A0A5K4FFC3_SCHMA Loading...

Cadherin EGF LAG seven-pass G-type receptor 1

AlphaFold DB , UniProt , Accession A0A5K4FFC3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 599 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
1M53.7Low53.4Low213 Ų213139.7 Ų139.7100%1.04966%0.662SS**  0-260-70.9-177.486.500114F3 F4M1-F3 PolarHBondContact O-N 3.35Å; M1-F4 PolarHBondContact O-N 3.31Å
2Y55.8Low53Low200 Ų200132.6 Ų132.678%0.78464%0.638SS**Hα-helixtrans-67.6-24.5-179.7-82.9-84000116.5T5Y2-T5 PolarHBondContact O-OG1 2.98Å; Y2-T5 VanDerWaalsContact O-OG1 3.12Å
3F52.4Low52.3Low186 Ų186128.8 Ų128.882%0.81662%0.623SS**Hα-helixtrans-76.7-27.3178.9-89.9-84.1000113.9M1M1-F3 PolarHBondContact O-N 3.35Å
4F52.1Low51.6Low174 Ų174130.1 Ų130.176%0.76362%0.62SS**Hα-helixtrans-77.1-31.2-179.5-94.9-84.9000112.7M1 V8M1-F4 PolarHBondContact O-N 3.31Å; F4-V8 WeakPolarHBondContact O-CG2 3.43Å; F4-V8 PolarHBondContact O-N 3.48Å
5T57Low50.9Low82 Ų82128.5 Ų128.550%0.50362%0.621SS.*Hα-helixtrans-72.5-36.1-179.745.40000112.6Y2 I9Y2-T5 PolarHBondContact O-OG1 2.98Å; Y2-T5 VanDerWaalsContact O-OG1 3.12Å; T5-I9 WeakPolarHBondContact O-CG1 3.32Å; T5-I9 PolarHBondContact O-N 3.1Å
6L53.1Low50.3Low117 Ų117129.2 Ų129.261%0.61363%0.628SS**Hα-helixtrans-66.6-37.2177.3-88.5158000112.8I9 Y10L6-I9 PolarHBondContact O-N 3.25Å; L6-Y10 PolarHBondContact O-N 2.99Å
7F51.8Low49.9Very low158 Ų158132.8 Ų132.869%0.69364%0.635SS**Hα-helixtrans-68.6-36.9-179.2-135.2-89.4000112.4Y10 T11F7-Y10 PolarHBondContact O-N 3.2Å; F7-T11 HydrophobicContact CD1-CG2 4.38Å; F7-T11 PolarHBondContact O-N 3.03Å; F7-T11 PolarHBondContact O-OG1 3.32Å
8V55.7Low49.1Very low87 Ų87129.6 Ų129.653%0.52763%0.629SS.*Hα-helixtrans-71-35.2178.2177.60000111.8F4 T11 S12F4-V8 WeakPolarHBondContact O-CG2 3.43Å; F4-V8 PolarHBondContact O-N 3.48Å; V8-T11 PolarHBondContact O-OG1 2.92Å; V8-S12 VanDerWaalsContact O-CB 3.32Å; V8-S12 WeakPolarHBondContact O-CB 3.44Å; V8-S12 PolarHBondContact O-N 3.09Å; V8-S12 PolarHBondContact O-OG 3.14Å
9I54.7Low48.4Very low99 Ų99130.3 Ų130.351%0.50864%0.636SS.*Hα-helixtrans-68.2-39.9175-65.6167.7000110.1T5 L6 S12 L13T5-I9 WeakPolarHBondContact O-CG1 3.32Å; T5-I9 PolarHBondContact O-N 3.1Å; L6-I9 PolarHBondContact O-N 3.25Å; I9-S12 PolarHBondContact O-N 3.02Å; I9-L13 HydrophobicContact CG2-CD1 3.72Å; I9-L13 WeakPolarHBondContact O-CB 3.48Å; I9-L13 PolarHBondContact O-N 3.29Å
10Y48.9Very low47.8Very low150 Ų150129.4 Ų129.459%0.58864%0.641SS**Hα-helixtrans-66.5-42.2178.6-132.3-100.8000112.2L6 F7 Y14L6-Y10 PolarHBondContact O-N 2.99Å; F7-Y10 PolarHBondContact O-N 3.2Å; Y10-Y14 AromaticContact CD1-CD2 3.74Å; Y10-Y14 HydrophobicContact CD1-CD2 3.74Å; Y10-Y14 AromaticContact CD1-CE2 3.62Å; Y10-Y14 HydrophobicContact CD1-CE2 3.62Å; Y10-Y14 AromaticContact CE1-CD2 3.92Å; Y10-Y14 HydrophobicContact CE1-CD2 3.92Å; Y10-Y14 AromaticContact CE1-CE2 3.28Å; Y10-Y14 HydrophobicContact CE1-CE2 3.28Å; Y10-Y14 WeakPolarHBondContact O-CB 3.43Å; Y10-Y14 WeakPolarHBondContact O-CD2 3.23Å; Y10-Y14 PolarHBondContact O-N 3.48Å
11T52.4Low47.1Very low71 Ų71127.8 Ų127.844%0.43664%0.642SS.*Hα-helixtrans-68.8-37.217654.60000112.3F7 V8 Y14 T15F7-T11 HydrophobicContact CD1-CG2 4.38Å; F7-T11 PolarHBondContact O-N 3.03Å; F7-T11 PolarHBondContact O-OG1 3.32Å; V8-T11 PolarHBondContact O-OG1 2.92Å; T11-Y14 PolarHBondContact O-N 2.86Å; T11-T15 WeakPolarHBondContact O-CG2 3.31Å; T11-T15 PolarHBondContact O-N 2.86Å; T11-T15 PolarHBondContact O-OG1 3.03Å
12S48.1Very low46.6Very low54 Ų54120.7 Ų120.738%0.37861%0.612SS.*Hα-helixtrans-67-39.7177.5-56.70000112.2V8 I9 T15 L16V8-S12 VanDerWaalsContact O-CB 3.32Å; V8-S12 WeakPolarHBondContact O-CB 3.44Å; V8-S12 PolarHBondContact O-N 3.09Å; V8-S12 PolarHBondContact O-OG 3.14Å; I9-S12 PolarHBondContact O-N 3.02Å; S12-T15 WeakPolarHBondContact CA-OG1 3.41Å; S12-T15 PolarHBondContact O-N 3.43Å; S12-T15 PolarHBondContact O-OG1 3.2Å; S12-L16 PolarHBondContact O-N 3.31Å; S12-L16 VanDerWaalsContact O-N 3.17Å
13L44.3Very low45.9Very low84 Ų84114.1 Ų114.144%0.4459%0.59SS.*Hα-helixtrans-68.7-39173.8-81.7159.4000111.9I9 T15 L16 Y17I9-L13 HydrophobicContact CG2-CD1 3.72Å; I9-L13 WeakPolarHBondContact O-CB 3.48Å; I9-L13 PolarHBondContact O-N 3.29Å; L13-T15 VanDerWaalsContact C-N 3.33Å; L13-T15 PolarHBondContact O-N 3.29Å; L13-L16 PolarHBondContact O-N 3.46Å; L13-L16 VanDerWaalsContact O-N 3.16Å; L13-Y17 HydrophobicContact CD2-CE2 4.25Å; L13-Y17 WeakPolarHBondContact O-CD2 3.45Å; L13-Y17 PolarHBondContact O-N 3.3Å
14Y41.9Very low45.7Very low147 Ų147107.3 Ų107.358%0.57656%0.559SS**Hα-helixtrans-66.4-33.9175-95.9-95000112.8Y10 T11 L16 Y17 S18Y10-Y14 AromaticContact CD1-CD2 3.74Å; Y10-Y14 HydrophobicContact CD1-CD2 3.74Å; Y10-Y14 AromaticContact CD1-CE2 3.62Å; Y10-Y14 HydrophobicContact CD1-CE2 3.62Å; Y10-Y14 AromaticContact CE1-CD2 3.92Å; Y10-Y14 HydrophobicContact CE1-CD2 3.92Å; Y10-Y14 AromaticContact CE1-CE2 3.28Å; Y10-Y14 HydrophobicContact CE1-CE2 3.28Å; Y10-Y14 WeakPolarHBondContact O-CB 3.43Å; Y10-Y14 WeakPolarHBondContact O-CD2 3.23Å; Y10-Y14 PolarHBondContact O-N 3.48Å; T11-Y14 PolarHBondContact O-N 2.86Å; Y14-L16 VanDerWaalsContact C-N 3.3Å; Y14-L16 PolarHBondContact O-N 3.33Å; Y14-Y17 PolarHBondContact O-N 3.48Å; Y14-S18 WeakPolarHBondContact O-CB 3.43Å; Y14-S18 PolarHBondContact O-N 3.37Å; Y14-S18 PolarHBondContact O-OG 3.13Å
15T42.2Very low45.6Very low105 Ų105102.1 Ų102.164%0.64454%0.536SS*.Hα-helixtrans-70.4-26.4173510000113.1T11 S12 L13T11-T15 WeakPolarHBondContact O-CG2 3.31Å; T11-T15 PolarHBondContact O-N 2.86Å; T11-T15 PolarHBondContact O-OG1 3.03Å; S12-T15 WeakPolarHBondContact CA-OG1 3.41Å; S12-T15 PolarHBondContact O-N 3.43Å; S12-T15 PolarHBondContact O-OG1 3.2Å; L13-T15 VanDerWaalsContact C-N 3.33Å; L13-T15 PolarHBondContact O-N 3.29Å
16L41.1Very low45.4Very low140 Ų14099.5 Ų99.573%0.73352%0.521SS*.Hα-helixtrans-80.2-28174.6-78.8159.7000113S12 L13 Y14S12-L16 PolarHBondContact O-N 3.31Å; S12-L16 VanDerWaalsContact O-N 3.17Å; L13-L16 PolarHBondContact O-N 3.46Å; L13-L16 VanDerWaalsContact O-N 3.16Å; Y14-L16 VanDerWaalsContact C-N 3.3Å; Y14-L16 PolarHBondContact O-N 3.33Å
17Y42.4Very low45.6Very low190 Ų190100.5 Ų100.575%0.74552%0.517SS*.Hα-helixtrans-97.10.4176.2-79.6-78.4000114.6L13 Y14 N19L13-Y17 HydrophobicContact CD2-CE2 4.25Å; L13-Y17 WeakPolarHBondContact O-CD2 3.45Å; L13-Y17 PolarHBondContact O-N 3.3Å; Y14-Y17 PolarHBondContact O-N 3.48Å; Y17-N19 PolarHBondContact O-N 3Å
18S35.9Very low46.1Very low75 Ų7597.2 Ų97.252%0.52450%0.504SS..  trans-71.584.3164.7-61.80000107.3Y14 P20Y14-S18 WeakPolarHBondContact O-CB 3.43Å; Y14-S18 PolarHBondContact O-N 3.37Å; Y14-S18 PolarHBondContact O-OG 3.13Å; S18-P20 WeakPolarHBondContact O-CD 3.43Å
19N35.9Very low46.6Very low144 Ų14497.7 Ų97.777%0.7750%0.501SS*.  trans-41116.5162.7-94.6-34.6000106.1Y17 S21Y17-N19 PolarHBondContact O-N 3Å; N19-S21 PolarHBondContact O-N 3.44Å
20P35.8Very low47.2Very low112 Ų11297.7 Ų97.773%0.72752%0.515SS*.  trans-54.7115.4177.621.9-30.1000104.3S18 P22S18-P20 WeakPolarHBondContact O-CD 3.43Å; P20-P22 VanDerWaalsContact O-N 3.17Å
21S34Very low48.2Very low95 Ų9593.1 Ų93.166%0.66450%0.497SS*.  trans-45.1131.7176.3-38.20000105.3N19 L23N19-S21 PolarHBondContact O-N 3.44Å; S21-L23 PolarHBondContact O-N 3.32Å
22P43.3Very low49Very low64 Ų6493.3 Ų93.342%0.41650%0.499SS..SBendtrans-74.641.4-173.3-1127.9000110.9P20 Y24 L160P20-P22 VanDerWaalsContact O-N 3.17Å; P22-Y24 VanDerWaalsContact C-N 3.25Å; P22-Y24 PolarHBondContact O-N 3.5Å; P22-L160 HydrophobicContact CB-CD1 3.59Å; P22-L160 HydrophobicContact CG-CD1 3.46Å; P22-L160 VanDerWaalsContact CG-CD1 3.46Å
23L40Very low50Low63 Ų6395.9 Ų95.933%0.3352%0.517SS..  trans-75.187.7168.1-160.769.9000106.1S21 F25 Q51S21-L23 PolarHBondContact O-N 3.32Å; L23-F25 HydrophobicContact CB-CE2 4.12Å; L23-F25 HydrophobicContact CB-CZ 4.38Å; L23-F25 HydrophobicContact CD2-CE1 3.96Å; L23-F25 HydrophobicContact CD2-CE2 3.76Å; L23-F25 HydrophobicContact CD2-CZ 3.23Å; L23-F25 HydrophobicContact CG-CE1 4.24Å; L23-F25 HydrophobicContact CG-CE2 3.99Å; L23-F25 HydrophobicContact CG-CZ 3.75Å; L23-F25 WeakPolarHBondContact O-CD2 3.29Å; L23-F25 WeakPolarHBondContact O-CE2 3.36Å; L23-F25 PolarHBondContact O-N 3.19Å; L23-F25 VanDerWaalsContact O-N 3.14Å; L23-Q51 HydrophobicContact CD1-CB 4.34Å; L23-Q51 HydrophobicContact CD1-CG 4.41Å
24Y49.6Very low51.2Low43 Ų4396.9 Ų96.917%0.16953%0.531CS..  trans-70.1108.4-178.2-175-94.4000110.6P22 T26 G106 N107 V110 Y147P22-Y24 VanDerWaalsContact C-N 3.25Å; P22-Y24 PolarHBondContact O-N 3.5Å; Y24-T26 HydrophobicContact CD1-CG2 3.88Å; Y24-T26 HydrophobicContact CE1-CG2 3.35Å; Y24-G106 VanDerWaalsContact CZ-CA 3.47Å; Y24-G106 WeakPolarHBondContact OH-CA 3.42Å; Y24-G106 PolarHBondContact OH-N 3.06Å; Y24-G106 PolarHBondContact OH-O 3.09Å; Y24-N107 PolarHBondContact OH-N 3.41Å; Y24-V110 HydrophobicContact CE1-CG2 3.89Å; Y24-V110 WeakPolarHBondContact OH-CG2 3.3Å; Y24-Y147 HydrophobicContact CD1-CD1 4.07Å; Y24-Y147 AromaticContact CD1-CE1 3.75Å; Y24-Y147 HydrophobicContact CD1-CE1 3.75Å; Y24-Y147 AromaticContact CD2-CE1 3.64Å; Y24-Y147 HydrophobicContact CD2-CE1 3.64Å; Y24-Y147 AromaticContact CD2-CZ 3.98Å; Y24-Y147 AromaticContact CE1-CD1 3.8Å; Y24-Y147 HydrophobicContact CE1-CD1 3.8Å; Y24-Y147 AromaticContact CE1-CE1 3.52Å; Y24-Y147 HydrophobicContact CE1-CE1 3.52Å; Y24-Y147 HydrophobicContact CE2-CD1 4.42Å; Y24-Y147 AromaticContact CE2-CE1 3.36Å; Y24-Y147 HydrophobicContact CE2-CE1 3.36Å; Y24-Y147 HydrophobicContact CE2-CE2 4.33Å; Y24-Y147 AromaticContact CE2-CZ 3.31Å; Y24-Y147 WeakPolarHBondContact CE2-OH 3.41Å; Y24-Y147 HydrophobicContact CG-CD1 4.45Å; Y24-Y147 AromaticContact CG-CE1 3.74Å; Y24-Y147 HydrophobicContact CG-CE1 3.74Å; Y24-Y147 AromaticContact CZ-CD1 3.93Å; Y24-Y147 AromaticContact CZ-CE1 3.26Å; Y24-Y147 AromaticContact CZ-CZ 3.33Å; Y24-Y147 WeakPolarHBondContact OH-CE2 3.33Å
25F49.7Very low52.7Low64 Ų6491.3 Ų91.328%0.28151%0.511SS..  trans-97.3109.9176-65.4-74.8000110.4L23 Y27 R49 N107L23-F25 HydrophobicContact CB-CE2 4.12Å; L23-F25 HydrophobicContact CB-CZ 4.38Å; L23-F25 HydrophobicContact CD2-CE1 3.96Å; L23-F25 HydrophobicContact CD2-CE2 3.76Å; L23-F25 HydrophobicContact CD2-CZ 3.23Å; L23-F25 HydrophobicContact CG-CE1 4.24Å; L23-F25 HydrophobicContact CG-CE2 3.99Å; L23-F25 HydrophobicContact CG-CZ 3.75Å; L23-F25 WeakPolarHBondContact O-CD2 3.29Å; L23-F25 WeakPolarHBondContact O-CE2 3.36Å; L23-F25 PolarHBondContact O-N 3.19Å; L23-F25 VanDerWaalsContact O-N 3.14Å; F25-Y27 HydrophobicContact CB-CD2 3.86Å; F25-Y27 HydrophobicContact CB-CE2 3.28Å; F25-Y27 HydrophobicContact CD2-CE2 4.48Å; F25-Y27 AromaticContact CG-CE2 3.97Å; F25-Y27 HydrophobicContact CG-CE2 3.97Å; F25-Y27 PolarHBondContact O-N 3.5Å; F25-R49 HydrophobicContact CD1-CG 4.41Å; F25-R49 HydrophobicContact CE1-CG 3.87Å; F25-N107 PolarHBondContact O-ND2 2.85Å; F25-N107 PolarHBondContact O-OD1 3.33Å
26T51.8Low54.3Low28 Ų2888 Ų8817%0.17249%0.494CS..  trans-72.895.4165.359.90000110Y24 N107 V110 R140Y24-T26 HydrophobicContact CD1-CG2 3.88Å; Y24-T26 HydrophobicContact CE1-CG2 3.35Å; T26-N107 WeakPolarHBondContact CA-OD1 3.43Å; T26-V110 HydrophobicContact CG2-CB 4.05Å; T26-V110 HydrophobicContact CG2-CG1 3.73Å; T26-V110 HydrophobicContact CG2-CG2 4.28Å; T26-R140 PolarHBondContact OG1-NE 3.25Å; T26-R140 PolarHBondContact OG1-NH2 3.36Å
27Y59Low55.9Low137 Ų13792.5 Ų92.554%0.53750%0.502SS..PPolyproline II helixtrans-86.8147.8159.5-59.7-74000108.5F25 E29 N107F25-Y27 HydrophobicContact CB-CD2 3.86Å; F25-Y27 HydrophobicContact CB-CE2 3.28Å; F25-Y27 HydrophobicContact CD2-CE2 4.48Å; F25-Y27 AromaticContact CG-CE2 3.97Å; F25-Y27 HydrophobicContact CG-CE2 3.97Å; F25-Y27 PolarHBondContact O-N 3.5Å; Y27-E29 PolarHBondContact O-N 3.45Å; Y27-N107 PolarHBondContact N-ND2 3.29Å
28Q61.1Low57.8Low89 Ų8987.7 Ų87.742%0.41649%0.485SS..PPolyproline II helixtrans-75119166.3-75-166.3-34.100108.3
29E66.2Low60Low98 Ų9884.1 Ų84.146%0.45846%0.46SS..PPolyproline II helixtrans-97.7164.5171.1-69.8168.5-159.600109.6Y27 W31 N107 M111Y27-E29 PolarHBondContact O-N 3.45Å; E29-W31 PolarHBondContact O-N 3.1Å; E29-N107 WeakPolarHBondContact OE1-CB 3.5Å; E29-N107 PolarHBondContact OE1-ND2 3.49Å; E29-M111 HydrophobicContact CB-SD 4.05Å; E29-M111 PolarHBondContact N-SD 3.44Å; E29-M111 VanDerWaalsContact N-SD 3.35Å; E29-M111 WeakPolarHBondContact O-CE 3.5Å
30A67.6Low61.8Low98 Ų9881.9 Ų81.981%0.8146%0.455SS*.PPolyproline II helixtrans-61132.6170.200000109.2
31W69.5Low63.6Low55 Ų5580 Ų8021%0.20846%0.456CS..PPolyproline II helixtrans-59.8137.6175.5-64105.6000110.1E29 L35 A36 C39 T42 M111 C115E29-W31 PolarHBondContact O-N 3.1Å; W31-L35 HydrophobicContact CE3-CB 4.36Å; W31-A36 HydrophobicContact CB-CB 4.06Å; W31-C39 HydrophobicContact CD2-CB 3.64Å; W31-C39 HydrophobicContact CE3-CB 3.81Å; W31-C39 HydrophobicContact CG-CB 4.23Å; W31-C39 HydrophobicContact CH2-CB 3.93Å; W31-C39 HydrophobicContact CZ2-CB 3.77Å; W31-C39 HydrophobicContact CZ3-CB 3.93Å; W31-T42 HydrophobicContact CZ2-CG2 4.47Å; W31-M111 HydrophobicContact CD2-CE 3.78Å; W31-M111 HydrophobicContact CE3-CB 4.4Å; W31-M111 HydrophobicContact CE3-CE 3.83Å; W31-M111 HydrophobicContact CH2-CB 3.72Å; W31-M111 HydrophobicContact CH2-CE 3.86Å; W31-M111 HydrophobicContact CH2-CG 4.48Å; W31-M111 WeakPolarHBondContact CH2-O 3.48Å; W31-M111 HydrophobicContact CZ2-CE 3.79Å; W31-M111 HydrophobicContact CZ3-CB 3.56Å; W31-M111 HydrophobicContact CZ3-CE 3.89Å; W31-M111 WeakPolarHBondContact CZ3-O 3.48Å; W31-C115 HydrophobicContact CH2-CB 3.79Å; W31-C115 HydrophobicContact CZ3-CB 4.02Å
32P69.8Low65.8Low75 Ų7576.3 Ų76.349%0.48743%0.43SS..PPolyproline II helixtrans-52.8145.2165.5-2332.2000109.9S34 L35 A36P32-S34 PolarHBondContact O-N 3.46Å; P32-L35 HydrophobicContact CG-CD1 4.49Å; P32-L35 WeakPolarHBondContact O-CA 3.41Å; P32-L35 PolarHBondContact O-N 3.01Å; P32-A36 PolarHBondContact O-N 3.07Å
33S68.2Low67.3Low108 Ų10875 Ų7576%0.75542%0.421SS*.Hα-helixtrans-53.4-33.3-176.2-37.80000112.9L35S33-L35 PolarHBondContact O-N 3.18Å
34S70.9Confident68.7Low104 Ų10477.9 Ų77.973%0.72744%0.436SS*.Hα-helixtrans-66-22.2176.357.50000114.3P32P32-S34 PolarHBondContact O-N 3.46Å
35L73.5Confident69.8Low31 Ų3176.9 Ų76.916%0.16243%0.433CS..Hα-helixtrans-110.2-21.4-178.2-63.4-172.1000113.3W31 P32 S33 W37 K38 C39W31-L35 HydrophobicContact CE3-CB 4.36Å; P32-L35 HydrophobicContact CG-CD1 4.49Å; P32-L35 WeakPolarHBondContact O-CA 3.41Å; P32-L35 PolarHBondContact O-N 3.01Å; S33-L35 PolarHBondContact O-N 3.18Å; L35-W37 VanDerWaalsContact C-N 3.33Å; L35-W37 PolarHBondContact O-N 3.08Å; L35-K38 PolarHBondContact O-N 3.32Å; L35-C39 WeakPolarHBondContact O-CB 3.48Å; L35-C39 PolarHBondContact O-N 3.16Å; L35-C39 PolarHBondContact O-SG 2.56Å
36A75.9Confident70.6Confident34 Ų3480.4 Ų80.428%0.28145%0.448SS..Hα-helixtrans-52.6-47.2-174.100000112.9W31 P32 K38 C39 S40W31-A36 HydrophobicContact CB-CB 4.06Å; P32-A36 PolarHBondContact O-N 3.07Å; A36-K38 PolarHBondContact O-N 3.33Å; A36-C39 PolarHBondContact O-N 3.18Å; A36-S40 VanDerWaalsContact O-CB 3.26Å; A36-S40 WeakPolarHBondContact O-CB 3.26Å; A36-S40 PolarHBondContact O-N 3.26Å
37W74.6Confident71.1Confident236 Ų23682.3 Ų82.389%0.89447%0.473SS*.Hα-helixtrans-65.8-35.9178.5-64.5101.4000113.5L35L35-W37 VanDerWaalsContact C-N 3.33Å; L35-W37 PolarHBondContact O-N 3.08Å
38K81Confident71.5Confident89 Ų8978 Ų7839%0.38746%0.458SS..Hα-helixtrans-77-29.1179.3-179.5177.3176.4-173.50112.2L35 A36 E116 N119L35-K38 PolarHBondContact O-N 3.32Å; A36-K38 PolarHBondContact O-N 3.33Å; K38-E116 IonicContact NZ-OE1 3.76Å; K38-E116 PolarHBondContact NZ-OE1 3.03Å; K38-E116 IonicContact NZ-OE2 2.81Å; K38-E116 PolarHBondContact NZ-OE2 3.22Å; K38-N119 WeakPolarHBondContact CE-ND2 3.19Å; K38-N119 WeakPolarHBondContact CG-ND2 3.26Å; K38-N119 PolarHBondContact O-ND2 3.45Å; K38-N119 PolarHBondContact O-OD1 3.41Å
39C83.2Confident71.8Confident0 Ų082.4 Ų82.40%047%0.471CS..Hα-helixtrans-115.7-1.8-166.2-53.40000114.5W31 L35 A36 G41 T42 C115W31-C39 HydrophobicContact CD2-CB 3.64Å; W31-C39 HydrophobicContact CE3-CB 3.81Å; W31-C39 HydrophobicContact CG-CB 4.23Å; W31-C39 HydrophobicContact CH2-CB 3.93Å; W31-C39 HydrophobicContact CZ2-CB 3.77Å; W31-C39 HydrophobicContact CZ3-CB 3.93Å; L35-C39 WeakPolarHBondContact O-CB 3.48Å; L35-C39 PolarHBondContact O-N 3.16Å; L35-C39 PolarHBondContact O-SG 2.56Å; A36-C39 PolarHBondContact O-N 3.18Å; C39-G41 PolarHBondContact O-N 2.99Å; C39-G41 VanDerWaalsContact O-N 3.12Å; C39-T42 WeakPolarHBondContact O-CB 3.49Å; C39-T42 PolarHBondContact O-N 3.1Å; C39-T42 PolarHBondContact O-OG1 3.26Å; C39-C115 VanDerWaalsContact CA-SG 3.53Å; C39-C115 HydrophobicContact CB-CB 3.7Å; C39-C115 WeakPolarHBondContact CB-SG 3.48Å; C39-C115 WeakPolarHBondContact SG-CB 3.46Å; C39-C115 CovalentContact SG-SG 2.02Å; C39-C115 PolarHBondContact SG-SG 2.98Å
40S72.9Confident72.3Confident97 Ų9778 Ų7868%0.67845%0.451SS*.THydrogen-bonded Turntrans-57.3-27.3-175.556.40000114.7A36A36-S40 VanDerWaalsContact O-CB 3.26Å; A36-S40 WeakPolarHBondContact O-CB 3.26Å; A36-S40 PolarHBondContact O-N 3.26Å
41G73.2Confident72.9Confident73 Ų7378 Ų7875%0.75343%0.434SS*.THydrogen-bonded Turntrans-88.14.1178.500000115.7C39C39-G41 PolarHBondContact O-N 2.99Å; C39-G41 VanDerWaalsContact O-N 3.12Å
42T81Confident73.9Confident17 Ų1777.4 Ų77.410%0.10443%0.433CS..  trans-72.2127.5-175.7-50.50000110.5W31 C39 N114 M118W31-T42 HydrophobicContact CZ2-CG2 4.47Å; C39-T42 WeakPolarHBondContact O-CB 3.49Å; C39-T42 PolarHBondContact O-N 3.1Å; C39-T42 PolarHBondContact O-OG1 3.26Å; T42-N114 HydrophobicContact CG2-CB 4.29Å; T42-N114 VanDerWaalsContact CG2-ND2 3.34Å; T42-N114 WeakPolarHBondContact CG2-ND2 3.44Å; T42-N114 WeakPolarHBondContact CG2-OD1 3.43Å; T42-M118 HydrophobicContact CG2-CB 4.26Å; T42-M118 HydrophobicContact CG2-CG 3.94Å
43P74.2Confident74.9Confident35 Ų3573.9 Ų73.923%0.22741%0.41CS..  trans-63.4148.1-177.725.6-35000112.4L45 M118P43-L45 PolarHBondContact O-N 3.15Å; P43-M118 HydrophobicContact CG-CE 3.84Å; P43-M118 HydrophobicContact CG-CG 4.44Å; P43-M118 HydrophobicContact CG-SD 4.09Å
44I70.2Confident76Confident125 Ų12569.3 Ų69.364%0.64138%0.376SS*.  trans-72.5112.4174.7-54.8-176000109.3
45L72.4Confident77Confident22 Ų2267.8 Ų67.812%0.11536%0.358CS..PPolyproline II helixtrans-77.9130.6174.5-55.8-176.8000108.6P43 G47 T136 F139 L143P43-L45 PolarHBondContact O-N 3.15Å; L45-G47 PolarHBondContact O-N 3.47Å; L45-T136 HydrophobicContact CD2-CG2 4.27Å; L45-F139 HydrophobicContact CD1-CD1 4.25Å; L45-F139 HydrophobicContact CD1-CE1 4.35Å; L45-F139 HydrophobicContact CD2-CB 4.48Å; L45-F139 HydrophobicContact CD2-CD1 3.47Å; L45-F139 VanDerWaalsContact CD2-CD1 3.47Å; L45-F139 HydrophobicContact CD2-CE1 4Å; L45-F139 HydrophobicContact CD2-CG 4.26Å; L45-F139 HydrophobicContact CG-CD1 4.49Å; L45-L143 HydrophobicContact CD1-CD1 3.31Å; L45-L143 HydrophobicContact CD1-CG 4.48Å
46K66.5Low77.8Confident138 Ų13866.3 Ų66.360%0.635%0.35SS*.PPolyproline II helixtrans-60.4127.9172.3-73.5-171.5175.5-176.50108.2Q48K46-Q48 PolarHBondContact O-N 3.36Å
47G63Low78.7Confident67 Ų6764.7 Ų64.769%0.69134%0.337SS*.PPolyproline II helixtrans-56.3128.9172.900000109.5L45L45-G47 PolarHBondContact O-N 3.47Å
48Q66.6Low79.5Confident48 Ų4858.6 Ų58.622%0.22432%0.317CS..  trans-129.5135.7175.8-173.9160.9100108.7K46 V50 R140K46-Q48 PolarHBondContact O-N 3.36Å; Q48-V50 HydrophobicContact CG-CG2 4Å; Q48-R140 HydrophobicContact CB-CG 3.96Å
49R66.3Low80Confident181 Ų18155.5 Ų55.568%0.68331%0.305SS*.  trans-96.7116.3177.8-62.9-173.6179.3-160-7107.8F25F25-R49 HydrophobicContact CD1-CG 4.41Å; F25-R49 HydrophobicContact CE1-CG 3.87Å
50V76.6Confident80.5Confident6 Ų655.7 Ų55.74%0.03631%0.306CS..  trans-130.6122.8175.2-175.70000105.7Q48 F52 E55 A56 R148Q48-V50 HydrophobicContact CG-CG2 4Å; V50-F52 WeakPolarHBondContact CG1-O 3.27Å; V50-E55 HydrophobicContact CG1-CB 3.34Å; V50-A56 HydrophobicContact CG1-CB 3.83Å; V50-A56 HydrophobicContact CG2-CB 4.46Å; V50-R148 PolarHBondContact O-NH2 2.9Å
51Q82.1Confident81.6Confident98 Ų9851.7 Ų51.746%0.45828%0.276SS..SBendtrans-82-35.8179-171.5173.9-10.200111.7L23 E55 R148L23-Q51 HydrophobicContact CD1-CB 4.34Å; L23-Q51 HydrophobicContact CD1-CG 4.41Å; Q51-E55 PolarHBondContact N-OE2 3.17Å; Q51-R148 VanDerWaalsContact C-NH2 3.34Å; Q51-R148 PolarHBondContact O-NH1 3.25Å; Q51-R148 PolarHBondContact O-NH2 3.03Å
52F89Confident82.4Confident42 Ų4253.6 Ų53.618%0.18427%0.269CS..SBendtrans-130.8161.6-172.8-51-70.2000113.2V50 E54 E55 A56 L160V50-F52 WeakPolarHBondContact CG1-O 3.27Å; F52-E54 VanDerWaalsContact C-N 3.27Å; F52-E54 VanDerWaalsContact CB-OE2 3.23Å; F52-E54 WeakPolarHBondContact CB-OE2 3.03Å; F52-E54 PolarHBondContact O-N 3.13Å; F52-E55 HydrophobicContact CD2-CG 4.33Å; F52-E55 WeakPolarHBondContact CD2-OE1 3.44Å; F52-E55 PolarHBondContact O-N 3.32Å; F52-A56 PolarHBondContact O-N 3.48Å; F52-L160 HydrophobicContact CD1-CD2 4.24Å; F52-L160 HydrophobicContact CE1-CD2 3.73Å
53I91.6Very high82.9Confident0 Ų054.1 Ų54.10%027%0.272CS..Hα-helixtrans-61.3-35.5178.7-170167.9000112.5E55 A56 T57 P80 R148 L149I53-E55 VanDerWaalsContact C-N 3.34Å; I53-E55 PolarHBondContact O-N 3.48Å; I53-A56 WeakPolarHBondContact O-CB 3.21Å; I53-A56 PolarHBondContact O-N 3.45Å; I53-A56 VanDerWaalsContact O-N 3.14Å; I53-T57 PolarHBondContact O-N 2.94Å; I53-T57 PolarHBondContact O-OG1 2.94Å; I53-P80 HydrophobicContact CD1-CG 3.89Å; I53-R148 HydrophobicContact CB-CB 4.23Å; I53-R148 HydrophobicContact CD1-CB 4.31Å; I53-R148 HydrophobicContact CG1-CB 4.31Å; I53-L149 HydrophobicContact CD1-CB 4.15Å
