160 HydrophobicContact CB-CD2 4.01Å; L157-F160 HydrophobicContact CD1-CD2 3.95Å; L157-F160 HydrophobicContact CD1-CE2 3.83Å; L157-F160 CarbonylContact O-C 3.46Å; L157-F160 WeakPolarHBondContact O-CA 3.26Å; L157-F160 PolarHBondContact O-N 3.29Å; D158-F160 PolarHBondContact O-N 3.31Å; F160-S165 WeakPolarHBondContact O-CB 3.43Å; F160-S165 PolarHBondContact O-OG 3.49Å; F160-S165 VanDerWaalsContact O-OG 3.08Å; F160-Y224 HydrophobicContact CE1-CD1 4.26Å; F160-Y224 HydrophobicContact CE1-CE1 4.04Å; F160-Y224 AromaticContact CZ-CD1 3.82Å; F160-Y224 HydrophobicContact CZ-CD1 3.82Å; F160-Y224 HydrophobicContact CZ-CE1 4.07Å; F160-P225 HydrophobicContact CE2-CG 4.16Å
161A90Very high93Very high40 Ų4051.3 Ų51.333%0.33128%0.284SS..Hα-helixtrans-76.6-22.4-171.900000114.1L157 Q166L157-A161 WeakPolarHBondContact O-CB 3.26Å; L157-A161 PolarHBondContact O-N 3.4Å; A161-Q166 PolarHBondContact O-NE2 2.94Å
162S92.7Very high93.2Very high21 Ų2148.7 Ų48.715%0.14727%0.265CS..SBendtrans-61.8144.5-177.560.90000113.1R76 D158 Q164 S165 Q166R76-S162 PolarHBondContact NH1-OG 3.43Å; D158-S162 VanDerWaalsContact O-CB 3.27Å; D158-S162 WeakPolarHBondContact O-CB 3.45Å; D158-S162 PolarHBondContact O-N 3.04Å; D158-S162 VanDerWaalsContact O-N 3.15Å; D158-S162 PolarHBondContact O-OG 3.02Å; S162-Q164 PolarHBondContact O-N 2.85Å; S162-S165 WeakPolarHBondContact O-CA 3.45Å; S162-S165 VanDerWaalsContact O-CB 3.27Å; S162-S165 WeakPolarHBondContact O-CB 3.46Å; S162-S165 PolarHBondContact O-N 3.37Å; S162-S165 WeakPolarHBondContact OG-CB 3.5Å; S162-S165 PolarHBondContact OG-N 3.41Å; S162-Q166 PolarHBondContact O-N 2.99Å; S162-Q166 VanDerWaalsContact O-N 3.11Å
163W94.1Very high93.4Very high166 Ų16648.8 Ų48.863%0.62927%0.266SS*.Hα-helixtrans-58.1-35.1179.395.9-87.8000111.9S165 Q166 V167W163-S165 VanDerWaalsContact C-N 3.32Å; W163-S165 PolarHBondContact O-N 2.73Å; W163-Q166 WeakPolarHBondContact O-CB 3.38Å; W163-Q166 PolarHBondContact O-N 3.46Å; W163-V167 HydrophobicContact CD2-CG2 4.14Å; W163-V167 HydrophobicContact CE3-CG2 3.2Å; W163-V167 HydrophobicContact CH2-CG2 3.84Å; W163-V167 HydrophobicContact CZ3-CB 4.33Å; W163-V167 HydrophobicContact CZ3-CG2 3.05Å; W163-V167 WeakPolarHBondContact O-CG2 3.47Å; W163-V167 PolarHBondContact O-N 2.8Å
164Q95Very high93.6Very high34 Ų3452 Ų5216%0.15928%0.281CS..Hα-helixtrans-65.6-35.5175.7-63.389.8-1500112.1R76 S162 V167 K168R76-Q164 VanDerWaalsContact CZ-CB 3.48Å; S162-Q164 PolarHBondContact O-N 2.85Å; Q164-V167 PolarHBondContact O-N 3.36Å; Q164-K168 WeakPolarHBondContact O-CB 3.07Å; Q164-K168 PolarHBondContact O-N 2.96Å
165S95.4Very high93.9Very high0 Ų046.1 Ų46.10%025%0.249CC..Hα-helixtrans-62.4-46.6172172.60000110F148 A159 F160 S162 W163 V167 K168 H169F148-S165 VanDerWaalsContact CE2-OG 3.27Å; F148-S165 WeakPolarHBondContact CE2-OG 3.43Å; A159-S165 WeakPolarHBondContact O-CB 3.34Å; A159-S165 PolarHBondContact O-OG 3.42Å; F160-S165 WeakPolarHBondContact O-CB 3.43Å; F160-S165 PolarHBondContact O-OG 3.49Å; F160-S165 VanDerWaalsContact O-OG 3.08Å; S162-S165 WeakPolarHBondContact O-CA 3.45Å; S162-S165 VanDerWaalsContact O-CB 3.27Å; S162-S165 WeakPolarHBondContact O-CB 3.46Å; S162-S165 PolarHBondContact O-N 3.37Å; S162-S165 WeakPolarHBondContact OG-CB 3.5Å; S162-S165 PolarHBondContact OG-N 3.41Å; W163-S165 VanDerWaalsContact C-N 3.32Å; W163-S165 PolarHBondContact O-N 2.73Å; S165-V167 VanDerWaalsContact C-N 3.31Å; S165-V167 PolarHBondContact O-N 3.44Å; S165-K168 PolarHBondContact O-N 3.27Å; S165-H169 PolarHBondContact O-N 3.21Å; S165-H169 PolarHBondContact O-ND1 3.24Å; S165-H169 PolarHBondContact OG-CE1 3.25Å; S165-H169 PolarHBondContact OG-ND1 3.02Å
166Q96.7Very high94.3Very high80 Ų8044.8 Ų44.837%0.37424%0.242SC..Hα-helixtrans-58.8-43.1176.6-60.6175.422.300111.6F148 W149 A161 S162 W163 H169 S170F148-Q166 HydrophobicContact CE1-CG 4.38Å; F148-Q166 HydrophobicContact CZ-CG 4.18Å; W149-Q166 HydrophobicContact CH2-CB 4.07Å; W149-Q166 HydrophobicContact CH2-CG 4.16Å; W149-Q166 HydrophobicContact CZ2-CB 4.2Å; A161-Q166 PolarHBondContact O-NE2 2.94Å; S162-Q166 PolarHBondContact O-N 2.99Å; S162-Q166 VanDerWaalsContact O-N 3.11Å; W163-Q166 WeakPolarHBondContact O-CB 3.38Å; W163-Q166 PolarHBondContact O-N 3.46Å; Q166-H169 PolarHBondContact O-N 3.48Å; Q166-S170 WeakPolarHBondContact O-CB 3.36Å; Q166-S170 PolarHBondContact O-N 3.21Å; Q166-S170 PolarHBondContact O-OG 3.34Å
167V98.1Very high94.9Very high40 Ų4041.1 Ų41.124%0.24222%0.218CC..Hα-helixtrans-64.4-44.3176.3176.80000111.9W69 W163 Q164 S165 H169 S170 L171W69-V167 HydrophobicContact CH2-CG1 4.35Å; W69-V167 HydrophobicContact CZ2-CG1 3.99Å; W163-V167 HydrophobicContact CD2-CG2 4.14Å; W163-V167 HydrophobicContact CE3-CG2 3.2Å; W163-V167 HydrophobicContact CH2-CG2 3.84Å; W163-V167 HydrophobicContact CZ3-CB 4.33Å; W163-V167 HydrophobicContact CZ3-CG2 3.05Å; W163-V167 WeakPolarHBondContact O-CG2 3.47Å; W163-V167 PolarHBondContact O-N 2.8Å; Q164-V167 PolarHBondContact O-N 3.36Å; S165-V167 VanDerWaalsContact C-N 3.31Å; S165-V167 PolarHBondContact O-N 3.44Å; V167-H169 VanDerWaalsContact C-N 3.32Å; V167-H169 PolarHBondContact O-N 3.48Å; V167-S170 PolarHBondContact O-N 2.91Å; V167-L171 HydrophobicContact CG1-CB 4.27Å; V167-L171 HydrophobicContact CG1-CD2 4.33Å; V167-L171 VanDerWaalsContact O-CB 3.27Å; V167-L171 WeakPolarHBondContact O-CB 3.2Å; V167-L171 PolarHBondContact O-N 3.34Å
168K98Very high95.5Very high3 Ų342.6 Ų42.61%0.01323%0.225CC..Hα-helixtrans-54.9-51.2175-179165.362-179.80109.9W69 D73 E77 T94 N95 F98 Q164 S165 S170 T172W69-K168 HydrophobicContact CZ2-CB 4.18Å; D73-K168 IonicContact OD1-NZ 3.31Å; D73-K168 PolarHBondContact OD1-NZ 3.3Å; D73-K168 IonicContact OD2-NZ 2.8Å; D73-K168 PolarHBondContact OD2-NZ 2.99Å; E77-K168 VanDerWaalsContact CD-NZ 3.26Å; E77-K168 IonicContact OE1-NZ 3.5Å; E77-K168 PolarHBondContact OE1-NZ 3.09Å; E77-K168 IonicContact OE2-NZ 3.67Å; E77-K168 PolarHBondContact OE2-NZ 3.01Å; T94-K168 HydrophobicContact CG2-CD 4.29Å; N95-K168 PolarHBondContact OD1-NZ 2.8Å; F98-K168 HydrophobicContact CD1-CD 4.14Å; F98-K168 HydrophobicContact CE1-CD 4.46Å; Q164-K168 WeakPolarHBondContact O-CB 3.07Å; Q164-K168 PolarHBondContact O-N 2.96Å; S165-K168 PolarHBondContact O-N 3.27Å; K168-S170 PolarHBondContact O-N 3.32Å; K168-T172 WeakPolarHBondContact O-CG2 3.37Å; K168-T172 PolarHBondContact O-N 3.47Å; K168-T172 PolarHBondContact O-OG1 3.21Å
169H98.1Very high96.2Very high4 Ų437.1 Ų37.12%0.01920%0.196CC..Hα-helixtrans-75.7-16.9-176.8-63.492.4000114.5T94 V144 S145 F148 S165 Q166 V167 P173T94-H169 VanDerWaalsContact CG2-NE2 3.28Å; T94-H169 WeakPolarHBondContact CG2-NE2 3.4Å; T94-H169 PolarHBondContact OG1-NE2 3.11Å; V144-H169 VanDerWaalsContact CG1-CD2 3.48Å; V144-H169 WeakPolarHBondContact CG1-CD2 3.24Å; S145-H169 VanDerWaalsContact CB-O 3.22Å; S145-H169 WeakPolarHBondContact CB-O 3.5Å; S145-H169 PolarHBondContact OG-O 2.78Å; F148-H169 HydrophobicContact CB-CB 3.9Å; F148-H169 WeakPolarHBondContact CB-CD2 3.36Å; F148-H169 HydrophobicContact CD1-CB 3.31Å; F148-H169 AromaticContact CD1-CG 3.62Å; F148-H169 HydrophobicContact CD2-CB 4.2Å; F148-H169 AromaticContact CD2-CD2 3.64Å; F148-H169 AromaticContact CD2-CE1 3.5Å; F148-H169 AromaticContact CD2-CG 3.53Å; F148-H169 AromaticContact CD2-ND1 3.44Å; F148-H169 WeakPolarHBondContact CD2-ND1 3.47Å; F148-H169 AromaticContact CD2-NE2 3.65Å; F148-H169 HydrophobicContact CE1-CB 3.82Å; F148-H169 AromaticContact CE2-CE1 3.82Å; F148-H169 AromaticContact CE2-ND1 3.59Å; F148-H169 HydrophobicContact CG-CB 3.53Å; F148-H169 AromaticContact CG-CD2 3.45Å; F148-H169 VanDerWaalsContact CG-CD2 3.45Å; F148-H169 WeakPolarHBondContact CG-CD2 3.49Å; F148-H169 AromaticContact CG-CG 3.29Å; F148-H169 AromaticContact CG-ND1 3.71Å; F148-H169 AromaticContact CG-NE2 3.96Å; F148-H169 HydrophobicContact CZ-CB 4.45Å; F148-H169 AromaticContact CZ-ND1 3.96Å; S165-H169 PolarHBondContact O-N 3.21Å; S165-H169 PolarHBondContact O-ND1 3.24Å; S165-H169 PolarHBondContact OG-CE1 3.25Å; S165-H169 PolarHBondContact OG-ND1 3.02Å; Q166-H169 PolarHBondContact O-N 3.48Å; V167-H169 VanDerWaalsContact C-N 3.32Å; V167-H169 PolarHBondContact O-N 3.48Å; H169-P173 WeakPolarHBondContact O-CD 2.98Å; H169-P173 WeakPolarHBondContact O-CG 3.09Å
170S98.5Very high96.8Very high41 Ų4136.3 Ų36.329%0.28719%0.189SC..Hα-helixtrans-94.2-47.3173.7-72.10000113.8W149 Q166 V167 K168 P173 I174W149-S170 WeakPolarHBondContact CZ2-OG 3.44Å; W149-S170 PolarHBondContact NE1-OG 3.27Å; Q166-S170 WeakPolarHBondContact O-CB 3.36Å; Q166-S170 PolarHBondContact O-N 3.21Å; Q166-S170 PolarHBondContact O-OG 3.34Å; V167-S170 PolarHBondContact O-N 2.91Å; K168-S170 PolarHBondContact O-N 3.32Å; S170-P173 VanDerWaalsContact O-CD 3.29Å; S170-P173 WeakPolarHBondContact O-CD 3.32Å; S170-P173 WeakPolarHBondContact O-CG 3.22Å; S170-I174 WeakPolarHBondContact O-CD1 3.35Å; S170-I174 WeakPolarHBondContact O-CG1 3.44Å; S170-I174 PolarHBondContact O-N 3.07Å
171L98.6Very high97.1Very high68 Ų6838.3 Ų38.336%0.35620%0.204SC..Hα-helixtrans-79.7-33.7-169179.264.4000111.9W69 V167 I174 L175W69-L171 HydrophobicContact CH2-CB 3.81Å; W69-L171 HydrophobicContact CH2-CD2 3.84Å; W69-L171 HydrophobicContact CH2-CG 4.01Å; W69-L171 HydrophobicContact CZ3-CB 4.33Å; W69-L171 HydrophobicContact CZ3-CD2 3.81Å; W69-L171 HydrophobicContact CZ3-CG 4.03Å; V167-L171 HydrophobicContact CG1-CB 4.27Å; V167-L171 HydrophobicContact CG1-CD2 4.33Å; V167-L171 VanDerWaalsContact O-CB 3.27Å; V167-L171 WeakPolarHBondContact O-CB 3.2Å; V167-L171 PolarHBondContact O-N 3.34Å; L171-I174 PolarHBondContact O-N 2.93Å; L171-L175 HydrophobicContact CD1-CG 4.25Å; L171-L175 HydrophobicContact CG-CD1 4.2Å; L171-L175 HydrophobicContact CG-CG 4.29Å; L171-L175 VanDerWaalsContact O-CG 3.3Å; L171-L175 WeakPolarHBondContact O-CG 3.39Å; L171-L175 PolarHBondContact O-N 2.84Å
172T98.6Very high97.4Very high1 Ų138.7 Ų38.71%0.00620%0.2CC..Hα-helixtrans-63.2-47.4177.559.60000114.6W69 F98 L101 M141 K168 I174 L175 V176W69-T172 HydrophobicContact CH2-CG2 3.72Å; W69-T172 HydrophobicContact CZ3-CG2 3.85Å; F98-T172 HydrophobicContact CD2-CG2 4.03Å; F98-T172 HydrophobicContact CE2-CG2 4.06Å; L101-T172 HydrophobicContact CD2-CG2 4.14Å; M141-T172 VanDerWaalsContact CE-CB 3.44Å; M141-T172 HydrophobicContact CE-CG2 3.84Å; M141-T172 WeakPolarHBondContact CE-OG1 3.29Å; K168-T172 WeakPolarHBondContact O-CG2 3.37Å; K168-T172 PolarHBondContact O-N 3.47Å; K168-T172 PolarHBondContact O-OG1 3.21Å; T172-I174 VanDerWaalsContact C-N 3.28Å; T172-I174 PolarHBondContact O-N 3.16Å; T172-L175 PolarHBondContact O-N 2.93Å; T172-V176 WeakPolarHBondContact O-CG2 3.38Å; T172-V176 PolarHBondContact O-N 2.91Å
173P98.6Very high97.5Very high9 Ų937.7 Ų37.76%0.05819%0.193CC..Hα-helixtrans-65.8-31.2174.632.9-42.8000112.1L142 H169 S170 V176 V177L142-P173 HydrophobicContact CD1-CB 4.19Å; H169-P173 WeakPolarHBondContact O-CD 2.98Å; H169-P173 WeakPolarHBondContact O-CG 3.09Å; S170-P173 VanDerWaalsContact O-CD 3.29Å; S170-P173 WeakPolarHBondContact O-CD 3.32Å; S170-P173 WeakPolarHBondContact O-CG 3.22Å; P173-V176 WeakPolarHBondContact O-CB 3.4Å; P173-V176 PolarHBondContact O-N 3.19Å; P173-V177 WeakPolarHBondContact O-CG2 3.3Å; P173-V177 PolarHBondContact O-N 3.03Å
174I98.8Very high97.5Very high89 Ų8929.8 Ų29.846%0.45616%0.163SC..Hα-helixtrans-63.1-46.6174.5-71.4168.9000110.1S170 L171 T172 V176 V177 I178S170-I174 WeakPolarHBondContact O-CD1 3.35Å; S170-I174 WeakPolarHBondContact O-CG1 3.44Å; S170-I174 PolarHBondContact O-N 3.07Å; L171-I174 PolarHBondContact O-N 2.93Å; T172-I174 VanDerWaalsContact C-N 3.28Å; T172-I174 PolarHBondContact O-N 3.16Å; I174-V176 VanDerWaalsContact C-N 3.3Å; I174-V176 PolarHBondContact O-N 3.45Å; I174-V177 PolarHBondContact O-N 3.44Å; I174-I178 HydrophobicContact CG2-CD1 3.73Å; I174-I178 HydrophobicContact CG2-CG1 4.37Å; I174-I178 WeakPolarHBondContact O-CB 3.3Å; I174-I178 VanDerWaalsContact O-CG1 3.31Å; I174-I178 WeakPolarHBondContact O-CG1 3.39Å; I174-I178 PolarHBondContact O-N 3.45Å
175L98.7Very high97.5Very high29 Ų2928.2 Ų28.215%0.15216%0.156CC..Hα-helixtrans-60.1-40.1175.5-69.8173.6000111.7L62 L65 L66 W69 L171 T172 I178 D179L62-L175 HydrophobicContact CD1-CD1 4.21Å; L62-L175 HydrophobicContact CD1-CD2 4.16Å; L65-L175 HydrophobicContact CD2-CD1 4.48Å; L66-L175 HydrophobicContact CD2-CD1 4.3Å; W69-L175 HydrophobicContact CZ3-CD1 4.2Å; L171-L175 HydrophobicContact CD1-CG 4.25Å; L171-L175 HydrophobicContact CG-CD1 4.2Å; L171-L175 HydrophobicContact CG-CG 4.29Å; L171-L175 VanDerWaalsContact O-CG 3.3Å; L171-L175 WeakPolarHBondContact O-CG 3.39Å; L171-L175 PolarHBondContact O-N 2.84Å; T172-L175 PolarHBondContact O-N 2.93Å; L175-I178 PolarHBondContact O-N 2.94Å; L175-D179 WeakPolarHBondContact O-CB 3.46Å; L175-D179 PolarHBondContact O-N 3.42Å
176V98.8Very high97.3Very high4 Ų428.3 Ų28.32%0.02416%0.156CC..Hα-helixtrans-60-48.9173.7165.70000111.5L101 A138 M141 T172 P173 I174 D179 I180 L253L101-V176 HydrophobicContact CD1-CG2 3.7Å; A138-V176 HydrophobicContact CB-CG1 3.59Å; M141-V176 HydrophobicContact CB-CG2 4.07Å; M141-V176 HydrophobicContact CG-CG2 4.31Å; T172-V176 WeakPolarHBondContact O-CG2 3.38Å; T172-V176 PolarHBondContact O-N 2.91Å; P173-V176 WeakPolarHBondContact O-CB 3.4Å; P173-V176 PolarHBondContact O-N 3.19Å; I174-V176 VanDerWaalsContact C-N 3.3Å; I174-V176 PolarHBondContact O-N 3.45Å; V176-D179 PolarHBondContact O-N 3.47Å; V176-I180 HydrophobicContact CG1-CD1 3.94Å; V176-I180 WeakPolarHBondContact O-CG1 3.4Å; V176-I180 PolarHBondContact O-N 2.79Å; V176-L253 HydrophobicContact CG1-CD2 4.24Å
177V98.7Very high97.1Very high47 Ų4724.5 Ų24.529%0.28514%0.139SC..Hα-helixtrans-64.1-43.6-179.8170.30000111.3P173 I174 D179 I180 C181 L253 I256P173-V177 WeakPolarHBondContact O-CG2 3.3Å; P173-V177 PolarHBondContact O-N 3.03Å; I174-V177 PolarHBondContact O-N 3.44Å; V177-D179 VanDerWaalsContact C-N 3.32Å; V177-D179 PolarHBondContact O-N 3.2Å; V177-I180 PolarHBondContact O-N 2.86Å; V177-C181 PolarHBondContact O-N 3.49Å; V177-C181 PolarHBondContact O-SG 2.79Å; V177-C181 VanDerWaalsContact O-SG 3.33Å; V177-L253 HydrophobicContact CG2-CD2 4.5Å; V177-I256 HydrophobicContact CG1-CD1 4.23Å; V177-I256 HydrophobicContact CG2-CD1 4.08Å
178I98.4Very high96.8Very high81 Ų8123.9 Ų23.942%0.41513%0.132SC..Hα-helixtrans-58.4-46.4174.4-70.5170.8000110.2I174 L175 C181 L182I174-I178 HydrophobicContact CG2-CD1 3.73Å; I174-I178 HydrophobicContact CG2-CG1 4.37Å; I174-I178 WeakPolarHBondContact O-CB 3.3Å; I174-I178 VanDerWaalsContact O-CG1 3.31Å; I174-I178 WeakPolarHBondContact O-CG1 3.39Å; I174-I178 PolarHBondContact O-N 3.45Å; L175-I178 PolarHBondContact O-N 2.94Å; I178-C181 WeakPolarHBondContact O-CB 3.47Å; I178-C181 PolarHBondContact O-N 3.19Å; I178-L182 HydrophobicContact CG2-CD1 3.72Å; I178-L182 HydrophobicContact CG2-CG 4.35Å; I178-L182 WeakPolarHBondContact O-CG 3.34Å; I178-L182 PolarHBondContact O-N 3.16Å
179D98.6Very high96.4Very high0 Ų026.3 Ų26.30%014%0.144CC..Hα-helixtrans-66-41.9-178.4-166.770.2000112.7Y58 R59 H105 Y134 L175 V176 V177 C181 L182 C183Y58-D179 VanDerWaalsContact CE1-OD1 3.3Å; Y58-D179 WeakPolarHBondContact CE1-OD1 3.29Å; Y58-D179 PolarHBondContact OH-OD1 3.21Å; R59-D179 IonicContact CZ-OD1 2.91Å; R59-D179 IonicContact CZ-OD2 3.99Å; R59-D179 IonicContact NH1-OD1 3.38Å; R59-D179 PolarHBondContact NH1-OD1 3.42Å; R59-D179 IonicContact NH1-OD2 3.65Å; R59-D179 PolarHBondContact NH1-OD2 3.3Å; R59-D179 IonicContact NH2-OD2 2.76Å; H105-D179 IonicContact CE1-OD2 3.71Å; Y134-D179 VanDerWaalsContact CE2-OD2 3.22Å; Y134-D179 WeakPolarHBondContact CE2-OD2 3.18Å; Y134-D179 PolarHBondContact OH-OD2 3.44Å; L175-D179 WeakPolarHBondContact O-CB 3.46Å; L175-D179 PolarHBondContact O-N 3.42Å; V176-D179 PolarHBondContact O-N 3.47Å; V177-D179 VanDerWaalsContact C-N 3.32Å; V177-D179 PolarHBondContact O-N 3.2Å; D179-C181 VanDerWaalsContact C-N 3.28Å; D179-C181 PolarHBondContact O-N 2.91Å; D179-L182 PolarHBondContact O-N 2.99Å; D179-L182 VanDerWaalsContact O-N 3.09Å; D179-C183 PolarHBondContact O-N 3.4Å; D179-C183 PolarHBondContact O-SG 2.87Å
180I98Very high96Very high0 Ų027.3 Ų27.30%015%0.149CC..Hα-helixtrans-57.1-46.6173.3-71.8170.5000109.2Y134 A138 V176 V177 L182 L253 I256 R260Y134-I180 HydrophobicContact CE1-CG1 4.46Å; Y134-I180 WeakPolarHBondContact OH-CG1 3.38Å; A138-I180 HydrophobicContact CB-CD1 4.5Å; V176-I180 HydrophobicContact CG1-CD1 3.94Å; V176-I180 WeakPolarHBondContact O-CG1 3.4Å; V176-I180 PolarHBondContact O-N 2.79Å; V177-I180 PolarHBondContact O-N 2.86Å; I180-L182 VanDerWaalsContact C-N 3.27Å; I180-L182 PolarHBondContact O-N 3.47Å; I180-L253 HydrophobicContact CD1-CB 4.18Å; I180-L253 HydrophobicContact CD1-CD2 3.62Å; I180-L253 HydrophobicContact CD1-CG 4.33Å; I180-I256 HydrophobicContact CG2-CG2 3.87Å; I180-R260 WeakPolarHBondContact O-CD 3.46Å; I180-R260 PolarHBondContact O-NH1 3.31Å
181C96.8Very high95.9Very high48 Ų4825.3 Ų25.332%0.32414%0.135SC..Hα-helixtrans-63.1-28.5178-72.30000113.7W47 V177 I178 D179W47-C181 PolarHBondContact NE1-O 3.35Å; V177-C181 PolarHBondContact O-N 3.49Å; V177-C181 PolarHBondContact O-SG 2.79Å; V177-C181 VanDerWaalsContact O-SG 3.33Å; I178-C181 WeakPolarHBondContact O-CB 3.47Å; I178-C181 PolarHBondContact O-N 3.19Å; D179-C181 VanDerWaalsContact C-N 3.28Å; D179-C181 PolarHBondContact O-N 2.91Å
182L95.4Very high95.7Very high47 Ų4723.1 Ų23.125%0.24613%0.125CC..Hα-helixtrans-92.6-42.6-175.5-71.5175.6000114.3S45 Q46 Y58 I178 D179 I180S45-L182 WeakPolarHBondContact CA-O 3.26Å; S45-L182 WeakPolarHBondContact CB-O 3.34Å; S45-L182 PolarHBondContact OG-O 3.39Å; Q46-L182 PolarHBondContact N-O 3.3Å; Y58-L182 HydrophobicContact CE1-CD1 4.44Å; Y58-L182 HydrophobicContact CE2-CD1 3.99Å; I178-L182 HydrophobicContact CG2-CD1 3.72Å; I178-L182 HydrophobicContact CG2-CG 4.35Å; I178-L182 WeakPolarHBondContact O-CG 3.34Å; I178-L182 PolarHBondContact O-N 3.16Å; D179-L182 PolarHBondContact O-N 2.99Å; D179-L182 VanDerWaalsContact O-N 3.09Å; I180-L182 VanDerWaalsContact C-N 3.27Å; I180-L182 PolarHBondContact O-N 3.47Å
183C95.5Very high95.6Very high0 Ų026.4 Ų26.40%014%0.141CC..BIsolated β-bridgetrans-82.6160.1-173.875.90000112.3F55 Y134 D179 I185 R260F55-C183 HydrophobicContact CE2-CB 4.15Å; F55-C183 HydrophobicContact CZ-CB 3.8Å; Y134-C183 PolarHBondContact OH-SG 3.36Å; D179-C183 PolarHBondContact O-N 3.4Å; D179-C183 PolarHBondContact O-SG 2.87Å; C183-I185 VanDerWaalsContact C-N 3.32Å; C183-I185 HydrophobicContact CB-CG1 4.39Å; C183-R260 PolarHBondContact O-NE 3.27Å; C183-R260 PolarHBondContact O-NH1 3.34Å
184A94Very high95.5Very high1 Ų128.2 Ų28.21%0.00815%0.147CC..  trans-87.5-0.7174.300000113.1D41 K44 R260D41-A184 HydrophobicContact CB-CB 3.71Å; D41-A184 WeakPolarHBondContact O-CB 3.49Å; K44-A184 WeakPolarHBondContact O-CB 3.2Å; K44-A184 PolarHBondContact O-N 3.15Å; K44-A184 VanDerWaalsContact O-N 3.08Å; A184-R260 PolarHBondContact O-NH2 2.89Å
185I94.9Very high95.4Very high1 Ų124.2 Ų24.21%0.00513%0.127CC..  trans-60.3130.3-177.5-59.2174.7000109.7F42 L108 Y134 C183 R260F42-I185 HydrophobicContact CD1-CD1 4.19Å; F42-I185 HydrophobicContact CD1-CG1 3.94Å; F42-I185 HydrophobicContact CD1-CG2 4.19Å; F42-I185 HydrophobicContact CE1-CG1 4.32Å; F42-I185 HydrophobicContact CE1-CG2 3.71Å; F42-I185 HydrophobicContact CZ-CG2 4.43Å; L108-I185 HydrophobicContact CD1-CD1 4.17Å; L108-I185 HydrophobicContact CD2-CD1 3.59Å; Y134-I185 HydrophobicContact CD1-CB 4.34Å; Y134-I185 HydrophobicContact CD1-CG2 3.57Å; Y134-I185 HydrophobicContact CD2-CD1 4.32Å; Y134-I185 HydrophobicContact CE1-CB 4.1Å; Y134-I185 HydrophobicContact CE1-CG2 3.8Å; Y134-I185 HydrophobicContact CE2-CD1 4.34Å; Y134-I185 HydrophobicContact CG-CD1 4.43Å; Y134-I185 HydrophobicContact CG-CG2 4.22Å; C183-I185 VanDerWaalsContact C-N 3.32Å; C183-I185 HydrophobicContact CB-CG1 4.39Å; I185-R260 PolarHBondContact O-NH1 3.35Å; I185-R260 PolarHBondContact O-NH2 3.41Å
186P92.1Very high95.4Very high1 Ų123.8 Ų23.81%0.00613%0.126CC..  trans-74.1144.2177.527-34.1000112.7F42 W131 Y257F42-P186 HydrophobicContact CZ-CG 4.45Å; W131-P186 HydrophobicContact CH2-CG 4.02Å; W131-P186 HydrophobicContact CZ2-CB 4Å; W131-P186 HydrophobicContact CZ2-CG 3.33Å; W131-P186 PolarHBondContact NE1-O 3.26Å; P186-Y257 HydrophobicContact CB-CE2 4.1Å
187M92.6Very high95.4Very high1 Ų127.9 Ų27.91%0.00515%0.148CC..  trans-118.8102.6173-177.466.4-109.400106.8N135 H250 L253 Y254 Y257N135-M187 HydrophobicContact CB-CE 3.9Å; N135-M187 HydrophobicContact CB-SD 4.37Å; N135-M187 WeakPolarHBondContact OD1-CE 3.36Å; N135-M187 PolarHBondContact OD1-SD 3.02Å; N135-M187 VanDerWaalsContact OD1-SD 3.36Å; M187-H250 WeakPolarHBondContact CE-CE1 3.35Å; M187-H250 VanDerWaalsContact CE-NE2 3.26Å; M187-H250 WeakPolarHBondContact CE-NE2 3.48Å; M187-L253 HydrophobicContact CG-CB 4.12Å; M187-L253 HydrophobicContact SD-CB 4.43Å; M187-Y254 VanDerWaalsContact O-CD2 3.28Å; M187-Y254 WeakPolarHBondContact O-CD2 3.4Å; M187-Y257 HydrophobicContact CB-CD1 4.3Å; M187-Y257 HydrophobicContact CB-CD2 4.29Å; M187-Y257 HydrophobicContact CB-CG 3.83Å; M187-Y257 WeakPolarHBondContact O-CD1 3.46Å; M187-Y257 WeakPolarHBondContact O-CE1 3.34Å
188R90.3Very high95.3Very high27 Ų2727.2 Ų27.210%0.10214%0.143CC..  trans-96.4134.9-173.9-61.8-171.9165.9156.3-0.3111.3E26 H35 W131 I190 H191 H250E26-R188 VanDerWaalsContact OE2-CD 3.26Å; E26-R188 WeakPolarHBondContact OE2-CD 3.31Å; E26-R188 VanDerWaalsContact OE2-CG 3.25Å; E26-R188 WeakPolarHBondContact OE2-CG 3.24Å; E26-R188 IonicContact OE2-CZ 3.29Å; E26-R188 IonicContact OE2-NE 3.67Å; E26-R188 PolarHBondContact OE2-NE 2.94Å; E26-R188 IonicContact OE2-NH2 3.35Å; H35-R188 PolarHBondContact O-NH1 3.04Å; H35-R188 PolarHBondContact O-NH2 3.35Å; W131-R188 VanDerWaalsContact CH2-NH1 3.32Å; W131-R188 HydrophobicContact CZ2-CG 4.05Å; R188-I190 HydrophobicContact CB-CG2 4.19Å; R188-I190 PolarHBondContact O-N 3.44Å; R188-H191 WeakPolarHBondContact O-CB 3.34Å; R188-H191 PolarHBondContact O-N 2.94Å; R188-H191 VanDerWaalsContact O-N 3.09Å; R188-H250 PolarHBondContact O-NE2 2.8Å
189M89.9Confident95.3Very high54 Ų5424.7 Ų24.727%0.26614%0.138SC..G310 helixtrans-58.5-34.6178.1-172.861.3-160.800112.5H191 V192 I247 A251 Y254M189-H191 PolarHBondContact O-N 3.27Å; M189-V192 VanDerWaalsContact O-CB 3.31Å; M189-V192 WeakPolarHBondContact O-CB 3.17Å; M189-V192 VanDerWaalsContact O-CG1 3.24Å; M189-V192 WeakPolarHBondContact O-CG1 3.22Å; M189-V192 PolarHBondContact O-N 3.31Å; M189-I247 HydrophobicContact CE-CG2 4.5Å; M189-A251 HydrophobicContact CE-CB 3.94Å; M189-A251 HydrophobicContact SD-CB 4Å; M189-Y254 HydrophobicContact CB-CD1 4.32Å; M189-Y254 HydrophobicContact CB-CD2 3.89Å; M189-Y254 HydrophobicContact CB-CE2 4.18Å; M189-Y254 HydrophobicContact CB-CG 3.97Å; M189-Y254 HydrophobicContact SD-CG 4.48Å
190I91.2Very high95.3Very high24 Ų2429.4 Ų29.412%0.12316%0.163CC..G310 helixtrans-66.8-22.3-179.1-161.6168.3000113.6S28 G31 L32 R188 V192S28-I190 VanDerWaalsContact C-CD1 3.5Å; S28-I190 WeakPolarHBondContact O-CD1 3.35Å; G31-I190 WeakPolarHBondContact O-CG2 3.49Å; L32-I190 HydrophobicContact CD2-CD1 3.89Å; L32-I190 HydrophobicContact CD2-CG1 3.69Å; L32-I190 HydrophobicContact CG-CD1 3.71Å; L32-I190 HydrophobicContact CG-CG1 4.09Å; R188-I190 HydrophobicContact CB-CG2 4.19Å; R188-I190 PolarHBondContact O-N 3.44Å; I190-V192 PolarHBondContact O-N 3.04Å; I190-V192 VanDerWaalsContact O-N 3.14Å