54E91.4Very high83.5Confident12 Ų1253 Ų536%0.05626%0.264CS..Hα-helixtrans-69.7-32.5-178.9-56.383178.300112.1F52 A56 T57 K58 V78 P163 D164 R167F52-E54 VanDerWaalsContact C-N 3.27Å; F52-E54 VanDerWaalsContact CB-OE2 3.23Å; F52-E54 WeakPolarHBondContact CB-OE2 3.03Å; F52-E54 PolarHBondContact O-N 3.13Å; E54-A56 VanDerWaalsContact C-N 3.31Å; E54-T57 WeakPolarHBondContact O-CB 3.47Å; E54-T57 PolarHBondContact O-N 3.3Å; E54-K58 WeakPolarHBondContact O-CB 3.11Å; E54-K58 PolarHBondContact O-N 3.5Å; E54-V78 HydrophobicContact CG-CB 4.27Å; E54-V78 HydrophobicContact CG-CG1 4.3Å; E54-V78 HydrophobicContact CG-CG2 4.25Å; E54-P163 WeakPolarHBondContact OE1-CA 3.33Å; E54-D164 PolarHBondContact OE1-N 3.09Å; E54-R167 IonicContact OE1-CZ 3.48Å; E54-R167 IonicContact OE1-NH1 2.8Å; E54-R167 PolarHBondContact OE1-NH1 3.5Å; E54-R167 WeakPolarHBondContact OE2-CD 3.32Å; E54-R167 IonicContact OE2-CZ 2.57Å; E54-R167 IonicContact OE2-NE 3.46Å; E54-R167 IonicContact OE2-NH1 2.91Å; E54-R167 PolarHBondContact OE2-NH1 3.12Å
55E90.7Very high84.1Confident73 Ų7354.6 Ų54.634%0.34127%0.271SS..Hα-helixtrans-67.1-35.8172.8-72.3178.9-177.600110.8V50 Q51 F52 I53 K58 V59V50-E55 HydrophobicContact CG1-CB 3.34Å; Q51-E55 PolarHBondContact N-OE2 3.17Å; F52-E55 HydrophobicContact CD2-CG 4.33Å; F52-E55 WeakPolarHBondContact CD2-OE1 3.44Å; F52-E55 PolarHBondContact O-N 3.32Å; I53-E55 VanDerWaalsContact C-N 3.34Å; I53-E55 PolarHBondContact O-N 3.48Å; E55-K58 WeakPolarHBondContact O-CB 3.32Å; E55-K58 PolarHBondContact O-N 3.27Å; E55-V59 WeakPolarHBondContact O-CG2 3.36Å; E55-V59 PolarHBondContact O-N 3Å
56A91.5Very high84.5Confident0 Ų057.7 Ų57.70%029%0.294CS..Hα-helixtrans-68.5-41.9173.600000110.6V50 F52 I53 E54 K58 V59 Y60 D144 I145V50-A56 HydrophobicContact CG1-CB 3.83Å; V50-A56 HydrophobicContact CG2-CB 4.46Å; F52-A56 PolarHBondContact O-N 3.48Å; I53-A56 WeakPolarHBondContact O-CB 3.21Å; I53-A56 PolarHBondContact O-N 3.45Å; I53-A56 VanDerWaalsContact O-N 3.14Å; E54-A56 VanDerWaalsContact C-N 3.31Å; A56-K58 VanDerWaalsContact C-N 3.31Å; A56-K58 PolarHBondContact O-N 3.11Å; A56-V59 PolarHBondContact O-N 2.03Å; A56-Y60 WeakPolarHBondContact O-CB 3.39Å; A56-Y60 PolarHBondContact O-N 2.04Å; A56-D144 HydrophobicContact CB-CB 3.64Å; A56-I145 HydrophobicContact CB-CD1 4.4Å; A56-I145 HydrophobicContact CB-CG1 3.67Å
57T93.9Very high85.4Confident0 Ų052.9 Ų52.90%028%0.284CS..Hα-helixtrans-58.1-43.3172.4-60.90000111.7I53 E54 Y60 Y61 I77 P81I53-T57 PolarHBondContact O-N 2.94Å; I53-T57 PolarHBondContact O-OG1 2.94Å; E54-T57 WeakPolarHBondContact O-CB 3.47Å; E54-T57 PolarHBondContact O-N 3.3Å; T57-Y60 WeakPolarHBondContact O-CB 3.41Å; T57-Y60 PolarHBondContact O-N 3.37Å; T57-Y61 HydrophobicContact CG2-CD2 3.8Å; T57-Y61 HydrophobicContact CG2-CE2 3.36Å; T57-Y61 VanDerWaalsContact O-CD2 3.31Å; T57-Y61 WeakPolarHBondContact O-CD2 3.03Å; T57-Y61 PolarHBondContact O-N 2.87Å; T57-I77 WeakPolarHBondContact CB-O 3.4Å; T57-I77 HydrophobicContact CG2-CG1 4.19Å; T57-I77 VanDerWaalsContact CG2-O 3.24Å; T57-I77 WeakPolarHBondContact CG2-O 3.29Å; T57-P81 HydrophobicContact CG2-CG 4.09Å
58K92.7Very high86.8Confident108 Ų10854.4 Ų54.447%0.4727%0.269SS..Hα-helixtrans-58.6-52175.4-177.9167.5-177.7-175.70111.6E54 E55 A56 Y60 Y61 D62 I77E54-K58 WeakPolarHBondContact O-CB 3.11Å; E54-K58 PolarHBondContact O-N 3.5Å; E55-K58 WeakPolarHBondContact O-CB 3.32Å; E55-K58 PolarHBondContact O-N 3.27Å; A56-K58 VanDerWaalsContact C-N 3.31Å; A56-K58 PolarHBondContact O-N 3.11Å; K58-Y60 VanDerWaalsContact C-N 3.27Å; K58-Y60 PolarHBondContact O-N 3.15Å; K58-Y61 PolarHBondContact O-N 2.98Å; K58-D62 VanDerWaalsContact CE-OD2 3.28Å; K58-D62 WeakPolarHBondContact CE-OD2 3.42Å; K58-D62 VanDerWaalsContact CG-OD2 3.26Å; K58-D62 WeakPolarHBondContact CG-OD2 3.43Å; K58-D62 WeakPolarHBondContact O-CB 3.45Å; K58-D62 VanDerWaalsContact O-CG 3.25Å; K58-D62 PolarHBondContact O-N 2.95Å; K58-I77 HydrophobicContact CB-CD1 3.38Å; K58-I77 HydrophobicContact CB-CG1 3.96Å; K58-I77 HydrophobicContact CD-CD1 3.92Å; K58-I77 HydrophobicContact CG-CD1 3.61Å
59V91.5Very high88.1Confident23 Ų2354.8 Ų54.814%0.13927%0.27CS..Hα-helixtrans-58.6-43.7178.9168.80000110.8E55 A56 Y61 D62 T63 A141E55-V59 WeakPolarHBondContact O-CG2 3.36Å; E55-V59 PolarHBondContact O-N 3Å; A56-V59 PolarHBondContact O-N 2.03Å; V59-Y61 VanDerWaalsContact C-N 3.35Å; V59-Y61 PolarHBondContact O-N 3.08Å; V59-D62 PolarHBondContact O-N 3.39Å; V59-T63 HydrophobicContact CG1-CG2 4.36Å; V59-T63 WeakPolarHBondContact O-CB 3.04Å; V59-T63 WeakPolarHBondContact O-CG2 3.27Å; V59-T63 PolarHBondContact O-N 2.93Å; V59-T63 PolarHBondContact O-OG1 3.34Å; V59-A141 HydrophobicContact CB-CB 4.17Å; V59-A141 HydrophobicContact CG1-CB 3.8Å
60Y93.9Very high89.3Confident5 Ų553.5 Ų53.52%0.0228%0.275CS..Hα-helixtrans-54.9-50.9177.4171.8-100.2000111A56 T57 K58 L64 F69 P81 S83 I84 I138 I142 I145A56-Y60 WeakPolarHBondContact O-CB 3.39Å; A56-Y60 PolarHBondContact O-N 2.04Å; T57-Y60 WeakPolarHBondContact O-CB 3.41Å; T57-Y60 PolarHBondContact O-N 3.37Å; K58-Y60 VanDerWaalsContact C-N 3.27Å; K58-Y60 PolarHBondContact O-N 3.15Å; Y60-L64 HydrophobicContact CD1-CD1 4.03Å; Y60-L64 HydrophobicContact CE1-CD1 3.58Å; Y60-L64 HydrophobicContact CE2-CD1 4.15Å; Y60-L64 VanDerWaalsContact O-CG 3.29Å; Y60-L64 WeakPolarHBondContact O-CG 3.4Å; Y60-L64 PolarHBondContact O-N 2.92Å; Y60-F69 WeakPolarHBondContact OH-CD2 3.25Å; Y60-F69 WeakPolarHBondContact OH-CE2 3.38Å; Y60-P81 HydrophobicContact CD1-CB 4.1Å; Y60-P81 HydrophobicContact CD1-CG 3.46Å; Y60-P81 VanDerWaalsContact CD1-CG 3.46Å; Y60-P81 HydrophobicContact CE1-CB 3.73Å; Y60-P81 HydrophobicContact CE1-CG 3.65Å; Y60-P81 HydrophobicContact CG-CG 4.27Å; Y60-S83 PolarHBondContact OH-OG 3.46Å; Y60-I84 HydrophobicContact CD2-CD1 4.23Å; Y60-I84 HydrophobicContact CE2-CD1 4.1Å; Y60-I84 HydrophobicContact CE2-CG1 4.41Å; Y60-I138 HydrophobicContact CD2-CG2 3.55Å; Y60-I138 HydrophobicContact CE2-CG2 3.75Å; Y60-I142 HydrophobicContact CD2-CD1 4.32Å; Y60-I142 HydrophobicContact CD2-CG1 3.71Å; Y60-I142 HydrophobicContact CE2-CD1 3.93Å; Y60-I142 HydrophobicContact CE2-CG1 3.72Å; Y60-I145 HydrophobicContact CG-CD1 4.49Å
61Y94.3Very high90Very high12 Ų1256.9 Ų56.95%0.04729%0.29CS..Hα-helixtrans-69.5-43.5178.6-65.7-45.1000113.6T57 K58 V59 T63 L64 R68 D72 P81T57-Y61 HydrophobicContact CG2-CD2 3.8Å; T57-Y61 HydrophobicContact CG2-CE2 3.36Å; T57-Y61 VanDerWaalsContact O-CD2 3.31Å; T57-Y61 WeakPolarHBondContact O-CD2 3.03Å; T57-Y61 PolarHBondContact O-N 2.87Å; K58-Y61 PolarHBondContact O-N 2.98Å; V59-Y61 VanDerWaalsContact C-N 3.35Å; V59-Y61 PolarHBondContact O-N 3.08Å; Y61-T63 PolarHBondContact O-N 3.16Å; Y61-L64 HydrophobicContact CD1-CD1 4.3Å; Y61-L64 PolarHBondContact O-N 2.89Å; Y61-R68 HydrophobicContact CD1-CB 4.45Å; Y61-R68 HydrophobicContact CD1-CG 3.68Å; Y61-R68 HydrophobicContact CE1-CG 4.1Å; Y61-R68 VanDerWaalsContact CE2-NH1 3.31Å; Y61-R68 HydrophobicContact CG-CG 4.17Å; Y61-D72 HydrophobicContact CE1-CB 3.72Å; Y61-P81 HydrophobicContact CE1-CB 4.23Å; Y61-P81 HydrophobicContact CE1-CG 4.13Å; Y61-P81 HydrophobicContact CE2-CG 4.39Å; Y61-P81 WeakPolarHBondContact OH-CA 3.32Å; Y61-P81 WeakPolarHBondContact OH-CB 3.08Å
62D91.9Very high90.7Very high114 Ų11452.2 Ų52.261%0.6127%0.268SS*.Hα-helixtrans-66.9-23.9-176.8-71.4-7.9000112.5K58 V59K58-D62 VanDerWaalsContact CE-OD2 3.28Å; K58-D62 WeakPolarHBondContact CE-OD2 3.42Å; K58-D62 VanDerWaalsContact CG-OD2 3.26Å; K58-D62 WeakPolarHBondContact CG-OD2 3.43Å; K58-D62 WeakPolarHBondContact O-CB 3.45Å; K58-D62 VanDerWaalsContact O-CG 3.25Å; K58-D62 PolarHBondContact O-N 2.95Å; V59-D62 PolarHBondContact O-N 3.39Å
63T89.6Confident90.8Very high27 Ų2757.6 Ų57.617%0.16629%0.292CS..Hα-helixtrans-98.8-4.8-179.557.10000114.1V59 Y61 M65 N135 K137 I138V59-T63 HydrophobicContact CG1-CG2 4.36Å; V59-T63 WeakPolarHBondContact O-CB 3.04Å; V59-T63 WeakPolarHBondContact O-CG2 3.27Å; V59-T63 PolarHBondContact O-N 2.93Å; V59-T63 PolarHBondContact O-OG1 3.34Å; Y61-T63 PolarHBondContact O-N 3.16Å; T63-M65 PolarHBondContact O-N 3.27Å; T63-N135 PolarHBondContact O-ND2 2.87Å; T63-K137 HydrophobicContact CG2-CB 4.23Å; T63-K137 HydrophobicContact CG2-CD 4.37Å; T63-I138 VanDerWaalsContact O-CD1 3.23Å; T63-I138 WeakPolarHBondContact O-CD1 3.06Å; T63-I138 WeakPolarHBondContact OG1-CG1 3.1Å
64L88.7Confident90.8Very high11 Ų1162.7 Ų62.76%0.05832%0.319CS..  trans-76.6108.2174.3-84.9167000111.4Y60 Y61 S66 G67 F69 L132 I138Y60-L64 HydrophobicContact CD1-CD1 4.03Å; Y60-L64 HydrophobicContact CE1-CD1 3.58Å; Y60-L64 HydrophobicContact CE2-CD1 4.15Å; Y60-L64 VanDerWaalsContact O-CG 3.29Å; Y60-L64 WeakPolarHBondContact O-CG 3.4Å; Y60-L64 PolarHBondContact O-N 2.92Å; Y61-L64 HydrophobicContact CD1-CD1 4.3Å; Y61-L64 PolarHBondContact O-N 2.89Å; L64-S66 VanDerWaalsContact C-N 3.26Å; L64-S66 PolarHBondContact O-N 3.34Å; L64-G67 PolarHBondContact O-N 3.45Å; L64-F69 HydrophobicContact CD1-CD2 4.24Å; L64-F69 HydrophobicContact CD1-CE2 3.98Å; L64-F69 HydrophobicContact CD2-CE2 3.79Å; L64-F69 HydrophobicContact CD2-CZ 4.15Å; L64-L132 HydrophobicContact CD2-CD2 4.42Å; L64-I138 HydrophobicContact CD2-CD1 4.04Å; L64-I138 HydrophobicContact CD2-CG2 4.36Å; L64-I138 HydrophobicContact CG-CD1 4.34Å; L64-I138 HydrophobicContact CG-CG2 4.42Å
65M81.8Confident90.9Very high160 Ų16062.6 Ų62.679%0.78832%0.319SS*.THydrogen-bonded Turntrans-65.6-26.9-179.7-59.3-57.7-63.700113.6T63 G67T63-M65 PolarHBondContact O-N 3.27Å; M65-G67 PolarHBondContact O-N 2.85Å
66S80.6Confident91Very high87 Ų8761.6 Ų61.661%0.60832%0.316SS*.THydrogen-bonded Turntrans-81.1-0.7178.855.10000113.8L64L64-S66 VanDerWaalsContact C-N 3.26Å; L64-S66 PolarHBondContact O-N 3.34Å
67G86.3Confident91Very high37 Ų3764 Ų6438%0.38133%0.328SS..  trans71-174.4-161.900000112.2L64 M65L64-G67 PolarHBondContact O-N 3.45Å; M65-G67 PolarHBondContact O-N 2.85Å
68R92.1Very high90.8Very high98 Ų9864 Ų6437%0.3733%0.328SS..SBendtrans-67.8141.9-178.9-60.3-169.3176.7-153.62.8111.2Y61 D72 L75Y61-R68 HydrophobicContact CD1-CB 4.45Å; Y61-R68 HydrophobicContact CD1-CG 3.68Å; Y61-R68 HydrophobicContact CE1-CG 4.1Å; Y61-R68 VanDerWaalsContact CE2-NH1 3.31Å; Y61-R68 HydrophobicContact CG-CG 4.17Å; R68-D72 HydrophobicContact CB-CB 4.32Å; R68-L75 PolarHBondContact NH1-O 3.29Å
69F93.3Very high90.9Very high56 Ų5659 Ų5925%0.24631%0.306CS..  trans-62.5158.4171.6-66.5-77.3000111Y60 L64 E71 D72 K73 A131Y60-F69 WeakPolarHBondContact OH-CD2 3.25Å; Y60-F69 WeakPolarHBondContact OH-CE2 3.38Å; L64-F69 HydrophobicContact CD1-CD2 4.24Å; L64-F69 HydrophobicContact CD1-CE2 3.98Å; L64-F69 HydrophobicContact CD2-CE2 3.79Å; L64-F69 HydrophobicContact CD2-CZ 4.15Å; F69-E71 WeakPolarHBondContact CB-OE2 3.33Å; F69-E71 PolarHBondContact O-N 3.28Å; F69-D72 CarbonylContact O-C 3.54Å; F69-D72 PolarHBondContact O-N 3.18Å; F69-K73 PolarHBondContact O-N 3.15Å; F69-K73 VanDerWaalsContact O-N 3.08Å; F69-A131 HydrophobicContact CE1-CB 4.37Å; F69-A131 HydrophobicContact CZ-CB 4.08Å
70I91.9Very high91Very high154 Ų15457.9 Ų57.979%0.7930%0.3SS*.G310 helixtrans-57.4-38.2-175.5-65.3170.6000110.9D72 K73I70-D72 PolarHBondContact O-N 2.83Å; I70-K73 PolarHBondContact O-N 2.79Å
71E91.6Very high91.2Very high78 Ų7857.7 Ų57.736%0.36430%0.299SS..G310 helixtrans-70.1-19.5-179.7-53.484.817100113.2F69 N82 K86F69-E71 WeakPolarHBondContact CB-OE2 3.33Å; F69-E71 PolarHBondContact O-N 3.28Å; E71-N82 HydrophobicContact CB-CB 4.17Å; E71-K86 VanDerWaalsContact CD-NZ 3.3Å; E71-K86 HydrophobicContact CG-CD 4.1Å; E71-K86 IonicContact OE1-NZ 3.76Å; E71-K86 PolarHBondContact OE1-NZ 3.18Å
72D95.7Very high91.3Very high0 Ų058 Ų580%030%0.302CS..G310 helixtrans-106.5-5.2-176.4-60.2-24000113Y61 R68 F69 I70 N74 L75 N82 S83Y61-D72 HydrophobicContact CE1-CB 3.72Å; R68-D72 HydrophobicContact CB-CB 4.32Å; F69-D72 CarbonylContact O-C 3.54Å; F69-D72 PolarHBondContact O-N 3.18Å; I70-D72 PolarHBondContact O-N 2.83Å; D72-N74 PolarHBondContact O-N 3.4Å; D72-N74 VanDerWaalsContact O-N 3.12Å; D72-L75 HydrophobicContact CB-CD1 4.27Å; D72-L75 PolarHBondContact O-N 2.76Å; D72-N82 WeakPolarHBondContact OD1-CA 3.31Å; D72-N82 PolarHBondContact OD1-N 3Å; D72-S83 PolarHBondContact OD1-N 2.94Å; D72-S83 WeakPolarHBondContact OD2-CB 3.35Å; D72-S83 PolarHBondContact OD2-OG 3.17Å
73K91.9Very high91.5Very high155 Ų15553.4 Ų53.467%0.67428%0.278SS*.THydrogen-bonded Turntrans-53.6-40.5-167.4-175.2179.7177.5-178.20113.1F69 I70F69-K73 PolarHBondContact O-N 3.15Å; F69-K73 VanDerWaalsContact O-N 3.08Å; I70-K73 PolarHBondContact O-N 2.79Å
74N91.7Very high91.9Very high106 Ų10652.2 Ų52.257%0.56727%0.271SS*.THydrogen-bonded Turntrans-1030.9-176.6-60.6-18000113.1D72 E222D72-N74 PolarHBondContact O-N 3.4Å; D72-N74 VanDerWaalsContact O-N 3.12Å; N74-E222 WeakPolarHBondContact O-CA 3.22Å; N74-E222 WeakPolarHBondContact O-CB 3.28Å
75L94.4Very high92.3Very high10 Ų1052 Ų525%0.05227%0.27CS..  trans-74.4136.9-173.6-67179000112R68 D72 I79 N82 E222R68-L75 PolarHBondContact NH1-O 3.29Å; D72-L75 HydrophobicContact CB-CD1 4.27Å; D72-L75 PolarHBondContact O-N 2.76Å; L75-I79 HydrophobicContact CD2-CG2 4.38Å; L75-N82 HydrophobicContact CD1-CB 3.77Å; L75-N82 VanDerWaalsContact CD1-CG 3.42Å; L75-E222 WeakPolarHBondContact CA-O 3.49Å
76D91.6Very high93Very high52 Ų5248.4 Ų48.428%0.27825%0.25SC..  trans-64.5152.2168-160.8-51.8000110.3V78 I79 E222D76-V78 PolarHBondContact O-N 3.05Å; D76-V78 PolarHBondContact OD1-N 2.97Å; D76-V78 VanDerWaalsContact OD1-N 3.13Å; D76-I79 HydrophobicContact CB-CG1 4.18Å; D76-I79 PolarHBondContact O-N 2.96Å; D76-I79 VanDerWaalsContact O-N 3.1Å; D76-E222 PolarHBondContact N-O 3.32Å
77I90.7Very high93.8Very high51 Ų5145.4 Ų45.426%0.26223%0.229SC..THydrogen-bonded Turntrans-64.5-22.2177.3-153.6163.6000112.8T57 K58 I79T57-I77 WeakPolarHBondContact CB-O 3.4Å; T57-I77 HydrophobicContact CG2-CG1 4.19Å; T57-I77 VanDerWaalsContact CG2-O 3.24Å; T57-I77 WeakPolarHBondContact CG2-O 3.29Å; K58-I77 HydrophobicContact CB-CD1 3.38Å; K58-I77 HydrophobicContact CB-CG1 3.96Å; K58-I77 HydrophobicContact CD-CD1 3.92Å; K58-I77 HydrophobicContact CG-CD1 3.61Å; I77-I79 PolarHBondContact O-N 2.94Å
78V90.9Very high94.3Very high1 Ų150.9 Ų50.91%0.00624%0.242CC..THydrogen-bonded Turntrans-67-26.3174.9179.70000111.7E54 D76 P163 I165E54-V78 HydrophobicContact CG-CB 4.27Å; E54-V78 HydrophobicContact CG-CG1 4.3Å; E54-V78 HydrophobicContact CG-CG2 4.25Å; D76-V78 PolarHBondContact O-N 3.05Å; D76-V78 PolarHBondContact OD1-N 2.97Å; D76-V78 VanDerWaalsContact OD1-N 3.13Å; V78-P163 HydrophobicContact CG1-CB 4.13Å; V78-I165 HydrophobicContact CB-CD1 4.37Å; V78-I165 HydrophobicContact CG1-CD1 4.34Å; V78-I165 HydrophobicContact CG2-CD1 4.15Å
79I93.7Very high94.6Very high1 Ų148.8 Ų48.81%0.00524%0.238CC..SBendtrans-89.2126.8-176-47.7-63.3000109.7L75 D76 I77 R223 L225L75-I79 HydrophobicContact CD2-CG2 4.38Å; D76-I79 HydrophobicContact CB-CG1 4.18Å; D76-I79 PolarHBondContact O-N 2.96Å; D76-I79 VanDerWaalsContact O-N 3.1Å; I77-I79 PolarHBondContact O-N 2.94Å; I79-R223 HydrophobicContact CD1-CB 4.06Å; I79-R223 HydrophobicContact CD1-CG 4.14Å; I79-R223 HydrophobicContact CG1-CG 4.46Å; I79-L225 HydrophobicContact CG2-CD2 3.66Å
80P95.3Very high94.8Very high1 Ų146.7 Ų46.71%0.00623%0.229CC..PPolyproline II helixtrans-57.3135.5171-22.132.6000110.6I53 N82 L85 I145 P163I53-P80 HydrophobicContact CD1-CG 3.89Å; P80-N82 PolarHBondContact O-N 3.19Å; P80-L85 HydrophobicContact CB-CD1 3.92Å; P80-L85 HydrophobicContact CB-CD2 4.5Å; P80-L85 HydrophobicContact CB-CG 4.28Å; P80-I145 HydrophobicContact CB-CG2 3.97Å; P80-P163 HydrophobicContact CG-CG 4.27Å
81P97.2Very high95.1Very high0 Ų039.7 Ų39.70%019%0.193CC..PPolyproline II helixtrans-54.5132-172.7-25.631.7000113.8T57 Y60 Y61 S83 I84 L85 I145T57-P81 HydrophobicContact CG2-CG 4.09Å; Y60-P81 HydrophobicContact CD1-CB 4.1Å; Y60-P81 HydrophobicContact CD1-CG 3.46Å; Y60-P81 VanDerWaalsContact CD1-CG 3.46Å; Y60-P81 HydrophobicContact CE1-CB 3.73Å; Y60-P81 HydrophobicContact CE1-CG 3.65Å; Y60-P81 HydrophobicContact CG-CG 4.27Å; Y61-P81 HydrophobicContact CE1-CB 4.23Å; Y61-P81 HydrophobicContact CE1-CG 4.13Å; Y61-P81 HydrophobicContact CE2-CG 4.39Å; Y61-P81 WeakPolarHBondContact OH-CA 3.32Å; Y61-P81 WeakPolarHBondContact OH-CB 3.08Å; P81-S83 VanDerWaalsContact C-N 3.27Å; P81-S83 PolarHBondContact O-N 3.44Å; P81-I84 HydrophobicContact CB-CB 4.46Å; P81-I84 HydrophobicContact CB-CD1 4.05Å; P81-I84 HydrophobicContact CB-CG1 4.1Å; P81-I84 HydrophobicContact CG-CD1 3.89Å; P81-I84 HydrophobicContact CG-CG1 4.49Å; P81-I84 WeakPolarHBondContact O-CB 3.47Å; P81-I84 PolarHBondContact O-N 3.43Å; P81-L85 PolarHBondContact O-N 2.96Å; P81-I145 HydrophobicContact CG-CD1 4.2Å
82N97.3Very high95.4Very high20 Ų2039 Ų3911%0.10719%0.192CC..Hα-helixtrans-65.7-31.8177.1-76.2-7.9000111.7E71 D72 L75 P80 I84 L85 K86 R224 P226E71-N82 HydrophobicContact CB-CB 4.17Å; D72-N82 WeakPolarHBondContact OD1-CA 3.31Å; D72-N82 PolarHBondContact OD1-N 3Å; L75-N82 HydrophobicContact CD1-CB 3.77Å; L75-N82 VanDerWaalsContact CD1-CG 3.42Å; P80-N82 PolarHBondContact O-N 3.19Å; N82-I84 PolarHBondContact O-N 3.2Å; N82-L85 PolarHBondContact O-N 3.01Å; N82-K86 VanDerWaalsContact O-CB 3.3Å; N82-K86 WeakPolarHBondContact O-CB 3.48Å; N82-K86 WeakPolarHBondContact O-CG 3.32Å; N82-K86 PolarHBondContact O-N 3.24Å; N82-R224 PolarHBondContact ND2-O 3.29Å; N82-R224 PolarHBondContact OD1-O 3.04Å; N82-P226 HydrophobicContact CB-CB 4.43Å; N82-P226 HydrophobicContact CB-CG 4.28Å; N82-P226 WeakPolarHBondContact OD1-CD 3.41Å
83S95.6Very high95.5Very high17 Ų1740.1 Ų40.112%0.11920%0.197CC..Hα-helixtrans-57.4-29171.661.90000113Y60 D72 P81Y60-S83 PolarHBondContact OH-OG 3.46Å; D72-S83 PolarHBondContact OD1-N 2.94Å; D72-S83 WeakPolarHBondContact OD2-CB 3.35Å; D72-S83 PolarHBondContact OD2-OG 3.17Å; P81-S83 VanDerWaalsContact C-N 3.27Å; P81-S83 PolarHBondContact O-N 3.44Å
84I97.6Very high95.8Very high1 Ų132.9 Ų32.91%0.00517%0.166CC..Hα-helixtrans-83.1-52.5172.5-61173.1000109.8Y60 P81 N82 K86 S87 Y90 I142 I145 I146Y60-I84 HydrophobicContact CD2-CD1 4.23Å; Y60-I84 HydrophobicContact CE2-CD1 4.1Å; Y60-I84 HydrophobicContact CE2-CG1 4.41Å; P81-I84 HydrophobicContact CB-CB 4.46Å; P81-I84 HydrophobicContact CB-CD1 4.05Å; P81-I84 HydrophobicContact CB-CG1 4.1Å; P81-I84 HydrophobicContact CG-CD1 3.89Å; P81-I84 HydrophobicContact CG-CG1 4.49Å; P81-I84 WeakPolarHBondContact O-CB 3.47Å; P81-I84 PolarHBondContact O-N 3.43Å; N82-I84 PolarHBondContact O-N 3.2Å; I84-K86 VanDerWaalsContact C-N 3.26Å; I84-K86 PolarHBondContact O-N 2.82Å; I84-S87 WeakPolarHBondContact O-CB 3.01Å; I84-S87 PolarHBondContact O-N 2.78Å; I84-Y90 HydrophobicContact CB-CD2 4.09Å; I84-Y90 HydrophobicContact CB-CE2 4.5Å; I84-Y90 HydrophobicContact CG1-CD2 4.45Å; I84-Y90 HydrophobicContact CG1-CE2 4.38Å; I84-Y90 HydrophobicContact CG2-CD2 3.67Å; I84-Y90 HydrophobicContact CG2-CE2 4.37Å; I84-Y90 HydrophobicContact CG2-CG 3.96Å; I84-Y90 WeakPolarHBondContact O-CD2 3.47Å; I84-I142 HydrophobicContact CD1-CB 4.36Å; I84-I142 HydrophobicContact CD1-CG1 3.87Å; I84-I142 HydrophobicContact CD1-CG2 4.3Å; I84-I142 HydrophobicContact CG1-CG1 4.4Å; I84-I145 HydrophobicContact CD1-CD1 3.69Å; I84-I145 HydrophobicContact CD1-CG2 4.44Å; I84-I146 HydrophobicContact CG2-CD1 4.48Å; I84-I146 HydrophobicContact CG2-CG1 4.19Å
85L97.9Very high96Very high6 Ų629.8 Ų29.83%0.03115%0.149CC..Hα-helixtrans-71.2-15.3-171.6-63.2-171.4000115.1P80 P81 N82 L91 L149 L225 P226 F229P80-L85 HydrophobicContact CB-CD1 3.92Å; P80-L85 HydrophobicContact CB-CD2 4.5Å; P80-L85 HydrophobicContact CB-CG 4.28Å; P81-L85 PolarHBondContact O-N 2.96Å; N82-L85 PolarHBondContact O-N 3.01Å; L85-L91 WeakPolarHBondContact O-CD1 3.49Å; L85-L91 WeakPolarHBondContact O-CD2 3.49Å; L85-L149 HydrophobicContact CD2-CD2 3.48Å; L85-L149 VanDerWaalsContact CD2-CD2 3.48Å; L85-L225 HydrophobicContact CD1-CD2 3.6Å; L85-P226 HydrophobicContact CB-CG 3.64Å; L85-F229 HydrophobicContact CB-CB 4.3Å; L85-F229 HydrophobicContact CB-CD2 4.22Å; L85-F229 HydrophobicContact CD1-CD2 4.17Å; L85-F229 HydrophobicContact CD1-CE2 4.38Å; L85-F229 HydrophobicContact CD1-CG 4.4Å; L85-F229 HydrophobicContact CD2-CD2 4.09Å; L85-F229 HydrophobicContact CD2-CE2 4.17Å; L85-F229 HydrophobicContact CG-CD2 4.4Å
86K96.3Very high96.1Very high85 Ų8531.4 Ų31.437%0.3716%0.158SC..THydrogen-bonded Turntrans-84.3-15.3171.878.8-178.1-158.7159.30113.6E71 N82 I84 P226 E228E71-K86 VanDerWaalsContact CD-NZ 3.3Å; E71-K86 HydrophobicContact CG-CD 4.1Å; E71-K86 IonicContact OE1-NZ 3.76Å; E71-K86 PolarHBondContact OE1-NZ 3.18Å; N82-K86 VanDerWaalsContact O-CB 3.3Å; N82-K86 WeakPolarHBondContact O-CB 3.48Å; N82-K86 WeakPolarHBondContact O-CG 3.32Å; N82-K86 PolarHBondContact O-N 3.24Å; I84-K86 VanDerWaalsContact C-N 3.26Å; I84-K86 PolarHBondContact O-N 2.82Å; K86-P226 HydrophobicContact CB-CB 4.38Å; K86-P226 HydrophobicContact CB-CG 4.39Å; K86-E228 HydrophobicContact CB-CB 4.35Å; K86-E228 HydrophobicContact CB-CG 4.41Å
87S97.2Very high96.3Very high24 Ų2429 Ų2917%0.16815%0.145CC..  trans-80.6122.9-174.1177.80000111.2I84 D89 Y90 L91I84-S87 WeakPolarHBondContact O-CB 3.01Å; I84-S87 PolarHBondContact O-N 2.78Å; S87-D89 PolarHBondContact O-N 2.78Å; S87-D89 PolarHBondContact OG-N 2.95Å; S87-Y90 PolarHBondContact O-N 2.83Å; S87-L91 VanDerWaalsContact O-CG 3.28Å; S87-L91 WeakPolarHBondContact O-CG 2.97Å; S87-L91 PolarHBondContact O-N 3.1Å
88K96.6Very high96.6Very high152 Ų15227.5 Ų27.566%0.66114%0.137SC*.Hα-helixtrans-58.4-36.5174.5-172.3173.5-177.9177.90112.2L91 N92K88-L91 PolarHBondContact O-N 2.83Å; K88-N92 WeakPolarHBondContact O-CB 3.36Å; K88-N92 PolarHBondContact O-N 2.85Å; K88-N92 PolarHBondContact O-ND2 3.01Å
89D97.3Very high96.7Very high54 Ų5433.5 Ų33.529%0.28917%0.165SC..Hα-helixtrans-62.6-46.5179-65.3-44.8000110.8S87 N92 M93 L117 N120S87-D89 PolarHBondContact O-N 2.78Å; S87-D89 PolarHBondContact OG-N 2.95Å; D89-N92 PolarHBondContact O-N 3.23Å; D89-M93 WeakPolarHBondContact O-CG 3.37Å; D89-M93 PolarHBondContact O-N 3.42Å; D89-L117 HydrophobicContact CB-CD2 4.21Å; D89-N120 PolarHBondContact OD1-ND2 3.47Å
90Y98.4Very high96.6Very high12 Ų1234.8 Ų34.85%0.04717%0.173CC..Hα-helixtrans-72.4-35.4179.3-59.3-41.4000113I84 S87 N92 M93 L94 L117 W123 V127 I142 I146I84-Y90 HydrophobicContact CB-CD2 4.09Å; I84-Y90 HydrophobicContact CB-CE2 4.5Å; I84-Y90 HydrophobicContact CG1-CD2 4.45Å; I84-Y90 HydrophobicContact CG1-CE2 4.38Å; I84-Y90 HydrophobicContact CG2-CD2 3.67Å; I84-Y90 HydrophobicContact CG2-CE2 4.37Å; I84-Y90 HydrophobicContact CG2-CG 3.96Å; I84-Y90 WeakPolarHBondContact O-CD2 3.47Å; S87-Y90 PolarHBondContact O-N 2.83Å; Y90-N92 VanDerWaalsContact C-N 3.31Å; Y90-N92 PolarHBondContact O-N 3.24Å; Y90-M93 CarbonylContact O-C 3.31Å; Y90-M93 WeakPolarHBondContact O-CB 3.46Å; Y90-M93 PolarHBondContact O-N 3.31Å; Y90-M93 VanDerWaalsContact O-N 3.12Å; Y90-L94 PolarHBondContact O-N 3.48Å; Y90-L117 HydrophobicContact CD1-CD1 4.16Å; Y90-L117 HydrophobicContact CD1-CD2 4.1Å; Y90-L117 HydrophobicContact CE1-CD1 4.02Å; Y90-L117 HydrophobicContact CE1-CD2 4.11Å; Y90-W123 AromaticContact CE1-CE2 3.76Å; Y90-W123 AromaticContact CE1-CZ2 3.76Å; Y90-W123 HydrophobicContact CE1-CZ2 3.76Å; Y90-W123 AromaticContact CE1-NE1 3.35Å; Y90-W123 AromaticContact CZ-CE2 3.9Å; Y90-W123 AromaticContact CZ-CZ2 3.93Å; Y90-W123 AromaticContact CZ-NE1 3.29Å; Y90-W123 VanDerWaalsContact CZ-NE1 3.29Å; Y90-W123 VanDerWaalsContact OH-CZ2 3.24Å; Y90-W123 WeakPolarHBondContact OH-CZ2 3.14Å; Y90-W123 PolarHBondContact OH-NE1 2.91Å; Y90-V127 WeakPolarHBondContact OH-CG1 3.03Å; Y90-I142 HydrophobicContact CD1-CG2 4.05Å; Y90-I142 HydrophobicContact CE1-CG2 3.71Å; Y90-I142 HydrophobicContact CE2-CG2 4.48Å; Y90-I146 HydrophobicContact CD1-CD1 3.64Å; Y90-I146 HydrophobicContact CG-CD1 3.91Å
91L98.3Very high96.3Very high7 Ų737.5 Ų37.54%0.03719%0.192CC..Hα-helixtrans-66-32.9174.6-68174.1000112.6L85 S87 K88 M93 L94 N95 F229 H232L85-L91 WeakPolarHBondContact O-CD1 3.49Å; L85-L91 WeakPolarHBondContact O-CD2 3.49Å; S87-L91 VanDerWaalsContact O-CG 3.28Å; S87-L91 WeakPolarHBondContact O-CG 2.97Å; S87-L91 PolarHBondContact O-N 3.1Å; K88-L91 PolarHBondContact O-N 2.83Å; L91-M93 VanDerWaalsContact C-N 3.35Å; L91-L94 HydrophobicContact CD2-CD2 4.28Å; L91-L94 WeakPolarHBondContact O-CB 3.38Å; L91-L94 PolarHBondContact O-N 3.18Å; L91-N95 PolarHBondContact O-N 2.03Å; L91-F229 HydrophobicContact CD2-CD2 3.81Å; L91-H232 HydrophobicContact CD1-CB 3.93Å; L91-H232 PolarHBondContact O-NE2 2.92Å
92N97.7Very high95.6Very high65 Ų6542.3 Ų42.335%0.34822%0.222SC..Hα-helixtrans-65.8-39.1170.2-70-22.7000111.5K88 D89 Y90 N95 L96K88-N92 WeakPolarHBondContact O-CB 3.36Å; K88-N92 PolarHBondContact O-N 2.85Å; K88-N92 PolarHBondContact O-ND2 3.01Å; D89-N92 PolarHBondContact O-N 3.23Å; Y90-N92 VanDerWaalsContact C-N 3.31Å; Y90-N92 PolarHBondContact O-N 3.24Å; N92-N95 WeakPolarHBondContact O-CB 3.33Å; N92-N95 PolarHBondContact O-N 3.46Å; N92-L96 PolarHBondContact O-N 3.45Å
93M97.3Very high94.8Very high22 Ų2250.3 Ų50.311%0.10826%0.255CS..Hα-helixtrans-66.8-38.2175-62.3-55.3102.400111.9D89 Y90 L91 L96 V97 I113 E116 L117 I146D89-M93 WeakPolarHBondContact O-CG 3.37Å; D89-M93 PolarHBondContact O-N 3.42Å; Y90-M93 CarbonylContact O-C 3.31Å; Y90-M93 WeakPolarHBondContact O-CB 3.46Å; Y90-M93 PolarHBondContact O-N 3.31Å; Y90-M93 VanDerWaalsContact O-N 3.12Å; L91-M93 VanDerWaalsContact C-N 3.35Å; M93-L96 VanDerWaalsContact O-CB 3.31Å; M93-L96 WeakPolarHBondContact O-CB 3.38Å; M93-L96 PolarHBondContact O-N 3.06Å; M93-L96 VanDerWaalsContact O-N 3.14Å; M93-V97 PolarHBondContact O-N 3.44Å; M93-I113 HydrophobicContact CB-CG1 4.21Å; M93-I113 HydrophobicContact CB-CG2 3.74Å; M93-I113 HydrophobicContact CG-CG2 3.67Å; M93-I113 HydrophobicContact SD-CB 4.19Å; M93-I113 HydrophobicContact SD-CG1 4.17Å; M93-I113 HydrophobicContact SD-CG2 3.8Å; M93-E116 HydrophobicContact CE-CB 3.92Å; M93-E116 HydrophobicContact SD-CB 3.75Å; M93-E116 HydrophobicContact SD-CG 4.47Å; M93-L117 HydrophobicContact CG-CD1 4.22Å; M93-L117 HydrophobicContact CG-CD2 4.02Å; M93-L117 HydrophobicContact CG-CG 3.98Å; M93-L117 HydrophobicContact SD-CG 4.27Å; M93-I146 HydrophobicContact CB-CD1 4.34Å; M93-I146 HydrophobicContact CB-CG2 3.97Å
94L97.9Very high94.2Very high3 Ų353.7 Ų53.72%0.01627%0.272CS..Hα-helixtrans-59.5-46.3172.5176.759.7000111.3Y90 L91 L96 V97 I98 I146 L149 G150 F153 F229 F233Y90-L94 PolarHBondContact O-N 3.48Å; L91-L94 HydrophobicContact CD2-CD2 4.28Å; L91-L94 WeakPolarHBondContact O-CB 3.38Å; L91-L94 PolarHBondContact O-N 3.18Å; L94-L96 PolarHBondContact O-N 3.26Å; L94-V97 PolarHBondContact O-N 2.9Å; L94-V97 VanDerWaalsContact O-N 3.12Å; L94-I98 HydrophobicContact CD1-CD1 4.18Å; L94-I98 HydrophobicContact CD1-CG1 4.44Å; L94-I98 HydrophobicContact CG-CD1 3.95Å; L94-I98 WeakPolarHBondContact O-CG1 3.45Å; L94-I98 PolarHBondContact O-N 3.36Å; L94-I146 HydrophobicContact CB-CG2 4.2Å; L94-L149 HydrophobicContact CD1-CB 4.15Å; L94-L149 HydrophobicContact CD1-CD2 4.48Å; L94-L149 HydrophobicContact CD1-CG 4.14Å; L94-L149 HydrophobicContact CD2-CD2 4.03Å; L94-L149 HydrophobicContact CD2-CG 4.39Å; L94-G150 VanDerWaalsContact CD1-CA 3.42Å; L94-G150 VanDerWaalsContact CD1-N 3.29Å; L94-F153 HydrophobicContact CD1-CD2 4.27Å; L94-F153 HydrophobicContact CD2-CD2 4.43Å; L94-F153 HydrophobicContact CD2-CE2 4Å; L94-F229 HydrophobicContact CD2-CE2 3.99Å; L94-F233 HydrophobicContact CD2-CE2 4.34Å; L94-F233 HydrophobicContact CD2-CZ 3.78Å; L94-F233 HydrophobicContact CG-CZ 4.38Å
95N97.4Very high93.7Very high42 Ų4255.4 Ų55.423%0.22528%0.281CS..Hα-helixtrans-57.6-39173.6-86.3-12000112.3L91 N92 V97 I98 H99 H232 F233L91-N95 PolarHBondContact O-N 2.03Å; N92-N95 WeakPolarHBondContact O-CB 3.33Å; N92-N95 PolarHBondContact O-N 3.46Å; N95-V97 VanDerWaalsContact C-N 3.32Å; N95-V97 PolarHBondContact O-N 2.89Å; N95-I98 PolarHBondContact O-N 3.41Å; N95-H99 PolarHBondContact O-N 3.28Å; N95-H99 PolarHBondContact O-ND1 3Å; N95-H232 PolarHBondContact ND2-NE2 3.06Å; N95-F233 WeakPolarHBondContact OD1-CE1 3.11Å
96L95.8Very high93Very high44 Ų4455.7 Ų55.723%0.2329%0.286CS..Hα-helixtrans-59.5-44.4176.9-167.5154.1000110.7N92 M93 L94 H99 T100 V109 R112 I113N92-L96 PolarHBondContact O-N 3.45Å; M93-L96 VanDerWaalsContact O-CB 3.31Å; M93-L96 WeakPolarHBondContact O-CB 3.38Å; M93-L96 PolarHBondContact O-N 3.06Å; M93-L96 VanDerWaalsContact O-N 3.14Å; L94-L96 PolarHBondContact O-N 3.26Å; L96-H99 PolarHBondContact O-N 3.44Å; L96-T100 VanDerWaalsContact O-CB 3.32Å; L96-T100 WeakPolarHBondContact O-CB 3.44Å; L96-T100 PolarHBondContact O-N 2.99Å; L96-T100 PolarHBondContact O-OG1 3.35Å; L96-V109 HydrophobicContact CD2-CG2 3.33Å; L96-R112 HydrophobicContact CD1-CG 4.02Å; L96-R112 HydrophobicContact CD2-CG 4.23Å; L96-I113 HydrophobicContact CD2-CG1 4.12Å
97V95.9Very high92.3Very high0 Ų052.6 Ų52.60%027%0.273CS..Hα-helixtrans-62.7-44.6175.8-175.20000112M93 L94 N95 H99 T100 L105 V109 I113 I146 Y147 R154M93-V97 PolarHBondContact O-N 3.44Å; L94-V97 PolarHBondContact O-N 2.9Å; L94-V97 VanDerWaalsContact O-N 3.12Å; N95-V97 VanDerWaalsContact C-N 3.32Å; N95-V97 PolarHBondContact O-N 2.89Å; V97-H99 VanDerWaalsContact C-N 3.31Å; V97-H99 PolarHBondContact O-N 3.38Å; V97-T100 PolarHBondContact O-N 2.84Å; V97-L105 HydrophobicContact CG1-CD2 4.41Å; V97-V109 HydrophobicContact CG2-CG2 4.4Å; V97-I113 HydrophobicContact CG2-CD1 3.42Å; V97-I113 VanDerWaalsContact CG2-CD1 3.42Å; V97-I146 HydrophobicContact CG2-CG2 4.46Å; V97-Y147 HydrophobicContact CG1-CD2 3.87Å; V97-Y147 HydrophobicContact CG1-CE2 4.13Å; V97-Y147 HydrophobicContact CG2-CD2 4.21Å; V97-R154 PolarHBondContact O-NH1 3.2Å
98I96.5Very high91.6Very high21 Ų2154.1 Ų54.111%0.10828%0.283CS..Hα-helixtrans-60.1-41.6-178.2-68.7168.9000111.1L94 N95 F153 F233 L239L94-I98 HydrophobicContact CD1-CD1 4.18Å; L94-I98 HydrophobicContact CD1-CG1 4.44Å; L94-I98 HydrophobicContact CG-CD1 3.95Å; L94-I98 WeakPolarHBondContact O-CG1 3.45Å; L94-I98 PolarHBondContact O-N 3.36Å; N95-I98 PolarHBondContact O-N 3.41Å; I98-F153 HydrophobicContact CD1-CB 3.82Å; I98-F153 HydrophobicContact CD1-CD1 4.1Å; I98-F153 HydrophobicContact CD1-CD2 4.12Å; I98-F153 HydrophobicContact CD1-CG 3.76Å; I98-F153 HydrophobicContact CG1-CB 3.83Å; I98-F153 HydrophobicContact CG1-CG 4.32Å; I98-F233 HydrophobicContact CD1-CE1 4.01Å; I98-F233 HydrophobicContact CD1-CZ 4.23Å; I98-L239 HydrophobicContact CG2-CD1 4.28Å; I98-L239 HydrophobicContact CG2-CD2 3.92Å
99H94.1Very high91.2Very high127 Ų12747 Ų4759%0.58825%0.252SS*.Hα-helixtrans-95.2-8.4-174.8-60.586.7000114.1N95 L96 V97N95-H99 PolarHBondContact O-N 3.28Å; N95-H99 PolarHBondContact O-ND1 3Å; L96-H99 PolarHBondContact O-N 3.44Å; V97-H99 VanDerWaalsContact C-N 3.31Å; V97-H99 PolarHBondContact O-N 3.38Å
100T91.9Very high90.7Very high27 Ų2744.8 Ų44.817%0.16624%0.24CC..SBendtrans-65.4139.5177.5-69.70000110.6L96 V97 N104 V109 R154L96-T100 VanDerWaalsContact O-CB 3.32Å; L96-T100 WeakPolarHBondContact O-CB 3.44Å; L96-T100 PolarHBondContact O-N 2.99Å; L96-T100 PolarHBondContact O-OG1 3.35Å; V97-T100 PolarHBondContact O-N 2.84Å; T100-N104 HydrophobicContact CG2-CB 4.41Å; T100-V109 HydrophobicContact CG2-CB 4.14Å; T100-V109 HydrophobicContact CG2-CG2 4Å; T100-V109 WeakPolarHBondContact OG1-CG2 3.46Å; T100-R154 PolarHBondContact O-NH1 3.25Å
101S88.7Confident90Very high59 Ų5945 Ų4541%0.41324%0.242SC..  trans-58.9153.8177.169.30000111.7K103 N104 L105S101-K103 VanDerWaalsContact C-N 3.28Å; S101-K103 PolarHBondContact O-N 2.97Å; S101-N104 VanDerWaalsContact O-CA 3.25Å; S101-N104 WeakPolarHBondContact O-CA 3.42Å; S101-N104 PolarHBondContact O-N 3.46Å; S101-N104 PolarHBondContact OG-N 3.38Å; S101-N104 PolarHBondContact OG-ND2 3.38Å; S101-L105 PolarHBondContact O-N 2.9Å
102T82.5Confident89.5Confident101 Ų10148 Ų4862%0.6225%0.253SS*.G310 helixtrans-58.1-38.617946.90000112.8N104 L105 R154T102-N104 PolarHBondContact O-N 2.92Å; T102-L105 WeakPolarHBondContact O-CB 3.36Å; T102-L105 PolarHBondContact O-N 3.01Å; T102-R154 VanDerWaalsContact CG2-NH2 3.33Å
103K79.2Confident89.2Confident188 Ų18845 Ų4582%0.81724%0.237SC*.G310 helixtrans-62.3-31.2174-58.4-177.8-178.3-178.50112.7S101S101-K103 VanDerWaalsContact C-N 3.28Å; S101-K103 PolarHBondContact O-N 2.97Å
104N84.6Confident88.8Confident87 Ų8744.3 Ų44.347%0.46523%0.233SC..G310 helixtrans-67.9-25.217449-104.6000116.7T100 S101 T102 P108 V109T100-N104 HydrophobicContact CG2-CB 4.41Å; S101-N104 VanDerWaalsContact O-CA 3.25Å; S101-N104 WeakPolarHBondContact O-CA 3.42Å; S101-N104 PolarHBondContact O-N 3.46Å; S101-N104 PolarHBondContact OG-N 3.38Å; S101-N104 PolarHBondContact OG-ND2 3.38Å; T102-N104 PolarHBondContact O-N 2.92Å; N104-P108 HydrophobicContact CB-CB 4.01Å; N104-P108 HydrophobicContact CB-CG 4.44Å; N104-V109 PolarHBondContact O-N 3.49Å
105L86.3Confident88.4Confident37 Ų3744.1 Ų44.119%0.19423%0.232CC..THydrogen-bonded Turntrans-68.5143.4-178.7-69.7178.4000109.2V97 S101 T102 V109 Y147 L151 R154 I156V97-L105 HydrophobicContact CG1-CD2 4.41Å; S101-L105 PolarHBondContact O-N 2.9Å; T102-L105 WeakPolarHBondContact O-CB 3.36Å; T102-L105 PolarHBondContact O-N 3.01Å; L105-V109 HydrophobicContact CD2-CG1 4.42Å; L105-Y147 HydrophobicContact CD2-CE2 4.16Å; L105-L151 HydrophobicContact CD1-CD2 3.97Å; L105-L151 HydrophobicContact CD2-CD2 3.94Å; L105-R154 VanDerWaalsContact CD2-NH1 3.28Å; L105-I156 HydrophobicContact CD1-CD1 3.53Å
106G83.6Confident88.2Confident13 Ų1344.2 Ų44.213%0.13423%0.232CC..THydrogen-bonded Turntrans121-179.9-161.100000113.3Y24 P108 V109 V110 Y147Y24-G106 VanDerWaalsContact CZ-CA 3.47Å; Y24-G106 WeakPolarHBondContact OH-CA 3.42Å; Y24-G106 PolarHBondContact OH-N 3.06Å; Y24-G106 PolarHBondContact OH-O 3.09Å; G106-P108 WeakPolarHBondContact O-CD 3.48Å; G106-V109 WeakPolarHBondContact O-CG1 3.31Å; G106-V109 PolarHBondContact O-N 3.01Å; G106-V110 PolarHBondContact O-N 3.33Å; G106-Y147 PolarHBondContact N-OH 3.23Å
107N80.8Confident88.1Confident19 Ų1942.3 Ų42.310%0.10222%0.221CC..Hα-helixtrans-38.6-41.5171.5-56.3-14.1000112.7Y24 F25 T26 Y27 E29 V109 V110 M111Y24-N107 PolarHBondContact OH-N 3.41Å; F25-N107 PolarHBondContact O-ND2 2.85Å; F25-N107 PolarHBondContact O-OD1 3.33Å; T26-N107 WeakPolarHBondContact CA-OD1 3.43Å; Y27-N107 PolarHBondContact N-ND2 3.29Å; E29-N107 WeakPolarHBondContact OE1-CB 3.5Å; E29-N107 PolarHBondContact OE1-ND2 3.49Å; N107-V109 PolarHBondContact O-N 3.42Å; N107-V110 PolarHBondContact O-N 2.92Å; N107-M111 WeakPolarHBondContact O-CB 3.26Å; N107-M111 WeakPolarHBondContact O-CG 3.37Å; N107-M111 PolarHBondContact O-N 3.27Å
108P82.8Confident87.9Confident57 Ų5743.8 Ų43.837%0.3723%0.229SC..Hα-helixtrans-54.2-47178.6-28.137000114.2N104 G106 R112N104-P108 HydrophobicContact CB-CB 4.01Å; N104-P108 HydrophobicContact CB-CG 4.44Å; G106-P108 WeakPolarHBondContact O-CD 3.48Å; P108-R112 VanDerWaalsContact O-CB 3.3Å; P108-R112 WeakPolarHBondContact O-CB 3.22Å; P108-R112 PolarHBondContact O-N 2.69Å
109V87.9Confident87.7Confident3 Ų346.2 Ų46.22%0.01824%0.242CC..Hα-helixtrans-73.3-38.1-177.974.80000112.2L96 V97 T100 N104 L105 G106 N107 R112 I113 Y147L96-V109 HydrophobicContact CD2-CG2 3.33Å; V97-V109 HydrophobicContact CG2-CG2 4.4Å; T100-V109 HydrophobicContact CG2-CB 4.14Å; T100-V109 HydrophobicContact CG2-CG2 4Å; T100-V109 WeakPolarHBondContact OG1-CG2 3.46Å; N104-V109 PolarHBondContact O-N 3.49Å; L105-V109 HydrophobicContact CD2-CG1 4.42Å; G106-V109 WeakPolarHBondContact O-CG1 3.31Å; G106-V109 PolarHBondContact O-N 3.01Å; N107-V109 PolarHBondContact O-N 3.42Å; V109-R112 WeakPolarHBondContact O-CB 3.36Å; V109-R112 PolarHBondContact O-N 2.93Å; V109-I113 HydrophobicContact CG2-CD1 4.39Å; V109-I113 VanDerWaalsContact O-CG1 3.27Å; V109-I113 WeakPolarHBondContact O-CG1 3.3Å; V109-I113 PolarHBondContact O-N 3.44Å; V109-Y147 HydrophobicContact CG1-CD2 3.79Å; V109-Y147 HydrophobicContact CG1-CE2 3.45Å; V109-Y147 VanDerWaalsContact CG1-CE2 3.45Å
110V87.5Confident87.8Confident7 Ų742.3 Ų42.34%0.04223%0.226CC..Hα-helixtrans-69.9-40178.2172.60000111.4Y24 T26 G106 N107 R112 I113 N114 L143 Y147Y24-V110 HydrophobicContact CE1-CG2 3.89Å; Y24-V110 WeakPolarHBondContact OH-CG2 3.3Å; T26-V110 HydrophobicContact CG2-CB 4.05Å; T26-V110 HydrophobicContact CG2-CG1 3.73Å; T26-V110 HydrophobicContact CG2-CG2 4.28Å; G106-V110 PolarHBondContact O-N 3.33Å; N107-V110 PolarHBondContact O-N 2.92Å; V110-R112 VanDerWaalsContact C-N 3.33Å; V110-I113 PolarHBondContact O-N 3.14Å; V110-N114 WeakPolarHBondContact O-CB 3.33Å; V110-N114 PolarHBondContact O-N 2.94Å; V110-L143 HydrophobicContact CG1-CB 4.27Å; V110-L143 HydrophobicContact CG1-CD1 4.12Å; V110-Y147 HydrophobicContact CG2-CD1 4.27Å; V110-Y147 HydrophobicContact CG2-CD2 3.67Å; V110-Y147 HydrophobicContact CG2-CE2 4.29Å; V110-Y147 HydrophobicContact CG2-CG 3.66Å
111M83.5Confident87.8Confident17 Ų1747.6 Ų47.68%0.08425%0.252CS..Hα-helixtrans-61.3-43.8171.6-73.6-175.169.100110.7E29 W31 N107 I113 N114 C115E29-M111 HydrophobicContact CB-SD 4.05Å; E29-M111 PolarHBondContact N-SD 3.44Å; E29-M111 VanDerWaalsContact N-SD 3.35Å; E29-M111 WeakPolarHBondContact O-CE 3.5Å; W31-M111 HydrophobicContact CD2-CE 3.78Å; W31-M111 HydrophobicContact CE3-CB 4.4Å; W31-M111 HydrophobicContact CE3-CE 3.83Å; W31-M111 HydrophobicContact CH2-CB 3.72Å; W31-M111 HydrophobicContact CH2-CE 3.86Å; W31-M111 HydrophobicContact CH2-CG 4.48Å; W31-M111 WeakPolarHBondContact CH2-O 3.48Å; W31-M111 HydrophobicContact CZ2-CE 3.79Å; W31-M111 HydrophobicContact CZ3-CB 3.56Å; W31-M111 HydrophobicContact CZ3-CE 3.89Å; W31-M111 WeakPolarHBondContact CZ3-O 3.48Å; N107-M111 WeakPolarHBondContact O-CB 3.26Å; N107-M111 WeakPolarHBondContact O-CG 3.37Å; N107-M111 PolarHBondContact O-N 3.27Å; M111-I113 VanDerWaalsContact C-N 3.34Å; M111-I113 PolarHBondContact O-N 3.36Å; M111-N114 WeakPolarHBondContact O-CB 3.42Å; M111-N114 PolarHBondContact O-N 2.97Å; M111-C115 PolarHBondContact O-N 3.08Å
112R87.2Confident88.2Confident70 Ų7051.2 Ų51.226%0.26426%0.26SS..Hα-helixtrans-57.4-46.1175.3-179.655.6166.5177.2-6.8112.2L96 P108 V109 V110 C115 E116L96-R112 HydrophobicContact CD1-CG 4.02Å; L96-R112 HydrophobicContact CD2-CG 4.23Å; P108-R112 VanDerWaalsContact O-CB 3.3Å; P108-R112 WeakPolarHBondContact O-CB 3.22Å; P108-R112 PolarHBondContact O-N 2.69Å; V109-R112 WeakPolarHBondContact O-CB 3.36Å; V109-R112 PolarHBondContact O-N 2.93Å; V110-R112 VanDerWaalsContact C-N 3.33Å; R112-C115 PolarHBondContact O-N 3.32Å; R112-E116 IonicContact CZ-OE1 2.81Å; R112-E116 IonicContact NE-OE1 2.76Å; R112-E116 PolarHBondContact NE-OE1 3.44Å; R112-E116 IonicContact NH1-OE1 2.82Å; R112-E116 PolarHBondContact NH1-OE1 3.47Å; R112-E116 IonicContact NH2-OE1 3.97Å; R112-E116 PolarHBondContact NH2-OE1 2.97Å; R112-E116 VanDerWaalsContact NH2-OE1 3.09Å; R112-E116 WeakPolarHBondContact O-CG 2.98Å; R112-E116 PolarHBondContact O-N 3.36Å
113I91.2Very high88.9Confident1 Ų146.5 Ų46.51%0.00523%0.231CC..Hα-helixtrans-61.2-46.2177.5-69.2165000111.3M93 L96 V97 V109 V110 M111 C115 E116 L117 L143 I146M93-I113 HydrophobicContact CB-CG1 4.21Å; M93-I113 HydrophobicContact CB-CG2 3.74Å; M93-I113 HydrophobicContact CG-CG2 3.67Å; M93-I113 HydrophobicContact SD-CB 4.19Å; M93-I113 HydrophobicContact SD-CG1 4.17Å; M93-I113 HydrophobicContact SD-CG2 3.8Å; L96-I113 HydrophobicContact CD2-CG1 4.12Å; V97-I113 HydrophobicContact CG2-CD1 3.42Å; V97-I113 VanDerWaalsContact CG2-CD1 3.42Å; V109-I113 HydrophobicContact CG2-CD1 4.39Å; V109-I113 VanDerWaalsContact O-CG1 3.27Å; V109-I113 WeakPolarHBondContact O-CG1 3.3Å; V109-I113 PolarHBondContact O-N 3.44Å; V110-I113 PolarHBondContact O-N 3.14Å; M111-I113 VanDerWaalsContact C-N 3.34Å; M111-I113 PolarHBondContact O-N 3.36Å; I113-C115 VanDerWaalsContact C-N 3.3Å; I113-C115 PolarHBondContact O-N 3.42Å; I113-E116 PolarHBondContact O-N 2.76Å; I113-L117 HydrophobicContact CG2-CD1 4.06Å; I113-L117 PolarHBondContact O-N 2.9Å; I113-L143 HydrophobicContact CB-CD2 4.35Å; I113-L143 HydrophobicContact CG2-CD2 3.44Å; I113-L143 VanDerWaalsContact CG2-CD2 3.44Å; I113-I146 HydrophobicContact CD1-CG2 4.48Å
114N89.8Confident89.6Confident7 Ų738.6 Ų38.64%0.03720%0.199CC..Hα-helixtrans-55-48.4176.1-175.87000110.8T42 V110 M111 E116 L117 M118 F139 L143T42-N114 HydrophobicContact CG2-CB 4.29Å; T42-N114 VanDerWaalsContact CG2-ND2 3.34Å; T42-N114 WeakPolarHBondContact CG2-ND2 3.44Å; T42-N114 WeakPolarHBondContact CG2-OD1 3.43Å; V110-N114 WeakPolarHBondContact O-CB 3.33Å; V110-N114 PolarHBondContact O-N 2.94Å; M111-N114 WeakPolarHBondContact O-CB 3.42Å; M111-N114 PolarHBondContact O-N 2.97Å; N114-E116 PolarHBondContact O-N 3.44Å; N114-L117 PolarHBondContact O-N 3.41Å; N114-M118 WeakPolarHBondContact O-CB 3.28Å; N114-M118 VanDerWaalsContact O-CG 3.3Å; N114-M118 WeakPolarHBondContact O-CG 3.27Å; N114-M118 PolarHBondContact O-N 3.44Å; N114-F139 WeakPolarHBondContact OD1-CE1 3.45Å; N114-F139 WeakPolarHBondContact OD1-CZ 3.44Å; N114-L143 HydrophobicContact CB-CD1 3.91Å
115C90.2Very high90.1Very high0 Ų041.9 Ų41.90%021%0.209CC..Hα-helixtrans-63-41.1178174.70000113.5W31 C39 M111 R112 I113 N119W31-C115 HydrophobicContact CH2-CB 3.79Å; W31-C115 HydrophobicContact CZ3-CB 4.02Å; C39-C115 VanDerWaalsContact CA-SG 3.53Å; C39-C115 HydrophobicContact CB-CB 3.7Å; C39-C115 WeakPolarHBondContact CB-SG 3.48Å; C39-C115 WeakPolarHBondContact SG-CB 3.46Å; C39-C115 CovalentContact SG-SG 2.02Å; C39-C115 PolarHBondContact SG-SG 2.98Å; M111-C115 PolarHBondContact O-N 3.08Å; R112-C115 PolarHBondContact O-N 3.32Å; I113-C115 VanDerWaalsContact C-N 3.3Å; I113-C115 PolarHBondContact O-N 3.42Å; C115-N119 WeakPolarHBondContact O-CB 3.43Å; C115-N119 PolarHBondContact O-N 2.94Å; C115-N119 PolarHBondContact O-ND2 3.22Å; C115-N119 PolarHBondContact SG-ND2 2.93Å
116E92.9Very high90.6Very high44 Ų4445.1 Ų45.121%0.20622%0.223CC..Hα-helixtrans-65.8-42.8178.4-70.2-56.915300112K38 M93 R112 I113 N114 N119 N120K38-E116 IonicContact NZ-OE1 3.76Å; K38-E116 PolarHBondContact NZ-OE1 3.03Å; K38-E116 IonicContact NZ-OE2 2.81Å; K38-E116 PolarHBondContact NZ-OE2 3.22Å; M93-E116 HydrophobicContact CE-CB 3.92Å; M93-E116 HydrophobicContact SD-CB 3.75Å; M93-E116 HydrophobicContact SD-CG 4.47Å; R112-E116 IonicContact CZ-OE1 2.81Å; R112-E116 IonicContact NE-OE1 2.76Å; R112-E116 PolarHBondContact NE-OE1 3.44Å; R112-E116 IonicContact NH1-OE1 2.82Å; R112-E116 PolarHBondContact NH1-OE1 3.47Å; R112-E116 IonicContact NH2-OE1 3.97Å; R112-E116 PolarHBondContact NH2-OE1 2.97Å; R112-E116 VanDerWaalsContact NH2-OE1 3.09Å; R112-E116 WeakPolarHBondContact O-CG 2.98Å; R112-E116 PolarHBondContact O-N 3.36Å; I113-E116 PolarHBondContact O-N 2.76Å; N114-E116 PolarHBondContact O-N 3.44Å; E116-N119 PolarHBondContact O-N 3.25Å; E116-N120 PolarHBondContact O-N 2.96Å