191H94.5Very high95.3Very high0 Ų034.1 Ų34.10%019%0.187CC..G310 helixtrans-71.7-2.3176.4-65.4164.7000113.3G31 F34 W131 N135 R188 M189 I193 Y194 P195G31-H191 PolarHBondContact O-NE2 2.92Å; F34-H191 AromaticContact CD1-CE1 3.86Å; F34-H191 AromaticContact CE1-CE1 3.53Å; F34-H191 AromaticContact CE1-ND1 3.83Å; F34-H191 AromaticContact CE1-NE2 3.81Å; W131-H191 AromaticContact CE2-CE1 3.65Å; W131-H191 AromaticContact CH2-CE1 3.99Å; W131-H191 AromaticContact CZ2-CE1 3.48Å; W131-H191 VanDerWaalsContact CZ2-CE1 3.48Å; W131-H191 WeakPolarHBondContact CZ2-CE1 3.3Å; N135-H191 HydrophobicContact CB-CB 4.41Å; N135-H191 PolarHBondContact ND2-ND1 3.45Å; N135-H191 PolarHBondContact OD1-ND1 3.22Å; R188-H191 WeakPolarHBondContact O-CB 3.34Å; R188-H191 PolarHBondContact O-N 2.94Å; R188-H191 VanDerWaalsContact O-N 3.09Å; M189-H191 PolarHBondContact O-N 3.27Å; H191-I193 PolarHBondContact O-N 3.39Å; H191-I193 VanDerWaalsContact O-N 3.1Å; H191-Y194 HydrophobicContact CB-CD2 4.05Å; H191-Y194 HydrophobicContact CB-CE2 4.4Å; H191-Y194 AromaticContact CD2-CE2 3.92Å; H191-Y194 WeakPolarHBondContact O-CD2 3.39Å; H191-Y194 PolarHBondContact O-N 2.88Å; H191-Y194 VanDerWaalsContact O-N 3.11Å; H191-P195 WeakPolarHBondContact O-CD 3.41Å
192V96Very high95.4Very high22 Ų2232.8 Ų32.813%0.13318%0.175CC..G310 helixtrans-55.8-25.3175.170.20000112.8M189 I190 Y194 P195 C196 I247 H250M189-V192 VanDerWaalsContact O-CB 3.31Å; M189-V192 WeakPolarHBondContact O-CB 3.17Å; M189-V192 VanDerWaalsContact O-CG1 3.24Å; M189-V192 WeakPolarHBondContact O-CG1 3.22Å; M189-V192 PolarHBondContact O-N 3.31Å; I190-V192 PolarHBondContact O-N 3.04Å; I190-V192 VanDerWaalsContact O-N 3.14Å; V192-Y194 PolarHBondContact O-N 2.98Å; V192-P195 VanDerWaalsContact O-CD 3.24Å; V192-P195 WeakPolarHBondContact O-CD 3.27Å; V192-P195 WeakPolarHBondContact O-CG 3.28Å; V192-C196 PolarHBondContact O-N 3.35Å; V192-C196 PolarHBondContact O-SG 3.24Å; V192-I247 HydrophobicContact CG2-CB 4.38Å; V192-I247 HydrophobicContact CG2-CG1 4.11Å; V192-H250 HydrophobicContact CB-CB 4.25Å; V192-H250 VanDerWaalsContact CB-CD2 3.48Å; V192-H250 WeakPolarHBondContact CB-CD2 3.47Å; V192-H250 HydrophobicContact CG2-CB 3.71Å; V192-H250 PolarHBondContact N-CE1 3.25Å; V192-H250 PolarHBondContact N-NE2 3.08Å; V192-H250 VanDerWaalsContact N-NE2 3.13Å
193I95.3Very high95.5Very high70 Ų7031.6 Ų31.636%0.35917%0.171SC..Hα-helixtrans-58.6-33.8177.859.8148.2000112.5L32 H191 C196 L197L32-I193 HydrophobicContact CD2-CD1 3.47Å; L32-I193 VanDerWaalsContact CD2-CD1 3.47Å; L32-I193 HydrophobicContact CD2-CG1 3.99Å; H191-I193 PolarHBondContact O-N 3.39Å; H191-I193 VanDerWaalsContact O-N 3.1Å; I193-C196 WeakPolarHBondContact O-CB 3.42Å; I193-C196 PolarHBondContact O-N 2.99Å; I193-L197 VanDerWaalsContact O-CG 3.26Å; I193-L197 WeakPolarHBondContact O-CG 3.41Å; I193-L197 PolarHBondContact O-N 3.17Å
194Y96.6Very high95.6Very high46 Ų4636.4 Ų36.418%0.1820%0.196CC..Hα-helixtrans-72.1-51.4-175.1-60.7-59.9000113.7L32 F34 F132 H191 V192 C196 L197 V198L32-Y194 PolarHBondContact O-OH 3.32Å; F34-Y194 HydrophobicContact CE1-CE2 4.47Å; F34-Y194 HydrophobicContact CE2-CD2 4.29Å; F34-Y194 AromaticContact CE2-CE2 3.52Å; F34-Y194 HydrophobicContact CE2-CE2 3.52Å; F34-Y194 AromaticContact CE2-CZ 3.65Å; F34-Y194 AromaticContact CZ-CD2 3.76Å; F34-Y194 HydrophobicContact CZ-CD2 3.76Å; F34-Y194 AromaticContact CZ-CE2 3.32Å; F34-Y194 HydrophobicContact CZ-CE2 3.32Å; F34-Y194 AromaticContact CZ-CZ 3.97Å; F132-Y194 HydrophobicContact CD2-CD1 4.2Å; F132-Y194 HydrophobicContact CD2-CD2 4.22Å; F132-Y194 HydrophobicContact CD2-CG 4.02Å; F132-Y194 AromaticContact CE2-CD1 3.65Å; F132-Y194 HydrophobicContact CE2-CD1 3.65Å; F132-Y194 HydrophobicContact CE2-CD2 4.34Å; F132-Y194 HydrophobicContact CE2-CE1 4.28Å; F132-Y194 AromaticContact CE2-CG 3.67Å; F132-Y194 HydrophobicContact CE2-CG 3.67Å; H191-Y194 HydrophobicContact CB-CD2 4.05Å; H191-Y194 HydrophobicContact CB-CE2 4.4Å; H191-Y194 AromaticContact CD2-CE2 3.92Å; H191-Y194 WeakPolarHBondContact O-CD2 3.39Å; H191-Y194 PolarHBondContact O-N 2.88Å; H191-Y194 VanDerWaalsContact O-N 3.11Å; V192-Y194 PolarHBondContact O-N 2.98Å; Y194-C196 PolarHBondContact O-N 3.46Å; Y194-L197 PolarHBondContact O-N 3Å; Y194-V198 PolarHBondContact O-N 3.35Å
195P98.2Very high95.7Very high5 Ų539.2 Ų39.23%0.03221%0.208CC..Hα-helixtrans-62.6-32172.424.3-32.9000112.3L136 T139 H191 V192 V198 G199 T246L136-P195 HydrophobicContact CD1-CB 3.98Å; T139-P195 HydrophobicContact CG2-CB 3.75Å; T139-P195 HydrophobicContact CG2-CG 3.74Å; H191-P195 WeakPolarHBondContact O-CD 3.41Å; V192-P195 VanDerWaalsContact O-CD 3.24Å; V192-P195 WeakPolarHBondContact O-CD 3.27Å; V192-P195 WeakPolarHBondContact O-CG 3.28Å; P195-V198 PolarHBondContact O-N 3.07Å; P195-G199 PolarHBondContact O-N 3.36Å; P195-T246 HydrophobicContact CB-CG2 3.77Å; P195-T246 HydrophobicContact CG-CG2 4.15Å
196C98.4Very high95.8Very high20 Ų2039.3 Ų39.314%0.13521%0.209CC..Hα-helixtrans-61.5-47.2171.7-72.20000112.2V192 I193 Y194 V198 G199 L200 L243V192-C196 PolarHBondContact O-N 3.35Å; V192-C196 PolarHBondContact O-SG 3.24Å; I193-C196 WeakPolarHBondContact O-CB 3.42Å; I193-C196 PolarHBondContact O-N 2.99Å; Y194-C196 PolarHBondContact O-N 3.46Å; C196-V198 VanDerWaalsContact C-N 3.32Å; C196-V198 PolarHBondContact O-N 3.15Å; C196-G199 PolarHBondContact O-N 3.11Å; C196-G199 VanDerWaalsContact O-N 3.14Å; C196-L200 WeakPolarHBondContact O-CG 3.27Å; C196-L200 PolarHBondContact O-N 2.88Å; C196-L243 HydrophobicContact CB-CD1 3.7Å
197L97.9Very high96Very high90 Ų9043.5 Ų43.547%0.47123%0.225SC..Hα-helixtrans-60.2-40.8175.6-73.9169.5000111.9I193 Y194 G199 L200 I201I193-L197 VanDerWaalsContact O-CG 3.26Å; I193-L197 WeakPolarHBondContact O-CG 3.41Å; I193-L197 PolarHBondContact O-N 3.17Å; Y194-L197 PolarHBondContact O-N 3Å; L197-G199 VanDerWaalsContact C-N 3.33Å; L197-G199 PolarHBondContact O-N 3.1Å; L197-L200 WeakPolarHBondContact O-CB 3.45Å; L197-L200 PolarHBondContact O-N 3.21Å; L197-I201 VanDerWaalsContact O-CG1 3.32Å; L197-I201 WeakPolarHBondContact O-CG1 3.48Å; L197-I201 PolarHBondContact O-N 3.29Å
198V97.6Very high96.2Very high33 Ų3347 Ų4720%0.224%0.244CC..Hα-helixtrans-64.4-37.7175171.80000111.7L136 Y194 P195 C196 L200 I201 Y202L136-V198 HydrophobicContact CD1-CB 4.02Å; L136-V198 HydrophobicContact CD1-CG1 4.45Å; L136-V198 HydrophobicContact CD1-CG2 3.65Å; L136-V198 HydrophobicContact CD2-CG2 4Å; L136-V198 HydrophobicContact CG-CG2 4.47Å; Y194-V198 PolarHBondContact O-N 3.35Å; P195-V198 PolarHBondContact O-N 3.07Å; C196-V198 VanDerWaalsContact C-N 3.32Å; C196-V198 PolarHBondContact O-N 3.15Å; V198-L200 VanDerWaalsContact C-N 3.32Å; V198-L200 PolarHBondContact O-N 3.4Å; V198-I201 PolarHBondContact O-N 2.84Å; V198-Y202 WeakPolarHBondContact O-CB 3.27Å; V198-Y202 PolarHBondContact O-N 2.79Å
199G97.8Very high96.4Very high29 Ų2947 Ų4730%0.29924%0.244SC..Hα-helixtrans-60.8-39171.900000113.3P195 C196 L197 S203P195-G199 PolarHBondContact O-N 3.36Å; C196-G199 PolarHBondContact O-N 3.11Å; C196-G199 VanDerWaalsContact O-N 3.14Å; L197-G199 VanDerWaalsContact C-N 3.33Å; L197-G199 PolarHBondContact O-N 3.1Å; G199-S203 WeakPolarHBondContact O-CB 3.36Å; G199-S203 PolarHBondContact O-N 3.18Å; G199-S203 PolarHBondContact O-OG 3.09Å
200L98Very high96.7Very high99 Ų9948.3 Ų48.352%0.51825%0.246SC..Hα-helixtrans-67.9-44.1174.3-64.8176000111.9C196 L197 V198 Y202 S203 L204C196-L200 WeakPolarHBondContact O-CG 3.27Å; C196-L200 PolarHBondContact O-N 2.88Å; L197-L200 WeakPolarHBondContact O-CB 3.45Å; L197-L200 PolarHBondContact O-N 3.21Å; V198-L200 VanDerWaalsContact C-N 3.32Å; V198-L200 PolarHBondContact O-N 3.4Å; L200-Y202 VanDerWaalsContact C-N 3.31Å; L200-Y202 PolarHBondContact O-N 3.42Å; L200-S203 PolarHBondContact O-N 3.26Å; L200-L204 PolarHBondContact O-N 3.34Å
201I98.3Very high96.9Very high99 Ų9951.7 Ų51.751%0.50826%0.264SS..Hα-helixtrans-59.5-44.1175.6-69.2165.2000110.4L197 V198 L204 F205L197-I201 VanDerWaalsContact O-CG1 3.32Å; L197-I201 WeakPolarHBondContact O-CG1 3.48Å; L197-I201 PolarHBondContact O-N 3.29Å; V198-I201 PolarHBondContact O-N 2.84Å; I201-L204 PolarHBondContact O-N 2.98Å; I201-F205 WeakPolarHBondContact O-CB 3.45Å; I201-F205 PolarHBondContact O-N 3.47Å
202Y98.1Very high96.9Very high19 Ų1958.6 Ų58.68%0.07530%0.3CS..Hα-helixtrans-65.3-40.4177.8-172.1-99.6000111.9T91 A93 W96 V198 L200 L204 F205 T206 Y224T91-Y202 WeakPolarHBondContact O-CE2 3.34Å; T91-Y202 PolarHBondContact O-OH 3.38Å; A93-Y202 HydrophobicContact CB-CD1 3.95Å; A93-Y202 HydrophobicContact CB-CD2 4.05Å; A93-Y202 HydrophobicContact CB-CE1 3.64Å; A93-Y202 HydrophobicContact CB-CE2 3.76Å; A93-Y202 HydrophobicContact CB-CG 4.15Å; A93-Y202 PolarHBondContact N-OH 2.9Å; W96-Y202 HydrophobicContact CD2-CD2 4.37Å; W96-Y202 HydrophobicContact CE3-CD2 4.4Å; W96-Y202 HydrophobicContact CH2-CD2 4.42Å; W96-Y202 HydrophobicContact CZ2-CD2 4.37Å; W96-Y202 HydrophobicContact CZ3-CD2 4.43Å; V198-Y202 WeakPolarHBondContact O-CB 3.27Å; V198-Y202 PolarHBondContact O-N 2.79Å; L200-Y202 VanDerWaalsContact C-N 3.31Å; L200-Y202 PolarHBondContact O-N 3.42Å; Y202-L204 PolarHBondContact O-N 2.86Å; Y202-F205 HydrophobicContact CD2-CD1 4.02Å; Y202-F205 AromaticContact CE2-CD1 3.77Å; Y202-F205 HydrophobicContact CE2-CD1 3.77Å; Y202-F205 HydrophobicContact CE2-CE1 4.04Å; Y202-F205 WeakPolarHBondContact O-CB 3.33Å; Y202-F205 PolarHBondContact O-N 3.13Å; Y202-T206 HydrophobicContact CD1-CG2 4.07Å; Y202-T206 HydrophobicContact CE1-CG2 3.53Å; Y202-T206 HydrophobicContact CE2-CG2 4.49Å; Y202-T206 WeakPolarHBondContact O-CG2 3.27Å; Y202-T206 PolarHBondContact O-N 3.14Å; Y202-Y224 HydrophobicContact CE1-CD2 4.35Å; Y202-Y224 HydrophobicContact CE1-CE2 4.02Å; Y202-Y224 AromaticContact CZ-CE2 3.94Å; Y202-Y224 WeakPolarHBondContact OH-CE2 3.49Å
203S97.7Very high96.6Very high23 Ų2360.6 Ų60.616%0.16133%0.325CS..Hα-helixtrans-60.6-45.8175.3-58.80000111.3G199 L200 F205 T206 Y207 C239G199-S203 WeakPolarHBondContact O-CB 3.36Å; G199-S203 PolarHBondContact O-N 3.18Å; G199-S203 PolarHBondContact O-OG 3.09Å; L200-S203 PolarHBondContact O-N 3.26Å; S203-F205 PolarHBondContact O-N 3.48Å; S203-T206 PolarHBondContact O-N 2.82Å; S203-T206 PolarHBondContact O-OG1 3.49Å; S203-Y207 PolarHBondContact O-N 3.04Å; S203-Y207 VanDerWaalsContact O-N 3.1Å; S203-C239 PolarHBondContact OG-SG 3.03Å; S203-C239 VanDerWaalsContact OG-SG 3.4Å
204L97.6Very high96.3Very high101 Ų10158 Ų5853%0.52932%0.316SS..Hα-helixtrans-60.4-43.8173.9176.661.7000111.9L200 I201 Y202 T206 Y207 L208L200-L204 PolarHBondContact O-N 3.34Å; I201-L204 PolarHBondContact O-N 2.98Å; Y202-L204 PolarHBondContact O-N 2.86Å; L204-T206 VanDerWaalsContact C-N 3.35Å; L204-T206 PolarHBondContact O-N 3.32Å; L204-Y207 WeakPolarHBondContact O-CB 3.49Å; L204-Y207 PolarHBondContact O-N 3.03Å; L204-L208 HydrophobicContact CD1-CD1 4.28Å; L204-L208 HydrophobicContact CD1-CG 4.21Å; L204-L208 HydrophobicContact CG-CD1 4.19Å; L204-L208 WeakPolarHBondContact O-CG 3.29Å; L204-L208 PolarHBondContact O-N 2.89Å
205F97.2Very high95.6Very high60 Ų6057.7 Ų57.726%0.26332%0.323SS..Hα-helixtrans-56.3-47.5175161.6-99.5000111.6T91 I201 Y202 S203 Y207 L208 F209T91-F205 HydrophobicContact CG2-CZ 4.16Å; I201-F205 WeakPolarHBondContact O-CB 3.45Å; I201-F205 PolarHBondContact O-N 3.47Å; Y202-F205 HydrophobicContact CD2-CD1 4.02Å; Y202-F205 AromaticContact CE2-CD1 3.77Å; Y202-F205 HydrophobicContact CE2-CD1 3.77Å; Y202-F205 HydrophobicContact CE2-CE1 4.04Å; Y202-F205 WeakPolarHBondContact O-CB 3.33Å; Y202-F205 PolarHBondContact O-N 3.13Å; S203-F205 PolarHBondContact O-N 3.48Å; F205-Y207 VanDerWaalsContact C-N 3.3Å; F205-Y207 PolarHBondContact O-N 3.11Å; F205-L208 PolarHBondContact O-N 3.14Å; F205-F209 HydrophobicContact CE2-CD2 4.48Å; F205-F209 HydrophobicContact CZ-CB 4.49Å; F205-F209 HydrophobicContact CZ-CD2 4.15Å; F205-F209 WeakPolarHBondContact O-CB 3.41Å; F205-F209 PolarHBondContact O-N 3.44Å