117L93.9Very high91.1Very high3 Ų346.3 Ų46.32%0.01623%0.227CC..Hα-helixtrans-65.9-41.5177.4-72.2173.2000112.1D89 Y90 M93 I113 N114 N119 N120 W123 F139 L143D89-L117 HydrophobicContact CB-CD2 4.21Å; Y90-L117 HydrophobicContact CD1-CD1 4.16Å; Y90-L117 HydrophobicContact CD1-CD2 4.1Å; Y90-L117 HydrophobicContact CE1-CD1 4.02Å; Y90-L117 HydrophobicContact CE1-CD2 4.11Å; M93-L117 HydrophobicContact CG-CD1 4.22Å; M93-L117 HydrophobicContact CG-CD2 4.02Å; M93-L117 HydrophobicContact CG-CG 3.98Å; M93-L117 HydrophobicContact SD-CG 4.27Å; I113-L117 HydrophobicContact CG2-CD1 4.06Å; I113-L117 PolarHBondContact O-N 2.9Å; N114-L117 PolarHBondContact O-N 3.41Å; L117-N119 VanDerWaalsContact C-N 3.28Å; L117-N119 PolarHBondContact O-N 3.21Å; L117-N120 WeakPolarHBondContact O-CB 3.32Å; L117-N120 PolarHBondContact O-N 2.91Å; L117-N120 VanDerWaalsContact O-N 3.11Å; L117-W123 HydrophobicContact CB-CD2 4.42Å; L117-W123 HydrophobicContact CB-CE3 4.06Å; L117-W123 HydrophobicContact CB-CH2 4.3Å; L117-W123 HydrophobicContact CB-CZ3 4Å; L117-W123 HydrophobicContact CD1-CZ2 4.42Å; L117-W123 HydrophobicContact CD2-CD2 4.26Å; L117-W123 HydrophobicContact CD2-CG 4.46Å; L117-F139 HydrophobicContact CB-CE2 4.46Å; L117-F139 HydrophobicContact CB-CZ 4.24Å; L117-F139 HydrophobicContact CD1-CE2 3.74Å; L117-F139 HydrophobicContact CD1-CZ 4.25Å; L117-L143 HydrophobicContact CD1-CD2 4.07Å
118M91.9Very high91.6Very high32 Ų3246.3 Ų46.316%0.15823%0.226CC..Hα-helixtrans-72.2-21.5179.6-68.2-61.7-50.800113.5T42 P43 N114 W123 V124 Y128 F139T42-M118 HydrophobicContact CG2-CB 4.26Å; T42-M118 HydrophobicContact CG2-CG 3.94Å; P43-M118 HydrophobicContact CG-CE 3.84Å; P43-M118 HydrophobicContact CG-CG 4.44Å; P43-M118 HydrophobicContact CG-SD 4.09Å; N114-M118 WeakPolarHBondContact O-CB 3.28Å; N114-M118 VanDerWaalsContact O-CG 3.3Å; N114-M118 WeakPolarHBondContact O-CG 3.27Å; N114-M118 PolarHBondContact O-N 3.44Å; M118-W123 HydrophobicContact SD-CZ3 4.05Å; M118-V124 HydrophobicContact CE-CG2 4.02Å; M118-V124 WeakPolarHBondContact O-CG2 3.42Å; M118-V124 HydrophobicContact SD-CG2 4.19Å; M118-Y128 HydrophobicContact CE-CD1 4.33Å; M118-Y128 HydrophobicContact CE-CE1 4.31Å; M118-Y128 HydrophobicContact SD-CD1 4.45Å; M118-Y128 HydrophobicContact SD-CG 4.49Å; M118-F139 HydrophobicContact CG-CE1 4Å; M118-F139 HydrophobicContact CG-CZ 4.28Å; M118-F139 HydrophobicContact SD-CE1 3.83Å; M118-F139 HydrophobicContact SD-CZ 4.36Å
119N91.4Very high92.1Very high72 Ų7246.2 Ų46.239%0.38522%0.223SC..Hα-helixtrans-82.1-14.4170.3-80.2-52.2000113.3K38 C115 E116 L117 L121K38-N119 WeakPolarHBondContact CE-ND2 3.19Å; K38-N119 WeakPolarHBondContact CG-ND2 3.26Å; K38-N119 PolarHBondContact O-ND2 3.45Å; K38-N119 PolarHBondContact O-OD1 3.41Å; C115-N119 WeakPolarHBondContact O-CB 3.43Å; C115-N119 PolarHBondContact O-N 2.94Å; C115-N119 PolarHBondContact O-ND2 3.22Å; C115-N119 PolarHBondContact SG-ND2 2.93Å; E116-N119 PolarHBondContact O-N 3.25Å; L117-N119 VanDerWaalsContact C-N 3.28Å; L117-N119 PolarHBondContact O-N 3.21Å; N119-L121 PolarHBondContact O-N 2.93Å; N119-L121 VanDerWaalsContact O-N 3.08Å
120N95.1Very high92.3Very high45 Ų4555.8 Ų55.824%0.24126%0.258CS..  trans-79.189.6170.7-176.9-17.7000109.7D89 E116 L117 K122 W123 V124D89-N120 PolarHBondContact OD1-ND2 3.47Å; E116-N120 PolarHBondContact O-N 2.96Å; L117-N120 WeakPolarHBondContact O-CB 3.32Å; L117-N120 PolarHBondContact O-N 2.91Å; L117-N120 VanDerWaalsContact O-N 3.11Å; N120-K122 PolarHBondContact O-N 3.48Å; N120-K122 VanDerWaalsContact O-N 3.14Å; N120-K122 WeakPolarHBondContact OD1-CB 2.98Å; N120-K122 PolarHBondContact OD1-N 3.44Å; N120-W123 HydrophobicContact CB-CB 3.9Å; N120-W123 PolarHBondContact O-N 3.27Å; N120-W123 PolarHBondContact OD1-N 3.13Å; N120-V124 WeakPolarHBondContact O-CG2 3.25Å; N120-V124 PolarHBondContact O-N 2.85Å
121L93.5Very high92.5Very high138 Ų13856.9 Ų56.972%0.72327%0.268SS*.Hα-helixtrans-55.9-32.7-177.2-62.3-179.5000113.4N119 K125N119-L121 PolarHBondContact O-N 2.93Å; N119-L121 VanDerWaalsContact O-N 3.08Å; L121-K125 WeakPolarHBondContact O-CB 3.5Å; L121-K125 PolarHBondContact O-N 2.86Å
122K96.8Very high92.9Very high134 Ų13456.2 Ų56.258%0.58327%0.265SS*.Hα-helixtrans-66.3-51.2175.7-177.8-179177-178.90110.6N120 V124 K125 E126N120-K122 PolarHBondContact O-N 3.48Å; N120-K122 VanDerWaalsContact O-N 3.14Å; N120-K122 WeakPolarHBondContact OD1-CB 2.98Å; N120-K122 PolarHBondContact OD1-N 3.44Å; K122-V124 VanDerWaalsContact C-N 3.29Å; K122-V124 PolarHBondContact O-N 2.78Å; K122-K125 PolarHBondContact O-N 3.2Å; K122-E126 WeakPolarHBondContact CE-OE1 3.33Å; K122-E126 WeakPolarHBondContact CE-OE2 3.35Å; K122-E126 HydrophobicContact CG-CG 4.46Å; K122-E126 WeakPolarHBondContact O-CB 3.35Å; K122-E126 PolarHBondContact O-N 3.45Å
123W96.2Very high93.1Very high3 Ų356.5 Ų56.51%0.01128%0.277CS..Hα-helixtrans-59.8-40.7176.6-178.192.4000111.5Y90 L117 M118 N120 K125 V127 Y128 L132 F139Y90-W123 AromaticContact CE1-CE2 3.76Å; Y90-W123 AromaticContact CE1-CZ2 3.76Å; Y90-W123 HydrophobicContact CE1-CZ2 3.76Å; Y90-W123 AromaticContact CE1-NE1 3.35Å; Y90-W123 AromaticContact CZ-CE2 3.9Å; Y90-W123 AromaticContact CZ-CZ2 3.93Å; Y90-W123 AromaticContact CZ-NE1 3.29Å; Y90-W123 VanDerWaalsContact CZ-NE1 3.29Å; Y90-W123 VanDerWaalsContact OH-CZ2 3.24Å; Y90-W123 WeakPolarHBondContact OH-CZ2 3.14Å; Y90-W123 PolarHBondContact OH-NE1 2.91Å; L117-W123 HydrophobicContact CB-CD2 4.42Å; L117-W123 HydrophobicContact CB-CE3 4.06Å; L117-W123 HydrophobicContact CB-CH2 4.3Å; L117-W123 HydrophobicContact CB-CZ3 4Å; L117-W123 HydrophobicContact CD1-CZ2 4.42Å; L117-W123 HydrophobicContact CD2-CD2 4.26Å; L117-W123 HydrophobicContact CD2-CG 4.46Å; M118-W123 HydrophobicContact SD-CZ3 4.05Å; N120-W123 HydrophobicContact CB-CB 3.9Å; N120-W123 PolarHBondContact O-N 3.27Å; N120-W123 PolarHBondContact OD1-N 3.13Å; W123-K125 PolarHBondContact O-N 2.03Å; W123-V127 HydrophobicContact CD2-CB 4.22Å; W123-V127 HydrophobicContact CG-CB 4.17Å; W123-V127 HydrophobicContact CG-CG2 4.27Å; W123-V127 HydrophobicContact CZ2-CG1 4.14Å; W123-V127 WeakPolarHBondContact O-CA 3.47Å; W123-V127 VanDerWaalsContact O-CB 3.27Å; W123-V127 WeakPolarHBondContact O-CB 3.47Å; W123-V127 PolarHBondContact O-N 3.06Å; W123-Y128 HydrophobicContact CH2-CD2 4.34Å; W123-Y128 HydrophobicContact CZ3-CD2 4.48Å; W123-Y128 HydrophobicContact CZ3-CG 4.27Å; W123-Y128 PolarHBondContact O-N 3.32Å; W123-L132 HydrophobicContact CH2-CD1 4.48Å; W123-L132 HydrophobicContact CZ2-CD1 4.3Å; W123-F139 AromaticContact CH2-CD2 3.8Å; W123-F139 HydrophobicContact CH2-CD2 3.8Å; W123-F139 HydrophobicContact CH2-CE1 4.43Å; W123-F139 AromaticContact CH2-CE2 3.56Å; W123-F139 HydrophobicContact CH2-CE2 3.56Å; W123-F139 HydrophobicContact CH2-CG 4.37Å; W123-F139 AromaticContact CH2-CZ 3.91Å; W123-F139 HydrophobicContact CH2-CZ 3.91Å; W123-F139 HydrophobicContact CZ2-CD2 4.38Å; W123-F139 HydrophobicContact CZ2-CE2 4.21Å; W123-F139 HydrophobicContact CZ3-CE2 4.35Å; W123-F139 HydrophobicContact CZ3-CZ 4.28Å
124V94.7Very high93Very high22 Ų2264.2 Ų64.213%0.13331%0.307CS..Iπ-helixtrans-61.3-45176.3171.70000111.5M118 N120 K122 Y128 N129M118-V124 HydrophobicContact CE-CG2 4.02Å; M118-V124 WeakPolarHBondContact O-CG2 3.42Å; M118-V124 HydrophobicContact SD-CG2 4.19Å; N120-V124 WeakPolarHBondContact O-CG2 3.25Å; N120-V124 PolarHBondContact O-N 2.85Å; K122-V124 VanDerWaalsContact C-N 3.29Å; K122-V124 PolarHBondContact O-N 2.78Å; V124-Y128 HydrophobicContact CG1-CD1 4.42Å; V124-N129 VanDerWaalsContact O-CB 3.27Å; V124-N129 WeakPolarHBondContact O-CB 3.39Å; V124-N129 VanDerWaalsContact O-CG 3.24Å; V124-N129 PolarHBondContact O-N 3.04Å; V124-N129 PolarHBondContact O-ND2 3.41Å
125K96Very high93Very high156 Ų15666 Ų6668%0.67832%0.316SS*.Iπ-helixtrans-67.9-49.1179.9-176.1-179.2177.8-177.70112.4L121 K122 W123L121-K125 WeakPolarHBondContact O-CB 3.5Å; L121-K125 PolarHBondContact O-N 2.86Å; K122-K125 PolarHBondContact O-N 3.2Å; W123-K125 PolarHBondContact O-N 2.03Å
126E94.8Very high92.9Very high104 Ų10467.4 Ų67.449%0.48632%0.324SS..Iπ-helixtrans-86.1-39.1-170-66.5178175.300112.7K122 A131K122-E126 WeakPolarHBondContact CE-OE1 3.33Å; K122-E126 WeakPolarHBondContact CE-OE2 3.35Å; K122-E126 HydrophobicContact CG-CG 4.46Å; K122-E126 WeakPolarHBondContact O-CB 3.35Å; K122-E126 PolarHBondContact O-N 3.45Å; E126-A131 PolarHBondContact O-N 3.02Å
127V94.1Very high92.7Very high38 Ų3870.1 Ų70.123%0.2334%0.336CS..Iπ-helixtrans-100.7-63.8-173.9-174.10000110.4Y90 W123 A131 L132Y90-V127 WeakPolarHBondContact OH-CG1 3.03Å; W123-V127 HydrophobicContact CD2-CB 4.22Å; W123-V127 HydrophobicContact CG-CB 4.17Å; W123-V127 HydrophobicContact CG-CG2 4.27Å; W123-V127 HydrophobicContact CZ2-CG1 4.14Å; W123-V127 WeakPolarHBondContact O-CA 3.47Å; W123-V127 VanDerWaalsContact O-CB 3.27Å; W123-V127 WeakPolarHBondContact O-CB 3.47Å; W123-V127 PolarHBondContact O-N 3.06Å; V127-A131 HydrophobicContact CG1-CB 4.45Å; V127-A131 CarbonylContact O-C 3.54Å; V127-A131 WeakPolarHBondContact O-CA 3.37Å; V127-A131 WeakPolarHBondContact O-CB 3.48Å; V127-A131 PolarHBondContact O-N 3.03Å; V127-L132 HydrophobicContact CG1-CD1 4.15Å; V127-L132 HydrophobicContact CG1-CD2 4.43Å; V127-L132 HydrophobicContact CG1-CG 4.02Å; V127-L132 WeakPolarHBondContact O-CG 2.88Å; V127-L132 PolarHBondContact O-N 3.47Å
128Y92.7Very high92.6Very high20 Ų2070 Ų708%0.07834%0.335CS..Iπ-helixtrans-63.1-51.9-173-179.5-110.5000113.2M118 W123 V124 L132 S133 R134 F139M118-Y128 HydrophobicContact CE-CD1 4.33Å; M118-Y128 HydrophobicContact CE-CE1 4.31Å; M118-Y128 HydrophobicContact SD-CD1 4.45Å; M118-Y128 HydrophobicContact SD-CG 4.49Å; W123-Y128 HydrophobicContact CH2-CD2 4.34Å; W123-Y128 HydrophobicContact CZ3-CD2 4.48Å; W123-Y128 HydrophobicContact CZ3-CG 4.27Å; W123-Y128 PolarHBondContact O-N 3.32Å; V124-Y128 HydrophobicContact CG1-CD1 4.42Å; Y128-L132 HydrophobicContact CD2-CD1 4.46Å; Y128-L132 CarbonylContact O-C 3.6Å; Y128-S133 PolarHBondContact O-N 3.05Å; Y128-R134 HydrophobicContact CD1-CG 4.41Å; Y128-R134 HydrophobicContact CE1-CB 4.16Å; Y128-R134 HydrophobicContact CE1-CG 4.1Å; Y128-R134 PolarHBondContact O-N 3.33Å; Y128-R134 PolarHBondContact OH-O 3.35Å; Y128-F139 HydrophobicContact CD2-CB 4.45Å; Y128-F139 HydrophobicContact CD2-CD1 4.23Å; Y128-F139 HydrophobicContact CD2-CG 4.43Å; Y128-F139 HydrophobicContact CE2-CB 4.24Å; Y128-F139 AromaticContact CE2-CD1 3.97Å; Y128-F139 HydrophobicContact CE2-CD1 3.97Å; Y128-F139 HydrophobicContact CE2-CG 4.4Å
129N92.7Very high92.5Very high55 Ų5568.5 Ų68.529%0.29433%0.328SS..Iπ-helixtrans-70.9-40.2-176.3-75.3-33.4000112.8V124 R134V124-N129 VanDerWaalsContact O-CB 3.27Å; V124-N129 WeakPolarHBondContact O-CB 3.39Å; V124-N129 VanDerWaalsContact O-CG 3.24Å; V124-N129 PolarHBondContact O-N 3.04Å; V124-N129 PolarHBondContact O-ND2 3.41Å; N129-R134 WeakPolarHBondContact OD1-CG 3.42Å; N129-R134 PolarHBondContact OD1-NE 2.94Å
130R92.4Very high92.4Very high204 Ų20465.2 Ų65.277%0.7731%0.31SS*.Iπ-helixtrans-98.7-66.4-172.5175.6179157.9175.7-6111.7L132 S133R130-L132 PolarHBondContact O-N 3.32Å; R130-S133 PolarHBondContact O-N 3.36Å
131A91.2Very high92.3Very high30 Ų3063.1 Ų63.125%0.24830%0.299CS..Iπ-helixtrans-64.4-42.2-175.400000113F69 E126 V127F69-A131 HydrophobicContact CE1-CB 4.37Å; F69-A131 HydrophobicContact CZ-CB 4.08Å; E126-A131 PolarHBondContact O-N 3.02Å; V127-A131 HydrophobicContact CG1-CB 4.45Å; V127-A131 CarbonylContact O-C 3.54Å; V127-A131 WeakPolarHBondContact O-CA 3.37Å; V127-A131 WeakPolarHBondContact O-CB 3.48Å; V127-A131 PolarHBondContact O-N 3.03Å
132L91.8Very high92.3Very high2 Ų256.6 Ų56.61%0.0126%0.264CS..THydrogen-bonded Turntrans-92-1.9179.6-48.2-176.1000112.9L64 W123 V127 Y128 R130 R134 N135 I138 I142L64-L132 HydrophobicContact CD2-CD2 4.42Å; W123-L132 HydrophobicContact CH2-CD1 4.48Å; W123-L132 HydrophobicContact CZ2-CD1 4.3Å; V127-L132 HydrophobicContact CG1-CD1 4.15Å; V127-L132 HydrophobicContact CG1-CD2 4.43Å; V127-L132 HydrophobicContact CG1-CG 4.02Å; V127-L132 WeakPolarHBondContact O-CG 2.88Å; V127-L132 PolarHBondContact O-N 3.47Å; Y128-L132 HydrophobicContact CD2-CD1 4.46Å; Y128-L132 CarbonylContact O-C 3.6Å; R130-L132 PolarHBondContact O-N 3.32Å; L132-R134 PolarHBondContact O-N 3.38Å; L132-R134 VanDerWaalsContact O-N 3.11Å; L132-N135 VanDerWaalsContact O-CB 3.22Å; L132-N135 WeakPolarHBondContact O-CB 3.5Å; L132-N135 PolarHBondContact O-N 3.24Å; L132-I138 HydrophobicContact CB-CD1 4.46Å; L132-I138 HydrophobicContact CD2-CG2 3.8Å; L132-I142 HydrophobicContact CD1-CD1 3.58Å; L132-I142 HydrophobicContact CD2-CD1 4.1Å
133S91.5Very high92.1Very high76 Ų7650.2 Ų50.253%0.53124%0.237SC..THydrogen-bonded Turntrans50.137179.9-60.40000114Y128 R130 N135Y128-S133 PolarHBondContact O-N 3.05Å; R130-S133 PolarHBondContact O-N 3.36Å; S133-N135 PolarHBondContact O-N 2.99Å; S133-N135 VanDerWaalsContact O-N 3.09Å
134R89.7Confident91.9Very high164 Ų16450.2 Ų50.262%0.61924%0.237SC*.THydrogen-bonded Turntrans56.320.3-175.5-56.1179174.11691.3114.5Y128 N129 L132 T136Y128-R134 HydrophobicContact CD1-CG 4.41Å; Y128-R134 HydrophobicContact CE1-CB 4.16Å; Y128-R134 HydrophobicContact CE1-CG 4.1Å; Y128-R134 PolarHBondContact O-N 3.33Å; Y128-R134 PolarHBondContact OH-O 3.35Å; N129-R134 WeakPolarHBondContact OD1-CG 3.42Å; N129-R134 PolarHBondContact OD1-NE 2.94Å; L132-R134 PolarHBondContact O-N 3.38Å; L132-R134 VanDerWaalsContact O-N 3.11Å; R134-T136 PolarHBondContact O-N 3.05Å
135N90.2Very high91.9Very high43 Ų4349.2 Ų49.223%0.2323%0.231CC..  trans-76.6109.9-178.9-172.5-18.3000110.6T63 L132 S133 K137 I138 F139T63-N135 PolarHBondContact O-ND2 2.87Å; L132-N135 VanDerWaalsContact O-CB 3.22Å; L132-N135 WeakPolarHBondContact O-CB 3.5Å; L132-N135 PolarHBondContact O-N 3.24Å; S133-N135 PolarHBondContact O-N 2.99Å; S133-N135 VanDerWaalsContact O-N 3.09Å; N135-K137 VanDerWaalsContact C-N 3.25Å; N135-K137 PolarHBondContact O-N 3.46Å; N135-K137 WeakPolarHBondContact OD1-CB 2.99Å; N135-K137 PolarHBondContact OD1-N 2.95Å; N135-I138 HydrophobicContact CB-CB 4.41Å; N135-I138 HydrophobicContact CB-CD1 3.56Å; N135-I138 HydrophobicContact CB-CG1 3.82Å; N135-I138 PolarHBondContact O-N 2.87Å; N135-F139 PolarHBondContact O-N 3.2Å
136T87.8Confident91.9Very high30 Ų3042 Ų4218%0.18420%0.2CC..Hα-helixtrans-67.3-23.3-178.555.40000113.5L45 R134 R140L45-T136 HydrophobicContact CD2-CG2 4.27Å; R134-T136 PolarHBondContact O-N 3.05Å; T136-R140 WeakPolarHBondContact O-CB 3.37Å; T136-R140 PolarHBondContact O-N 3.22Å
137K88.5Confident91.9Very high101 Ų10137.5 Ų37.544%0.43918%0.178SC..Hα-helixtrans-69.9-44.8174.7-65.9-173.8177.7-177.30111.5T63 N135 F139 R140 A141T63-K137 HydrophobicContact CG2-CB 4.23Å; T63-K137 HydrophobicContact CG2-CD 4.37Å; N135-K137 VanDerWaalsContact C-N 3.25Å; N135-K137 PolarHBondContact O-N 3.46Å; N135-K137 WeakPolarHBondContact OD1-CB 2.99Å; N135-K137 PolarHBondContact OD1-N 2.95Å; K137-F139 VanDerWaalsContact C-N 3.31Å; K137-F139 PolarHBondContact O-N 2.81Å; K137-R140 PolarHBondContact O-N 3.2Å; K137-A141 PolarHBondContact O-N 3.42Å
138I90.6Very high91.8Very high2 Ų235.9 Ų35.91%0.0117%0.168CC..Hα-helixtrans-60.8-46.3175.9-52.8169.2000109.3Y60 T63 L64 L132 N135 R140 A141 I142Y60-I138 HydrophobicContact CD2-CG2 3.55Å; Y60-I138 HydrophobicContact CE2-CG2 3.75Å; T63-I138 VanDerWaalsContact O-CD1 3.23Å; T63-I138 WeakPolarHBondContact O-CD1 3.06Å; T63-I138 WeakPolarHBondContact OG1-CG1 3.1Å; L64-I138 HydrophobicContact CD2-CD1 4.04Å; L64-I138 HydrophobicContact CD2-CG2 4.36Å; L64-I138 HydrophobicContact CG-CD1 4.34Å; L64-I138 HydrophobicContact CG-CG2 4.42Å; L132-I138 HydrophobicContact CB-CD1 4.46Å; L132-I138 HydrophobicContact CD2-CG2 3.8Å; N135-I138 HydrophobicContact CB-CB 4.41Å; N135-I138 HydrophobicContact CB-CD1 3.56Å; N135-I138 HydrophobicContact CB-CG1 3.82Å; N135-I138 PolarHBondContact O-N 2.87Å; I138-R140 VanDerWaalsContact C-N 3.33Å; I138-R140 PolarHBondContact O-N 2.92Å; I138-A141 WeakPolarHBondContact O-CB 3.39Å; I138-A141 PolarHBondContact O-N 3.01Å; I138-I142 HydrophobicContact CG2-CD1 4.33Å; I138-I142 WeakPolarHBondContact O-CG1 3.33Å; I138-I142 PolarHBondContact O-N 3.13Å
139F91.8Very high92Very high0 Ų035 Ų350%017%0.165CC..Hα-helixtrans-62.4-41.1179.3-175.2-155.5000111.9L45 N114 L117 M118 W123 Y128 N135 K137 A141 I142 L143L45-F139 HydrophobicContact CD1-CD1 4.25Å; L45-F139 HydrophobicContact CD1-CE1 4.35Å; L45-F139 HydrophobicContact CD2-CB 4.48Å; L45-F139 HydrophobicContact CD2-CD1 3.47Å; L45-F139 VanDerWaalsContact CD2-CD1 3.47Å; L45-F139 HydrophobicContact CD2-CE1 4Å; L45-F139 HydrophobicContact CD2-CG 4.26Å; L45-F139 HydrophobicContact CG-CD1 4.49Å; N114-F139 WeakPolarHBondContact OD1-CE1 3.45Å; N114-F139 WeakPolarHBondContact OD1-CZ 3.44Å; L117-F139 HydrophobicContact CB-CE2 4.46Å; L117-F139 HydrophobicContact CB-CZ 4.24Å; L117-F139 HydrophobicContact CD1-CE2 3.74Å; L117-F139 HydrophobicContact CD1-CZ 4.25Å; M118-F139 HydrophobicContact CG-CE1 4Å; M118-F139 HydrophobicContact CG-CZ 4.28Å; M118-F139 HydrophobicContact SD-CE1 3.83Å; M118-F139 HydrophobicContact SD-CZ 4.36Å; W123-F139 AromaticContact CH2-CD2 3.8Å; W123-F139 HydrophobicContact CH2-CD2 3.8Å; W123-F139 HydrophobicContact CH2-CE1 4.43Å; W123-F139 AromaticContact CH2-CE2 3.56Å; W123-F139 HydrophobicContact CH2-CE2 3.56Å; W123-F139 HydrophobicContact CH2-CG 4.37Å; W123-F139 AromaticContact CH2-CZ 3.91Å; W123-F139 HydrophobicContact CH2-CZ 3.91Å; W123-F139 HydrophobicContact CZ2-CD2 4.38Å; W123-F139 HydrophobicContact CZ2-CE2 4.21Å; W123-F139 HydrophobicContact CZ3-CE2 4.35Å; W123-F139 HydrophobicContact CZ3-CZ 4.28Å; Y128-F139 HydrophobicContact CD2-CB 4.45Å; Y128-F139 HydrophobicContact CD2-CD1 4.23Å; Y128-F139 HydrophobicContact CD2-CG 4.43Å; Y128-F139 HydrophobicContact CE2-CB 4.24Å; Y128-F139 AromaticContact CE2-CD1 3.97Å; Y128-F139 HydrophobicContact CE2-CD1 3.97Å; Y128-F139 HydrophobicContact CE2-CG 4.4Å; N135-F139 PolarHBondContact O-N 3.2Å; K137-F139 VanDerWaalsContact C-N 3.31Å; K137-F139 PolarHBondContact O-N 2.81Å; F139-A141 VanDerWaalsContact C-N 3.33Å; F139-A141 PolarHBondContact O-N 2.96Å; F139-I142 WeakPolarHBondContact O-CB 3.46Å; F139-I142 PolarHBondContact O-N 2.97Å; F139-L143 HydrophobicContact CD2-CD2 4.46Å; F139-L143 HydrophobicContact CD2-CG 4.23Å; F139-L143 HydrophobicContact CE2-CD1 4.31Å; F139-L143 HydrophobicContact CE2-CD2 3.78Å; F139-L143 HydrophobicContact CE2-CG 3.96Å; F139-L143 HydrophobicContact CZ-CD1 4.4Å; F139-L143 HydrophobicContact CZ-CD2 4.35Å; F139-L143 WeakPolarHBondContact O-CG 3.38Å; F139-L143 PolarHBondContact O-N 3.26Å; F139-L143 VanDerWaalsContact O-N 3.11Å
140R89Confident92.2Very high3 Ų332.4 Ų32.41%0.01115%0.151CC..Hα-helixtrans-59.5-42.9174.8-178.465.6-16889.99.1112.3T26 Q48 T136 K137 I138 L143 D144T26-R140 PolarHBondContact OG1-NE 3.25Å; T26-R140 PolarHBondContact OG1-NH2 3.36Å; Q48-R140 HydrophobicContact CB-CG 3.96Å; T136-R140 WeakPolarHBondContact O-CB 3.37Å; T136-R140 PolarHBondContact O-N 3.22Å; K137-R140 PolarHBondContact O-N 3.2Å; I138-R140 VanDerWaalsContact C-N 3.33Å; I138-R140 PolarHBondContact O-N 2.92Å; R140-L143 WeakPolarHBondContact O-CB 3.41Å; R140-L143 PolarHBondContact O-N 3.47Å; R140-D144 IonicContact CZ-OD1 3.95Å; R140-D144 IonicContact CZ-OD2 3.98Å; R140-D144 IonicContact NE-OD2 2.69Å; R140-D144 IonicContact NH1-OD1 3.06Å; R140-D144 PolarHBondContact NH1-OD1 2.91Å; R140-D144 IonicContact NH1-OD2 2.89Å; R140-D144 PolarHBondContact NH1-OD2 3.21Å; R140-D144 VanDerWaalsContact NH2-CG 3.33Å; R140-D144 IonicContact NH2-OD1 3.67Å; R140-D144 PolarHBondContact NH2-OD1 3.4Å; R140-D144 IonicContact NH2-OD2 3.8Å; R140-D144 PolarHBondContact NH2-OD2 3Å; R140-D144 PolarHBondContact O-N 3.15Å
141A91.8Very high92.2Very high0 Ų023.2 Ų23.20%012%0.117CC..Hα-helixtrans-62.3-41.5176.700000112.3V59 K137 I138 F139 L143 D144 I145V59-A141 HydrophobicContact CB-CB 4.17Å; V59-A141 HydrophobicContact CG1-CB 3.8Å; K137-A141 PolarHBondContact O-N 3.42Å; I138-A141 WeakPolarHBondContact O-CB 3.39Å; I138-A141 PolarHBondContact O-N 3.01Å; F139-A141 VanDerWaalsContact C-N 3.33Å; F139-A141 PolarHBondContact O-N 2.96Å; A141-L143 VanDerWaalsContact C-N 3.31Å; A141-L143 PolarHBondContact O-N 3.26Å; A141-D144 PolarHBondContact O-N 2.83Å; A141-I145 WeakPolarHBondContact O-CD1 3.43Å; A141-I145 VanDerWaalsContact O-CG1 3.28Å; A141-I145 WeakPolarHBondContact O-CG1 3.39Å; A141-I145 PolarHBondContact O-N 3.46Å