206T96.4Very high94.6Very high3 Ų358.4 Ų58.42%0.01833%0.331CS..Hα-helixtrans-64.8-33.7179.4630000112.9Y202 S203 L204 W210 I227 W229Y202-T206 HydrophobicContact CD1-CG2 4.07Å; Y202-T206 HydrophobicContact CE1-CG2 3.53Å; Y202-T206 HydrophobicContact CE2-CG2 4.49Å; Y202-T206 WeakPolarHBondContact O-CG2 3.27Å; Y202-T206 PolarHBondContact O-N 3.14Å; S203-T206 PolarHBondContact O-N 2.82Å; S203-T206 PolarHBondContact O-OG1 3.49Å; L204-T206 VanDerWaalsContact C-N 3.35Å; L204-T206 PolarHBondContact O-N 3.32Å; T206-W210 PolarHBondContact O-N 2.89Å; T206-W210 VanDerWaalsContact O-N 3.08Å; T206-I227 HydrophobicContact CG2-CG2 4.32Å; T206-W229 VanDerWaalsContact C-NE1 3.33Å; T206-W229 PolarHBondContact OG1-NE1 2.74Å
207Y96.9Very high93.4Very high89 Ų8960.6 Ų60.635%0.34935%0.345SS..Hα-helixtrans-65.1-48.9174.4173.2-105.2000111.3S203 L204 F205 F209 W210 L211 W229S203-Y207 PolarHBondContact O-N 3.04Å; S203-Y207 VanDerWaalsContact O-N 3.1Å; L204-Y207 WeakPolarHBondContact O-CB 3.49Å; L204-Y207 PolarHBondContact O-N 3.03Å; F205-Y207 VanDerWaalsContact C-N 3.3Å; F205-Y207 PolarHBondContact O-N 3.11Å; Y207-F209 VanDerWaalsContact C-N 3.32Å; Y207-F209 PolarHBondContact O-N 2.91Å; Y207-W210 HydrophobicContact CD2-CE3 4.13Å; Y207-W210 HydrophobicContact CD2-CZ3 4.29Å; Y207-W210 HydrophobicContact CE2-CE3 4.08Å; Y207-W210 AromaticContact CE2-CZ3 3.81Å; Y207-W210 HydrophobicContact CE2-CZ3 3.81Å; Y207-W210 PolarHBondContact O-N 3.38Å; Y207-L211 HydrophobicContact CE1-CD2 4.03Å; Y207-L211 WeakPolarHBondContact O-CB 3.44Å; Y207-L211 PolarHBondContact O-N 2.93Å; Y207-W229 HydrophobicContact CD2-CB 4.44Å; Y207-W229 AromaticContact CD2-CD2 3.76Å; Y207-W229 HydrophobicContact CD2-CD2 3.76Å; Y207-W229 AromaticContact CD2-CE3 3.72Å; Y207-W229 HydrophobicContact CD2-CE3 3.72Å; Y207-W229 HydrophobicContact CD2-CG 4.08Å; Y207-W229 HydrophobicContact CD2-CZ3 4.23Å; Y207-W229 HydrophobicContact CG-CD2 4.38Å; Y207-W229 VanDerWaalsContact N-NE1 3.17Å
208L96.3Very high92.2Very high75 Ų7560 Ų6039%0.39334%0.337SS..Hα-helixtrans-63.6-38.6176.9-66.6176.1000111.7L204 F205 W210 L211 L212L204-L208 HydrophobicContact CD1-CD1 4.28Å; L204-L208 HydrophobicContact CD1-CG 4.21Å; L204-L208 HydrophobicContact CG-CD1 4.19Å; L204-L208 WeakPolarHBondContact O-CG 3.29Å; L204-L208 PolarHBondContact O-N 2.89Å; F205-L208 PolarHBondContact O-N 3.14Å; L208-W210 VanDerWaalsContact C-N 3.34Å; L208-W210 PolarHBondContact O-N 2.86Å; L208-L211 PolarHBondContact O-N 3.15Å; L208-L212 VanDerWaalsContact O-CB 3.29Å; L208-L212 WeakPolarHBondContact O-CB 3.28Å; L208-L212 VanDerWaalsContact O-CG 3.25Å; L208-L212 WeakPolarHBondContact O-CG 3.45Å; L208-L212 PolarHBondContact O-N 3.47Å
209F94.8Very high91.2Very high27 Ų2768.5 Ų68.512%0.11837%0.365CS..Hα-helixtrans-60.2-43.9176.6-174-92.1000111.6Y87 T91 F205 Y207 G214 G221 V223Y87-F209 HydrophobicContact CE2-CE2 4.25Å; Y87-F209 HydrophobicContact CE2-CZ 4.36Å; T91-F209 HydrophobicContact CG2-CD2 4.4Å; T91-F209 HydrophobicContact CG2-CE2 3.81Å; T91-F209 HydrophobicContact CG2-CZ 4.23Å; F205-F209 HydrophobicContact CE2-CD2 4.48Å; F205-F209 HydrophobicContact CZ-CB 4.49Å; F205-F209 HydrophobicContact CZ-CD2 4.15Å; F205-F209 WeakPolarHBondContact O-CB 3.41Å; F205-F209 PolarHBondContact O-N 3.44Å; Y207-F209 VanDerWaalsContact C-N 3.32Å; Y207-F209 PolarHBondContact O-N 2.91Å; F209-G214 WeakPolarHBondContact O-CA 3.32Å; F209-G214 PolarHBondContact O-N 3.31Å; F209-G221 WeakPolarHBondContact CD1-O 3.45Å; F209-V223 HydrophobicContact CD1-CG2 3.76Å; F209-V223 HydrophobicContact CE1-CG2 3.92Å; F209-V223 HydrophobicContact CG-CG2 4.3Å
210W95.2Very high90.5Very high80 Ų8070.5 Ų70.530%0.30337%0.372SS..Hα-helixtrans-66.9-48.8173.7167.379000112.2T206 Y207 L208 L212 G213 W229T206-W210 PolarHBondContact O-N 2.89Å; T206-W210 VanDerWaalsContact O-N 3.08Å; Y207-W210 HydrophobicContact CD2-CE3 4.13Å; Y207-W210 HydrophobicContact CD2-CZ3 4.29Å; Y207-W210 HydrophobicContact CE2-CE3 4.08Å; Y207-W210 AromaticContact CE2-CZ3 3.81Å; Y207-W210 HydrophobicContact CE2-CZ3 3.81Å; Y207-W210 PolarHBondContact O-N 3.38Å; L208-W210 VanDerWaalsContact C-N 3.34Å; L208-W210 PolarHBondContact O-N 2.86Å; W210-L212 VanDerWaalsContact C-N 3.28Å; W210-L212 PolarHBondContact O-N 3.11Å; W210-G213 PolarHBondContact O-N 3Å; W210-W229 HydrophobicContact CB-CB 4.05Å; W210-W229 HydrophobicContact CB-CG 4.41Å; W210-W229 HydrophobicContact CD2-CB 3.39Å; W210-W229 HydrophobicContact CD2-CG 4.47Å; W210-W229 HydrophobicContact CE3-CB 3.45Å; W210-W229 VanDerWaalsContact CE3-CB 3.45Å; W210-W229 HydrophobicContact CE3-CG 4.35Å; W210-W229 HydrophobicContact CG-CB 3.66Å; W210-W229 HydrophobicContact CZ3-CB 4.06Å
211L95.4Very high89.9Confident95 Ų9566 Ų6650%0.49735%0.349SS..Hα-helixtrans-59.8-37.9-177-178.665.8000112.5Y207 L208 G213Y207-L211 HydrophobicContact CE1-CD2 4.03Å; Y207-L211 WeakPolarHBondContact O-CB 3.44Å; Y207-L211 PolarHBondContact O-N 2.93Å; L208-L211 PolarHBondContact O-N 3.15Å; L211-G213 PolarHBondContact O-N 2.8Å
212L95.3Very high89.5Confident146 Ų14662.6 Ų62.676%0.76433%0.331SS*.THydrogen-bonded Turntrans-85.99.8179.6-61.7174.8000113.3L208 W210L208-L212 VanDerWaalsContact O-CB 3.29Å; L208-L212 WeakPolarHBondContact O-CB 3.28Å; L208-L212 VanDerWaalsContact O-CG 3.25Å; L208-L212 WeakPolarHBondContact O-CG 3.45Å; L208-L212 PolarHBondContact O-N 3.47Å; W210-L212 VanDerWaalsContact C-N 3.28Å; W210-L212 PolarHBondContact O-N 3.11Å
213G90.5Very high89.2Confident63 Ų6361.9 Ų61.965%0.64933%0.329SS*.THydrogen-bonded Turntrans72.730.2174.600000114.3W210 L211W210-G213 PolarHBondContact O-N 3Å; L211-G213 PolarHBondContact O-N 2.8Å
214G88.7Confident88.9Confident17 Ų1761.6 Ų61.618%0.17532%0.324CS..  trans-53.3141.4170.800000110.6F209 G221F209-G214 WeakPolarHBondContact O-CA 3.32Å; F209-G214 PolarHBondContact O-N 3.31Å; G214-G221 WeakPolarHBondContact O-CA 3.48Å; G214-G221 PolarHBondContact O-N 3Å
215A82.2Confident88.5Confident38 Ų3858.4 Ų58.431%0.31431%0.309SS..  trans-70.2-50-178.300000111R219 T220 G221A215-R219 CarbonylContact O-C 3.25Å; A215-R219 VanDerWaalsContact O-C 3.25Å; A215-R219 WeakPolarHBondContact O-CA 3.17Å; A215-R219 PolarHBondContact O-N 3.21Å; A215-T220 PolarHBondContact O-N 2.97Å; A215-T220 VanDerWaalsContact O-N 3.13Å; A215-G221 PolarHBondContact O-N 3.48Å; A215-G221 VanDerWaalsContact O-N 3.12Å
216G76.3Confident88.2Confident20 Ų2060.4 Ų60.421%0.20632%0.318CS..THydrogen-bonded Turntrans63177.3-168.800000112.6Y218 R219G216-Y218 PolarHBondContact O-N 3.47Å; G216-R219 PolarHBondContact O-N 3.48Å
217P72.6Confident88.1Confident66 Ų6661.2 Ų61.243%0.42932%0.323SS..THydrogen-bonded Turntrans-57.8-30.4175.122.1-37.2000114.4Y92 Q222Y92-P217 WeakPolarHBondContact OH-CG 3.36Å; P217-Q222 WeakPolarHBondContact CD-O 3.22Å
218Y72.6Confident88Confident79 Ų7957.8 Ų57.831%0.3131%0.31SS..THydrogen-bonded Turntrans-98.1-0.1-175.4-55.2-76.8000114.4L157 G216 T220 Q222 P225L157-Y218 HydrophobicContact CD1-CE1 4.08Å; L157-Y218 WeakPolarHBondContact CD1-OH 2.87Å; L157-Y218 HydrophobicContact CD2-CE1 4.09Å; G216-Y218 PolarHBondContact O-N 3.47Å; Y218-T220 WeakPolarHBondContact CB-OG1 3.49Å; Y218-T220 PolarHBondContact O-N 3.02Å; Y218-Q222 HydrophobicContact CD2-CB 3.97Å; Y218-P225 HydrophobicContact CE2-CB 4.44Å; Y218-P225 WeakPolarHBondContact OH-CB 3.28Å; Y218-P225 VanDerWaalsContact OH-CG 3.31Å; Y218-P225 WeakPolarHBondContact OH-CG 3.49Å
219R77.3Confident87.9Confident210 Ų21056.1 Ų56.179%0.79230%0.298SS*.THydrogen-bonded Turntrans6020.7-171.5-54.4179.3177.7-92-1.9113.8A215 G216A215-R219 CarbonylContact O-C 3.25Å; A215-R219 VanDerWaalsContact O-C 3.25Å; A215-R219 WeakPolarHBondContact O-CA 3.17Å; A215-R219 PolarHBondContact O-N 3.21Å; G216-R219 PolarHBondContact O-N 3.48Å
220T83.9Confident87.9Confident72 Ų7258.2 Ų58.244%0.44232%0.317SS..SBendtrans-113.72.5-179.358.20000113.7A215 Y218 Q222A215-T220 PolarHBondContact O-N 2.97Å; A215-T220 VanDerWaalsContact O-N 3.13Å; Y218-T220 WeakPolarHBondContact CB-OG1 3.49Å; Y218-T220 PolarHBondContact O-N 3.02Å; T220-Q222 VanDerWaalsContact C-N 3.27Å; T220-Q222 PolarHBondContact O-N 2.95Å; T220-Q222 WeakPolarHBondContact OG1-CG 3.31Å; T220-Q222 PolarHBondContact OG1-OE1 3.4Å
221G85.4Confident87.9Confident4 Ų460.3 Ų60.34%0.04133%0.328CS..SBendtrans81.50.9-171.800000115.1F209 G214 A215F209-G221 WeakPolarHBondContact CD1-O 3.45Å; G214-G221 WeakPolarHBondContact O-CA 3.48Å; G214-G221 PolarHBondContact O-N 3Å; A215-G221 PolarHBondContact O-N 3.48Å; A215-G221 VanDerWaalsContact O-N 3.12Å
222Q90.1Very high87.9Confident28 Ų2859.2 Ų59.213%0.13133%0.327CS..  trans-84.6126.9174.7-63.6174.4-84.600110.8P217 Y218 T220 D228P217-Q222 WeakPolarHBondContact CD-O 3.22Å; Y218-Q222 HydrophobicContact CD2-CB 3.97Å; T220-Q222 VanDerWaalsContact C-N 3.27Å; T220-Q222 PolarHBondContact O-N 2.95Å; T220-Q222 WeakPolarHBondContact OG1-CG 3.31Å; T220-Q222 PolarHBondContact OG1-OE1 3.4Å; Q222-D228 HydrophobicContact CG-CB 4.29Å
223V90.1Very high88Confident3 Ų360 Ų602%0.01833%0.327CS..SBendtrans-84.2-46.3170.2-178.90000110.7Y92 F209Y92-V223 HydrophobicContact CD2-CG1 3.99Å; Y92-V223 HydrophobicContact CE2-CG1 4.02Å; Y92-V223 HydrophobicContact CG-CG1 4.29Å; F209-V223 HydrophobicContact CD1-CG2 3.76Å; F209-V223 HydrophobicContact CE1-CG2 3.92Å; F209-V223 HydrophobicContact CG-CG2 4.3Å
224Y92.4Very high88.3Confident18 Ų1860.6 Ų60.67%0.07132%0.317CS..SBendtrans-116.9144.5176.2-71.9-79.5000110.1Y92 A93 T94 L152 F160 Y202 F226 I227Y92-Y224 HydrophobicContact CD1-CD1 4.47Å; Y92-Y224 AromaticContact CD1-CE1 3.68Å; Y92-Y224 HydrophobicContact CD1-CE1 3.68Å; Y92-Y224 HydrophobicContact CD1-CE2 4.44Å; Y92-Y224 AromaticContact CD1-CZ 3.66Å; Y92-Y224 HydrophobicContact CE1-CD1 4.44Å; Y92-Y224 HydrophobicContact CE1-CE1 4.04Å; A93-Y224 HydrophobicContact CB-CE2 4.2Å; A93-Y224 PolarHBondContact N-OH 3.4Å; A93-Y224 VanDerWaalsContact N-OH 3.08Å; T94-Y224 PolarHBondContact N-OH 2.93Å; T94-Y224 PolarHBondContact OG1-OH 3.47Å; L152-Y224 HydrophobicContact CD1-CD1 4.14Å; L152-Y224 HydrophobicContact CD1-CE1 4.07Å; F160-Y224 HydrophobicContact CE1-CD1 4.26Å; F160-Y224 HydrophobicContact CE1-CE1 4.04Å; F160-Y224 AromaticContact CZ-CD1 3.82Å; F160-Y224 HydrophobicContact CZ-CD1 3.82Å; F160-Y224 HydrophobicContact CZ-CE1 4.07Å; Y202-Y224 HydrophobicContact CE1-CD2 4.35Å; Y202-Y224 HydrophobicContact CE1-CE2 4.02Å; Y202-Y224 AromaticContact CZ-CE2 3.94Å; Y202-Y224 WeakPolarHBondContact OH-CE2 3.49Å; Y224-F226 PolarHBondContact O-N 3.02Å; Y224-I227 HydrophobicContact CD2-CD1 4.12Å; Y224-I227 PolarHBondContact O-N 3.34Å
225P89.6Confident88.7Confident33 Ų3359.8 Ų59.821%0.21431%0.309CS..THydrogen-bonded Turntrans-56.6-34.2-178.76.6-17.6000114.5L152 I155 F160 Y218 I227L152-P225 HydrophobicContact CD2-CG 4.42Å; I155-P225 HydrophobicContact CD1-CB 4.47Å; I155-P225 HydrophobicContact CD1-CG 3.65Å; F160-P225 HydrophobicContact CE2-CG 4.16Å; Y218-P225 HydrophobicContact CE2-CB 4.44Å; Y218-P225 WeakPolarHBondContact OH-CB 3.28Å; Y218-P225 VanDerWaalsContact OH-CG 3.31Å; Y218-P225 WeakPolarHBondContact OH-CG 3.49Å; P225-I227 VanDerWaalsContact C-N 3.35Å
226F90.4Very high89.5Confident102 Ų10261.3 Ų61.345%0.44731%0.314SS..THydrogen-bonded Turntrans-86.4-2.1179.4-56.6-67.4000114.3S151 L152 I155 Y224 T238S151-F226 VanDerWaalsContact O-CE2 3.31Å; S151-F226 WeakPolarHBondContact O-CE2 3.39Å; L152-F226 HydrophobicContact CD2-CD2 3.98Å; L152-F226 HydrophobicContact CD2-CE2 3.9Å; I155-F226 HydrophobicContact CD1-CE2 3.72Å; I155-F226 HydrophobicContact CD1-CZ 4.02Å; Y224-F226 PolarHBondContact O-N 3.02Å; F226-T238 HydrophobicContact CB-CG2 3.89Å; F226-T238 PolarHBondContact O-OG1 2.99Å