142I94.1Very high92.4Very high1 Ų121.8 Ų21.81%0.00511%0.105CC..Hα-helixtrans-58.2-44.8174-65167.9000110.7Y60 I84 Y90 L132 I138 F139 D144 I145 I146Y60-I142 HydrophobicContact CD2-CD1 4.32Å; Y60-I142 HydrophobicContact CD2-CG1 3.71Å; Y60-I142 HydrophobicContact CE2-CD1 3.93Å; Y60-I142 HydrophobicContact CE2-CG1 3.72Å; I84-I142 HydrophobicContact CD1-CB 4.36Å; I84-I142 HydrophobicContact CD1-CG1 3.87Å; I84-I142 HydrophobicContact CD1-CG2 4.3Å; I84-I142 HydrophobicContact CG1-CG1 4.4Å; Y90-I142 HydrophobicContact CD1-CG2 4.05Å; Y90-I142 HydrophobicContact CE1-CG2 3.71Å; Y90-I142 HydrophobicContact CE2-CG2 4.48Å; L132-I142 HydrophobicContact CD1-CD1 3.58Å; L132-I142 HydrophobicContact CD2-CD1 4.1Å; I138-I142 HydrophobicContact CG2-CD1 4.33Å; I138-I142 WeakPolarHBondContact O-CG1 3.33Å; I138-I142 PolarHBondContact O-N 3.13Å; F139-I142 WeakPolarHBondContact O-CB 3.46Å; F139-I142 PolarHBondContact O-N 2.97Å; I142-D144 VanDerWaalsContact C-N 3.35Å; I142-D144 PolarHBondContact O-N 2.87Å; I142-I145 PolarHBondContact O-N 3.05Å; I142-I146 HydrophobicContact CG2-CD1 3.77Å; I142-I146 HydrophobicContact CG2-CG1 4.47Å; I142-I146 WeakPolarHBondContact O-CG1 3.39Å; I142-I146 PolarHBondContact O-N 2.02Å
143L92.6Very high92.5Very high1 Ų122.3 Ų22.31%0.00511%0.107CC..Hα-helixtrans-63.4-39.8177.6-63.2-174.4000112.3L45 V110 I113 N114 L117 F139 R140 A141 Y147L45-L143 HydrophobicContact CD1-CD1 3.31Å; L45-L143 HydrophobicContact CD1-CG 4.48Å; V110-L143 HydrophobicContact CG1-CB 4.27Å; V110-L143 HydrophobicContact CG1-CD1 4.12Å; I113-L143 HydrophobicContact CB-CD2 4.35Å; I113-L143 HydrophobicContact CG2-CD2 3.44Å; I113-L143 VanDerWaalsContact CG2-CD2 3.44Å; N114-L143 HydrophobicContact CB-CD1 3.91Å; L117-L143 HydrophobicContact CD1-CD2 4.07Å; F139-L143 HydrophobicContact CD2-CD2 4.46Å; F139-L143 HydrophobicContact CD2-CG 4.23Å; F139-L143 HydrophobicContact CE2-CD1 4.31Å; F139-L143 HydrophobicContact CE2-CD2 3.78Å; F139-L143 HydrophobicContact CE2-CG 3.96Å; F139-L143 HydrophobicContact CZ-CD1 4.4Å; F139-L143 HydrophobicContact CZ-CD2 4.35Å; F139-L143 WeakPolarHBondContact O-CG 3.38Å; F139-L143 PolarHBondContact O-N 3.26Å; F139-L143 VanDerWaalsContact O-N 3.11Å; R140-L143 WeakPolarHBondContact O-CB 3.41Å; R140-L143 PolarHBondContact O-N 3.47Å; A141-L143 VanDerWaalsContact C-N 3.31Å; A141-L143 PolarHBondContact O-N 3.26Å; L143-Y147 WeakPolarHBondContact O-CB 3.45Å; L143-Y147 PolarHBondContact O-N 3.14Å
144D92Very high92.5Very high3 Ų321.4 Ų21.42%0.0169%0.092CC..Hα-helixtrans-62.9-44.9175.5-81-37.7000112.1A56 R140 A141 I142 Y147 R148A56-D144 HydrophobicContact CB-CB 3.64Å; R140-D144 IonicContact CZ-OD1 3.95Å; R140-D144 IonicContact CZ-OD2 3.98Å; R140-D144 IonicContact NE-OD2 2.69Å; R140-D144 IonicContact NH1-OD1 3.06Å; R140-D144 PolarHBondContact NH1-OD1 2.91Å; R140-D144 IonicContact NH1-OD2 2.89Å; R140-D144 PolarHBondContact NH1-OD2 3.21Å; R140-D144 VanDerWaalsContact NH2-CG 3.33Å; R140-D144 IonicContact NH2-OD1 3.67Å; R140-D144 PolarHBondContact NH2-OD1 3.4Å; R140-D144 IonicContact NH2-OD2 3.8Å; R140-D144 PolarHBondContact NH2-OD2 3Å; R140-D144 PolarHBondContact O-N 3.15Å; A141-D144 PolarHBondContact O-N 2.83Å; I142-D144 VanDerWaalsContact C-N 3.35Å; I142-D144 PolarHBondContact O-N 2.87Å; D144-Y147 PolarHBondContact O-N 3.08Å; D144-R148 VanDerWaalsContact O-CB 3.3Å; D144-R148 WeakPolarHBondContact O-CB 3.5Å; D144-R148 VanDerWaalsContact O-CG 3.26Å; D144-R148 WeakPolarHBondContact O-CG 3.48Å; D144-R148 PolarHBondContact O-N 3.07Å
145I94.8Very high92.5Very high0 Ų016.5 Ų16.50%08%0.077CC..Hα-helixtrans-60.5-50.1178.4-67161000110.1A56 Y60 P80 P81 I84 A141 I142 Y147 L149A56-I145 HydrophobicContact CB-CD1 4.4Å; A56-I145 HydrophobicContact CB-CG1 3.67Å; Y60-I145 HydrophobicContact CG-CD1 4.49Å; P80-I145 HydrophobicContact CB-CG2 3.97Å; P81-I145 HydrophobicContact CG-CD1 4.2Å; I84-I145 HydrophobicContact CD1-CD1 3.69Å; I84-I145 HydrophobicContact CD1-CG2 4.44Å; A141-I145 WeakPolarHBondContact O-CD1 3.43Å; A141-I145 VanDerWaalsContact O-CG1 3.28Å; A141-I145 WeakPolarHBondContact O-CG1 3.39Å; A141-I145 PolarHBondContact O-N 3.46Å; I142-I145 PolarHBondContact O-N 3.05Å; I145-Y147 PolarHBondContact O-N 3.06Å; I145-L149 WeakPolarHBondContact O-CB 3.38Å; I145-L149 PolarHBondContact O-N 3.26Å
146I95.9Very high92.3Very high5 Ų516.8 Ų16.83%0.0268%0.078CC..Hα-helixtrans-62.3-45.2-179.7-67.3168.7000110.9I84 Y90 M93 L94 V97 I113 I142 G150I84-I146 HydrophobicContact CG2-CD1 4.48Å; I84-I146 HydrophobicContact CG2-CG1 4.19Å; Y90-I146 HydrophobicContact CD1-CD1 3.64Å; Y90-I146 HydrophobicContact CG-CD1 3.91Å; M93-I146 HydrophobicContact CB-CD1 4.34Å; M93-I146 HydrophobicContact CB-CG2 3.97Å; L94-I146 HydrophobicContact CB-CG2 4.2Å; V97-I146 HydrophobicContact CG2-CG2 4.46Å; I113-I146 HydrophobicContact CD1-CG2 4.48Å; I142-I146 HydrophobicContact CG2-CD1 3.77Å; I142-I146 HydrophobicContact CG2-CG1 4.47Å; I142-I146 WeakPolarHBondContact O-CG1 3.39Å; I142-I146 PolarHBondContact O-N 2.02Å; I146-G150 PolarHBondContact O-N 2.89Å
147Y93.9Very high92.2Very high9 Ų918.4 Ų18.44%0.0359%0.085CC..Hα-helixtrans-64.1-50.8-178.8179.6-110.5000111.9Y24 V97 L105 G106 V109 V110 L143 D144 I145 L149 G150 L151Y24-Y147 HydrophobicContact CD1-CD1 4.07Å; Y24-Y147 AromaticContact CD1-CE1 3.75Å; Y24-Y147 HydrophobicContact CD1-CE1 3.75Å; Y24-Y147 AromaticContact CD2-CE1 3.64Å; Y24-Y147 HydrophobicContact CD2-CE1 3.64Å; Y24-Y147 AromaticContact CD2-CZ 3.98Å; Y24-Y147 AromaticContact CE1-CD1 3.8Å; Y24-Y147 HydrophobicContact CE1-CD1 3.8Å; Y24-Y147 AromaticContact CE1-CE1 3.52Å; Y24-Y147 HydrophobicContact CE1-CE1 3.52Å; Y24-Y147 HydrophobicContact CE2-CD1 4.42Å; Y24-Y147 AromaticContact CE2-CE1 3.36Å; Y24-Y147 HydrophobicContact CE2-CE1 3.36Å; Y24-Y147 HydrophobicContact CE2-CE2 4.33Å; Y24-Y147 AromaticContact CE2-CZ 3.31Å; Y24-Y147 WeakPolarHBondContact CE2-OH 3.41Å; Y24-Y147 HydrophobicContact CG-CD1 4.45Å; Y24-Y147 AromaticContact CG-CE1 3.74Å; Y24-Y147 HydrophobicContact CG-CE1 3.74Å; Y24-Y147 AromaticContact CZ-CD1 3.93Å; Y24-Y147 AromaticContact CZ-CE1 3.26Å; Y24-Y147 AromaticContact CZ-CZ 3.33Å; Y24-Y147 WeakPolarHBondContact OH-CE2 3.33Å; V97-Y147 HydrophobicContact CG1-CD2 3.87Å; V97-Y147 HydrophobicContact CG1-CE2 4.13Å; V97-Y147 HydrophobicContact CG2-CD2 4.21Å; L105-Y147 HydrophobicContact CD2-CE2 4.16Å; G106-Y147 PolarHBondContact N-OH 3.23Å; V109-Y147 HydrophobicContact CG1-CD2 3.79Å; V109-Y147 HydrophobicContact CG1-CE2 3.45Å; V109-Y147 VanDerWaalsContact CG1-CE2 3.45Å; V110-Y147 HydrophobicContact CG2-CD1 4.27Å; V110-Y147 HydrophobicContact CG2-CD2 3.67Å; V110-Y147 HydrophobicContact CG2-CE2 4.29Å; V110-Y147 HydrophobicContact CG2-CG 3.66Å; L143-Y147 WeakPolarHBondContact O-CB 3.45Å; L143-Y147 PolarHBondContact O-N 3.14Å; D144-Y147 PolarHBondContact O-N 3.08Å; I145-Y147 PolarHBondContact O-N 3.06Å; Y147-L149 PolarHBondContact O-N 3.03Å; Y147-G150 WeakPolarHBondContact O-CA 3.32Å; Y147-G150 PolarHBondContact O-N 2.69Å; Y147-G150 VanDerWaalsContact O-N 3.12Å; Y147-L151 HydrophobicContact CD1-CD1 4.18Å; Y147-L151 HydrophobicContact CE1-CD1 3.49Å; Y147-L151 VanDerWaalsContact CE1-CD1 3.49Å; Y147-L151 HydrophobicContact CE1-CG 4.08Å; Y147-L151 HydrophobicContact CE2-CD2 4.23Å; Y147-L151 HydrophobicContact CE2-CG 4.31Å; Y147-L151 PolarHBondContact O-N 3.24Å
148R93.8Very high92.1Very high4 Ų416.3 Ų16.32%0.0158%0.082CC..Hα-helixtrans-64.3-41.7179.8-70.1178.9171.3-793.3111.8V50 Q51 I53 D144 G150 L151 C152 L160 N161V50-R148 PolarHBondContact O-NH2 2.9Å; Q51-R148 VanDerWaalsContact C-NH2 3.34Å; Q51-R148 PolarHBondContact O-NH1 3.25Å; Q51-R148 PolarHBondContact O-NH2 3.03Å; I53-R148 HydrophobicContact CB-CB 4.23Å; I53-R148 HydrophobicContact CD1-CB 4.31Å; I53-R148 HydrophobicContact CG1-CB 4.31Å; D144-R148 VanDerWaalsContact O-CB 3.3Å; D144-R148 WeakPolarHBondContact O-CB 3.5Å; D144-R148 VanDerWaalsContact O-CG 3.26Å; D144-R148 WeakPolarHBondContact O-CG 3.48Å; D144-R148 PolarHBondContact O-N 3.07Å; R148-G150 VanDerWaalsContact C-N 3.27Å; R148-G150 PolarHBondContact O-N 2.91Å; R148-L151 WeakPolarHBondContact O-CB 3.48Å; R148-L151 PolarHBondContact O-N 3.09Å; R148-L151 VanDerWaalsContact O-N 3.12Å; R148-C152 PolarHBondContact O-N 3.15Å; R148-L160 PolarHBondContact NH1-O 3.43Å; R148-N161 PolarHBondContact NH1-OD1 3.26Å
149L96Very high91.7Very high2 Ų221.2 Ų21.21%0.0111%0.105CC..Hα-helixtrans-60.6-40.5173.8-171.759.6000111I53 L85 L94 I145 Y147 L151 C152 F153 F229 I246I53-L149 HydrophobicContact CD1-CB 4.15Å; L85-L149 HydrophobicContact CD2-CD2 3.48Å; L85-L149 VanDerWaalsContact CD2-CD2 3.48Å; L94-L149 HydrophobicContact CD1-CB 4.15Å; L94-L149 HydrophobicContact CD1-CD2 4.48Å; L94-L149 HydrophobicContact CD1-CG 4.14Å; L94-L149 HydrophobicContact CD2-CD2 4.03Å; L94-L149 HydrophobicContact CD2-CG 4.39Å; I145-L149 WeakPolarHBondContact O-CB 3.38Å; I145-L149 PolarHBondContact O-N 3.26Å; Y147-L149 PolarHBondContact O-N 3.03Å; L149-L151 PolarHBondContact O-N 3.46Å; L149-C152 VanDerWaalsContact O-CB 3.31Å; L149-C152 WeakPolarHBondContact O-CB 3.3Å; L149-C152 PolarHBondContact O-N 3.21Å; L149-C152 VanDerWaalsContact O-N 3.15Å; L149-F153 HydrophobicContact CD1-CD2 4.38Å; L149-F153 HydrophobicContact CD1-CE2 4.19Å; L149-F153 HydrophobicContact CG-CD2 4.14Å; L149-F153 HydrophobicContact CG-CE2 4.01Å; L149-F153 VanDerWaalsContact O-CD2 3.31Å; L149-F153 WeakPolarHBondContact O-CD2 3.45Å; L149-F153 PolarHBondContact O-N 2.8Å; L149-F229 HydrophobicContact CD2-CE2 3.95Å; L149-F229 HydrophobicContact CD2-CZ 4.35Å; L149-I246 HydrophobicContact CD1-CD1 4.08Å; L149-I246 HydrophobicContact CD1-CG2 4.41Å
150G95.9Very high91.4Very high0 Ų022.1 Ų22.10%011%0.109CC..Hα-helixtrans-60.8-40.7173.500000113.5L94 I146 Y147 R148 F153 R154L94-G150 VanDerWaalsContact CD1-CA 3.42Å; L94-G150 VanDerWaalsContact CD1-N 3.29Å; I146-G150 PolarHBondContact O-N 2.89Å; Y147-G150 WeakPolarHBondContact O-CA 3.32Å; Y147-G150 PolarHBondContact O-N 2.69Å; Y147-G150 VanDerWaalsContact O-N 3.12Å; R148-G150 VanDerWaalsContact C-N 3.27Å; R148-G150 PolarHBondContact O-N 2.91Å; G150-F153 PolarHBondContact O-N 3.38Å; G150-R154 VanDerWaalsContact O-CG 3.32Å; G150-R154 WeakPolarHBondContact O-CG 3.23Å; G150-R154 PolarHBondContact O-N 2.9Å
151L93.3Very high91.5Very high11 Ų1122.2 Ų22.26%0.05811%0.11CC..Hα-helixtrans-64.9-38.6172.2-64.8-175.4000112.1L105 Y147 R148 L149 F153 R154 E155 I156 N161L105-L151 HydrophobicContact CD1-CD2 3.97Å; L105-L151 HydrophobicContact CD2-CD2 3.94Å; Y147-L151 HydrophobicContact CD1-CD1 4.18Å; Y147-L151 HydrophobicContact CE1-CD1 3.49Å; Y147-L151 VanDerWaalsContact CE1-CD1 3.49Å; Y147-L151 HydrophobicContact CE1-CG 4.08Å; Y147-L151 HydrophobicContact CE2-CD2 4.23Å; Y147-L151 HydrophobicContact CE2-CG 4.31Å; Y147-L151 PolarHBondContact O-N 3.24Å; R148-L151 WeakPolarHBondContact O-CB 3.48Å; R148-L151 PolarHBondContact O-N 3.09Å; R148-L151 VanDerWaalsContact O-N 3.12Å; L149-L151 PolarHBondContact O-N 3.46Å; L151-F153 PolarHBondContact O-N 3.02Å; L151-R154 CarbonylContact O-C 3.42Å; L151-R154 WeakPolarHBondContact O-CA 3.09Å; L151-R154 WeakPolarHBondContact O-CB 3.47Å; L151-R154 PolarHBondContact O-N 3.41Å; L151-R154 VanDerWaalsContact O-N 3.07Å; L151-E155 PolarHBondContact O-N 3.27Å; L151-I156 HydrophobicContact CB-CB 4.39Å; L151-I156 HydrophobicContact CD2-CB 4.4Å; L151-I156 HydrophobicContact CD2-CD1 4.06Å; L151-I156 PolarHBondContact O-N 2.93Å; L151-N161 HydrophobicContact CB-CB 3.87Å; L151-N161 WeakPolarHBondContact CD1-ND2 3.38Å
152C94.8Very high91.6Very high1 Ų123.1 Ų23.11%0.00712%0.116CC..Hα-helixtrans-60.6-43.9173.8179.60000112R148 L149 R154 E155 N161 C162 K242R148-C152 PolarHBondContact O-N 3.15Å; L149-C152 VanDerWaalsContact O-CB 3.31Å; L149-C152 WeakPolarHBondContact O-CB 3.3Å; L149-C152 PolarHBondContact O-N 3.21Å; L149-C152 VanDerWaalsContact O-N 3.15Å; C152-R154 PolarHBondContact O-N 3.48Å; C152-E155 PolarHBondContact O-N 3.26Å; C152-N161 HydrophobicContact CB-CB 4.49Å; C152-C162 WeakPolarHBondContact CA-SG 3.41Å; C152-C162 HydrophobicContact CB-CB 4Å; C152-C162 WeakPolarHBondContact CB-SG 3.2Å; C152-C162 WeakPolarHBondContact SG-CA 3.27Å; C152-C162 WeakPolarHBondContact SG-CB 3.38Å; C152-C162 CovalentContact SG-SG 2.04Å; C152-C162 PolarHBondContact SG-SG 3.11Å; C152-K242 WeakPolarHBondContact O-CE 3.44Å
153F95.3Very high91.5Very high12 Ų1223.4 Ų23.45%0.05312%0.118CC..Hα-helixtrans-59.7-31.4173.4-91.7-86.6000112.9L94 I98 L149 G150 L151 E155 F229 F233 L239 K242 A243 I246L94-F153 HydrophobicContact CD1-CD2 4.27Å; L94-F153 HydrophobicContact CD2-CD2 4.43Å; L94-F153 HydrophobicContact CD2-CE2 4Å; I98-F153 HydrophobicContact CD1-CB 3.82Å; I98-F153 HydrophobicContact CD1-CD1 4.1Å; I98-F153 HydrophobicContact CD1-CD2 4.12Å; I98-F153 HydrophobicContact CD1-CG 3.76Å; I98-F153 HydrophobicContact CG1-CB 3.83Å; I98-F153 HydrophobicContact CG1-CG 4.32Å; L149-F153 HydrophobicContact CD1-CD2 4.38Å; L149-F153 HydrophobicContact CD1-CE2 4.19Å; L149-F153 HydrophobicContact CG-CD2 4.14Å; L149-F153 HydrophobicContact CG-CE2 4.01Å; L149-F153 VanDerWaalsContact O-CD2 3.31Å; L149-F153 WeakPolarHBondContact O-CD2 3.45Å; L149-F153 PolarHBondContact O-N 2.8Å; G150-F153 PolarHBondContact O-N 3.38Å; L151-F153 PolarHBondContact O-N 3.02Å; F153-E155 VanDerWaalsContact C-N 3.34Å; F153-F229 AromaticContact CE2-CE2 3.91Å; F153-F229 HydrophobicContact CE2-CE2 3.91Å; F153-F229 AromaticContact CE2-CZ 3.57Å; F153-F229 HydrophobicContact CE2-CZ 3.57Å; F153-F229 HydrophobicContact CZ-CE1 4.3Å; F153-F229 AromaticContact CZ-CE2 3.97Å; F153-F229 HydrophobicContact CZ-CE2 3.97Å; F153-F229 AromaticContact CZ-CZ 3.46Å; F153-F229 HydrophobicContact CZ-CZ 3.46Å; F153-F229 VanDerWaalsContact CZ-CZ 3.46Å; F153-F233 HydrophobicContact CE1-CD2 4.23Å; F153-F233 HydrophobicContact CE1-CE1 4.38Å; F153-F233 AromaticContact CE1-CE2 3.95Å; F153-F233 HydrophobicContact CE1-CE2 3.95Å; F153-F233 HydrophobicContact CE1-CZ 4.02Å; F153-F233 HydrophobicContact CE2-CE2 4.23Å; F153-F233 HydrophobicContact CE2-CZ 4.24Å; F153-F233 HydrophobicContact CZ-CD2 4.07Å; F153-F233 AromaticContact CZ-CE2 3.47Å; F153-F233 HydrophobicContact CZ-CE2 3.47Å; F153-F233 VanDerWaalsContact CZ-CE2 3.47Å; F153-F233 AromaticContact CZ-CZ 3.73Å; F153-F233 HydrophobicContact CZ-CZ 3.73Å; F153-L239 HydrophobicContact CD1-CD2 4.02Å; F153-K242 HydrophobicContact CD1-CB 3.94Å; F153-K242 HydrophobicContact CD1-CG 3.73Å; F153-K242 HydrophobicContact CE1-CB 4.13Å; F153-K242 HydrophobicContact CE1-CG 4.22Å; F153-K242 HydrophobicContact CG-CG 4.3Å; F153-A243 HydrophobicContact CE1-CB 4.21Å; F153-A243 HydrophobicContact CZ-CB 4.07Å; F153-I246 HydrophobicContact CD1-CD1 4.46Å; F153-I246 HydrophobicContact CD2-CD1 3.79Å; F153-I246 HydrophobicContact CE1-CD1 4.27Å; F153-I246 HydrophobicContact CE2-CD1 3.55Å; F153-I246 HydrophobicContact CG-CD1 4.24Å; F153-I246 HydrophobicContact CZ-CD1 3.82Å
154R91.8Very high91.4Very high58 Ų5826.2 Ų26.222%0.21913%0.133CC..THydrogen-bonded Turntrans-86.9-2.3177.6-66.7177.164.3153.25.5114.1V97 T100 T102 L105 G150 L151 C152 I156V97-R154 PolarHBondContact O-NH1 3.2Å; T100-R154 PolarHBondContact O-NH1 3.25Å; T102-R154 VanDerWaalsContact CG2-NH2 3.33Å; L105-R154 VanDerWaalsContact CD2-NH1 3.28Å; G150-R154 VanDerWaalsContact O-CG 3.32Å; G150-R154 WeakPolarHBondContact O-CG 3.23Å; G150-R154 PolarHBondContact O-N 2.9Å; L151-R154 CarbonylContact O-C 3.42Å; L151-R154 WeakPolarHBondContact O-CA 3.09Å; L151-R154 WeakPolarHBondContact O-CB 3.47Å; L151-R154 PolarHBondContact O-N 3.41Å; L151-R154 VanDerWaalsContact O-N 3.07Å; C152-R154 PolarHBondContact O-N 3.48Å; R154-I156 HydrophobicContact CB-CD1 3.94Å; R154-I156 HydrophobicContact CB-CG1 3.99Å; R154-I156 PolarHBondContact O-N 2.74Å
155E88.3Confident91.3Very high61 Ų6126.2 Ų26.229%0.28513%0.133SC..THydrogen-bonded Turntrans61.228-177.4-39.9-162121.500113.6L151 C152 F153 K242 R348L151-E155 PolarHBondContact O-N 3.27Å; C152-E155 PolarHBondContact O-N 3.26Å; F153-E155 VanDerWaalsContact C-N 3.34Å; E155-K242 IonicContact OE1-NZ 2.92Å; E155-K242 PolarHBondContact OE1-NZ 3.2Å; E155-R348 IonicContact OE1-CZ 2.76Å; E155-R348 IonicContact OE1-NH2 2.8Å; E155-R348 PolarHBondContact OE1-NH2 3.26Å; E155-R348 IonicContact OE2-NH2 2.69Å; E155-R348 PolarHBondContact OE2-NH2 3.05Å
156I86.9Confident91.1Very high49 Ų4927.3 Ų27.325%0.25114%0.14SC..SBendtrans-90119.9176.5-61.2172.7000108.2L105 L151 R154 N161L105-I156 HydrophobicContact CD1-CD1 3.53Å; L151-I156 HydrophobicContact CB-CB 4.39Å; L151-I156 HydrophobicContact CD2-CB 4.4Å; L151-I156 HydrophobicContact CD2-CD1 4.06Å; L151-I156 PolarHBondContact O-N 2.93Å; R154-I156 HydrophobicContact CB-CD1 3.94Å; R154-I156 HydrophobicContact CB-CG1 3.99Å; R154-I156 PolarHBondContact O-N 2.74Å; I156-N161 PolarHBondContact O-ND2 2.98Å
157D84.6Confident90.7Very high63 Ų6329.4 Ų29.434%0.33715%0.148SC..SBendtrans39.962.4-175.3-53.6-49.8000112.8H159 L160 N161D157-H159 PolarHBondContact O-N 2.72Å; D157-H159 VanDerWaalsContact O-N 3.15Å; D157-L160 HydrophobicContact CB-CB 4.31Å; D157-L160 HydrophobicContact CB-CD1 4.04Å; D157-L160 HydrophobicContact CB-CG 4.27Å; D157-L160 PolarHBondContact O-N 2.94Å; D157-N161 PolarHBondContact O-N 2.63Å; D157-N161 PolarHBondContact O-ND2 3.12Å
158P86Confident89.8Confident58 Ų5831.7 Ų31.738%0.37717%0.166SC..Hα-helixtrans-55.5-36.9-174.3-2635.7000112.8L160 N161 C162P158-L160 PolarHBondContact O-N 3.43Å; P158-N161 PolarHBondContact O-N 3.13Å; P158-C162 VanDerWaalsContact O-CB 3.23Å; P158-C162 WeakPolarHBondContact O-CB 3.49Å; P158-C162 PolarHBondContact O-N 3.29Å
159H82.4Confident89.4Confident105 Ų10533 Ų3349%0.48617%0.171SC..Hα-helixtrans-64.9-3.217673.2-81.4000114.7D157 R167D157-H159 PolarHBondContact O-N 2.72Å; D157-H159 VanDerWaalsContact O-N 3.15Å; H159-R167 PolarHBondContact O-NH2 2.88Å
160L85.9Confident89Confident18 Ų1836.3 Ų36.39%0.09419%0.191CC..Hα-helixtrans-118.6-33.1172.2-58.1179.1000112.4P22 F52 R148 D157 P158P22-L160 HydrophobicContact CB-CD1 3.59Å; P22-L160 HydrophobicContact CG-CD1 3.46Å; P22-L160 VanDerWaalsContact CG-CD1 3.46Å; F52-L160 HydrophobicContact CD1-CD2 4.24Å; F52-L160 HydrophobicContact CE1-CD2 3.73Å; R148-L160 PolarHBondContact NH1-O 3.43Å; D157-L160 HydrophobicContact CB-CB 4.31Å; D157-L160 HydrophobicContact CB-CD1 4.04Å; D157-L160 HydrophobicContact CB-CG 4.27Å; D157-L160 PolarHBondContact O-N 2.94Å; P158-L160 PolarHBondContact O-N 3.43Å
161N91.6Very high88.5Confident6 Ų640.4 Ų40.43%0.03221%0.213CC..Hα-helixtrans-105.5-21.7-166.9-67.8-46000113.9R148 L151 C152 I156 D157 P158R148-N161 PolarHBondContact NH1-OD1 3.26Å; L151-N161 HydrophobicContact CB-CB 3.87Å; L151-N161 WeakPolarHBondContact CD1-ND2 3.38Å; C152-N161 HydrophobicContact CB-CB 4.49Å; I156-N161 PolarHBondContact O-ND2 2.98Å; D157-N161 PolarHBondContact O-N 2.63Å; D157-N161 PolarHBondContact O-ND2 3.12Å; P158-N161 PolarHBondContact O-N 3.13Å
162C93Very high88.3Confident19 Ų1947.4 Ų47.413%0.12824%0.243CC..SBendtrans-90.9153.8174-62.40000111.5C152 P158 D164 R167C152-C162 WeakPolarHBondContact CA-SG 3.41Å; C152-C162 HydrophobicContact CB-CB 4Å; C152-C162 WeakPolarHBondContact CB-SG 3.2Å; C152-C162 WeakPolarHBondContact SG-CA 3.27Å; C152-C162 WeakPolarHBondContact SG-CB 3.38Å; C152-C162 CovalentContact SG-SG 2.04Å; C152-C162 PolarHBondContact SG-SG 3.11Å; P158-C162 VanDerWaalsContact O-CB 3.23Å; P158-C162 WeakPolarHBondContact O-CB 3.49Å; P158-C162 PolarHBondContact O-N 3.29Å; C162-D164 PolarHBondContact O-N 3.39Å; C162-R167 PolarHBondContact O-NH1 3.36Å; C162-R167 VanDerWaalsContact O-NH1 3.11Å
163P92.6Very high88.2Confident7 Ų752.1 Ų52.15%0.04526%0.264CS..  trans-56.3131.3169.4-25.736000111.7E54 V78 P80 I246E54-P163 WeakPolarHBondContact OE1-CA 3.33Å; V78-P163 HydrophobicContact CG1-CB 4.13Å; P80-P163 HydrophobicContact CG-CG 4.27Å; P163-I246 HydrophobicContact CG-CG2 4.35Å
164D90.7Very high88Confident60 Ų6051.5 Ų51.532%0.32126%0.261SS..  trans-132.2113.9177.3176.11.6000110.1E54 C162 C166 R167E54-D164 PolarHBondContact OE1-N 3.09Å; C162-D164 PolarHBondContact O-N 3.39Å; D164-C166 VanDerWaalsContact C-N 3.27Å; D164-C166 PolarHBondContact O-N 3.05Å; D164-C166 PolarHBondContact OD1-N 3.44Å; D164-R167 HydrophobicContact CB-CG 4.03Å; D164-R167 WeakPolarHBondContact O-CB 3.42Å; D164-R167 PolarHBondContact O-N 2.98Å; D164-R167 IonicContact OD2-NE 2.95Å
165I89.4Confident88Confident3 Ų355.8 Ų55.82%0.01528%0.282CS..G310 helixtrans-66.3-28.5-176.7-167.673.5000112.6V78 R167 S168 T186 L252 A254V78-I165 HydrophobicContact CB-CD1 4.37Å; V78-I165 HydrophobicContact CG1-CD1 4.34Å; V78-I165 HydrophobicContact CG2-CD1 4.15Å; I165-R167 PolarHBondContact O-N 3.2Å; I165-S168 WeakPolarHBondContact O-CB 3.24Å; I165-S168 PolarHBondContact O-N 3.24Å; I165-S168 VanDerWaalsContact O-N 3.1Å; I165-S168 PolarHBondContact O-OG 3.4Å; I165-T186 HydrophobicContact CG2-CG2 3.48Å; I165-T186 VanDerWaalsContact CG2-CG2 3.48Å; I165-L252 WeakPolarHBondContact CG1-O 3.39Å; I165-L252 HydrophobicContact CG2-CB 3.88Å; I165-A254 HydrophobicContact CB-CB 4.26Å; I165-A254 HydrophobicContact CG1-CB 3.62Å; I165-A254 HydrophobicContact CG2-CB 3.95Å
166C90.2Very high88.2Confident23 Ų2359 Ų5916%0.15530%0.301CS..G310 helixtrans-71.9-13.6-179.7-88.70000113.1D164 S168 K169 T170 C184 T186D164-C166 VanDerWaalsContact C-N 3.27Å; D164-C166 PolarHBondContact O-N 3.05Å; D164-C166 PolarHBondContact OD1-N 3.44Å; C166-S168 PolarHBondContact O-N 3.07Å; C166-K169 CarbonylContact O-C 3.49Å; C166-K169 PolarHBondContact O-N 2.63Å; C166-K169 VanDerWaalsContact O-N 3.13Å; C166-T170 PolarHBondContact O-N 2.92Å; C166-C184 WeakPolarHBondContact CA-SG 3.27Å; C166-C184 HydrophobicContact CB-CB 3.68Å; C166-C184 WeakPolarHBondContact CB-SG 3.48Å; C166-C184 WeakPolarHBondContact SG-CB 3.34Å; C166-C184 CovalentContact SG-SG 2.04Å; C166-C184 PolarHBondContact SG-SG 3.23Å; C166-T186 VanDerWaalsContact SG-CG2 3.55Å