227I93.7Very high90.5Very high21 Ų2165.6 Ų65.611%0.10833%0.332CS..  trans-11285.5176.2-57.6-177.8000107.6T206 Y224 P225 T235 T238T206-I227 HydrophobicContact CG2-CG2 4.32Å; Y224-I227 HydrophobicContact CD2-CD1 4.12Å; Y224-I227 PolarHBondContact O-N 3.34Å; P225-I227 VanDerWaalsContact C-N 3.35Å; I227-T235 HydrophobicContact CB-CG2 4.47Å; I227-T235 HydrophobicContact CG2-CG2 3.82Å; I227-T238 HydrophobicContact CG1-CG2 4.35Å
228D94.4Very high91.7Very high16 Ų1664.7 Ų64.79%0.08633%0.325CS..  trans-11696.4179.9-172.3-4.1000110.6Q222 S230 K231 T235Q222-D228 HydrophobicContact CG-CB 4.29Å; D228-S230 PolarHBondContact O-N 3.38Å; D228-S230 WeakPolarHBondContact OD1-CB 3.24Å; D228-S230 PolarHBondContact OD1-N 3.42Å; D228-S230 VanDerWaalsContact OD1-N 3.1Å; D228-S230 PolarHBondContact OD1-OG 3.35Å; D228-S230 PolarHBondContact OD2-OG 2.96Å; D228-K231 HydrophobicContact CB-CB 4.41Å; D228-K231 CarbonylContact O-C 3.18Å; D228-K231 WeakPolarHBondContact O-CA 3.26Å; D228-K231 PolarHBondContact O-N 2.83Å; D228-K231 VanDerWaalsContact O-O 3.07Å; D228-K231 WeakPolarHBondContact OD2-CD 3.32Å; D228-K231 IonicContact OD2-NZ 3.8Å; D228-T235 WeakPolarHBondContact CA-OG1 3.4Å; D228-T235 PolarHBondContact N-OG1 3.08Å; D228-T235 PolarHBondContact O-OG1 3.48Å
229W95.3Very high92.9Very high40 Ų4062 Ų6215%0.15232%0.318CS..THydrogen-bonded Turntrans-71.3-10.7-178.3-70.8104.9000113.8T206 Y207 W210 K231 T235 V236T206-W229 VanDerWaalsContact C-NE1 3.33Å; T206-W229 PolarHBondContact OG1-NE1 2.74Å; Y207-W229 HydrophobicContact CD2-CB 4.44Å; Y207-W229 AromaticContact CD2-CD2 3.76Å; Y207-W229 HydrophobicContact CD2-CD2 3.76Å; Y207-W229 AromaticContact CD2-CE3 3.72Å; Y207-W229 HydrophobicContact CD2-CE3 3.72Å; Y207-W229 HydrophobicContact CD2-CG 4.08Å; Y207-W229 HydrophobicContact CD2-CZ3 4.23Å; Y207-W229 HydrophobicContact CG-CD2 4.38Å; Y207-W229 VanDerWaalsContact N-NE1 3.17Å; W210-W229 HydrophobicContact CB-CB 4.05Å; W210-W229 HydrophobicContact CB-CG 4.41Å; W210-W229 HydrophobicContact CD2-CB 3.39Å; W210-W229 HydrophobicContact CD2-CG 4.47Å; W210-W229 HydrophobicContact CE3-CB 3.45Å; W210-W229 VanDerWaalsContact CE3-CB 3.45Å; W210-W229 HydrophobicContact CE3-CG 4.35Å; W210-W229 HydrophobicContact CG-CB 3.66Å; W210-W229 HydrophobicContact CZ3-CB 4.06Å; W229-K231 PolarHBondContact O-N 3.3Å; W229-T235 HydrophobicContact CD2-CG2 3.68Å; W229-T235 HydrophobicContact CE3-CG2 3.93Å; W229-T235 HydrophobicContact CG-CG2 4.27Å; W229-T235 HydrophobicContact CH2-CG2 4Å; W229-T235 HydrophobicContact CZ2-CG2 3.75Å; W229-T235 HydrophobicContact CZ3-CG2 4.08Å; W229-V236 HydrophobicContact CZ3-CG2 4.4Å
230S94Very high93.8Very high72 Ų7256.3 Ų56.350%0.50330%0.303SS..THydrogen-bonded Turntrans-68.7-18.8164.479.50000112.5D228 P232D228-S230 PolarHBondContact O-N 3.38Å; D228-S230 WeakPolarHBondContact OD1-CB 3.24Å; D228-S230 PolarHBondContact OD1-N 3.42Å; D228-S230 VanDerWaalsContact OD1-N 3.1Å; D228-S230 PolarHBondContact OD1-OG 3.35Å; D228-S230 PolarHBondContact OD2-OG 2.96Å; S230-P232 WeakPolarHBondContact O-CD 3.28Å
231K95.9Very high94.5Very high124 Ų12456.4 Ų56.454%0.53931%0.306SS..SBendtrans-120.671.8174.5-61.1176-170164.80109.7D228 W229 Q233 T234 T235D228-K231 HydrophobicContact CB-CB 4.41Å; D228-K231 CarbonylContact O-C 3.18Å; D228-K231 WeakPolarHBondContact O-CA 3.26Å; D228-K231 PolarHBondContact O-N 2.83Å; D228-K231 VanDerWaalsContact O-O 3.07Å; D228-K231 WeakPolarHBondContact OD2-CD 3.32Å; D228-K231 IonicContact OD2-NZ 3.8Å; W229-K231 PolarHBondContact O-N 3.3Å; K231-Q233 VanDerWaalsContact C-N 3.29Å; K231-Q233 PolarHBondContact O-N 2.91Å; K231-T234 WeakPolarHBondContact CB-OG1 3.42Å; K231-T234 PolarHBondContact O-N 3.42Å; K231-T234 PolarHBondContact O-OG1 3.32Å; K231-T235 PolarHBondContact O-N 2.93Å; K231-T235 PolarHBondContact O-OG1 2.93Å
232P96.2Very high95.1Very high72 Ų7258 Ų5847%0.46832%0.319SS..Hα-helixtrans-61.2-33.9-168.122.7-34000113.5S230 T235 V236S230-P232 WeakPolarHBondContact O-CD 3.28Å; P232-T235 PolarHBondContact O-N 2.88Å; P232-V236 WeakPolarHBondContact O-CB 3.49Å; P232-V236 VanDerWaalsContact O-CG2 3.25Å; P232-V236 WeakPolarHBondContact O-CG2 3.47Å; P232-V236 PolarHBondContact O-N 3.36Å
233Q96.5Very high95.5Very high163 Ų16359 Ų5976%0.76233%0.325SS*.Hα-helixtrans-61.4-49.6-180-68.6179.3-25.900112.3K231 T235 L237K231-Q233 VanDerWaalsContact C-N 3.29Å; K231-Q233 PolarHBondContact O-N 2.91Å; Q233-T235 VanDerWaalsContact C-N 3.31Å; Q233-T235 PolarHBondContact O-N 2.87Å; Q233-L237 WeakPolarHBondContact O-CG 3.4Å; Q233-L237 PolarHBondContact O-N 3.31Å; Q233-L237 VanDerWaalsContact O-N 3.13Å
234T96.6Very high95.9Very high75 Ų7563.7 Ų63.746%0.4635%0.349SS..Hα-helixtrans-67.9-33.8178.948.80000111.9K231 L237 T238K231-T234 WeakPolarHBondContact CB-OG1 3.42Å; K231-T234 PolarHBondContact O-N 3.42Å; K231-T234 PolarHBondContact O-OG1 3.32Å; T234-L237 PolarHBondContact O-N 2.91Å; T234-T238 PolarHBondContact O-N 3.22Å; T234-T238 PolarHBondContact O-OG1 3.16Å
235T97.5Very high96.2Very high0 Ų063.9 Ų63.90%035%0.352CS..Hα-helixtrans-70.2-43.7178.3-64.50000111.9I227 D228 W229 K231 P232 Q233 L237 T238 C239I227-T235 HydrophobicContact CB-CG2 4.47Å; I227-T235 HydrophobicContact CG2-CG2 3.82Å; D228-T235 WeakPolarHBondContact CA-OG1 3.4Å; D228-T235 PolarHBondContact N-OG1 3.08Å; D228-T235 PolarHBondContact O-OG1 3.48Å; W229-T235 HydrophobicContact CD2-CG2 3.68Å; W229-T235 HydrophobicContact CE3-CG2 3.93Å; W229-T235 HydrophobicContact CG-CG2 4.27Å; W229-T235 HydrophobicContact CH2-CG2 4Å; W229-T235 HydrophobicContact CZ2-CG2 3.75Å; W229-T235 HydrophobicContact CZ3-CG2 4.08Å; K231-T235 PolarHBondContact O-N 2.93Å; K231-T235 PolarHBondContact O-OG1 2.93Å; P232-T235 PolarHBondContact O-N 2.88Å; Q233-T235 VanDerWaalsContact C-N 3.31Å; Q233-T235 PolarHBondContact O-N 2.87Å; T235-L237 VanDerWaalsContact C-N 3.33Å; T235-L237 PolarHBondContact O-N 3.27Å; T235-T238 WeakPolarHBondContact O-CB 3.34Å; T235-T238 PolarHBondContact O-N 3.38Å; T235-T238 VanDerWaalsContact O-N 3.15Å; T235-C239 PolarHBondContact O-N 3.16Å; T235-C239 PolarHBondContact O-SG 3.18Å
236V98Very high96.6Very high70 Ų7063 Ų6342%0.42435%0.346SS..Hα-helixtrans-60.4-43.2174169.70000110.9W229 P232 T238 C239 L240W229-V236 HydrophobicContact CZ3-CG2 4.4Å; P232-V236 WeakPolarHBondContact O-CB 3.49Å; P232-V236 VanDerWaalsContact O-CG2 3.25Å; P232-V236 WeakPolarHBondContact O-CG2 3.47Å; P232-V236 PolarHBondContact O-N 3.36Å; V236-T238 VanDerWaalsContact C-N 3.31Å; V236-T238 PolarHBondContact O-N 3.01Å; V236-C239 PolarHBondContact O-N 2.82Å; V236-L240 HydrophobicContact CG1-CD1 4.02Å; V236-L240 HydrophobicContact CG1-CG 4.4Å; V236-L240 WeakPolarHBondContact O-CB 3.29Å; V236-L240 WeakPolarHBondContact O-CG 3.34Å; V236-L240 PolarHBondContact O-N 2.89Å
237L97.6Very high97Very high110 Ų11061.6 Ų61.658%0.57634%0.343SS*.Hα-helixtrans-61.2-39.2174.9-71.3172.6000112.5Q233 T234 T235 S241Q233-L237 WeakPolarHBondContact O-CG 3.4Å; Q233-L237 PolarHBondContact O-N 3.31Å; Q233-L237 VanDerWaalsContact O-N 3.13Å; T234-L237 PolarHBondContact O-N 2.91Å; T235-L237 VanDerWaalsContact C-N 3.33Å; T235-L237 PolarHBondContact O-N 3.27Å; L237-S241 WeakPolarHBondContact O-CB 3.16Å; L237-S241 PolarHBondContact O-N 3.3Å; L237-S241 PolarHBondContact O-OG 3.34Å
238T97.2Very high97.2Very high46 Ų4665.6 Ų65.628%0.28236%0.364SS..Hα-helixtrans-64.8-46.6175.7-600000111.2F226 I227 T234 T235 V236 L240 S241 A242F226-T238 HydrophobicContact CB-CG2 3.89Å; F226-T238 PolarHBondContact O-OG1 2.99Å; I227-T238 HydrophobicContact CG1-CG2 4.35Å; T234-T238 PolarHBondContact O-N 3.22Å; T234-T238 PolarHBondContact O-OG1 3.16Å; T235-T238 WeakPolarHBondContact O-CB 3.34Å; T235-T238 PolarHBondContact O-N 3.38Å; T235-T238 VanDerWaalsContact O-N 3.15Å; V236-T238 VanDerWaalsContact C-N 3.31Å; V236-T238 PolarHBondContact O-N 3.01Å; T238-L240 PolarHBondContact O-N 3.23Å; T238-S241 PolarHBondContact O-N 2.92Å; T238-A242 PolarHBondContact O-N 3.27Å
239C98Very high97.4Very high24 Ų2465 Ų6516%0.16236%0.361CS..Hα-helixtrans-60.8-43.5176.2-71.80000112.3S203 T235 V236 S241 A242 L243S203-C239 PolarHBondContact OG-SG 3.03Å; S203-C239 VanDerWaalsContact OG-SG 3.4Å; T235-C239 PolarHBondContact O-N 3.16Å; T235-C239 PolarHBondContact O-SG 3.18Å; V236-C239 PolarHBondContact O-N 2.82Å; C239-S241 VanDerWaalsContact C-N 3.35Å; C239-A242 PolarHBondContact O-N 2.93Å; C239-L243 PolarHBondContact O-N 3.43Å
240L98.1Very high97.6Very high90 Ų9063.1 Ų63.147%0.47135%0.354SS..Hα-helixtrans-63.4-40.5175.8-71.9172.9000111.9V236 T238 L243 I244V236-L240 HydrophobicContact CG1-CD1 4.02Å; V236-L240 HydrophobicContact CG1-CG 4.4Å; V236-L240 WeakPolarHBondContact O-CB 3.29Å; V236-L240 WeakPolarHBondContact O-CG 3.34Å; V236-L240 PolarHBondContact O-N 2.89Å; T238-L240 PolarHBondContact O-N 3.23Å; L240-L243 WeakPolarHBondContact O-CB 3.47Å; L240-L243 PolarHBondContact O-N 3.11Å; L240-I244 WeakPolarHBondContact O-CG1 3.43Å; L240-I244 PolarHBondContact O-N 2.67Å
241S97.8Very high97.7Very high74 Ų7460.9 Ų60.952%0.51734%0.34SS..Hα-helixtrans-63.6-41.8176.1-58.50000111.7L237 T238 C239 L243 I244 C245L237-S241 WeakPolarHBondContact O-CB 3.16Å; L237-S241 PolarHBondContact O-N 3.3Å; L237-S241 PolarHBondContact O-OG 3.34Å; T238-S241 PolarHBondContact O-N 2.92Å; C239-S241 VanDerWaalsContact C-N 3.35Å; S241-L243 VanDerWaalsContact C-N 3.34Å; S241-L243 PolarHBondContact O-N 3.42Å; S241-I244 PolarHBondContact O-N 3.01Å; S241-C245 WeakPolarHBondContact O-CB 3.46Å; S241-C245 PolarHBondContact O-N 3.01Å
242A97.6Very high97.9Very high38 Ų3859.8 Ų59.831%0.31434%0.338SS..Hα-helixtrans-65.3-35.4174.800000112.6T238 C239 C245 T246T238-A242 PolarHBondContact O-N 3.27Å; C239-A242 PolarHBondContact O-N 2.93Å; A242-C245 WeakPolarHBondContact O-CB 3.31Å; A242-C245 PolarHBondContact O-N 2.88Å; A242-T246 PolarHBondContact O-N 3.34Å; A242-T246 PolarHBondContact O-OG1 3.17Å
243L98.3Very high98Very high49 Ų4956.3 Ų56.326%0.25732%0.315SS..Hα-helixtrans-65.2-44.9174.8-174.566.4000111.6C196 C239 L240 S241 C245 T246 I247C196-L243 HydrophobicContact CB-CD1 3.7Å; C239-L243 PolarHBondContact O-N 3.43Å; L240-L243 WeakPolarHBondContact O-CB 3.47Å; L240-L243 PolarHBondContact O-N 3.11Å; S241-L243 VanDerWaalsContact C-N 3.34Å; S241-L243 PolarHBondContact O-N 3.42Å; L243-C245 VanDerWaalsContact C-N 3.34Å; L243-T246 WeakPolarHBondContact O-CB 3.44Å; L243-T246 PolarHBondContact O-N 3.18Å; L243-I247 PolarHBondContact O-N 3.08Å; L243-I247 VanDerWaalsContact O-N 3.16Å
244I98.6Very high97.8Very high101 Ų10150 Ų5052%0.51829%0.285SS..Hα-helixtrans-61.5-45.2174.2-66.2167.1000110.2L240 S241 T246 I247 L248L240-I244 WeakPolarHBondContact O-CG1 3.43Å; L240-I244 PolarHBondContact O-N 2.67Å; S241-I244 PolarHBondContact O-N 3.01Å; I244-T246 PolarHBondContact O-N 3.31Å; I244-I247 PolarHBondContact O-N 2.82Å; I244-I247 VanDerWaalsContact O-N 3.16Å; I244-L248 HydrophobicContact CG2-CD1 4.08Å; I244-L248 HydrophobicContact CG2-CG 4.42Å; I244-L248 WeakPolarHBondContact O-CG 3.42Å; I244-L248 PolarHBondContact O-N 3.31Å
245C98.6Very high97.7Very high21 Ų2150.7 Ų50.714%0.14229%0.285CS..Hα-helixtrans-56.7-39.3175.2-174.80000112S241 A242 L243 L248 C249S241-C245 WeakPolarHBondContact O-CB 3.46Å; S241-C245 PolarHBondContact O-N 3.01Å; A242-C245 WeakPolarHBondContact O-CB 3.31Å; A242-C245 PolarHBondContact O-N 2.88Å; L243-C245 VanDerWaalsContact C-N 3.34Å; C245-L248 PolarHBondContact O-N 2.87Å; C245-C249 WeakPolarHBondContact O-CB 3.47Å; C245-C249 PolarHBondContact O-N 3.25Å; C245-C249 PolarHBondContact O-SG 2.7Å