167R87.5Confident88.4Confident48 Ų4857.9 Ų57.918%0.18129%0.294CS..G310 helixtrans-66.2-24.5169.6-63.6-176.9-168.2136.414.1112.8E54 H159 C162 D164 I165E54-R167 IonicContact OE1-CZ 3.48Å; E54-R167 IonicContact OE1-NH1 2.8Å; E54-R167 PolarHBondContact OE1-NH1 3.5Å; E54-R167 WeakPolarHBondContact OE2-CD 3.32Å; E54-R167 IonicContact OE2-CZ 2.57Å; E54-R167 IonicContact OE2-NE 3.46Å; E54-R167 IonicContact OE2-NH1 2.91Å; E54-R167 PolarHBondContact OE2-NH1 3.12Å; H159-R167 PolarHBondContact O-NH2 2.88Å; C162-R167 PolarHBondContact O-NH1 3.36Å; C162-R167 VanDerWaalsContact O-NH1 3.11Å; D164-R167 HydrophobicContact CB-CG 4.03Å; D164-R167 WeakPolarHBondContact O-CB 3.42Å; D164-R167 PolarHBondContact O-N 2.98Å; D164-R167 IonicContact OD2-NE 2.95Å; I165-R167 PolarHBondContact O-N 3.2Å
168S76.7Confident88.7Confident58 Ų5858.9 Ų58.941%0.40630%0.304SS..THydrogen-bonded Turntrans-74.9-27.417372.60000113I165 C166I165-S168 WeakPolarHBondContact O-CB 3.24Å; I165-S168 PolarHBondContact O-N 3.24Å; I165-S168 VanDerWaalsContact O-N 3.1Å; I165-S168 PolarHBondContact O-OG 3.4Å; C166-S168 PolarHBondContact O-N 3.07Å
169K85Confident88.8Confident31 Ų3160.9 Ų60.914%0.13531%0.305CS..SBendtrans-122.770.4179.7-74.4-179.7-179.8-84.40110.3C166 F173 C184 A254 D269C166-K169 CarbonylContact O-C 3.49Å; C166-K169 PolarHBondContact O-N 2.63Å; C166-K169 VanDerWaalsContact O-N 3.13Å; K169-F173 HydrophobicContact CB-CD1 4.24Å; K169-F173 HydrophobicContact CG-CD1 4.24Å; K169-F173 HydrophobicContact CG-CE1 4.2Å; K169-C184 VanDerWaalsContact O-CB 3.25Å; K169-C184 WeakPolarHBondContact O-CB 3.47Å; K169-A254 HydrophobicContact CB-CB 4.35Å; K169-A254 HydrophobicContact CD-CB 3.81Å; K169-A254 WeakPolarHBondContact CD-O 3.35Å; K169-A254 WeakPolarHBondContact CE-O 3.39Å; K169-A254 HydrophobicContact CG-CB 4.38Å; K169-D269 IonicContact NZ-OD1 2.84Å; K169-D269 IonicContact NZ-OD2 2.63Å; K169-D269 PolarHBondContact NZ-OD2 3.19Å
170T86.2Confident89.1Confident71 Ų7156.4 Ų56.444%0.43629%0.285SS..  trans-55.1156.8-17965.40000113C166 K172 F173 C174C166-T170 PolarHBondContact O-N 2.92Å; T170-K172 PolarHBondContact O-N 3.32Å; T170-K172 VanDerWaalsContact O-N 3.15Å; T170-F173 WeakPolarHBondContact O-CA 3.43Å; T170-F173 VanDerWaalsContact O-CB 3.23Å; T170-F173 WeakPolarHBondContact O-CB 3.21Å; T170-F173 PolarHBondContact O-N 3.44Å; T170-F173 PolarHBondContact OG1-N 2.04Å; T170-C174 PolarHBondContact O-N 3.07Å
171D86.5Confident89.2Confident86 Ų8658 Ų5846%0.4630%0.295SS..Hα-helixtrans-56.9-34.7175.7-59.9-25.5000112.5F173 C174 K175 F183 C184D171-F173 VanDerWaalsContact C-N 3.3Å; D171-F173 PolarHBondContact O-N 2.8Å; D171-C174 PolarHBondContact O-N 2.8Å; D171-K175 WeakPolarHBondContact O-CG 3.43Å; D171-K175 PolarHBondContact O-N 3.19Å; D171-F183 WeakPolarHBondContact OD1-CA 3.3Å; D171-C184 PolarHBondContact OD1-N 2.87Å; D171-C184 VanDerWaalsContact OD1-N 3.11Å
172K89.3Confident89.1Confident158 Ų15857.9 Ų57.969%0.68730%0.295SS*.Hα-helixtrans-61.8-38.9173.8-174.9178.4-179.9179.80111.9T170 N176T170-K172 PolarHBondContact O-N 3.32Å; T170-K172 VanDerWaalsContact O-N 3.15Å; K172-N176 PolarHBondContact O-N 2.89Å; K172-N176 PolarHBondContact O-ND2 2.95Å
173F91.4Very high88.9Confident100 Ų10058 Ų5844%0.43929%0.294SS..Hα-helixtrans-63.3-47.3174.1171.9-90.3000110.3K169 T170 D171 N176K169-F173 HydrophobicContact CB-CD1 4.24Å; K169-F173 HydrophobicContact CG-CD1 4.24Å; K169-F173 HydrophobicContact CG-CE1 4.2Å; T170-F173 WeakPolarHBondContact O-CA 3.43Å; T170-F173 VanDerWaalsContact O-CB 3.23Å; T170-F173 WeakPolarHBondContact O-CB 3.21Å; T170-F173 PolarHBondContact O-N 3.44Å; T170-F173 PolarHBondContact OG1-N 2.04Å; D171-F173 VanDerWaalsContact C-N 3.3Å; D171-F173 PolarHBondContact O-N 2.8Å; F173-N176 PolarHBondContact O-N 2.86Å
174C92.6Very high88.8Confident0 Ų058.1 Ų58.10%030%0.295CS..Hα-helixtrans-64-43.3179-680000112.1T170 D171 N176 K177 T180 F183 C256T170-C174 PolarHBondContact O-N 3.07Å; D171-C174 PolarHBondContact O-N 2.8Å; C174-N176 PolarHBondContact O-N 2.61Å; C174-K177 WeakPolarHBondContact O-CB 3.35Å; C174-K177 PolarHBondContact O-N 3Å; C174-T180 PolarHBondContact O-OG1 3.12Å; C174-F183 WeakPolarHBondContact CB-O 3.3Å; C174-F183 PolarHBondContact SG-O 2.82Å; C174-C256 WeakPolarHBondContact CA-SG 3.49Å; C174-C256 HydrophobicContact CB-CB 3.7Å; C174-C256 WeakPolarHBondContact CB-SG 3.5Å; C174-C256 WeakPolarHBondContact SG-CB 3.28Å; C174-C256 CovalentContact SG-SG 2.05Å; C174-C256 PolarHBondContact SG-SG 3.12Å
175K91.7Very high88.7Confident148 Ų14855.3 Ų55.364%0.64328%0.279SS*.Hα-helixtrans-56-27.8177.8-74.9175.6-176.2-179.50114.5D171 K177 G182D171-K175 WeakPolarHBondContact O-CG 3.43Å; D171-K175 PolarHBondContact O-N 3.19Å; K175-K177 VanDerWaalsContact C-N 3.34Å; K175-G182 VanDerWaalsContact CE-O 3.31Å; K175-G182 WeakPolarHBondContact CE-O 3.36Å; K175-G182 VanDerWaalsContact CG-O 3.27Å; K175-G182 WeakPolarHBondContact CG-O 3.39Å
176N92Very high88.6Confident128 Ų12856.2 Ų56.268%0.68429%0.285SS*.THydrogen-bonded Turntrans-87.5-5.5-179.6-66.8-18.9000113.1K172 F173 C174K172-N176 PolarHBondContact O-N 2.89Å; K172-N176 PolarHBondContact O-ND2 2.95Å; F173-N176 PolarHBondContact O-N 2.86Å; C174-N176 PolarHBondContact O-N 2.61Å
177K90.5Very high88.3Confident26 Ų2657.6 Ų57.611%0.11329%0.288CS..SBendtrans-93.6131-177.7-168.7177.5171.8-162.50109.5C174 K175 T180 C256 D269C174-K177 WeakPolarHBondContact O-CB 3.35Å; C174-K177 PolarHBondContact O-N 3Å; K175-K177 VanDerWaalsContact C-N 3.34Å; K177-T180 HydrophobicContact CB-CG2 3.82Å; K177-T180 HydrophobicContact CD-CG2 3.87Å; K177-T180 HydrophobicContact CG-CG2 3.83Å; K177-T180 PolarHBondContact O-OG1 3.11Å; K177-C256 HydrophobicContact CD-CB 4.3Å; K177-D269 WeakPolarHBondContact CE-O 3.47Å; K177-D269 PolarHBondContact NZ-O 2.88Å; K177-D269 IonicContact NZ-OD1 2.95Å; K177-D269 PolarHBondContact NZ-OD1 3.44Å
178P90.7Very high88.1Confident84 Ų8456.5 Ų56.555%0.54529%0.285SS..THydrogen-bonded Turntrans-62.2142.7-175.526.1-35.1000111.4T180P178-T180 PolarHBondContact O-N 3.41Å
179Y88.3Confident88.4Confident100 Ų10056.7 Ų56.739%0.39228%0.281SS..THydrogen-bonded Turntrans62.422.4174-40.3-54.7000115.2C258 E259 Y262Y179-C258 WeakPolarHBondContact O-CA 3.04Å; Y179-E259 PolarHBondContact O-N 3.06Å; Y179-Y262 HydrophobicContact CD1-CD1 4Å; Y179-Y262 HydrophobicContact CD1-CD2 4.46Å; Y179-Y262 AromaticContact CD1-CE1 3.26Å; Y179-Y262 HydrophobicContact CD1-CE1 3.26Å; Y179-Y262 AromaticContact CD1-CE2 3.78Å; Y179-Y262 HydrophobicContact CD1-CE2 3.78Å; Y179-Y262 AromaticContact CD1-CZ 3.12Å; Y179-Y262 WeakPolarHBondContact CD1-OH 3.01Å; Y179-Y262 AromaticContact CD2-CD1 3.83Å; Y179-Y262 HydrophobicContact CD2-CD1 3.83Å; Y179-Y262 AromaticContact CD2-CE1 3.74Å; Y179-Y262 HydrophobicContact CD2-CE1 3.74Å; Y179-Y262 AromaticContact CE1-CE1 3.63Å; Y179-Y262 HydrophobicContact CE1-CE1 3.63Å; Y179-Y262 AromaticContact CE1-CZ 3.64Å; Y179-Y262 VanDerWaalsContact CE1-OH 3.28Å; Y179-Y262 WeakPolarHBondContact CE1-OH 3.33Å; Y179-Y262 HydrophobicContact CE2-CD1 4.49Å; Y179-Y262 HydrophobicContact CE2-CE1 4.08Å; Y179-Y262 AromaticContact CG-CD1 3.53Å; Y179-Y262 HydrophobicContact CG-CD1 3.53Å; Y179-Y262 HydrophobicContact CG-CD2 4.27Å; Y179-Y262 AromaticContact CG-CE1 3.29Å; Y179-Y262 HydrophobicContact CG-CE1 3.29Å; Y179-Y262 HydrophobicContact CG-CE2 4.04Å; Y179-Y262 HydrophobicContact CG-CG 4.02Å; Y179-Y262 AromaticContact CG-CZ 3.56Å
180T89.9Confident88.2Confident11 Ų1158.7 Ų58.77%0.06729%0.293CS..BIsolated β-bridgetrans-105.8155.4174.669.60000110.3C174 K177 P178 G182 C256 P257C174-T180 PolarHBondContact O-OG1 3.12Å; K177-T180 HydrophobicContact CB-CG2 3.82Å; K177-T180 HydrophobicContact CD-CG2 3.87Å; K177-T180 HydrophobicContact CG-CG2 3.83Å; K177-T180 PolarHBondContact O-OG1 3.11Å; P178-T180 PolarHBondContact O-N 3.41Å; T180-G182 PolarHBondContact O-N 3.06Å; T180-C256 HydrophobicContact CG2-CB 3.74Å; T180-P257 VanDerWaalsContact CA-O 3.28Å; T180-P257 WeakPolarHBondContact CA-O 3.26Å; T180-P257 WeakPolarHBondContact CB-O 3.46Å
181V86.9Confident88Confident50 Ų5060.7 Ų60.730%0.30330%0.301SS..  trans-73.2-21.6178.5-164.40000112F183 P257 C258V181-F183 HydrophobicContact CB-CD1 3.89Å; V181-F183 HydrophobicContact CB-CE1 3.69Å; V181-F183 HydrophobicContact CG1-CD1 3.94Å; V181-F183 HydrophobicContact CG1-CE1 3.73Å; V181-F183 HydrophobicContact CG2-CE1 4.23Å; V181-P257 HydrophobicContact CG2-CB 4.15Å; V181-P257 WeakPolarHBondContact CG2-O 3.28Å; V181-P257 PolarHBondContact N-O 3.17Å; V181-C258 WeakPolarHBondContact CG2-O 3.49Å
182G88.9Confident87.7Confident4 Ų456.8 Ų56.84%0.04128%0.28CS..SBendtrans94.631.3175.200000115.8K175 T180K175-G182 VanDerWaalsContact CE-O 3.31Å; K175-G182 WeakPolarHBondContact CE-O 3.36Å; K175-G182 VanDerWaalsContact CG-O 3.27Å; K175-G182 WeakPolarHBondContact CG-O 3.39Å; T180-G182 PolarHBondContact O-N 3.06Å
183F89.6Confident87.2Confident22 Ų2255 Ų5510%0.09627%0.269CS..SBendtrans-143.4168.3169.670.1-91.4000110.5D171 C174 V181 P257 A287 Q317 E319D171-F183 WeakPolarHBondContact OD1-CA 3.3Å; C174-F183 WeakPolarHBondContact CB-O 3.3Å; C174-F183 PolarHBondContact SG-O 2.82Å; V181-F183 HydrophobicContact CB-CD1 3.89Å; V181-F183 HydrophobicContact CB-CE1 3.69Å; V181-F183 HydrophobicContact CG1-CD1 3.94Å; V181-F183 HydrophobicContact CG1-CE1 3.73Å; V181-F183 HydrophobicContact CG2-CE1 4.23Å; F183-P257 HydrophobicContact CD2-CG 4.43Å; F183-P257 HydrophobicContact CE1-CB 4.36Å; F183-P257 HydrophobicContact CE1-CG 4.45Å; F183-P257 HydrophobicContact CE2-CB 4.48Å; F183-P257 HydrophobicContact CE2-CG 3.75Å; F183-P257 HydrophobicContact CZ-CB 3.98Å; F183-P257 HydrophobicContact CZ-CG 3.74Å; F183-P257 VanDerWaalsContact O-CD 3.26Å; F183-P257 WeakPolarHBondContact O-CD 3.24Å; F183-A287 HydrophobicContact CD2-CB 4.49Å; F183-A287 HydrophobicContact CE2-CB 3.31Å; F183-A287 HydrophobicContact CZ-CB 3.74Å; F183-Q317 HydrophobicContact CE1-CB 4.04Å; F183-Q317 HydrophobicContact CZ-CB 3.81Å; F183-E319 HydrophobicContact CD1-CB 3.95Å; F183-E319 HydrophobicContact CD2-CB 3.46Å; F183-E319 VanDerWaalsContact CD2-CB 3.46Å; F183-E319 HydrophobicContact CE1-CB 3.77Å; F183-E319 HydrophobicContact CE2-CB 3.24Å; F183-E319 HydrophobicContact CG-CB 3.82Å; F183-E319 HydrophobicContact CZ-CB 3.43Å; F183-E319 VanDerWaalsContact CZ-CB 3.43Å
184C90.5Very high86.5Confident10 Ų1055.5 Ų55.57%0.06828%0.276CS..  trans-91.1134.5178.2-171.40000113.2C166 K169 D171C166-C184 WeakPolarHBondContact CA-SG 3.27Å; C166-C184 HydrophobicContact CB-CB 3.68Å; C166-C184 WeakPolarHBondContact CB-SG 3.48Å; C166-C184 WeakPolarHBondContact SG-CB 3.34Å; C166-C184 CovalentContact SG-SG 2.04Å; C166-C184 PolarHBondContact SG-SG 3.23Å; K169-C184 VanDerWaalsContact O-CB 3.25Å; K169-C184 WeakPolarHBondContact O-CB 3.47Å; D171-C184 PolarHBondContact OD1-N 2.87Å; D171-C184 VanDerWaalsContact OD1-N 3.11Å
185G87.9Confident85.9Confident0 Ų056.3 Ų56.30%028%0.283CS..EExtended strand (participates in β ladder)trans-117.4159.8168.900000111.5A254 Y255G185-A254 WeakPolarHBondContact O-CA 3.42Å; G185-Y255 VanDerWaalsContact C-CE1 3.48Å; G185-Y255 PolarHBondContact N-O 3.36Å; G185-Y255 WeakPolarHBondContact O-CD1 3.32Å; G185-Y255 PolarHBondContact O-N 3.35Å
186T87.9Confident85.1Confident23 Ų2358 Ų5814%0.14129%0.29CS..EExtended strand (participates in β ladder)trans-122.3147.8172.362.70000112I165 C166 I253 N288I165-T186 HydrophobicContact CG2-CG2 3.48Å; I165-T186 VanDerWaalsContact CG2-CG2 3.48Å; C166-T186 VanDerWaalsContact SG-CG2 3.55Å; T186-I253 WeakPolarHBondContact CA-O 3.2Å; T186-N288 PolarHBondContact OG1-OD1 3.22Å
187Y83.8Confident84.5Confident51 Ų5153.4 Ų53.420%0.227%0.265CS..EExtended strand (participates in β ladder)trans-137.8162.4166.370-85.3000110.5I253 Y255 Y264Y187-I253 HydrophobicContact CD1-CB 4.2Å; Y187-I253 HydrophobicContact CD1-CG2 4.41Å; Y187-I253 HydrophobicContact CD2-CB 4.48Å; Y187-I253 HydrophobicContact CD2-CD1 4.45Å; Y187-I253 HydrophobicContact CE1-CB 3.78Å; Y187-I253 HydrophobicContact CE1-CG2 3.58Å; Y187-I253 HydrophobicContact CE2-CB 4.08Å; Y187-I253 HydrophobicContact CE2-CD1 3.66Å; Y187-I253 HydrophobicContact CE2-CG1 4.43Å; Y187-I253 HydrophobicContact CE2-CG2 4.41Å; Y187-I253 PolarHBondContact N-O 2.93Å; Y187-I253 PolarHBondContact O-N 3.4Å; Y187-I253 WeakPolarHBondContact OH-CG2 3.43Å; Y187-Y255 AromaticContact CD1-CD1 3.46Å; Y187-Y255 HydrophobicContact CD1-CD1 3.46Å; Y187-Y255 VanDerWaalsContact CD1-CD1 3.46Å; Y187-Y255 AromaticContact CD1-CE1 3.73Å; Y187-Y255 HydrophobicContact CD1-CE1 3.73Å; Y187-Y255 HydrophobicContact CD1-CG 4.15Å; Y187-Y255 AromaticContact CE1-CD1 3.91Å; Y187-Y255 HydrophobicContact CE1-CD1 3.91Å; Y187-Y255 HydrophobicContact CE1-CG 4.18Å; Y187-Y264 HydrophobicContact CE1-CE1 4.26Å
188M83.9Confident83.7Confident26 Ų2658 Ų5813%0.12829%0.291CS..  trans-108.9140.7178.7-166.5169.7177.200109.8D190 L192 R193 R248 L252M188-D190 PolarHBondContact O-N 2.96Å; M188-L192 VanDerWaalsContact CE-C 3.48Å; M188-L192 HydrophobicContact CE-CB 3.88Å; M188-L192 HydrophobicContact CE-CD2 3.74Å; M188-L192 HydrophobicContact CE-CG 3.49Å; M188-L192 VanDerWaalsContact CE-CG 3.49Å; M188-L192 WeakPolarHBondContact CE-O 3.41Å; M188-R193 HydrophobicContact CE-CB 4.45Å; M188-R193 HydrophobicContact CG-CB 4.22Å; M188-R193 HydrophobicContact SD-CB 4.08Å; M188-R193 HydrophobicContact SD-CG 4.41Å; M188-R248 HydrophobicContact CE-CB 4.5Å; M188-R248 HydrophobicContact CE-CG 4.13Å; M188-L252 HydrophobicContact CB-CD2 3.89Å; M188-L252 HydrophobicContact CG-CD2 4.27Å
189N82.9Confident83Confident62 Ų6256.2 Ų56.233%0.33227%0.274SS..  trans-62.8131.1171.8-175.5-27.1000109.7L191 L192 R193N189-L191 PolarHBondContact O-N 3.02Å; N189-L191 PolarHBondContact OD1-N 3.43Å; N189-L191 VanDerWaalsContact OD1-N 3.07Å; N189-L192 PolarHBondContact O-N 3.39Å; N189-R193 PolarHBondContact O-N 3.28Å
190D80.3Confident82Confident72 Ų7253.2 Ų53.239%0.38527%0.266SS..Hα-helixtrans-52.7-41.1-178.5-58.3-52.2000112M188 L192 R193 D194M188-D190 PolarHBondContact O-N 2.96Å; D190-L192 VanDerWaalsContact C-N 3.29Å; D190-L192 PolarHBondContact O-N 3.39Å; D190-R193 PolarHBondContact O-N 3.01Å; D190-R193 IonicContact OD1-CZ 3.24Å; D190-R193 IonicContact OD1-NH1 2.61Å; D190-R193 PolarHBondContact OD1-NH1 3.24Å; D190-R193 IonicContact OD1-NH2 3.09Å; D190-R193 PolarHBondContact OD1-NH2 3.06Å; D190-D194 PolarHBondContact O-N 3.48Å; D190-D194 VanDerWaalsContact O-N 3.12Å
191L81.7Confident80.9Confident114 Ų11458.5 Ų58.560%0.59729%0.29SS*.Hα-helixtrans-60.2-37.2178.7-67.7175.9000112.9N189 A195N189-L191 PolarHBondContact O-N 3.02Å; N189-L191 PolarHBondContact OD1-N 3.43Å; N189-L191 VanDerWaalsContact OD1-N 3.07Å; L191-A195 WeakPolarHBondContact O-CB 3.41Å
192L82.1Confident79.6Confident3 Ų362.8 Ų62.82%0.01631%0.307CS..Hα-helixtrans-84-31.7179.3-170.267.1000111.5M188 N189 D190 A195 W215 H218 V219M188-L192 VanDerWaalsContact CE-C 3.48Å; M188-L192 HydrophobicContact CE-CB 3.88Å; M188-L192 HydrophobicContact CE-CD2 3.74Å; M188-L192 HydrophobicContact CE-CG 3.49Å; M188-L192 VanDerWaalsContact CE-CG 3.49Å; M188-L192 WeakPolarHBondContact CE-O 3.41Å; N189-L192 PolarHBondContact O-N 3.39Å; D190-L192 VanDerWaalsContact C-N 3.29Å; D190-L192 PolarHBondContact O-N 3.39Å; L192-A195 PolarHBondContact O-N 2.96Å; L192-W215 HydrophobicContact CD1-CZ2 3.83Å; L192-H218 HydrophobicContact CD1-CB 4.26Å; L192-V219 HydrophobicContact CD1-CG2 3.72Å; L192-V219 HydrophobicContact CD2-CG2 4.37Å
193R77.4Confident78Confident120 Ų12072.7 Ų72.745%0.45335%0.348SS..Hα-helixtrans-62-46179.6-174.8-179.465.8-137.4-8.3110.8M188 N189 D190 A195M188-R193 HydrophobicContact CE-CB 4.45Å; M188-R193 HydrophobicContact CG-CB 4.22Å; M188-R193 HydrophobicContact SD-CB 4.08Å; M188-R193 HydrophobicContact SD-CG 4.41Å; N189-R193 PolarHBondContact O-N 3.28Å; D190-R193 PolarHBondContact O-N 3.01Å; D190-R193 IonicContact OD1-CZ 3.24Å; D190-R193 IonicContact OD1-NH1 2.61Å; D190-R193 PolarHBondContact OD1-NH1 3.24Å; D190-R193 IonicContact OD1-NH2 3.09Å; D190-R193 PolarHBondContact OD1-NH2 3.06Å; R193-A195 VanDerWaalsContact C-N 3.32Å
194D77.4Confident77.3Confident112 Ų11276.8 Ų76.860%0.59937%0.366SS*.SBendtrans-82.4-15.6-176.1-59.1-18.8000112.2D190 K196D190-D194 PolarHBondContact O-N 3.48Å; D190-D194 VanDerWaalsContact O-N 3.12Å; D194-K196 PolarHBondContact O-N 2.02Å
195A79.1Confident76.6Confident17 Ų1779.8 Ų79.814%0.1438%0.384CS..  trans-71.1109177.900000112.2L191 L192 R193 W215 R248L191-A195 WeakPolarHBondContact O-CB 3.41Å; L192-A195 PolarHBondContact O-N 2.96Å; R193-A195 VanDerWaalsContact C-N 3.32Å; A195-W215 PolarHBondContact O-NE1 2.91Å; A195-R248 PolarHBondContact O-NH2 3.28Å
196K76.7Confident76.3Confident182 Ų18289 Ų8979%0.79142%0.424SS*.  trans-94134.9175.7-64.9-179.6-177.9177.70111D194D194-K196 PolarHBondContact O-N 2.02Å
197I78.4Confident76.2Confident32 Ų3290.9 Ų90.916%0.16443%0.431CS..  trans-113.4111.1171.3-170.9166.7000110L212 W215 F240 I244I197-L212 HydrophobicContact CD1-CB 4.13Å; I197-L212 HydrophobicContact CD1-CD1 3.61Å; I197-L212 HydrophobicContact CD1-CG 4.47Å; I197-W215 HydrophobicContact CB-CG 4.38Å; I197-W215 HydrophobicContact CD1-CB 4.36Å; I197-W215 HydrophobicContact CD1-CD2 4.49Å; I197-W215 HydrophobicContact CD1-CG 4.4Å; I197-F240 HydrophobicContact CD1-CE1 4.42Å; I197-F240 HydrophobicContact CD1-CZ 4.18Å; I197-I244 HydrophobicContact CD1-CD1 3.87Å; I197-I244 HydrophobicContact CG2-CD1 4.14Å; I197-I244 HydrophobicContact CG2-CG1 4.04Å; I197-I244 HydrophobicContact CG2-CG2 3.76Å
198N73.8Confident76.2Confident122 Ų12288.6 Ų88.665%0.65242%0.423SS*.  trans-87114.9178.4-70.7-16000109.8T200N198-T200 PolarHBondContact O-N 2.74Å
199Y75.3Confident76.4Confident48 Ų4892.5 Ų92.519%0.18844%0.439CS..  trans-63.4125.9169.1177.1-90.4000109.6E201 L208 T234 K237 F240Y199-E201 HydrophobicContact CE1-CG 4.38Å; Y199-L208 HydrophobicContact CD2-CD2 4.47Å; Y199-T234 PolarHBondContact OH-O 3.4Å; Y199-T234 VanDerWaalsContact OH-O 3.05Å; Y199-K237 HydrophobicContact CD1-CB 4.07Å; Y199-K237 HydrophobicContact CD1-CD 3.68Å; Y199-K237 HydrophobicContact CD1-CG 3.61Å; Y199-K237 HydrophobicContact CD2-CB 4.44Å; Y199-K237 HydrophobicContact CD2-CG 4.25Å; Y199-K237 HydrophobicContact CE1-CB 3.66Å; Y199-K237 HydrophobicContact CE1-CD 3.88Å; Y199-K237 HydrophobicContact CE1-CG 3.75Å; Y199-K237 HydrophobicContact CE2-CB 4.05Å; Y199-K237 HydrophobicContact CE2-CG 4.35Å; Y199-K237 HydrophobicContact CG-CB 4.43Å; Y199-K237 HydrophobicContact CG-CD 4.34Å; Y199-K237 HydrophobicContact CG-CG 3.86Å; Y199-F240 HydrophobicContact CD2-CB 4.28Å; Y199-F240 AromaticContact CD2-CD1 3.64Å; Y199-F240 HydrophobicContact CD2-CD1 3.64Å; Y199-F240 HydrophobicContact CD2-CE1 4.2Å; Y199-F240 HydrophobicContact CD2-CG 4.03Å; Y199-F240 HydrophobicContact CE2-CB 4.31Å; Y199-F240 HydrophobicContact CE2-CD1 4.41Å; Y199-F240 HydrophobicContact CE2-CG 4.36Å
200T68.8Low76.6Confident36 Ų3697.1 Ų97.122%0.22145%0.452CS..  trans-110.1138.9173.4420000108.8N198N198-T200 PolarHBondContact O-N 2.74Å
201E65.9Low77Confident123 Ų12395.8 Ų95.858%0.57544%0.444SS*.  trans-63.2163.3178-67-163.3171.200112.4Y199 K203 K204Y199-E201 HydrophobicContact CE1-CG 4.38Å; E201-K203 PolarHBondContact O-N 2.96Å; E201-K204 PolarHBondContact O-N 3.39Å; E201-K204 VanDerWaalsContact O-N 3.13Å
202E59.6Low77.4Confident139 Ų13990.3 Ų90.365%0.6542%0.416SS*.G310 helixtrans-43-30.3-167.4-70.3-177.9151.600116.2K204 V205E202-K204 PolarHBondContact O-N 2.87Å; E202-V205 PolarHBondContact O-N 3.32Å
203K55.7Low77.8Confident212 Ų21296.8 Ų96.892%0.92244%0.444SS*.G310 helixtrans-60.7-7.5-179.4-75.7-172.8176.2-179.40113.9E201E201-K203 PolarHBondContact O-N 2.96Å
204K73.6Confident78.4Confident109 Ų10995.8 Ų95.847%0.47445%0.447SS..G310 helixtrans-13640.4-179.4-51.3-160-174.9177.90115.7E201 E202 K206 E207 L208E201-K204 PolarHBondContact O-N 3.39Å; E201-K204 VanDerWaalsContact O-N 3.13Å; E202-K204 PolarHBondContact O-N 2.87Å; K204-K206 PolarHBondContact O-N 3.28Å; K204-E207 HydrophobicContact CB-CB 3.87Å; K204-E207 HydrophobicContact CD-CB 4.38Å; K204-E207 WeakPolarHBondContact CD-OE2 3.46Å; K204-E207 IonicContact NZ-OE2 2.7Å; K204-E207 PolarHBondContact NZ-OE2 3.26Å; K204-E207 WeakPolarHBondContact O-CA 3.45Å; K204-E207 WeakPolarHBondContact O-CB 3.34Å; K204-E207 PolarHBondContact O-N 3.13Å; K204-L208 PolarHBondContact O-N 3.26Å
205V76.3Confident79Confident73 Ų7390.8 Ų90.844%0.44242%0.42SS..Hα-helixtrans-49.1-37.2174.1177.50000112.8E202 L208 K209E202-V205 PolarHBondContact O-N 3.32Å; V205-L208 PolarHBondContact O-N 3.41Å; V205-K209 WeakPolarHBondContact O-CB 3.46Å; V205-K209 PolarHBondContact O-N 2.98Å
206K83Confident79.6Confident192 Ų19290.4 Ų90.484%0.83542%0.416SS*.Hα-helixtrans-63.2-41.9175.2-72.9-174.7179.7178.90113K204 R210K204-K206 PolarHBondContact O-N 3.28Å; K206-R210 PolarHBondContact O-N 3.42Å; K206-R210 VanDerWaalsContact O-N 3.15Å
207E83.8Confident80.2Confident63 Ų6387 Ų8729%0.29441%0.406SS..Hα-helixtrans-68.8-44.6177.6-166.1179.5158.200110.4K204 K209 R210 N211K204-E207 HydrophobicContact CB-CB 3.87Å; K204-E207 HydrophobicContact CD-CB 4.38Å; K204-E207 WeakPolarHBondContact CD-OE2 3.46Å; K204-E207 IonicContact NZ-OE2 2.7Å; K204-E207 PolarHBondContact NZ-OE2 3.26Å; K204-E207 WeakPolarHBondContact O-CA 3.45Å; K204-E207 WeakPolarHBondContact O-CB 3.34Å; K204-E207 PolarHBondContact O-N 3.13Å; E207-K209 VanDerWaalsContact C-N 3.34Å; E207-K209 PolarHBondContact O-N 3.2Å; E207-R210 WeakPolarHBondContact O-CB 3.35Å; E207-R210 PolarHBondContact O-N 3.46Å; E207-R210 VanDerWaalsContact O-N 3.11Å; E207-N211 VanDerWaalsContact O-CG 3.26Å; E207-N211 PolarHBondContact O-N 3.42Å; E207-N211 PolarHBondContact O-OD1 3.12Å
208L84.3Confident80.8Confident3 Ų389 Ų892%0.01641%0.414CS..Hα-helixtrans-58.9-44.9176.2-176.959.3000111.7Y199 K204 V205 R210 N211 L212 T234 F240Y199-L208 HydrophobicContact CD2-CD2 4.47Å; K204-L208 PolarHBondContact O-N 3.26Å; V205-L208 PolarHBondContact O-N 3.41Å; L208-R210 VanDerWaalsContact C-N 3.29Å; L208-R210 PolarHBondContact O-N 2.98Å; L208-N211 PolarHBondContact O-N 3.47Å; L208-L212 VanDerWaalsContact O-CB 3.23Å; L208-L212 WeakPolarHBondContact O-CB 3.15Å; L208-L212 PolarHBondContact O-N 3.2Å; L208-T234 HydrophobicContact CD2-CG2 3.8Å; L208-F240 HydrophobicContact CD1-CE1 4.26Å; L208-F240 HydrophobicContact CD1-CZ 3.9Å; L208-F240 HydrophobicContact CD2-CE2 4.33Å; L208-F240 HydrophobicContact CD2-CZ 4.33Å; L208-F240 HydrophobicContact CG-CZ 4.35Å
209K88.1Confident81.7Confident109 Ų10983.3 Ų83.347%0.47438%0.384SS..Hα-helixtrans-60.5-38.5176.2-175.3174.2-178.9175.80112V205 E207 K213 M227 L231V205-K209 WeakPolarHBondContact O-CB 3.46Å; V205-K209 PolarHBondContact O-N 2.98Å; E207-K209 VanDerWaalsContact C-N 3.34Å; E207-K209 PolarHBondContact O-N 3.2Å; K209-K213 WeakPolarHBondContact O-CB 3.49Å; K209-K213 PolarHBondContact O-N 3.06Å; K209-M227 HydrophobicContact CG-SD 4.42Å; K209-L231 HydrophobicContact CB-CD2 4.25Å; K209-L231 HydrophobicContact CD-CD1 4.17Å; K209-L231 HydrophobicContact CG-CD1 4.5Å; K209-L231 HydrophobicContact CG-CD2 4.25Å
210R88.2Confident82.4Confident159 Ų15983.3 Ų83.360%0.639%0.39SS*.Hα-helixtrans-67.3-48.7176.4-174.717964.891.23.7111.3K206 E207 L208 L212 K213 D214K206-R210 PolarHBondContact O-N 3.42Å; K206-R210 VanDerWaalsContact O-N 3.15Å; E207-R210 WeakPolarHBondContact O-CB 3.35Å; E207-R210 PolarHBondContact O-N 3.46Å; E207-R210 VanDerWaalsContact O-N 3.11Å; L208-R210 VanDerWaalsContact C-N 3.29Å; L208-R210 PolarHBondContact O-N 2.98Å; R210-L212 VanDerWaalsContact C-N 3.32Å; R210-L212 PolarHBondContact O-N 3.3Å; R210-K213 PolarHBondContact O-N 2.79Å; R210-D214 PolarHBondContact O-N 3.06Å
211N87.1Confident83.5Confident43 Ų4385.3 Ų85.323%0.2340%0.402CS..Hα-helixtrans-62.8-40179.2-64.2-7.2000111.4E207 L208 D214 W215E207-N211 VanDerWaalsContact O-CG 3.26Å; E207-N211 PolarHBondContact O-N 3.42Å; E207-N211 PolarHBondContact O-OD1 3.12Å; L208-N211 PolarHBondContact O-N 3.47Å; N211-D214 PolarHBondContact O-N 3.22Å; N211-W215 WeakPolarHBondContact O-CB 3.23Å; N211-W215 PolarHBondContact O-N 2.85Å
212L90.4Very high84.8Confident0 Ų083.8 Ų83.80%039%0.394CS..Hα-helixtrans-66.4-39.8175.9178.862.6000112I197 L208 R210 D214 W215 L216 M227 F230 F240 I244I197-L212 HydrophobicContact CD1-CB 4.13Å; I197-L212 HydrophobicContact CD1-CD1 3.61Å; I197-L212 HydrophobicContact CD1-CG 4.47Å; L208-L212 VanDerWaalsContact O-CB 3.23Å; L208-L212 WeakPolarHBondContact O-CB 3.15Å; L208-L212 PolarHBondContact O-N 3.2Å; R210-L212 VanDerWaalsContact C-N 3.32Å; R210-L212 PolarHBondContact O-N 3.3Å; L212-D214 VanDerWaalsContact C-N 3.33Å; L212-W215 HydrophobicContact CD1-CE3 4.01Å; L212-W215 PolarHBondContact O-N 2.94Å; L212-L216 HydrophobicContact CD1-CD1 4.15Å; L212-L216 HydrophobicContact CD1-CG 4.13Å; L212-L216 HydrophobicContact CG-CD1 4.04Å; L212-L216 HydrophobicContact CG-CG 4.44Å; L212-L216 WeakPolarHBondContact O-CB 3.47Å; L212-L216 WeakPolarHBondContact O-CG 3.37Å; L212-L216 PolarHBondContact O-N 3.34Å; L212-M227 HydrophobicContact CB-SD 4.35Å; L212-M227 HydrophobicContact CD2-CE 4.29Å; L212-M227 HydrophobicContact CD2-SD 3.36Å; L212-M227 WeakPolarHBondContact CD2-SD 3.34Å; L212-M227 HydrophobicContact CG-CE 4.06Å; L212-M227 HydrophobicContact CG-SD 3.79Å; L212-F230 HydrophobicContact CD1-CB 4.48Å; L212-F230 HydrophobicContact CD1-CD1 4.34Å; L212-F230 HydrophobicContact CD1-CD2 4.37Å; L212-F230 HydrophobicContact CD1-CG 4.15Å; L212-F230 HydrophobicContact CD2-CB 3.35Å; L212-F230 HydrophobicContact CD2-CD2 4.08Å; L212-F230 HydrophobicContact CD2-CG 3.8Å; L212-F240 HydrophobicContact CD2-CE2 4.44Å; L212-I244 HydrophobicContact CD1-CD1 3.94Å
213K91.1Very high86.4Confident139 Ų13978.8 Ų78.860%0.60437%0.37SS*.Hα-helixtrans-60.7-46.5176.2-173.7-178.7178.6-174.70110.8K209 R210 L216 L217 M227K209-K213 WeakPolarHBondContact O-CB 3.49Å; K209-K213 PolarHBondContact O-N 3.06Å; R210-K213 PolarHBondContact O-N 2.79Å; K213-L216 PolarHBondContact O-N 3.03Å; K213-L217 WeakPolarHBondContact O-CG 3.4Å; K213-L217 PolarHBondContact O-N 3.44Å; K213-M227 HydrophobicContact CB-CE 3.79Å; K213-M227 HydrophobicContact CG-CE 4.35Å
214D89.5Confident88.3Confident98 Ų9871.9 Ų71.952%0.52434%0.338SS..Hα-helixtrans-62.3-44.8177.5-171.164.3000111.8R210 N211 L212 L216 L217 H218R210-D214 PolarHBondContact O-N 3.06Å; N211-D214 PolarHBondContact O-N 3.22Å; L212-D214 VanDerWaalsContact C-N 3.33Å; D214-L216 PolarHBondContact O-N 3.38Å; D214-L217 WeakPolarHBondContact O-CB 3.44Å; D214-L217 PolarHBondContact O-N 2.92Å; D214-L217 VanDerWaalsContact O-N 3.16Å; D214-H218 PolarHBondContact O-ND1 3.25Å; D214-H218 VanDerWaalsContact O-ND1 3.07Å
215W89.7Confident89.3Confident7 Ų766.8 Ų66.83%0.02732%0.316CS..Hα-helixtrans-60.3-44.8176-175.578.5000112.5L192 A195 I197 N211 L212 L217 H218 I244 Q247 R248L192-W215 HydrophobicContact CD1-CZ2 3.83Å; A195-W215 PolarHBondContact O-NE1 2.91Å; I197-W215 HydrophobicContact CB-CG 4.38Å; I197-W215 HydrophobicContact CD1-CB 4.36Å; I197-W215 HydrophobicContact CD1-CD2 4.49Å; I197-W215 HydrophobicContact CD1-CG 4.4Å; N211-W215 WeakPolarHBondContact O-CB 3.23Å; N211-W215 PolarHBondContact O-N 2.85Å; L212-W215 HydrophobicContact CD1-CE3 4.01Å; L212-W215 PolarHBondContact O-N 2.94Å; W215-L217 PolarHBondContact O-N 2.89Å; W215-H218 WeakPolarHBondContact O-CB 3.5Å; W215-H218 PolarHBondContact O-N 3.06Å; W215-H218 VanDerWaalsContact O-N 3.12Å; W215-H218 PolarHBondContact O-ND1 2.86Å; W215-I244 HydrophobicContact CE3-CD1 4.27Å; W215-I244 HydrophobicContact CH2-CD1 4.29Å; W215-I244 HydrophobicContact CH2-CG2 3.99Å; W215-I244 HydrophobicContact CZ2-CG2 4.13Å; W215-I244 HydrophobicContact CZ3-CD1 3.87Å; W215-Q247 HydrophobicContact CH2-CB 3.93Å; W215-Q247 HydrophobicContact CH2-CG 3.52Å; W215-Q247 HydrophobicContact CZ3-CB 4.18Å; W215-Q247 HydrophobicContact CZ3-CG 3.62Å; W215-R248 HydrophobicContact CH2-CG 4.37Å; W215-R248 HydrophobicContact CZ2-CG 4.08Å
216L91.9Very high90.3Very high9 Ų964 Ų645%0.04730%0.299CS..Hα-helixtrans-65.7-18.4178.5-73.1171.1000113.8L212 K213 D214 H218 V219 R224 M227 F230 Q247L212-L216 HydrophobicContact CD1-CD1 4.15Å; L212-L216 HydrophobicContact CD1-CG 4.13Å; L212-L216 HydrophobicContact CG-CD1 4.04Å; L212-L216 HydrophobicContact CG-CG 4.44Å; L212-L216 WeakPolarHBondContact O-CB 3.47Å; L212-L216 WeakPolarHBondContact O-CG 3.37Å; L212-L216 PolarHBondContact O-N 3.34Å; K213-L216 PolarHBondContact O-N 3.03Å; D214-L216 PolarHBondContact O-N 3.38Å; L216-H218 PolarHBondContact O-N 3.44Å; L216-V219 HydrophobicContact CD2-CG2 4.37Å; L216-V219 WeakPolarHBondContact O-CB 3.31Å; L216-V219 PolarHBondContact O-N 2.84Å; L216-V219 VanDerWaalsContact O-N 3.13Å; L216-R224 HydrophobicContact CB-CG 4.48Å; L216-R224 HydrophobicContact CD2-CG 4.08Å; L216-R224 VanDerWaalsContact O-CZ 3.31Å; L216-R224 PolarHBondContact O-NE 3.02Å; L216-R224 PolarHBondContact O-NH2 2.76Å; L216-M227 HydrophobicContact CD1-CE 3.72Å; L216-M227 HydrophobicContact CD1-SD 4.49Å; L216-F230 HydrophobicContact CD1-CD2 4.17Å; L216-F230 HydrophobicContact CD1-CE2 3.92Å; L216-F230 HydrophobicContact CD2-CE2 3.78Å; L216-F230 HydrophobicContact CD2-CZ 3.94Å; L216-F230 HydrophobicContact CG-CE2 4.42Å; L216-Q247 HydrophobicContact CD2-CG 4.35Å
217L90.5Very high90.8Very high112 Ų11256.6 Ų56.659%0.58627%0.268SS*.Hα-helixtrans-64.1-27.5173.6-67173.3000112.2K213 D214 W215 V219K213-L217 WeakPolarHBondContact O-CG 3.4Å; K213-L217 PolarHBondContact O-N 3.44Å; D214-L217 WeakPolarHBondContact O-CB 3.44Å; D214-L217 PolarHBondContact O-N 2.92Å; D214-L217 VanDerWaalsContact O-N 3.16Å; W215-L217 PolarHBondContact O-N 2.89Å; L217-V219 PolarHBondContact O-N 3.33Å
218H90.3Very high91.3Very high74 Ų7458.3 Ų58.334%0.34328%0.276SS..THydrogen-bonded Turntrans-77.7-10.9177-57.682.9000112.8L192 D214 W215 L216L192-H218 HydrophobicContact CD1-CB 4.26Å; D214-H218 PolarHBondContact O-ND1 3.25Å; D214-H218 VanDerWaalsContact O-ND1 3.07Å; W215-H218 WeakPolarHBondContact O-CB 3.5Å; W215-H218 PolarHBondContact O-N 3.06Å; W215-H218 VanDerWaalsContact O-N 3.12Å; W215-H218 PolarHBondContact O-ND1 2.86Å; L216-H218 PolarHBondContact O-N 3.44Å
219V92Very high91.9Very high1 Ų158.2 Ų58.21%0.00628%0.275CS..SBendtrans-92.7127.8178.21800000109.6L192 L216 L217 R223 R224 Q247L192-V219 HydrophobicContact CD1-CG2 3.72Å; L192-V219 HydrophobicContact CD2-CG2 4.37Å; L216-V219 HydrophobicContact CD2-CG2 4.37Å; L216-V219 WeakPolarHBondContact O-CB 3.31Å; L216-V219 PolarHBondContact O-N 2.84Å; L216-V219 VanDerWaalsContact O-N 3.13Å; L217-V219 PolarHBondContact O-N 3.33Å; V219-R223 HydrophobicContact CG1-CB 4.46Å; V219-R224 HydrophobicContact CB-CG 4.44Å; V219-R224 HydrophobicContact CG1-CB 4Å; V219-R224 HydrophobicContact CG1-CG 4.3Å; V219-R224 VanDerWaalsContact O-CZ 3.31Å; V219-R224 PolarHBondContact O-NE 3.27Å; V219-R224 VanDerWaalsContact O-NE 3.13Å; V219-R224 PolarHBondContact O-NH2 3.36Å; V219-Q247 VanDerWaalsContact CG1-NE2 3.34Å; V219-Q247 HydrophobicContact CG2-CG 4.26Å
220P91.1Very high92.2Very high49 Ų4953 Ų5332%0.31825%0.253SS..  trans-54.7144.2174.7-24.433.5000112.6E222 R223 R224P220-E222 VanDerWaalsContact C-N 3.26Å; P220-E222 HydrophobicContact CB-CG 4.11Å; P220-E222 WeakPolarHBondContact CB-OE2 3.34Å; P220-E222 PolarHBondContact O-N 3.05Å; P220-R223 CarbonylContact O-C 3.6Å; P220-R223 PolarHBondContact O-N 3.27Å; P220-R224 WeakPolarHBondContact O-CB 3.42Å; P220-R224 PolarHBondContact O-N 3.14Å; P220-R224 VanDerWaalsContact O-N 3.15Å
221V92.1Very high92.4Very high77 Ų7747.4 Ų47.447%0.46723%0.234SC..G310 helixtrans-62.7-37-172.1179.80000111.5R223 R224V221-R223 PolarHBondContact O-N 3Å; V221-R224 PolarHBondContact O-N 3.44Å
222E92.6Very high92.8Very high91 Ų9147.6 Ų47.643%0.42523%0.234SC..G310 helixtrans-64.3-15176.259.4-92.9-14000114.2N74 L75 D76 P220N74-E222 WeakPolarHBondContact O-CA 3.22Å; N74-E222 WeakPolarHBondContact O-CB 3.28Å; L75-E222 WeakPolarHBondContact CA-O 3.49Å; D76-E222 PolarHBondContact N-O 3.32Å; P220-E222 VanDerWaalsContact C-N 3.26Å; P220-E222 HydrophobicContact CB-CG 4.11Å; P220-E222 WeakPolarHBondContact CB-OE2 3.34Å; P220-E222 PolarHBondContact O-N 3.05Å
223R93.1Very high92.9Very high34 Ų3447.7 Ų47.713%0.12824%0.235CC..G310 helixtrans-120.43.2-178-68.4178.1-176.9-169.9-4.5114.1I79 V219 P220 V221 Q247 S250 S251 L252I79-R223 HydrophobicContact CD1-CB 4.06Å; I79-R223 HydrophobicContact CD1-CG 4.14Å; I79-R223 HydrophobicContact CG1-CG 4.46Å; V219-R223 HydrophobicContact CG1-CB 4.46Å; P220-R223 CarbonylContact O-C 3.6Å; P220-R223 PolarHBondContact O-N 3.27Å; V221-R223 PolarHBondContact O-N 3Å; R223-Q247 PolarHBondContact O-NE2 3Å; R223-S250 WeakPolarHBondContact CD-O 3.27Å; R223-S251 PolarHBondContact NH1-O 3.4Å; R223-S251 VanDerWaalsContact NH1-O 3.15Å; R223-L252 VanDerWaalsContact NH1-C 3.29Å; R223-L252 PolarHBondContact NH1-O 3.29Å
224R94.7Very high92.8Very high67 Ų6742.4 Ų42.425%0.25321%0.214SC..  trans-89.9115.9-169.8-167.7-175.1-66.7162.2-3.8111.6N82 L216 V219 P220 V221N82-R224 PolarHBondContact ND2-O 3.29Å; N82-R224 PolarHBondContact OD1-O 3.04Å; L216-R224 HydrophobicContact CB-CG 4.48Å; L216-R224 HydrophobicContact CD2-CG 4.08Å; L216-R224 VanDerWaalsContact O-CZ 3.31Å; L216-R224 PolarHBondContact O-NE 3.02Å; L216-R224 PolarHBondContact O-NH2 2.76Å; V219-R224 HydrophobicContact CB-CG 4.44Å; V219-R224 HydrophobicContact CG1-CB 4Å; V219-R224 HydrophobicContact CG1-CG 4.3Å; V219-R224 VanDerWaalsContact O-CZ 3.31Å; V219-R224 PolarHBondContact O-NE 3.27Å; V219-R224 VanDerWaalsContact O-NE 3.13Å; V219-R224 PolarHBondContact O-NH2 3.36Å; P220-R224 WeakPolarHBondContact O-CB 3.42Å; P220-R224 PolarHBondContact O-N 3.14Å; P220-R224 VanDerWaalsContact O-N 3.15Å; V221-R224 PolarHBondContact O-N 3.44Å
225L96Very high92.6Very high2 Ų241.9 Ų41.91%0.0122%0.218CC..  trans-68.3153.8169-58.5174.6000110.3I79 L85 F229 F230 I246 Q247I79-L225 HydrophobicContact CG2-CD2 3.66Å; L85-L225 HydrophobicContact CD1-CD2 3.6Å; L225-F229 HydrophobicContact CB-CD1 4.26Å; L225-F229 HydrophobicContact CD1-CD1 4.06Å; L225-F229 HydrophobicContact CD1-CE1 3.78Å; L225-F230 HydrophobicContact CB-CE2 3.89Å; L225-F230 HydrophobicContact CB-CZ 3.89Å; L225-F230 HydrophobicContact CD1-CZ 4.32Å; L225-I246 HydrophobicContact CD1-CG2 4.11Å; L225-Q247 HydrophobicContact CD1-CB 4.08Å; L225-Q247 VanDerWaalsContact CG-OE1 3.24Å
226P96Very high92.6Very high14 Ų1444.4 Ų44.49%0.09123%0.232CC..  trans-78.5152.6-171.330.3-24.6000111N82 L85 K86 E228 F229 F230N82-P226 HydrophobicContact CB-CB 4.43Å; N82-P226 HydrophobicContact CB-CG 4.28Å; N82-P226 WeakPolarHBondContact OD1-CD 3.41Å; L85-P226 HydrophobicContact CB-CG 3.64Å; K86-P226 HydrophobicContact CB-CB 4.38Å; K86-P226 HydrophobicContact CB-CG 4.39Å; P226-E228 PolarHBondContact O-N 3.4Å; P226-F229 HydrophobicContact CG-CB 3.96Å; P226-F229 VanDerWaalsContact O-CB 3.31Å; P226-F229 WeakPolarHBondContact O-CB 3.46Å; P226-F229 PolarHBondContact O-N 3.27Å; P226-F229 VanDerWaalsContact O-N 3.13Å; P226-F230 VanDerWaalsContact O-CD2 3.23Å; P226-F230 WeakPolarHBondContact O-CD2 3.44Å
227M93.9Very high92.4Very high38 Ų3850.1 Ų50.119%0.18726%0.256CS..Hα-helixtrans-57.3-40-179.7-178.963.264.700111.8K209 L212 K213 L216 F229 F230 L231K209-M227 HydrophobicContact CG-SD 4.42Å; L212-M227 HydrophobicContact CB-SD 4.35Å; L212-M227 HydrophobicContact CD2-CE 4.29Å; L212-M227 HydrophobicContact CD2-SD 3.36Å; L212-M227 WeakPolarHBondContact CD2-SD 3.34Å; L212-M227 HydrophobicContact CG-CE 4.06Å; L212-M227 HydrophobicContact CG-SD 3.79Å; K213-M227 HydrophobicContact CB-CE 3.79Å; K213-M227 HydrophobicContact CG-CE 4.35Å; L216-M227 HydrophobicContact CD1-CE 3.72Å; L216-M227 HydrophobicContact CD1-SD 4.49Å; M227-F229 PolarHBondContact O-N 3.04Å; M227-F230 PolarHBondContact O-N 2.68Å; M227-L231 HydrophobicContact CG-CD1 3.73Å; M227-L231 HydrophobicContact CG-CG 4.02Å; M227-L231 WeakPolarHBondContact O-CG 3.2Å; M227-L231 PolarHBondContact O-N 2.8Å; M227-L231 HydrophobicContact SD-CD1 4.39Å; M227-L231 HydrophobicContact SD-CD2 4.46Å; M227-L231 HydrophobicContact SD-CG 4.19Å
228E95.3Very high92.3Very high99 Ų9952.9 Ų52.946%0.46326%0.264SS..Hα-helixtrans-55.4-37.7179-67.677.9-174.600112.3K86 P226 L231 H232K86-E228 HydrophobicContact CB-CB 4.35Å; K86-E228 HydrophobicContact CB-CG 4.41Å; P226-E228 PolarHBondContact O-N 3.4Å; E228-L231 PolarHBondContact O-N 3.15Å; E228-H232 WeakPolarHBondContact O-CB 3.37Å; E228-H232 PolarHBondContact O-N 3.1Å
229F97.2Very high92.4Very high0 Ų050.1 Ų50.10%025%0.251CS..Hα-helixtrans-61.5-47.8178.5174-108000111.5L85 L91 L94 L149 F153 L225 P226 M227 H232 F233 A243L85-F229 HydrophobicContact CB-CB 4.3Å; L85-F229 HydrophobicContact CB-CD2 4.22Å; L85-F229 HydrophobicContact CD1-CD2 4.17Å; L85-F229 HydrophobicContact CD1-CE2 4.38Å; L85-F229 HydrophobicContact CD1-CG 4.4Å; L85-F229 HydrophobicContact CD2-CD2 4.09Å; L85-F229 HydrophobicContact CD2-CE2 4.17Å; L85-F229 HydrophobicContact CG-CD2 4.4Å; L91-F229 HydrophobicContact CD2-CD2 3.81Å; L94-F229 HydrophobicContact CD2-CE2 3.99Å; L149-F229 HydrophobicContact CD2-CE2 3.95Å; L149-F229 HydrophobicContact CD2-CZ 4.35Å; F153-F229 AromaticContact CE2-CE2 3.91Å; F153-F229 HydrophobicContact CE2-CE2 3.91Å; F153-F229 AromaticContact CE2-CZ 3.57Å; F153-F229 HydrophobicContact CE2-CZ 3.57Å; F153-F229 HydrophobicContact CZ-CE1 4.3Å; F153-F229 AromaticContact CZ-CE2 3.97Å; F153-F229 HydrophobicContact CZ-CE2 3.97Å; F153-F229 AromaticContact CZ-CZ 3.46Å; F153-F229 HydrophobicContact CZ-CZ 3.46Å; F153-F229 VanDerWaalsContact CZ-CZ 3.46Å; L225-F229 HydrophobicContact CB-CD1 4.26Å; L225-F229 HydrophobicContact CD1-CD1 4.06Å; L225-F229 HydrophobicContact CD1-CE1 3.78Å; P226-F229 HydrophobicContact CG-CB 3.96Å; P226-F229 VanDerWaalsContact O-CB 3.31Å; P226-F229 WeakPolarHBondContact O-CB 3.46Å; P226-F229 PolarHBondContact O-N 3.27Å; P226-F229 VanDerWaalsContact O-N 3.13Å; M227-F229 PolarHBondContact O-N 3.04Å; F229-H232 WeakPolarHBondContact O-CB 3.12Å; F229-F233 HydrophobicContact CD2-CE2 4.12Å; F229-F233 AromaticContact CE2-CE2 3.85Å; F229-F233 HydrophobicContact CE2-CE2 3.85Å; F229-F233 HydrophobicContact CZ-CE2 4.25Å; F229-F233 WeakPolarHBondContact O-CD2 3.33Å; F229-A243 HydrophobicContact CD1-CB 4.35Å; F229-A243 HydrophobicContact CE1-CB 3.75Å; F229-A243 HydrophobicContact CZ-CB 4.34Å
230F94.5Very high92.4Very high0 Ų050.2 Ų50.20%025%0.252CS..Hα-helixtrans-70.2-41.6177.9-57.8-81.4000112.1L212 L216 L225 P226 M227 H232 F233 F240 A243 I244 Q247L212-F230 HydrophobicContact CD1-CB 4.48Å; L212-F230 HydrophobicContact CD1-CD1 4.34Å; L212-F230 HydrophobicContact CD1-CD2 4.37Å; L212-F230 HydrophobicContact CD1-CG 4.15Å; L212-F230 HydrophobicContact CD2-CB 3.35Å; L212-F230 HydrophobicContact CD2-CD2 4.08Å; L212-F230 HydrophobicContact CD2-CG 3.8Å; L216-F230 HydrophobicContact CD1-CD2 4.17Å; L216-F230 HydrophobicContact CD1-CE2 3.92Å; L216-F230 HydrophobicContact CD2-CE2 3.78Å; L216-F230 HydrophobicContact CD2-CZ 3.94Å; L216-F230 HydrophobicContact CG-CE2 4.42Å; L225-F230 HydrophobicContact CB-CE2 3.89Å; L225-F230 HydrophobicContact CB-CZ 3.89Å; L225-F230 HydrophobicContact CD1-CZ 4.32Å; P226-F230 VanDerWaalsContact O-CD2 3.23Å; P226-F230 WeakPolarHBondContact O-CD2 3.44Å; M227-F230 PolarHBondContact O-N 2.68Å; F230-H232 PolarHBondContact O-N 2.95Å; F230-F233 PolarHBondContact O-N 3.19Å; F230-F240 HydrophobicContact CB-CE2 4.16Å; F230-A243 HydrophobicContact CD1-CB 3.95Å; F230-A243 HydrophobicContact CE1-CB 4.32Å; F230-I244 HydrophobicContact CD1-CD1 3.81Å; F230-I244 HydrophobicContact CE1-CD1 3.84Å; F230-Q247 HydrophobicContact CE1-CB 4Å; F230-Q247 HydrophobicContact CZ-CB 3.85Å; F230-Q247 HydrophobicContact CZ-CG 4.01Å
231L91.9Very high92.3Very high41 Ų4151.7 Ų51.722%0.21526%0.259CS..Hα-helixtrans-60.4-32.4-179-71.1-178.2000112K209 M227 E228 F233 T234K209-L231 HydrophobicContact CB-CD2 4.25Å; K209-L231 HydrophobicContact CD-CD1 4.17Å; K209-L231 HydrophobicContact CG-CD1 4.5Å; K209-L231 HydrophobicContact CG-CD2 4.25Å; M227-L231 HydrophobicContact CG-CD1 3.73Å; M227-L231 HydrophobicContact CG-CG 4.02Å; M227-L231 WeakPolarHBondContact O-CG 3.2Å; M227-L231 PolarHBondContact O-N 2.8Å; M227-L231 HydrophobicContact SD-CD1 4.39Å; M227-L231 HydrophobicContact SD-CD2 4.46Å; M227-L231 HydrophobicContact SD-CG 4.19Å; E228-L231 PolarHBondContact O-N 3.15Å; L231-F233 PolarHBondContact O-N 3.49Å; L231-T234 HydrophobicContact CD2-CG2 4.08Å; L231-T234 WeakPolarHBondContact O-CB 3.2Å; L231-T234 WeakPolarHBondContact O-CG2 3.22Å; L231-T234 PolarHBondContact O-N 2.8Å; L231-T234 PolarHBondContact O-OG1 2.84Å
232H94.1Very high92.2Very high47 Ų4749.5 Ų49.522%0.21824%0.244CC..Hα-helixtrans-60.2-28.6176.2-171.178000113.9L91 N95 E228 F229 F230L91-H232 HydrophobicContact CD1-CB 3.93Å; L91-H232 PolarHBondContact O-NE2 2.92Å; N95-H232 PolarHBondContact ND2-NE2 3.06Å; E228-H232 WeakPolarHBondContact O-CB 3.37Å; E228-H232 PolarHBondContact O-N 3.1Å; F229-H232 WeakPolarHBondContact O-CB 3.12Å; F230-H232 PolarHBondContact O-N 2.95Å
233F93Very high92.4Very high3 Ų345.1 Ų45.11%0.01322%0.223CC..THydrogen-bonded Turntrans-101.16.3-178.3-60.2-66.3000114L94 N95 I98 F153 F229 F230 L231 S235 N236 L239 F240 A243L94-F233 HydrophobicContact CD2-CE2 4.34Å; L94-F233 HydrophobicContact CD2-CZ 3.78Å; L94-F233 HydrophobicContact CG-CZ 4.38Å; N95-F233 WeakPolarHBondContact OD1-CE1 3.11Å; I98-F233 HydrophobicContact CD1-CE1 4.01Å; I98-F233 HydrophobicContact CD1-CZ 4.23Å; F153-F233 HydrophobicContact CE1-CD2 4.23Å; F153-F233 HydrophobicContact CE1-CE1 4.38Å; F153-F233 AromaticContact CE1-CE2 3.95Å; F153-F233 HydrophobicContact CE1-CE2 3.95Å; F153-F233 HydrophobicContact CE1-CZ 4.02Å; F153-F233 HydrophobicContact CE2-CE2 4.23Å; F153-F233 HydrophobicContact CE2-CZ 4.24Å; F153-F233 HydrophobicContact CZ-CD2 4.07Å; F153-F233 AromaticContact CZ-CE2 3.47Å; F153-F233 HydrophobicContact CZ-CE2 3.47Å; F153-F233 VanDerWaalsContact CZ-CE2 3.47Å; F153-F233 AromaticContact CZ-CZ 3.73Å; F153-F233 HydrophobicContact CZ-CZ 3.73Å; F229-F233 HydrophobicContact CD2-CE2 4.12Å; F229-F233 AromaticContact CE2-CE2 3.85Å; F229-F233 HydrophobicContact CE2-CE2 3.85Å; F229-F233 HydrophobicContact CZ-CE2 4.25Å; F229-F233 WeakPolarHBondContact O-CD2 3.33Å; F230-F233 PolarHBondContact O-N 3.19Å; L231-F233 PolarHBondContact O-N 3.49Å; F233-S235 PolarHBondContact O-N 3.18Å; F233-N236 CarbonylContact O-C 3.48Å; F233-N236 PolarHBondContact O-N 3.48Å; F233-L239 HydrophobicContact CB-CB 4.02Å; F233-L239 HydrophobicContact CD1-CB 3.62Å; F233-L239 HydrophobicContact CD1-CD1 3.85Å; F233-L239 HydrophobicContact CD1-CG 4.35Å; F233-L239 HydrophobicContact CE1-CB 4.37Å; F233-L239 HydrophobicContact CE1-CD1 4.15Å; F233-L239 HydrophobicContact CG-CB 4.01Å; F233-F240 HydrophobicContact CB-CB 4.36Å; F233-A243 HydrophobicContact CD2-CB 4.18Å