246T98.7Very high97.7Very high14 Ų1452.7 Ų52.79%0.08630%0.295CS..Hα-helixtrans-60.7-45.9176.5-59.60000112.2T139 V143 P195 A242 L243 I244 H250T139-T246 HydrophobicContact CG2-CG2 4.07Å; V143-T246 HydrophobicContact CG2-CG2 4.37Å; P195-T246 HydrophobicContact CB-CG2 3.77Å; P195-T246 HydrophobicContact CG-CG2 4.15Å; A242-T246 PolarHBondContact O-N 3.34Å; A242-T246 PolarHBondContact O-OG1 3.17Å; L243-T246 WeakPolarHBondContact O-CB 3.44Å; L243-T246 PolarHBondContact O-N 3.18Å; I244-T246 PolarHBondContact O-N 3.31Å; T246-H250 WeakPolarHBondContact O-CB 3.27Å; T246-H250 PolarHBondContact O-N 3.14Å
247I98.6Very high97.5Very high74 Ų7449.4 Ų49.438%0.37928%0.275SS..Hα-helixtrans-62.8-45.5177.4-63.6166.7000110.8M189 V192 L243 I244 H250 A251M189-I247 HydrophobicContact CE-CG2 4.5Å; V192-I247 HydrophobicContact CG2-CB 4.38Å; V192-I247 HydrophobicContact CG2-CG1 4.11Å; L243-I247 PolarHBondContact O-N 3.08Å; L243-I247 VanDerWaalsContact O-N 3.16Å; I244-I247 PolarHBondContact O-N 2.82Å; I244-I247 VanDerWaalsContact O-N 3.16Å; I247-H250 PolarHBondContact O-N 2.82Å; I247-A251 WeakPolarHBondContact O-CB 3.44Å; I247-A251 PolarHBondContact O-N 3.27Å
248L98.7Very high97.1Very high105 Ų10546.4 Ų46.455%0.5526%0.258SS..Hα-helixtrans-64.2-45.7179.6-66.1176000112I244 C245 H250 A251 M252I244-L248 HydrophobicContact CG2-CD1 4.08Å; I244-L248 HydrophobicContact CG2-CG 4.42Å; I244-L248 WeakPolarHBondContact O-CG 3.42Å; I244-L248 PolarHBondContact O-N 3.31Å; C245-L248 PolarHBondContact O-N 2.87Å; L248-H250 VanDerWaalsContact C-N 3.35Å; L248-H250 PolarHBondContact O-N 2.8Å; L248-A251 WeakPolarHBondContact O-CB 3.42Å; L248-A251 PolarHBondContact O-N 2.87Å; L248-M252 WeakPolarHBondContact O-CG 3.48Å; L248-M252 PolarHBondContact O-N 3.32Å
249C98.8Very high96.8Very high3 Ų348.2 Ų48.22%0.0227%0.265CS..Hα-helixtrans-62.6-42.5177.6-70.50000111.4L142 V143 C245 A251 M252 L253L142-C249 HydrophobicContact CB-CB 4.3Å; L142-C249 HydrophobicContact CD2-CB 3.87Å; L142-C249 HydrophobicContact CG-CB 4Å; V143-C249 HydrophobicContact CG2-CB 3.62Å; C245-C249 WeakPolarHBondContact O-CB 3.47Å; C245-C249 PolarHBondContact O-N 3.25Å; C245-C249 PolarHBondContact O-SG 2.7Å; C249-A251 VanDerWaalsContact C-N 3.34Å; C249-A251 PolarHBondContact O-N 3.38Å; C249-M252 WeakPolarHBondContact O-CB 3.5Å; C249-M252 PolarHBondContact O-N 3.46Å; C249-L253 WeakPolarHBondContact O-CG 3.31Å; C249-L253 PolarHBondContact O-N 3.03Å
250H98.4Very high96.6Very high0 Ų047.4 Ų47.40%026%0.258CS..Hα-helixtrans-63.1-41.6176.4-16493.8000112T139 M187 R188 V192 T246 I247 L248 M252 L253 Y254T139-H250 HydrophobicContact CG2-CB 3.88Å; T139-H250 PolarHBondContact OG1-ND1 2.81Å; M187-H250 WeakPolarHBondContact CE-CE1 3.35Å; M187-H250 VanDerWaalsContact CE-NE2 3.26Å; M187-H250 WeakPolarHBondContact CE-NE2 3.48Å; R188-H250 PolarHBondContact O-NE2 2.8Å; V192-H250 HydrophobicContact CB-CB 4.25Å; V192-H250 VanDerWaalsContact CB-CD2 3.48Å; V192-H250 WeakPolarHBondContact CB-CD2 3.47Å; V192-H250 HydrophobicContact CG2-CB 3.71Å; V192-H250 PolarHBondContact N-CE1 3.25Å; V192-H250 PolarHBondContact N-NE2 3.08Å; V192-H250 VanDerWaalsContact N-NE2 3.13Å; T246-H250 WeakPolarHBondContact O-CB 3.27Å; T246-H250 PolarHBondContact O-N 3.14Å; I247-H250 PolarHBondContact O-N 2.82Å; L248-H250 VanDerWaalsContact C-N 3.35Å; L248-H250 PolarHBondContact O-N 2.8Å; H250-M252 VanDerWaalsContact C-N 3.31Å; H250-M252 PolarHBondContact O-N 3.03Å; H250-L253 PolarHBondContact O-N 3.19Å; H250-Y254 PolarHBondContact O-N 3.14Å
251A96.9Very high96.1Very high25 Ų2543.2 Ų43.221%0.20724%0.236CC..Hα-helixtrans-61.2-39.4174.200000112M189 I247 L248 C249 Y254 I255M189-A251 HydrophobicContact CE-CB 3.94Å; M189-A251 HydrophobicContact SD-CB 4Å; I247-A251 WeakPolarHBondContact O-CB 3.44Å; I247-A251 PolarHBondContact O-N 3.27Å; L248-A251 WeakPolarHBondContact O-CB 3.42Å; L248-A251 PolarHBondContact O-N 2.87Å; C249-A251 VanDerWaalsContact C-N 3.34Å; C249-A251 PolarHBondContact O-N 3.38Å; A251-Y254 WeakPolarHBondContact O-CB 3.46Å; A251-Y254 PolarHBondContact O-N 3.48Å; A251-I255 VanDerWaalsContact O-CG1 3.28Å; A251-I255 WeakPolarHBondContact O-CG1 3.45Å; A251-I255 PolarHBondContact O-N 3.43Å
252M98.5Very high95.5Very high101 Ų10142.4 Ų42.450%0.49823%0.226SC..Hα-helixtrans-62.4-44.5174.5-69.8172.568.300112L142 L248 C249 H250 Y254 I255 I256L142-M252 HydrophobicContact CD2-CB 4.34Å; L248-M252 WeakPolarHBondContact O-CG 3.48Å; L248-M252 PolarHBondContact O-N 3.32Å; C249-M252 WeakPolarHBondContact O-CB 3.5Å; C249-M252 PolarHBondContact O-N 3.46Å; H250-M252 VanDerWaalsContact C-N 3.31Å; H250-M252 PolarHBondContact O-N 3.03Å; M252-Y254 VanDerWaalsContact C-N 3.33Å; M252-Y254 PolarHBondContact O-N 3.18Å; M252-I255 PolarHBondContact O-N 2.9Å; M252-I256 WeakPolarHBondContact O-CG1 3.46Å; M252-I256 PolarHBondContact O-N 3.5Å
253L98.3Very high95.2Very high0 Ų044.2 Ų44.20%023%0.23CC..Hα-helixtrans-64.2-38.9176.5-63.4174000111.8A138 L142 V176 V177 I180 M187 C249 H250 I256 Y257A138-L253 HydrophobicContact CB-CD1 4.14Å; L142-L253 HydrophobicContact CB-CD1 4.41Å; L142-L253 HydrophobicContact CD2-CD1 4.3Å; L142-L253 HydrophobicContact CD2-CD2 3.73Å; L142-L253 HydrophobicContact CD2-CG 3.75Å; V176-L253 HydrophobicContact CG1-CD2 4.24Å; V177-L253 HydrophobicContact CG2-CD2 4.5Å; I180-L253 HydrophobicContact CD1-CB 4.18Å; I180-L253 HydrophobicContact CD1-CD2 3.62Å; I180-L253 HydrophobicContact CD1-CG 4.33Å; M187-L253 HydrophobicContact CG-CB 4.12Å; M187-L253 HydrophobicContact SD-CB 4.43Å; C249-L253 WeakPolarHBondContact O-CG 3.31Å; C249-L253 PolarHBondContact O-N 3.03Å; H250-L253 PolarHBondContact O-N 3.19Å; L253-I256 HydrophobicContact CD2-CD1 4.48Å; L253-I256 PolarHBondContact O-N 3.25Å; L253-Y257 WeakPolarHBondContact O-CB 3.41Å; L253-Y257 PolarHBondContact O-N 2.77Å
254Y94Very high94.6Very high30 Ų3041.9 Ų41.912%0.11822%0.217CC..Hα-helixtrans-59.9-43.7171.9173.1-100.7000111.8M187 M189 H250 A251 M252 I256 Y257 F258M187-Y254 VanDerWaalsContact O-CD2 3.28Å; M187-Y254 WeakPolarHBondContact O-CD2 3.4Å; M189-Y254 HydrophobicContact CB-CD1 4.32Å; M189-Y254 HydrophobicContact CB-CD2 3.89Å; M189-Y254 HydrophobicContact CB-CE2 4.18Å; M189-Y254 HydrophobicContact CB-CG 3.97Å; M189-Y254 HydrophobicContact SD-CG 4.48Å; H250-Y254 PolarHBondContact O-N 3.14Å; A251-Y254 WeakPolarHBondContact O-CB 3.46Å; A251-Y254 PolarHBondContact O-N 3.48Å; M252-Y254 VanDerWaalsContact C-N 3.33Å; M252-Y254 PolarHBondContact O-N 3.18Å; Y254-I256 VanDerWaalsContact C-N 3.35Å; Y254-I256 PolarHBondContact O-N 3.4Å; Y254-Y257 HydrophobicContact CD2-CD1 4.11Å; Y254-Y257 HydrophobicContact CE2-CD1 4.22Å; Y254-Y257 HydrophobicContact CE2-CE1 4.36Å; Y254-Y257 WeakPolarHBondContact O-CB 3.31Å; Y254-Y257 PolarHBondContact O-N 3.39Å; Y254-F258 WeakPolarHBondContact O-CB 2.87Å; Y254-F258 PolarHBondContact O-N 2.96Å
255I94.5Very high93.9Very high90 Ų9038.9 Ų38.946%0.46220%0.204SC..Hα-helixtrans-62.4-42176.2-69.6163.4000111A251 M252 F258 I259A251-I255 VanDerWaalsContact O-CG1 3.28Å; A251-I255 WeakPolarHBondContact O-CG1 3.45Å; A251-I255 PolarHBondContact O-N 3.43Å; M252-I255 PolarHBondContact O-N 2.9Å; I255-F258 WeakPolarHBondContact O-CB 3.18Å; I255-F258 PolarHBondContact O-N 2.96Å; I255-I259 HydrophobicContact CG2-CD1 3.76Å; I255-I259 HydrophobicContact CG2-CG1 4.37Å; I255-I259 WeakPolarHBondContact O-CB 3.44Å; I255-I259 VanDerWaalsContact O-CG1 3.26Å; I255-I259 WeakPolarHBondContact O-CG1 3.42Å; I255-I259 PolarHBondContact O-N 3.22Å
256I96.6Very high93.2Very high42 Ų4246.4 Ų46.422%0.21523%0.234CC..Hα-helixtrans-62.7-46.1176.6-66165.1000110.6V177 I180 M252 L253 Y254 F258 I259 R260V177-I256 HydrophobicContact CG1-CD1 4.23Å; V177-I256 HydrophobicContact CG2-CD1 4.08Å; I180-I256 HydrophobicContact CG2-CG2 3.87Å; M252-I256 WeakPolarHBondContact O-CG1 3.46Å; M252-I256 PolarHBondContact O-N 3.5Å; L253-I256 HydrophobicContact CD2-CD1 4.48Å; L253-I256 PolarHBondContact O-N 3.25Å; Y254-I256 VanDerWaalsContact C-N 3.35Å; Y254-I256 PolarHBondContact O-N 3.4Å; I256-F258 VanDerWaalsContact C-N 3.33Å; I256-F258 PolarHBondContact O-N 3.33Å; I256-I259 PolarHBondContact O-N 2.95Å; I256-R260 WeakPolarHBondContact O-CB 3.41Å; I256-R260 PolarHBondContact O-N 3.17Å
257Y93.4Very high92.5Very high0 Ų051.8 Ų51.80%026%0.262CS..Hα-helixtrans-56.3-47.2172.7158.1-105.9000111.9F22 E26 P186 M187 L253 Y254 I259 R260 V261F22-Y257 HydrophobicContact CE1-CE1 4.23Å; F22-Y257 AromaticContact CZ-CE1 3.79Å; F22-Y257 HydrophobicContact CZ-CE1 3.79Å; F22-Y257 AromaticContact CZ-CZ 3.98Å; E26-Y257 PolarHBondContact OE1-OH 3.01Å; P186-Y257 HydrophobicContact CB-CE2 4.1Å; M187-Y257 HydrophobicContact CB-CD1 4.3Å; M187-Y257 HydrophobicContact CB-CD2 4.29Å; M187-Y257 HydrophobicContact CB-CG 3.83Å; M187-Y257 WeakPolarHBondContact O-CD1 3.46Å; M187-Y257 WeakPolarHBondContact O-CE1 3.34Å; L253-Y257 WeakPolarHBondContact O-CB 3.41Å; L253-Y257 PolarHBondContact O-N 2.77Å; Y254-Y257 HydrophobicContact CD2-CD1 4.11Å; Y254-Y257 HydrophobicContact CE2-CD1 4.22Å; Y254-Y257 HydrophobicContact CE2-CE1 4.36Å; Y254-Y257 WeakPolarHBondContact O-CB 3.31Å; Y254-Y257 PolarHBondContact O-N 3.39Å; Y257-I259 PolarHBondContact O-N 3.49Å; Y257-R260 WeakPolarHBondContact O-CB 3.46Å; Y257-R260 PolarHBondContact O-N 3.17Å; Y257-V261 HydrophobicContact CD2-CG2 3.98Å; Y257-V261 HydrophobicContact CE2-CG2 3.51Å; Y257-V261 WeakPolarHBondContact O-CG2 3.48Å; Y257-V261 PolarHBondContact O-N 3.33Å
258F89.1Confident91.4Very high48 Ų4851.2 Ų51.221%0.21127%0.274CS..Hα-helixtrans-60.2-47.1178.8175.2-95.2000111.4L19 F22 Y254 I255 I256 R260 V261 N262L19-F258 HydrophobicContact CD1-CD2 4.34Å; L19-F258 HydrophobicContact CD1-CE1 4.34Å; L19-F258 HydrophobicContact CD1-CE2 3.15Å; L19-F258 HydrophobicContact CD1-CZ 3.15Å; L19-F258 HydrophobicContact CD2-CZ 4.49Å; L19-F258 HydrophobicContact CG-CZ 4.43Å; F22-F258 HydrophobicContact CD1-CD2 4.1Å; F22-F258 HydrophobicContact CD1-CE2 4.2Å; F22-F258 AromaticContact CE1-CD2 3.9Å; F22-F258 HydrophobicContact CE1-CD2 3.9Å; F22-F258 HydrophobicContact CE1-CE2 4.42Å; Y254-F258 WeakPolarHBondContact O-CB 2.87Å; Y254-F258 PolarHBondContact O-N 2.96Å; I255-F258 WeakPolarHBondContact O-CB 3.18Å; I255-F258 PolarHBondContact O-N 2.96Å; I256-F258 VanDerWaalsContact C-N 3.33Å; I256-F258 PolarHBondContact O-N 3.33Å; F258-R260 PolarHBondContact O-N 3.39Å; F258-V261 PolarHBondContact O-N 3.21Å; F258-N262 WeakPolarHBondContact CE1-ND2 3.33Å; F258-N262 WeakPolarHBondContact CE2-ND2 3.5Å; F258-N262 WeakPolarHBondContact CZ-ND2 3.46Å; F258-N262 PolarHBondContact O-N 3.38Å; F258-N262 PolarHBondContact O-ND2 2.91Å
259I91.5Very high90.3Very high84 Ų8446.7 Ų46.743%0.43125%0.253SS..Hα-helixtrans-59.8-46.6176.3-70.1166.8000110.4I255 I256 Y257 V261 N262 I263I255-I259 HydrophobicContact CG2-CD1 3.76Å; I255-I259 HydrophobicContact CG2-CG1 4.37Å; I255-I259 WeakPolarHBondContact O-CB 3.44Å; I255-I259 VanDerWaalsContact O-CG1 3.26Å; I255-I259 WeakPolarHBondContact O-CG1 3.42Å; I255-I259 PolarHBondContact O-N 3.22Å; I256-I259 PolarHBondContact O-N 2.95Å; Y257-I259 PolarHBondContact O-N 3.49Å; I259-V261 PolarHBondContact O-N 3.38Å; I259-N262 PolarHBondContact O-N 2.63Å; I259-I263 HydrophobicContact CG2-CD1 3.58Å; I259-I263 HydrophobicContact CG2-CG1 4.24Å; I259-I263 VanDerWaalsContact O-CG1 3.31Å; I259-I263 WeakPolarHBondContact O-CG1 3.45Å; I259-I263 PolarHBondContact O-N 2.92Å
260R93.5Very high89.1Confident6 Ų648.7 Ų48.72%0.02326%0.26CS..Hα-helixtrans-55.2-49.7176.9175.4-159.786.2-169.37.5111.8Q46 W47 I180 C183 A184 I185 I256 Y257 F258 N262 I263 S264Q46-R260 HydrophobicContact CB-CG 4.49Å; Q46-R260 HydrophobicContact CG-CG 3.99Å; W47-R260 HydrophobicContact CZ2-CG 4.29Å; I180-R260 WeakPolarHBondContact O-CD 3.46Å; I180-R260 PolarHBondContact O-NH1 3.31Å; C183-R260 PolarHBondContact O-NE 3.27Å; C183-R260 PolarHBondContact O-NH1 3.34Å; A184-R260 PolarHBondContact O-NH2 2.89Å; I185-R260 PolarHBondContact O-NH1 3.35Å; I185-R260 PolarHBondContact O-NH2 3.41Å; I256-R260 WeakPolarHBondContact O-CB 3.41Å; I256-R260 PolarHBondContact O-N 3.17Å; Y257-R260 WeakPolarHBondContact O-CB 3.46Å; Y257-R260 PolarHBondContact O-N 3.17Å; F258-R260 PolarHBondContact O-N 3.39Å; R260-N262 VanDerWaalsContact C-N 3.34Å; R260-N262 PolarHBondContact O-N 3.23Å; R260-I263 PolarHBondContact O-N 3.35Å; R260-S264 VanDerWaalsContact O-CB 3.26Å; R260-S264 WeakPolarHBondContact O-CB 3.49Å; R260-S264 PolarHBondContact O-N 2.92Å
261V88.1Confident87.3Confident3 Ų348.7 Ų48.72%0.01826%0.26CS..Hα-helixtrans-61.2-45.3-179.8171.90000110.4Y257 F258 I259 S264 V265 L274Y257-V261 HydrophobicContact CD2-CG2 3.98Å; Y257-V261 HydrophobicContact CE2-CG2 3.51Å; Y257-V261 WeakPolarHBondContact O-CG2 3.48Å; Y257-V261 PolarHBondContact O-N 3.33Å; F258-V261 PolarHBondContact O-N 3.21Å; I259-V261 PolarHBondContact O-N 3.38Å; V261-S264 WeakPolarHBondContact O-CB 3.01Å; V261-S264 PolarHBondContact O-N 3.22Å; V261-V265 VanDerWaalsContact O-CG2 3.29Å; V261-V265 WeakPolarHBondContact O-CG2 3.32Å; V261-V265 PolarHBondContact O-N 3.18Å; V261-L274 HydrophobicContact CG1-CD1 4.13Å; V261-L274 HydrophobicContact CG2-CD1 4.17Å
262N85.6Confident85.3Confident56 Ų5653.1 Ų53.130%0.29928%0.275SS..Hα-helixtrans-64.8-41.9179.4-81.6-91.2000113.1F258 I259 R260 S264 V265 K266F258-N262 WeakPolarHBondContact CE1-ND2 3.33Å; F258-N262 WeakPolarHBondContact CE2-ND2 3.5Å; F258-N262 WeakPolarHBondContact CZ-ND2 3.46Å; F258-N262 PolarHBondContact O-N 3.38Å; F258-N262 PolarHBondContact O-ND2 2.91Å; I259-N262 PolarHBondContact O-N 2.63Å; R260-N262 VanDerWaalsContact C-N 3.34Å; R260-N262 PolarHBondContact O-N 3.23Å; N262-S264 VanDerWaalsContact C-N 3.31Å; N262-V265 PolarHBondContact O-N 3.4Å; N262-K266 WeakPolarHBondContact O-CG 3.44Å; N262-K266 PolarHBondContact O-N 3.23Å
263I89.4Confident83.2Confident76 Ų7653 Ų5339%0.3927%0.274SS..Hα-helixtrans-63.7-42.8174.1-66.3171.8000109.7W47 I259 R260 V265 K266 L267W47-I263 HydrophobicContact CH2-CB 4.2Å; W47-I263 HydrophobicContact CH2-CG2 3.69Å; W47-I263 HydrophobicContact CZ3-CG2 4Å; I259-I263 HydrophobicContact CG2-CD1 3.58Å; I259-I263 HydrophobicContact CG2-CG1 4.24Å; I259-I263 VanDerWaalsContact O-CG1 3.31Å; I259-I263 WeakPolarHBondContact O-CG1 3.45Å; I259-I263 PolarHBondContact O-N 2.92Å; R260-I263 PolarHBondContact O-N 3.35Å; I263-V265 PolarHBondContact O-N 2.83Å; I263-K266 PolarHBondContact O-N 2.98Å; I263-L267 HydrophobicContact CG2-CD1 3.74Å; I263-L267 HydrophobicContact CG2-CG 4.26Å; I263-L267 WeakPolarHBondContact O-CG 3.47Å; I263-L267 PolarHBondContact O-N 2.95Å
264S87.5Confident81.2Confident0 Ų053.9 Ų53.90%028%0.279CS..Hα-helixtrans-58.4-45.5176.9-175.30000111.8Q46 R260 V261 N262 K266 L267 G268 G269 R270 G271Q46-S264 WeakPolarHBondContact CG-OG 3.2Å; Q46-S264 PolarHBondContact NE2-OG 2.88Å; Q46-S264 PolarHBondContact O-OG 3.02Å; R260-S264 VanDerWaalsContact O-CB 3.26Å; R260-S264 WeakPolarHBondContact O-CB 3.49Å; R260-S264 PolarHBondContact O-N 2.92Å; V261-S264 WeakPolarHBondContact O-CB 3.01Å; V261-S264 PolarHBondContact O-N 3.22Å; N262-S264 VanDerWaalsContact C-N 3.31Å; S264-K266 VanDerWaalsContact C-N 3.33Å; S264-K266 PolarHBondContact O-N 3.48Å; S264-L267 PolarHBondContact O-N 3.44Å; S264-G268 PolarHBondContact O-N 3.25Å; S264-G269 VanDerWaalsContact O-CA 3.25Å; S264-G269 WeakPolarHBondContact O-CA 3.31Å; S264-G269 PolarHBondContact O-N 2.91Å; S264-G269 WeakPolarHBondContact OG-CA 3.34Å; S264-R270 PolarHBondContact OG-N 3.31Å; S264-R270 VanDerWaalsContact OG-N 3.15Å; S264-G271 PolarHBondContact OG-N 3.36Å
265V83Confident79.3Confident39 Ų3953.5 Ų53.524%0.23628%0.278CS..Hα-helixtrans-55.5-49.1175.1175.80000110.8V261 N262 I263 L267 G268 F272 I275V261-V265 VanDerWaalsContact O-CG2 3.29Å; V261-V265 WeakPolarHBondContact O-CG2 3.32Å; V261-V265 PolarHBondContact O-N 3.18Å; N262-V265 PolarHBondContact O-N 3.4Å; I263-V265 PolarHBondContact O-N 2.83Å; V265-L267 VanDerWaalsContact C-N 3.27Å; V265-L267 PolarHBondContact O-N 3.28Å; V265-G268 PolarHBondContact O-N 3.48Å; V265-F272 HydrophobicContact CG1-CB 4.48Å; V265-I275 HydrophobicContact CG1-CD1 4.27Å; V265-I275 HydrophobicContact CG2-CD1 3.66Å
266K83.2Confident77.1Confident178 Ų17854.7 Ų54.777%0.77428%0.28SS*.Hα-helixtrans-64.4-30.5-177.7-70.3179.4179.9-176.30113.4N262 I263 S264N262-K266 WeakPolarHBondContact O-CG 3.44Å; N262-K266 PolarHBondContact O-N 3.23Å; I263-K266 PolarHBondContact O-N 2.98Å; S264-K266 VanDerWaalsContact C-N 3.33Å; S264-K266 PolarHBondContact O-N 3.48Å
267L85.6Confident75Confident127 Ų12756.3 Ų56.367%0.66529%0.287SS*.THydrogen-bonded Turntrans-93.613.5179.9-62.4-178.6000113.4W47 I263 S264 V265 G269W47-L267 HydrophobicContact CZ3-CD1 4.03Å; I263-L267 HydrophobicContact CG2-CD1 3.74Å; I263-L267 HydrophobicContact CG2-CG 4.26Å; I263-L267 WeakPolarHBondContact O-CG 3.47Å; I263-L267 PolarHBondContact O-N 2.95Å; S264-L267 PolarHBondContact O-N 3.44Å; V265-L267 VanDerWaalsContact C-N 3.27Å; V265-L267 PolarHBondContact O-N 3.28Å; L267-G269 PolarHBondContact O-N 2.88Å
268G75.7Confident72.9Confident62 Ų6257.4 Ų57.464%0.63930%0.295SS*.THydrogen-bonded Turntrans67.321.5-177.900000113.6S264 V265S264-G268 PolarHBondContact O-N 3.25Å; V265-G268 PolarHBondContact O-N 3.48Å
269G75Confident70.7Confident10 Ų1060.6 Ų60.610%0.10331%0.309CS..SBendtrans-78.9-173.1174.100000113S264 L267 G271S264-G269 VanDerWaalsContact O-CA 3.25Å; S264-G269 WeakPolarHBondContact O-CA 3.31Å; S264-G269 PolarHBondContact O-N 2.91Å; S264-G269 WeakPolarHBondContact OG-CA 3.34Å; L267-G269 PolarHBondContact O-N 2.88Å; G269-G271 PolarHBondContact O-N 3.44Å; G269-G271 VanDerWaalsContact O-N 3.12Å
270R74.3Confident68.3Low45 Ų4562 Ų6217%0.1731%0.313CS..THydrogen-bonded Turntrans-72.6-4-173.2-63.1172-171.6-96.4-5.9114.8R38 S45 Q46 V48 S264 F272 M273R38-R270 PolarHBondContact NH1-O 2.89Å; S45-R270 WeakPolarHBondContact O-CD 3.45Å; S45-R270 PolarHBondContact O-NE 3.32Å; Q46-R270 PolarHBondContact O-N 2.68Å; V48-R270 HydrophobicContact CG2-CG 4.13Å; S264-R270 PolarHBondContact OG-N 3.31Å; S264-R270 VanDerWaalsContact OG-N 3.15Å; R270-F272 VanDerWaalsContact C-N 3.29Å; R270-F272 PolarHBondContact O-N 3.42Å; R270-M273 PolarHBondContact O-N 2.99Å
271G59.6Low65.5Low0 Ų067.1 Ų67.10%035%0.347CS..Hα-helixtrans-66.3-30.6-177.900000113S264 G269 M273 L274S264-G271 PolarHBondContact OG-N 3.36Å; G269-G271 PolarHBondContact O-N 3.44Å; G269-G271 VanDerWaalsContact O-N 3.12Å; G271-M273 PolarHBondContact O-N 3.06Å; G271-L274 PolarHBondContact O-N 3.29Å; G271-L274 VanDerWaalsContact O-N 3.17Å
272F54Low63.3Low118 Ų11874 Ų7452%0.51838%0.379SS..Hα-helixtrans-60.1-34.7-179.7177.5-98.3000113V265 R270 L274 I275 K276V265-F272 HydrophobicContact CG1-CB 4.48Å; R270-F272 VanDerWaalsContact C-N 3.29Å; R270-F272 PolarHBondContact O-N 3.42Å; F272-L274 VanDerWaalsContact C-N 3.3Å; F272-L274 PolarHBondContact O-N 3.4Å; F272-I275 PolarHBondContact O-N 3.1Å; F272-K276 HydrophobicContact CE1-CB 4.36Å; F272-K276 HydrophobicContact CE1-CD 4.33Å; F272-K276 PolarHBondContact O-N 2.82Å
273M54.9Low60.6Low99 Ų9975.2 Ų75.249%0.48839%0.391SS..Hα-helixtrans-65.1-31.9-179.9-74.9174177.900112.4R270 G271 E277R270-M273 PolarHBondContact O-N 2.99Å; G271-M273 PolarHBondContact O-N 3.06Å; M273-E277 PolarHBondContact O-N 2.8Å
274L56.8Low58Low18 Ų1881.5 Ų81.59%0.09441%0.411CS..Hα-helixtrans-68.5-35.8175.4-65.2172.1000112V261 G271 F272 S278V261-L274 HydrophobicContact CG1-CD1 4.13Å; V261-L274 HydrophobicContact CG2-CD1 4.17Å; G271-L274 PolarHBondContact O-N 3.29Å; G271-L274 VanDerWaalsContact O-N 3.17Å; F272-L274 VanDerWaalsContact C-N 3.3Å; F272-L274 PolarHBondContact O-N 3.4Å; L274-S278 PolarHBondContact O-N 3.38Å
275I53.5Low55.6Low22 Ų2287.5 Ų87.511%0.11344%0.443CS..Hα-helixtrans-73.8-41.8177.8-61.1176000110.4E18 V265 F272 E277 S278 K279E18-I275 HydrophobicContact CB-CG2 4.42Å; E18-I275 HydrophobicContact CG-CG2 4.45Å; V265-I275 HydrophobicContact CG1-CD1 4.27Å; V265-I275 HydrophobicContact CG2-CD1 3.66Å; F272-I275 PolarHBondContact O-N 3.1Å; I275-E277 VanDerWaalsContact C-N 3.34Å; I275-E277 PolarHBondContact O-N 3.22Å; I275-S278 PolarHBondContact O-N 3.08Å; I275-S278 PolarHBondContact O-OG 3.26Å; I275-K279 PolarHBondContact O-N 3.44Å
276K48.6Very low53.3Low115 Ų11592.7 Ų92.750%0.547%0.47SS..Hα-helixtrans-59.4-44.5179.1-169.8-174.6173-166.60111.4F272 K279 E280F272-K276 HydrophobicContact CE1-CB 4.36Å; F272-K276 HydrophobicContact CE1-CD 4.33Å; F272-K276 PolarHBondContact O-N 2.82Å; K276-K279 WeakPolarHBondContact O-CB 3.44Å; K276-K279 PolarHBondContact O-N 2.99Å; K276-K279 VanDerWaalsContact O-N 3.16Å; K276-E280 PolarHBondContact O-N 3.29Å
277E52.2Low51.1Low76 Ų7688.4 Ų88.436%0.35545%0.452SS..Hα-helixtrans-68.1-36177.7-73.9171.9-173.500112.6R38 M273 I275 K279 E280R38-E277 VanDerWaalsContact CD-OE1 3.3Å; R38-E277 WeakPolarHBondContact CD-OE1 3.46Å; R38-E277 WeakPolarHBondContact CD-OE2 3.38Å; M273-E277 PolarHBondContact O-N 2.8Å; I275-E277 VanDerWaalsContact C-N 3.34Å; I275-E277 PolarHBondContact O-N 3.22Å; E277-K279 PolarHBondContact O-N 2.87Å; E277-K279 VanDerWaalsContact O-N 3.16Å; E277-E280 PolarHBondContact O-N 3.48Å; E277-E280 VanDerWaalsContact O-N 3.12Å
278S50.6Low49Very low24 Ų2486.5 Ų86.517%0.16844%0.44CS..Hα-helixtrans-61.4-25.1173.672.90000112.8Q21 L274 I275Q21-S278 PolarHBondContact NE2-O 2.98Å; L274-S278 PolarHBondContact O-N 3.38Å; I275-S278 PolarHBondContact O-N 3.08Å; I275-S278 PolarHBondContact O-OG 3.26Å
279K42.3Very low47.4Very low114 Ų11488.3 Ų88.350%0.49643%0.431SS..Hα-helixtrans-83.8-23.2177.8-70.2-179.6179.2-177.70113.1E18 I275 K276 E277 P281E18-K279 VanDerWaalsContact OE1-CE 3.27Å; E18-K279 WeakPolarHBondContact OE1-CE 3.36Å; E18-K279 IonicContact OE1-NZ 2.66Å; E18-K279 PolarHBondContact OE1-NZ 2.96Å; I275-K279 PolarHBondContact O-N 3.44Å; K276-K279 WeakPolarHBondContact O-CB 3.44Å; K276-K279 PolarHBondContact O-N 2.99Å; K276-K279 VanDerWaalsContact O-N 3.16Å; E277-K279 PolarHBondContact O-N 2.87Å; E277-K279 VanDerWaalsContact O-N 3.16Å; K279-P281 WeakPolarHBondContact O-CD 3.32Å
280E40.3Very low45.9Very low114 Ų11493 Ų9353%0.53345%0.453SS..SBendtrans-72.9108.8176.2-75.5176.3-17000107.1K276 E277 H282K276-E280 PolarHBondContact O-N 3.29Å; E277-E280 PolarHBondContact O-N 3.48Å; E277-E280 VanDerWaalsContact O-N 3.12Å; E280-H282 PolarHBondContact O-N 2.79Å; E280-H282 VanDerWaalsContact O-N 3.12Å
281P35.6Very low44.1Very low113 Ų11396.9 Ų96.973%0.73448%0.477SS*.  trans-57.7125.4-17924.7-31.4000107K279 C283K279-P281 WeakPolarHBondContact O-CD 3.32Å; P281-C283 VanDerWaalsContact C-N 3.33Å; P281-C283 PolarHBondContact O-N 3.31Å
282H41Very low43.5Very low148 Ų14899.3 Ų99.369%0.68549%0.494SS*.  trans-20.588.2177.5-68.1-75000113.2E280 Y284E280-H282 PolarHBondContact O-N 2.79Å; E280-H282 VanDerWaalsContact O-N 3.12Å; H282-Y284 PolarHBondContact O-N 2.64Å
283C30.2Very low42.8Very low81 Ų81100.1 Ų100.155%0.54750%0.499SS..THydrogen-bonded Turntrans-78.251.8170.2-163.80000108.1P281 D285P281-C283 VanDerWaalsContact C-N 3.33Å; P281-C283 PolarHBondContact O-N 3.31Å; C283-D285 VanDerWaalsContact C-N 3.32Å
284Y35Very low42.6Very low208 Ų208101.3 Ų101.382%0.81650%0.504SS*.THydrogen-bonded Turntrans-95.33.1153.6-79.4-77.9000110.3H282 N286H282-Y284 PolarHBondContact O-N 2.64Å; Y284-N286 PolarHBondContact O-N 3.15Å
285D36Very low42Very low126 Ų126105 Ų10567%0.67453%0.527SS*.SBendtrans-68.883.8156.7-75.5-19.2000107.3C283 E287C283-D285 VanDerWaalsContact C-N 3.32Å; D285-E287 WeakPolarHBondContact O-CB 3.42Å; D285-E287 VanDerWaalsContact O-CG 3.28Å; D285-E287 WeakPolarHBondContact O-CG 3.48Å; D285-E287 PolarHBondContact O-N 3.44Å
286N36Very low42.1Very low149 Ų149106.5 Ų106.580%0.79754%0.539SS*.SBendtrans27.122.8153-58.7-37.2000120.6Y284 E288Y284-N286 PolarHBondContact O-N 3.15Å; N286-E288 PolarHBondContact O-N 3.22Å
287E35.8Very low42.7Very low87 Ų87110.7 Ų110.741%0.40756%0.56SS.*  trans-97.185-176.1-72.6-170.6-176.500107.6D285 F289 K307D285-E287 WeakPolarHBondContact O-CB 3.42Å; D285-E287 VanDerWaalsContact O-CG 3.28Å; D285-E287 WeakPolarHBondContact O-CG 3.48Å; D285-E287 PolarHBondContact O-N 3.44Å; E287-F289 HydrophobicContact CB-CE2 4Å; E287-F289 WeakPolarHBondContact O-CD2 3.25Å; E287-F289 WeakPolarHBondContact O-CE2 3.42Å; E287-K307 WeakPolarHBondContact OE1-CE 3.44Å; E287-K307 IonicContact OE1-NZ 2.63Å; E287-K307 PolarHBondContact OE1-NZ 2.8Å; E287-K307 WeakPolarHBondContact OE2-CE 3.32Å; E287-K307 IonicContact OE2-NZ 2.73Å; E287-K307 PolarHBondContact OE2-NZ 3.3Å
288E41.7Very low43.3Very low88 Ų88114.5 Ų114.541%0.41158%0.583SS.*  trans-74.9130.1175.2-147.9161.4-156.800108.4N286 I308N286-E288 PolarHBondContact O-N 3.22Å; E288-I308 HydrophobicContact CB-CD1 4.06Å; E288-I308 HydrophobicContact CG-CD1 4.2Å; E288-I308 WeakPolarHBondContact O-CB 3.43Å; E288-I308 VanDerWaalsContact O-CG1 3.28Å; E288-I308 WeakPolarHBondContact O-CG1 3.37Å; E288-I308 PolarHBondContact O-N 2.91Å
289F42.8Very low43.6Very low100 Ų100116 Ų11644%0.43960%0.603SS.*EExtended strand (participates in β ladder)trans-112.7135.2179.9-73.3-95.8000109.5E287 R306 K307E287-F289 HydrophobicContact CB-CE2 4Å; E287-F289 WeakPolarHBondContact O-CD2 3.25Å; E287-F289 WeakPolarHBondContact O-CE2 3.42Å; F289-R306 CarbonylContact C-O 3.59Å; F289-R306 WeakPolarHBondContact CA-O 3.25Å; F289-K307 HydrophobicContact CD1-CB 4.05Å; F289-K307 HydrophobicContact CE1-CB 3.65Å; F289-K307 HydrophobicContact CE1-CG 4.19Å; F289-K307 HydrophobicContact CZ-CB 4.26Å; F289-K307 HydrophobicContact CZ-CG 4.31Å
290D42.4Very low43.8Very low107 Ų107118 Ų11857%0.57261%0.611SS**EExtended strand (participates in β ladder)trans-93.3141.2171.1-111.8-24.2000110.1R306 I308D290-R306 PolarHBondContact N-O 3.49Å; D290-R306 PolarHBondContact O-N 3.46Å; D290-I308 HydrophobicContact CB-CD1 4.14Å; D290-I308 HydrophobicContact CB-CG1 4.1Å
291L37.7Very low43.9Very low128 Ų128119 Ų11967%0.6762%0.616SS**EExtended strand (participates in β ladder)trans-94.5115.8173.1-73.7165000108.8I303 T305L291-I303 HydrophobicContact CD2-CG2 3.58Å; L291-T305 HydrophobicContact CD2-CG2 3.62Å
292S45.5Very low44.2Very low50 Ų50117.4 Ų117.435%0.3561%0.605SS.*EExtended strand (participates in β ladder)trans-113.2130.817257.20000110.6Q304S292-Q304 PolarHBondContact N-O 3.22Å; S292-Q304 VanDerWaalsContact N-O 3.14Å; S292-Q304 PolarHBondContact O-N 2.85Å; S292-Q304 VanDerWaalsContact O-N 3.17Å
293E40.9Very low44.2Very low135 Ų135115.8 Ų115.863%0.63160%0.6SS**EExtended strand (participates in β ladder)trans-87.4118.5170-74.8-177.3172.100109.8I303E293-I303 HydrophobicContact CG-CG1 4.49Å
294E48.9Very low45.1Very low125 Ų125117.5 Ų117.558%0.58460%0.6SS**EExtended strand (participates in β ladder)trans-108.3135.8165.7-81.8-174.5170.500110.1Q301 T302E294-Q301 WeakPolarHBondContact O-CA 3.29Å; E294-T302 PolarHBondContact N-O 3.34Å; E294-T302 PolarHBondContact O-N 2.94Å
295T45.1Very low45.3Very low96 Ų96112.1 Ų112.159%0.58959%0.589SS**EExtended strand (participates in β ladder)trans-97.5112.3172.8-40.60000107.4Q301T295-Q301 HydrophobicContact CG2-CG 4.43Å
296S55.9Low45.9Very low52 Ų52115.3 Ų115.336%0.36459%0.591SS.*  trans-63.7156.8173.4620000111.1N298 G299 K300S296-N298 PolarHBondContact O-N 2.86Å; S296-G299 WeakPolarHBondContact O-CA 3.35Å; S296-G299 PolarHBondContact O-N 3.13Å; S296-K300 WeakPolarHBondContact CB-O 3.4Å; S296-K300 PolarHBondContact N-O 3.13Å; S296-K300 WeakPolarHBondContact OG-CA 3Å; S296-K300 WeakPolarHBondContact OG-CB 2.99Å; S296-K300 PolarHBondContact OG-N 3.12Å; S296-K300 VanDerWaalsContact OG-N 3.16Å; S296-K300 PolarHBondContact OG-O 3.2Å
297E61.1Low46.3Very low203 Ų203113.1 Ų113.195%0.94958%0.575SS**THydrogen-bonded Turntrans-55.1-25.7178.9-75.3-176.3156.900113.6G299E297-G299 VanDerWaalsContact C-N 3.26Å; E297-G299 PolarHBondContact O-N 3.05Å
298N63.5Low46.8Very low156 Ų156110.9 Ų110.983%0.83457%0.565SS**THydrogen-bonded Turntrans-88.117.8174.5-75.4-5000113.8S296 K300S296-N298 PolarHBondContact O-N 2.86Å; N298-K300 PolarHBondContact O-N 3.49Å
299G58Low47.4Very low57 Ų57115.4 Ų115.459%0.58859%0.586SS**SBendtrans72.68.6175.700000115.2S296 E297S296-G299 WeakPolarHBondContact O-CA 3.35Å; S296-G299 PolarHBondContact O-N 3.13Å; E297-G299 VanDerWaalsContact C-N 3.26Å; E297-G299 PolarHBondContact O-N 3.05Å
300K45.6Very low47.6Very low154 Ų154115.3 Ų115.367%0.6759%0.591SS**  trans-82.9119.6172.9-78.7179.6176.3177.40109.8S296 N298S296-K300 WeakPolarHBondContact CB-O 3.4Å; S296-K300 PolarHBondContact N-O 3.13Å; S296-K300 WeakPolarHBondContact OG-CA 3Å; S296-K300 WeakPolarHBondContact OG-CB 2.99Å; S296-K300 PolarHBondContact OG-N 3.12Å; S296-K300 VanDerWaalsContact OG-N 3.16Å; S296-K300 PolarHBondContact OG-O 3.2Å; N298-K300 PolarHBondContact O-N 3.49Å
301Q43Very low47.5Very low136 Ų136111.9 Ų111.964%0.63657%0.574SS**EExtended strand (participates in β ladder)trans-71.7127.9166.4-71.8177.6-35.600109.5E294 T295E294-Q301 WeakPolarHBondContact O-CA 3.29Å; T295-Q301 HydrophobicContact CG2-CG 4.43Å
302T42.1Very low47.7Very low79 Ų79113.5 Ų113.549%0.48558%0.578SS.*EExtended strand (participates in β ladder)trans-122.2128170.5-43.90000108E294E294-T302 PolarHBondContact N-O 3.34Å; E294-T302 PolarHBondContact O-N 2.94Å
303I41.3Very low47.7Very low114 Ų114113.5 Ų113.559%0.58558%0.581SS**EExtended strand (participates in β ladder)trans-85.6117.4174.1-61.1172.9000106.8L291 E293L291-I303 HydrophobicContact CD2-CG2 3.58Å; E293-I303 HydrophobicContact CG-CG1 4.49Å
304Q48.8Very low47.5Very low117 Ų117109.2 Ų109.255%0.54757%0.569SS.*EExtended strand (participates in β ladder)trans-106.1140.6168.4-76.8-161.82.900110.4S292S292-Q304 PolarHBondContact N-O 3.22Å; S292-Q304 VanDerWaalsContact N-O 3.14Å; S292-Q304 PolarHBondContact O-N 2.85Å; S292-Q304 VanDerWaalsContact O-N 3.17Å
305T39.7Very low46.7Very low96 Ų96110.3 Ų110.359%0.58957%0.569SS**EExtended strand (participates in β ladder)trans-95.1121.3169.5400000109.1L291L291-T305 HydrophobicContact CD2-CG2 3.62Å
306R48.8Very low46.3Very low193 Ų193113.9 Ų113.973%0.72858%0.579SS**EExtended strand (participates in β ladder)trans-112.5133.2175.8-165.2178.1-174.6-179.92110.2F289 D290F289-R306 CarbonylContact C-O 3.59Å; F289-R306 WeakPolarHBondContact CA-O 3.25Å; D290-R306 PolarHBondContact N-O 3.49Å; D290-R306 PolarHBondContact O-N 3.46Å
307K42.9Very low45.4Very low102 Ų102120 Ų12044%0.44360%0.599SS.*EExtended strand (participates in β ladder)trans-68.6127.2176.5-174.1170.8175.9162.90110.2E287 F289 Q309E287-K307 WeakPolarHBondContact OE1-CE 3.44Å; E287-K307 IonicContact OE1-NZ 2.63Å; E287-K307 PolarHBondContact OE1-NZ 2.8Å; E287-K307 WeakPolarHBondContact OE2-CE 3.32Å; E287-K307 IonicContact OE2-NZ 2.73Å; E287-K307 PolarHBondContact OE2-NZ 3.3Å; F289-K307 HydrophobicContact CD1-CB 4.05Å; F289-K307 HydrophobicContact CE1-CB 3.65Å; F289-K307 HydrophobicContact CE1-CG 4.19Å; F289-K307 HydrophobicContact CZ-CB 4.26Å; F289-K307 HydrophobicContact CZ-CG 4.31Å; K307-Q309 PolarHBondContact O-N 2.87Å
308I48Very low44.2Very low40 Ų40119.2 Ų119.221%0.20559%0.588CS.*  trans-77.3108.1175.7-59.1171.9000108E288 D290 N310E288-I308 HydrophobicContact CB-CD1 4.06Å; E288-I308 HydrophobicContact CG-CD1 4.2Å; E288-I308 WeakPolarHBondContact O-CB 3.43Å; E288-I308 VanDerWaalsContact O-CG1 3.28Å; E288-I308 WeakPolarHBondContact O-CG1 3.37Å; E288-I308 PolarHBondContact O-N 2.91Å; D290-I308 HydrophobicContact CB-CD1 4.14Å; D290-I308 HydrophobicContact CB-CG1 4.1Å; I308-N310 PolarHBondContact O-N 3.35Å
309Q52.7Low42.5Very low183 Ų183114.2 Ų114.286%0.85557%0.574SS**SBendtrans-75.4106.8169-76.4-178.8-30.600108K307K307-Q309 PolarHBondContact O-N 2.87Å
310N47.4Very low41.2Very low99 Ų99118.3 Ų118.353%0.52959%0.588SS.*  trans8078.5176.9-160.71.3000116I308 Q312 A313I308-N310 PolarHBondContact O-N 3.35Å; N310-Q312 VanDerWaalsContact C-N 3.28Å; N310-Q312 PolarHBondContact O-N 3.47Å; N310-A313 PolarHBondContact O-N 3.31Å
311P41.5Very low40.5Very low35 Ų35119 Ų11923%0.22760%0.597CS.*Hα-helixtrans-59.5-34.9179.8-14.623.5000113.5A313 A314 Y315P311-A313 VanDerWaalsContact C-N 3.26Å; P311-A313 PolarHBondContact O-N 3.46Å; P311-A314 WeakPolarHBondContact O-CB 3.44Å; P311-A314 PolarHBondContact O-N 3.22Å; P311-Y315 WeakPolarHBondContact O-CD2 3.33Å
312Q41.6Very low39.9Very low161 Ų161124.8 Ų124.875%0.75262%0.624SS**Hα-helixtrans-63.4-30.9-177.4-76-176-29.600113N310 A314N310-Q312 VanDerWaalsContact C-N 3.28Å; N310-Q312 PolarHBondContact O-N 3.47Å; Q312-A314 VanDerWaalsContact C-N 3.34Å
313A44.1Very low39.8Very low51 Ų51127.1 Ų127.142%0.42163%0.631SS.*Hα-helixtrans-72.7-26.5176.100000112.7N310 P311 Q316N310-A313 PolarHBondContact O-N 3.31Å; P311-A313 VanDerWaalsContact C-N 3.26Å; P311-A313 PolarHBondContact O-N 3.46Å; A313-Q316 PolarHBondContact O-N 2.59Å
314A36.6Very low39.8Very low45 Ų45127.8 Ų127.837%0.37263%0.634SS.*Hα-helixtrans-70.9-37178.700000111.8P311 Q312 Q316 K317 Y318P311-A314 WeakPolarHBondContact O-CB 3.44Å; P311-A314 PolarHBondContact O-N 3.22Å; Q312-A314 VanDerWaalsContact C-N 3.34Å; A314-Q316 VanDerWaalsContact C-N 3.34Å; A314-Q316 PolarHBondContact O-N 3.1Å; A314-K317 WeakPolarHBondContact O-CB 3.42Å; A314-K317 PolarHBondContact O-N 3.23Å; A314-Y318 WeakPolarHBondContact O-CD2 3.37Å
315Y33.2Very low39.3Very low148 Ų148128.4 Ų128.458%0.5864%0.639SS**Hα-helixtrans-69.2-29.2175.9-72-80000113P311 K317 Y318P311-Y315 WeakPolarHBondContact O-CD2 3.33Å; Y315-K317 PolarHBondContact O-N 3.39Å; Y315-Y318 CarbonylContact O-C 3.59Å; Y315-Y318 PolarHBondContact O-N 3.18Å; Y315-Y318 VanDerWaalsContact O-O 3.05Å
316Q36.4Very low39.2Very low171 Ų171130.3 Ų130.380%0.79964%0.642SS**THydrogen-bonded Turntrans-64.7-18.6172.8-82.8-175.4-24.900113.5A313 A314A313-Q316 PolarHBondContact O-N 2.59Å; A314-Q316 VanDerWaalsContact C-N 3.34Å; A314-Q316 PolarHBondContact O-N 3.1Å
317K37.5Very low38.6Very low180 Ų180126.4 Ų126.478%0.78364%0.636SS**THydrogen-bonded Turntrans-78.2-25.3173.4-162.3177.3-180-176.20112.5A314 Y315 G319A314-K317 WeakPolarHBondContact O-CB 3.42Å; A314-K317 PolarHBondContact O-N 3.23Å; Y315-K317 PolarHBondContact O-N 3.39Å; K317-G319 PolarHBondContact O-N 2.86Å
318Y35Very low38.3Very low186 Ų186128 Ų12873%0.72965%0.649SS**SBendtrans-97.581.9174.3-61.8-74.4000107.9A314 Y315 T320A314-Y318 WeakPolarHBondContact O-CD2 3.37Å; Y315-Y318 CarbonylContact O-C 3.59Å; Y315-Y318 PolarHBondContact O-N 3.18Å; Y315-Y318 VanDerWaalsContact O-O 3.05Å; Y318-T320 PolarHBondContact O-N 3.3Å
319G28.9Very low37.7Very low52 Ų52134.3 Ų134.354%0.53668%0.681SS.*  trans-40.4137.6-174.200000113.4K317 I321K317-G319 PolarHBondContact O-N 2.86Å; G319-I321 PolarHBondContact O-N 3.03Å
320T29.7Very low36.5Very low143 Ų143130.5 Ų130.588%0.87767%0.667SS**  trans-41.5107.8162.542.20000109.2Y318 E322Y318-T320 PolarHBondContact O-N 3.3Å; T320-E322 PolarHBondContact O-N 3.43Å
321I31.1Very low35.6Very low167 Ų167133.2 Ų133.286%0.85668%0.679SS**  trans-73.8122.3162.7-56.7176.6000104.6G319G319-I321 PolarHBondContact O-N 3.03Å
322E31.8Very low35.1Very low259 Ų259142.1 Ų142.1100%1.2172%0.72SS**  trans-46.20175.3-70.1177.6144.100114.1T320T320-E322 PolarHBondContact O-N 3.43Å

Retrieved 322 of 322 residues in 383.2 ms (Link to these results)

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