234T89.1Confident92.3Very high27 Ų2744 Ų4417%0.16622%0.22CC..THydrogen-bonded Turntrans-62.5-26.5-175.350.60000114.6Y199 L208 L231 N236 F240Y199-T234 PolarHBondContact OH-O 3.4Å; Y199-T234 VanDerWaalsContact OH-O 3.05Å; L208-T234 HydrophobicContact CD2-CG2 3.8Å; L231-T234 HydrophobicContact CD2-CG2 4.08Å; L231-T234 WeakPolarHBondContact O-CB 3.2Å; L231-T234 WeakPolarHBondContact O-CG2 3.22Å; L231-T234 PolarHBondContact O-N 2.8Å; L231-T234 PolarHBondContact O-OG1 2.84Å; T234-N236 VanDerWaalsContact C-N 3.29Å; T234-F240 HydrophobicContact CG2-CD2 4.17Å; T234-F240 HydrophobicContact CG2-CE2 4.19Å
235S86.2Confident92Very high87 Ų8743 Ų4361%0.60822%0.218SC*.THydrogen-bonded Turntrans-75.7-15.9174.955.80000113.5F233F233-S235 PolarHBondContact O-N 3.18Å
236N89.7Confident91.9Very high61 Ų6143.1 Ų43.133%0.32622%0.218SC..  trans-123.796.5-178.7-173.3-32.2000110.3F233 T234 K238 L239 F240F233-N236 CarbonylContact O-C 3.48Å; F233-N236 PolarHBondContact O-N 3.48Å; T234-N236 VanDerWaalsContact C-N 3.29Å; N236-K238 PolarHBondContact O-N 3.36Å; N236-K238 VanDerWaalsContact O-N 3.1Å; N236-K238 WeakPolarHBondContact OD1-CB 3.32Å; N236-K238 PolarHBondContact OD1-N 3.48Å; N236-K238 VanDerWaalsContact OD1-N 3.15Å; N236-L239 HydrophobicContact CB-CB 4.18Å; N236-L239 HydrophobicContact CB-CD1 4.13Å; N236-L239 HydrophobicContact CB-CG 4.23Å; N236-L239 PolarHBondContact O-N 3.02Å; N236-L239 PolarHBondContact OD1-N 3.33Å; N236-F240 PolarHBondContact O-N 3.11Å
237K87.1Confident91.8Very high128 Ų12842.5 Ų42.556%0.55721%0.214SC*.Hα-helixtrans-46.6-43.2179.3-176.6177.2179.2-177.50113.2Y199 F240 V241Y199-K237 HydrophobicContact CD1-CB 4.07Å; Y199-K237 HydrophobicContact CD1-CD 3.68Å; Y199-K237 HydrophobicContact CD1-CG 3.61Å; Y199-K237 HydrophobicContact CD2-CB 4.44Å; Y199-K237 HydrophobicContact CD2-CG 4.25Å; Y199-K237 HydrophobicContact CE1-CB 3.66Å; Y199-K237 HydrophobicContact CE1-CD 3.88Å; Y199-K237 HydrophobicContact CE1-CG 3.75Å; Y199-K237 HydrophobicContact CE2-CB 4.05Å; Y199-K237 HydrophobicContact CE2-CG 4.35Å; Y199-K237 HydrophobicContact CG-CB 4.43Å; Y199-K237 HydrophobicContact CG-CD 4.34Å; Y199-K237 HydrophobicContact CG-CG 3.86Å; K237-F240 PolarHBondContact O-N 2.86Å; K237-V241 HydrophobicContact CG-CG2 4.48Å; K237-V241 VanDerWaalsContact O-CG2 3.28Å; K237-V241 WeakPolarHBondContact O-CG2 3.21Å; K237-V241 PolarHBondContact O-N 3.34Å
238K87.6Confident91.6Very high171 Ų17143.2 Ų43.274%0.74322%0.215SC*.Hα-helixtrans-63.9-47.8-178.2-177.3-179.7177.91790111.1N236 K242N236-K238 PolarHBondContact O-N 3.36Å; N236-K238 VanDerWaalsContact O-N 3.1Å; N236-K238 WeakPolarHBondContact OD1-CB 3.32Å; N236-K238 PolarHBondContact OD1-N 3.48Å; N236-K238 VanDerWaalsContact OD1-N 3.15Å; K238-K242 PolarHBondContact O-N 3.08Å; K238-K242 VanDerWaalsContact O-N 3.1Å
239L92.9Very high91.3Very high16 Ų1641 Ų418%0.08421%0.205CC..Hα-helixtrans-69.5-37.1178.6-62.8179.3000111.7I98 F153 F233 N236 K242 A243I98-L239 HydrophobicContact CG2-CD1 4.28Å; I98-L239 HydrophobicContact CG2-CD2 3.92Å; F153-L239 HydrophobicContact CD1-CD2 4.02Å; F233-L239 HydrophobicContact CB-CB 4.02Å; F233-L239 HydrophobicContact CD1-CB 3.62Å; F233-L239 HydrophobicContact CD1-CD1 3.85Å; F233-L239 HydrophobicContact CD1-CG 4.35Å; F233-L239 HydrophobicContact CE1-CB 4.37Å; F233-L239 HydrophobicContact CE1-CD1 4.15Å; F233-L239 HydrophobicContact CG-CB 4.01Å; N236-L239 HydrophobicContact CB-CB 4.18Å; N236-L239 HydrophobicContact CB-CD1 4.13Å; N236-L239 HydrophobicContact CB-CG 4.23Å; N236-L239 PolarHBondContact O-N 3.02Å; N236-L239 PolarHBondContact OD1-N 3.33Å; L239-K242 PolarHBondContact O-N 2.94Å; L239-A243 PolarHBondContact O-N 2.91Å
240F91.9Very high91Very high3 Ų341 Ų411%0.01321%0.205CC..Hα-helixtrans-60.1-48.8174.9-177.3-94.5000111.8I197 Y199 L208 L212 F230 F233 T234 N236 K237 K242 A243 I244I197-F240 HydrophobicContact CD1-CE1 4.42Å; I197-F240 HydrophobicContact CD1-CZ 4.18Å; Y199-F240 HydrophobicContact CD2-CB 4.28Å; Y199-F240 AromaticContact CD2-CD1 3.64Å; Y199-F240 HydrophobicContact CD2-CD1 3.64Å; Y199-F240 HydrophobicContact CD2-CE1 4.2Å; Y199-F240 HydrophobicContact CD2-CG 4.03Å; Y199-F240 HydrophobicContact CE2-CB 4.31Å; Y199-F240 HydrophobicContact CE2-CD1 4.41Å; Y199-F240 HydrophobicContact CE2-CG 4.36Å; L208-F240 HydrophobicContact CD1-CE1 4.26Å; L208-F240 HydrophobicContact CD1-CZ 3.9Å; L208-F240 HydrophobicContact CD2-CE2 4.33Å; L208-F240 HydrophobicContact CD2-CZ 4.33Å; L208-F240 HydrophobicContact CG-CZ 4.35Å; L212-F240 HydrophobicContact CD2-CE2 4.44Å; F230-F240 HydrophobicContact CB-CE2 4.16Å; F233-F240 HydrophobicContact CB-CB 4.36Å; T234-F240 HydrophobicContact CG2-CD2 4.17Å; T234-F240 HydrophobicContact CG2-CE2 4.19Å; N236-F240 PolarHBondContact O-N 3.11Å; K237-F240 PolarHBondContact O-N 2.86Å; F240-K242 PolarHBondContact O-N 3.09Å; F240-A243 WeakPolarHBondContact O-CB 3.4Å; F240-A243 PolarHBondContact O-N 3.47Å; F240-A243 VanDerWaalsContact O-N 3.11Å; F240-I244 HydrophobicContact CD1-CG1 4.27Å; F240-I244 HydrophobicContact CE1-CD1 4.26Å; F240-I244 HydrophobicContact CE1-CG1 3.89Å; F240-I244 HydrophobicContact CZ-CD1 4.16Å; F240-I244 HydrophobicContact CZ-CG1 4.26Å; F240-I244 WeakPolarHBondContact O-CG1 3.34Å; F240-I244 PolarHBondContact O-N 2.92Å
241V88.8Confident90.8Very high79 Ų7941.3 Ų41.348%0.47921%0.207SC..Hα-helixtrans-59.7-39176.2170.90000110.7K237 A243 I244 E245K237-V241 HydrophobicContact CG-CG2 4.48Å; K237-V241 VanDerWaalsContact O-CG2 3.28Å; K237-V241 WeakPolarHBondContact O-CG2 3.21Å; K237-V241 PolarHBondContact O-N 3.34Å; V241-A243 PolarHBondContact O-N 3.41Å; V241-I244 WeakPolarHBondContact O-CB 3.14Å; V241-I244 PolarHBondContact O-N 2.86Å; V241-E245 PolarHBondContact O-N 3.39Å
242K91.6Very high90.7Very high31 Ų3140.2 Ų40.214%0.13520%0.201CC..Hα-helixtrans-65.6-36.8175.8-16960.1174.1-174.90112.9C152 F153 E155 K238 L239 F240 I244 E245 I246C152-K242 WeakPolarHBondContact O-CE 3.44Å; F153-K242 HydrophobicContact CD1-CB 3.94Å; F153-K242 HydrophobicContact CD1-CG 3.73Å; F153-K242 HydrophobicContact CE1-CB 4.13Å; F153-K242 HydrophobicContact CE1-CG 4.22Å; F153-K242 HydrophobicContact CG-CG 4.3Å; E155-K242 IonicContact OE1-NZ 2.92Å; E155-K242 PolarHBondContact OE1-NZ 3.2Å; K238-K242 PolarHBondContact O-N 3.08Å; K238-K242 VanDerWaalsContact O-N 3.1Å; L239-K242 PolarHBondContact O-N 2.94Å; F240-K242 PolarHBondContact O-N 3.09Å; K242-I244 VanDerWaalsContact C-N 3.34Å; K242-E245 WeakPolarHBondContact O-CB 3.45Å; K242-E245 PolarHBondContact O-N 3.24Å; K242-I246 HydrophobicContact CG-CD1 4.32Å; K242-I246 VanDerWaalsContact O-CG1 3.3Å; K242-I246 WeakPolarHBondContact O-CG1 3.15Å; K242-I246 PolarHBondContact O-N 2.73Å
243A94.9Very high90.5Very high0 Ų040 Ų400%020%0.201CC..Hα-helixtrans-63.7-39.9174.200000111.9F153 F229 F230 F233 L239 F240 V241 E245 I246 Q247F153-A243 HydrophobicContact CE1-CB 4.21Å; F153-A243 HydrophobicContact CZ-CB 4.07Å; F229-A243 HydrophobicContact CD1-CB 4.35Å; F229-A243 HydrophobicContact CE1-CB 3.75Å; F229-A243 HydrophobicContact CZ-CB 4.34Å; F230-A243 HydrophobicContact CD1-CB 3.95Å; F230-A243 HydrophobicContact CE1-CB 4.32Å; F233-A243 HydrophobicContact CD2-CB 4.18Å; L239-A243 PolarHBondContact O-N 2.91Å; F240-A243 WeakPolarHBondContact O-CB 3.4Å; F240-A243 PolarHBondContact O-N 3.47Å; F240-A243 VanDerWaalsContact O-N 3.11Å; V241-A243 PolarHBondContact O-N 3.41Å; A243-E245 VanDerWaalsContact C-N 3.35Å; A243-I246 PolarHBondContact O-N 2.55Å; A243-Q247 PolarHBondContact O-N 3.24Å
244I91.7Very high90.3Very high10 Ų1040 Ų405%0.05120%0.202CC..Hα-helixtrans-63-42.4173-62.8-60.1000111.1I197 L212 W215 F230 F240 V241 K242 Q247 R248I197-I244 HydrophobicContact CD1-CD1 3.87Å; I197-I244 HydrophobicContact CG2-CD1 4.14Å; I197-I244 HydrophobicContact CG2-CG1 4.04Å; I197-I244 HydrophobicContact CG2-CG2 3.76Å; L212-I244 HydrophobicContact CD1-CD1 3.94Å; W215-I244 HydrophobicContact CE3-CD1 4.27Å; W215-I244 HydrophobicContact CH2-CD1 4.29Å; W215-I244 HydrophobicContact CH2-CG2 3.99Å; W215-I244 HydrophobicContact CZ2-CG2 4.13Å; W215-I244 HydrophobicContact CZ3-CD1 3.87Å; F230-I244 HydrophobicContact CD1-CD1 3.81Å; F230-I244 HydrophobicContact CE1-CD1 3.84Å; F240-I244 HydrophobicContact CD1-CG1 4.27Å; F240-I244 HydrophobicContact CE1-CD1 4.26Å; F240-I244 HydrophobicContact CE1-CG1 3.89Å; F240-I244 HydrophobicContact CZ-CD1 4.16Å; F240-I244 HydrophobicContact CZ-CG1 4.26Å; F240-I244 WeakPolarHBondContact O-CG1 3.34Å; F240-I244 PolarHBondContact O-N 2.92Å; V241-I244 WeakPolarHBondContact O-CB 3.14Å; V241-I244 PolarHBondContact O-N 2.86Å; K242-I244 VanDerWaalsContact C-N 3.34Å; I244-Q247 WeakPolarHBondContact O-CB 3.35Å; I244-Q247 PolarHBondContact O-N 3.46Å; I244-R248 PolarHBondContact O-N 3.04Å
245E89.6Confident90.4Very high47 Ų4739.2 Ų39.222%0.2220%0.196CC..Hα-helixtrans-61.8-45.1176.9-177.652.6-146.100111.7V241 K242 A243 Q247 R248 Q249 Q341V241-E245 PolarHBondContact O-N 3.39Å; K242-E245 WeakPolarHBondContact O-CB 3.45Å; K242-E245 PolarHBondContact O-N 3.24Å; A243-E245 VanDerWaalsContact C-N 3.35Å; E245-Q247 VanDerWaalsContact C-N 3.28Å; E245-Q247 PolarHBondContact O-N 3.03Å; E245-R248 PolarHBondContact O-N 3.25Å; E245-R248 VanDerWaalsContact O-N 3.09Å; E245-Q249 WeakPolarHBondContact O-CG 3.44Å; E245-Q249 PolarHBondContact O-N 2.92Å; E245-Q249 WeakPolarHBondContact OE1-CG 3.23Å; E245-Q249 PolarHBondContact OE1-NE2 3.2Å; E245-Q341 WeakPolarHBondContact OE1-CG 3.49Å
246I93.7Very high90.6Very high4 Ų435 Ų352%0.02117%0.167CC..Hα-helixtrans-58.9-41.8175.1-67.8164.4000110.7L149 F153 P163 L225 K242 A243 S250L149-I246 HydrophobicContact CD1-CD1 4.08Å; L149-I246 HydrophobicContact CD1-CG2 4.41Å; F153-I246 HydrophobicContact CD1-CD1 4.46Å; F153-I246 HydrophobicContact CD2-CD1 3.79Å; F153-I246 HydrophobicContact CE1-CD1 4.27Å; F153-I246 HydrophobicContact CE2-CD1 3.55Å; F153-I246 HydrophobicContact CG-CD1 4.24Å; F153-I246 HydrophobicContact CZ-CD1 3.82Å; P163-I246 HydrophobicContact CG-CG2 4.35Å; L225-I246 HydrophobicContact CD1-CG2 4.11Å; K242-I246 HydrophobicContact CG-CD1 4.32Å; K242-I246 VanDerWaalsContact O-CG1 3.3Å; K242-I246 WeakPolarHBondContact O-CG1 3.15Å; K242-I246 PolarHBondContact O-N 2.73Å; A243-I246 PolarHBondContact O-N 2.55Å; I246-S250 VanDerWaalsContact O-CB 3.25Å; I246-S250 WeakPolarHBondContact O-CB 3.31Å; I246-S250 PolarHBondContact O-N 3.16Å; I246-S250 PolarHBondContact O-OG 3.13Å
247Q93.5Very high90.6Very high0 Ų032.1 Ų32.10%015%0.151CC..Hα-helixtrans-62.5-42.6174.718061.477.300112W215 L216 V219 R223 L225 F230 A243 I244 E245 S250 S251W215-Q247 HydrophobicContact CH2-CB 3.93Å; W215-Q247 HydrophobicContact CH2-CG 3.52Å; W215-Q247 HydrophobicContact CZ3-CB 4.18Å; W215-Q247 HydrophobicContact CZ3-CG 3.62Å; L216-Q247 HydrophobicContact CD2-CG 4.35Å; V219-Q247 VanDerWaalsContact CG1-NE2 3.34Å; V219-Q247 HydrophobicContact CG2-CG 4.26Å; R223-Q247 PolarHBondContact O-NE2 3Å; L225-Q247 HydrophobicContact CD1-CB 4.08Å; L225-Q247 VanDerWaalsContact CG-OE1 3.24Å; F230-Q247 HydrophobicContact CE1-CB 4Å; F230-Q247 HydrophobicContact CZ-CB 3.85Å; F230-Q247 HydrophobicContact CZ-CG 4.01Å; A243-Q247 PolarHBondContact O-N 3.24Å; I244-Q247 WeakPolarHBondContact O-CB 3.35Å; I244-Q247 PolarHBondContact O-N 3.46Å; E245-Q247 VanDerWaalsContact C-N 3.28Å; E245-Q247 PolarHBondContact O-N 3.03Å; Q247-S250 PolarHBondContact O-N 3.25Å; Q247-S251 PolarHBondContact NE2-OG 3.23Å; Q247-S251 WeakPolarHBondContact O-CB 3.45Å; Q247-S251 PolarHBondContact O-N 3.35Å; Q247-S251 PolarHBondContact O-OG 3.33Å
248R90.5Very high90.6Very high54 Ų5426 Ų2620%0.20413%0.125CC..Hα-helixtrans-62.4-49178.2-76.1-179.8167.5-157.5-8.3111.6M188 A195 W215 I244 E245 S250 S251 L252M188-R248 HydrophobicContact CE-CB 4.5Å; M188-R248 HydrophobicContact CE-CG 4.13Å; A195-R248 PolarHBondContact O-NH2 3.28Å; W215-R248 HydrophobicContact CH2-CG 4.37Å; W215-R248 HydrophobicContact CZ2-CG 4.08Å; I244-R248 PolarHBondContact O-N 3.04Å; E245-R248 PolarHBondContact O-N 3.25Å; E245-R248 VanDerWaalsContact O-N 3.09Å; R248-S250 VanDerWaalsContact C-N 3.3Å; R248-S250 PolarHBondContact O-N 2.97Å; R248-S251 WeakPolarHBondContact O-CB 3.3Å; R248-S251 PolarHBondContact O-N 3.41Å; R248-L252 PolarHBondContact O-N 2.96Å
249Q88.7Confident90.4Very high53 Ų5322 Ų2225%0.24811%0.108CC..Hα-helixtrans-56.3-45.5174.8-68-53.8-42.700111.8E245 S251 L252E245-Q249 WeakPolarHBondContact O-CG 3.44Å; E245-Q249 PolarHBondContact O-N 2.92Å; E245-Q249 WeakPolarHBondContact OE1-CG 3.23Å; E245-Q249 PolarHBondContact OE1-NE2 3.2Å; Q249-S251 PolarHBondContact O-N 2.95Å; Q249-L252 WeakPolarHBondContact O-CB 3.49Å; Q249-L252 WeakPolarHBondContact O-CG 3.32Å; Q249-L252 PolarHBondContact O-N 3.13Å; Q249-L252 VanDerWaalsContact OE1-CD1 3.32Å
250S90.8Very high89.5Confident0 Ų022.6 Ų22.60%012%0.116CC..Hα-helixtrans-66.5-17.4178.1-57.80000113.6R223 I246 Q247 R248R223-S250 WeakPolarHBondContact CD-O 3.27Å; I246-S250 VanDerWaalsContact O-CB 3.25Å; I246-S250 WeakPolarHBondContact O-CB 3.31Å; I246-S250 PolarHBondContact O-N 3.16Å; I246-S250 PolarHBondContact O-OG 3.13Å; Q247-S250 PolarHBondContact O-N 3.25Å; R248-S250 VanDerWaalsContact C-N 3.3Å; R248-S250 PolarHBondContact O-N 2.97Å
251S90.5Very high88.6Confident6 Ų628.5 Ų28.54%0.04214%0.141CC..Hα-helixtrans-94.3-11.7-179.7-52.50000113.2R223 Q247 R248 Q249R223-S251 PolarHBondContact NH1-O 3.4Å; R223-S251 VanDerWaalsContact NH1-O 3.15Å; Q247-S251 PolarHBondContact NE2-OG 3.23Å; Q247-S251 WeakPolarHBondContact O-CB 3.45Å; Q247-S251 PolarHBondContact O-N 3.35Å; Q247-S251 PolarHBondContact O-OG 3.33Å; R248-S251 WeakPolarHBondContact O-CB 3.3Å; R248-S251 PolarHBondContact O-N 3.41Å; Q249-S251 PolarHBondContact O-N 2.95Å
252L89.1Confident88.3Confident17 Ų1726.5 Ų26.59%0.08913%0.125CC..PPolyproline II helixtrans-57.4141.4177.7-69.1176.7000111.2I165 M188 R223 R248 Q249I165-L252 WeakPolarHBondContact CG1-O 3.39Å; I165-L252 HydrophobicContact CG2-CB 3.88Å; M188-L252 HydrophobicContact CB-CD2 3.89Å; M188-L252 HydrophobicContact CG-CD2 4.27Å; R223-L252 VanDerWaalsContact NH1-C 3.29Å; R223-L252 PolarHBondContact NH1-O 3.29Å; R248-L252 PolarHBondContact O-N 2.96Å; Q249-L252 WeakPolarHBondContact O-CB 3.49Å; Q249-L252 WeakPolarHBondContact O-CG 3.32Å; Q249-L252 PolarHBondContact O-N 3.13Å; Q249-L252 VanDerWaalsContact OE1-CD1 3.32Å
253I88.8Confident87.8Confident43 Ų4327.3 Ų27.322%0.22113%0.131CC..EExtended strand (participates in β ladder)trans-97.5116.9178.8-59.1165.5000108.1T186 Y187T186-I253 WeakPolarHBondContact CA-O 3.2Å; Y187-I253 HydrophobicContact CD1-CB 4.2Å; Y187-I253 HydrophobicContact CD1-CG2 4.41Å; Y187-I253 HydrophobicContact CD2-CB 4.48Å; Y187-I253 HydrophobicContact CD2-CD1 4.45Å; Y187-I253 HydrophobicContact CE1-CB 3.78Å; Y187-I253 HydrophobicContact CE1-CG2 3.58Å; Y187-I253 HydrophobicContact CE2-CB 4.08Å; Y187-I253 HydrophobicContact CE2-CD1 3.66Å; Y187-I253 HydrophobicContact CE2-CG1 4.43Å; Y187-I253 HydrophobicContact CE2-CG2 4.41Å; Y187-I253 PolarHBondContact N-O 2.93Å; Y187-I253 PolarHBondContact O-N 3.4Å; Y187-I253 WeakPolarHBondContact OH-CG2 3.43Å
254A90.4Very high87.3Confident4 Ų428.5 Ų28.53%0.03314%0.135CC..EExtended strand (participates in β ladder)trans-77.8137.717100000110.3I165 K169 G185I165-A254 HydrophobicContact CB-CB 4.26Å; I165-A254 HydrophobicContact CG1-CB 3.62Å; I165-A254 HydrophobicContact CG2-CB 3.95Å; K169-A254 HydrophobicContact CB-CB 4.35Å; K169-A254 HydrophobicContact CD-CB 3.81Å; K169-A254 WeakPolarHBondContact CD-O 3.35Å; K169-A254 WeakPolarHBondContact CE-O 3.39Å; K169-A254 HydrophobicContact CG-CB 4.38Å; G185-A254 WeakPolarHBondContact O-CA 3.42Å
255Y90.6Very high86.9Confident9 Ų930.9 Ų30.94%0.03515%0.148CC..EExtended strand (participates in β ladder)trans-143.7168.2173.972.8-66.7000109.8G185 Y187 P257 Y264 S284 C286G185-Y255 VanDerWaalsContact C-CE1 3.48Å; G185-Y255 PolarHBondContact N-O 3.36Å; G185-Y255 WeakPolarHBondContact O-CD1 3.32Å; G185-Y255 PolarHBondContact O-N 3.35Å; Y187-Y255 AromaticContact CD1-CD1 3.46Å; Y187-Y255 HydrophobicContact CD1-CD1 3.46Å; Y187-Y255 VanDerWaalsContact CD1-CD1 3.46Å; Y187-Y255 AromaticContact CD1-CE1 3.73Å; Y187-Y255 HydrophobicContact CD1-CE1 3.73Å; Y187-Y255 HydrophobicContact CD1-CG 4.15Å; Y187-Y255 AromaticContact CE1-CD1 3.91Å; Y187-Y255 HydrophobicContact CE1-CD1 3.91Å; Y187-Y255 HydrophobicContact CE1-CG 4.18Å; Y255-P257 HydrophobicContact CD2-CG 4.44Å; Y255-P257 HydrophobicContact CE2-CB 4.27Å; Y255-P257 HydrophobicContact CE2-CG 3.83Å; Y255-P257 WeakPolarHBondContact O-CD 3.42Å; Y255-Y264 VanDerWaalsContact CB-CZ 3.47Å; Y255-Y264 WeakPolarHBondContact CB-OH 3.29Å; Y255-Y264 HydrophobicContact CD2-CD1 4.11Å; Y255-Y264 HydrophobicContact CD2-CD2 4.41Å; Y255-Y264 HydrophobicContact CD2-CE1 4.16Å; Y255-Y264 HydrophobicContact CD2-CE2 4.48Å; Y255-Y264 HydrophobicContact CD2-CG 4.24Å; Y255-Y264 HydrophobicContact CG-CE1 4.2Å; Y255-S284 VanDerWaalsContact CE2-OG 3.29Å; Y255-S284 WeakPolarHBondContact CE2-OG 3.17Å; Y255-C286 PolarHBondContact OH-O 3.07Å
256C90.7Very high86.6Confident0 Ų035.8 Ų35.80%017%0.165CC..  trans-102.4111.8170.6-58.10000107.6C174 K177 T180 C258C174-C256 WeakPolarHBondContact CA-SG 3.49Å; C174-C256 HydrophobicContact CB-CB 3.7Å; C174-C256 WeakPolarHBondContact CB-SG 3.5Å; C174-C256 WeakPolarHBondContact SG-CB 3.28Å; C174-C256 CovalentContact SG-SG 2.05Å; C174-C256 PolarHBondContact SG-SG 3.12Å; K177-C256 HydrophobicContact CD-CB 4.3Å; T180-C256 HydrophobicContact CG2-CB 3.74Å; C256-C258 PolarHBondContact O-N 3.43Å
257P88.4Confident86.2Confident0 Ų043.5 Ų43.50%020%0.204CC..PPolyproline II helixtrans-47.9134.2172.7-34.441.2000112.7T180 V181 F183 Y255 S284 A287T180-P257 VanDerWaalsContact CA-O 3.28Å; T180-P257 WeakPolarHBondContact CA-O 3.26Å; T180-P257 WeakPolarHBondContact CB-O 3.46Å; V181-P257 HydrophobicContact CG2-CB 4.15Å; V181-P257 WeakPolarHBondContact CG2-O 3.28Å; V181-P257 PolarHBondContact N-O 3.17Å; F183-P257 HydrophobicContact CD2-CG 4.43Å; F183-P257 HydrophobicContact CE1-CB 4.36Å; F183-P257 HydrophobicContact CE1-CG 4.45Å; F183-P257 HydrophobicContact CE2-CB 4.48Å; F183-P257 HydrophobicContact CE2-CG 3.75Å; F183-P257 HydrophobicContact CZ-CB 3.98Å; F183-P257 HydrophobicContact CZ-CG 3.74Å; F183-P257 VanDerWaalsContact O-CD 3.26Å; F183-P257 WeakPolarHBondContact O-CD 3.24Å; Y255-P257 HydrophobicContact CD2-CG 4.44Å; Y255-P257 HydrophobicContact CE2-CB 4.27Å; Y255-P257 HydrophobicContact CE2-CG 3.83Å; Y255-P257 WeakPolarHBondContact O-CD 3.42Å; P257-S284 WeakPolarHBondContact CA-O 3.33Å; P257-S284 WeakPolarHBondContact CB-O 3.49Å; P257-A287 HydrophobicContact CG-CB 3.94Å
258C87.2Confident85.9Confident0 Ų046.1 Ų46.10%022%0.223CC..BIsolated β-bridgetrans-81.3153.4176.4-58.70000111.5Y179 V181 C256 Y262 Y264 C271 S284 Y285Y179-C258 WeakPolarHBondContact O-CA 3.04Å; V181-C258 WeakPolarHBondContact CG2-O 3.49Å; C256-C258 PolarHBondContact O-N 3.43Å; C258-Y262 VanDerWaalsContact CB-O 3.31Å; C258-Y262 WeakPolarHBondContact CB-O 3.03Å; C258-Y264 VanDerWaalsContact SG-CA 3.52Å; C258-Y264 VanDerWaalsContact SG-CB 3.56Å; C258-Y264 PolarHBondContact SG-N 2.98Å; C258-C271 WeakPolarHBondContact CA-SG 3.46Å; C258-C271 HydrophobicContact CB-CB 3.86Å; C258-C271 WeakPolarHBondContact CB-SG 3.45Å; C258-C271 VanDerWaalsContact SG-CA 3.53Å; C258-C271 WeakPolarHBondContact SG-CB 3.5Å; C258-C271 CovalentContact SG-SG 2.03Å; C258-C271 PolarHBondContact SG-SG 3.2Å; C258-S284 PolarHBondContact N-OG 3.34Å; C258-S284 VanDerWaalsContact N-OG 3.09Å; C258-Y285 WeakPolarHBondContact O-CD2 3.46Å
259E83.9Confident85.7Confident86 Ų8645.8 Ų45.840%0.40223%0.225SC..PPolyproline II helixtrans-64.1157.9166.8-66170.2-150.100110.9Y179 K261 Y262Y179-E259 PolarHBondContact O-N 3.06Å; E259-K261 PolarHBondContact O-N 3.03Å; E259-Y262 HydrophobicContact CB-CD2 3.86Å; E259-Y262 HydrophobicContact CB-CE2 4.22Å; E259-Y262 PolarHBondContact O-N 2.6Å
260A73.7Confident85.7Confident29 Ų2946.2 Ų46.224%0.2423%0.231CC..THydrogen-bonded Turntrans-51.7-21.3-170.400000116.5Y285 L305A260-Y285 HydrophobicContact CB-CD2 4.05Å; A260-Y285 HydrophobicContact CB-CE2 3.89Å; A260-L305 HydrophobicContact CB-CD1 4.13Å; A260-L305 HydrophobicContact CB-CD2 3.73Å; A260-L305 HydrophobicContact CB-CG 4.39Å
261K74.4Confident85.6Confident126 Ų12646.6 Ų46.655%0.54823%0.234SC..THydrogen-bonded Turntrans-95.9-5-177.9-56.3-173.3-178.1-169.40114E259 H278E259-K261 PolarHBondContact O-N 3.03Å; K261-H278 WeakPolarHBondContact CE-CE1 3.32Å
262Y81.2Confident85.2Confident37 Ų3747.9 Ų47.915%0.14524%0.243CC..  trans-121.7143.4-170.7-56-93.9000110.8Y179 C258 E259 D273 S282Y179-Y262 HydrophobicContact CD1-CD1 4Å; Y179-Y262 HydrophobicContact CD1-CD2 4.46Å; Y179-Y262 AromaticContact CD1-CE1 3.26Å; Y179-Y262 HydrophobicContact CD1-CE1 3.26Å; Y179-Y262 AromaticContact CD1-CE2 3.78Å; Y179-Y262 HydrophobicContact CD1-CE2 3.78Å; Y179-Y262 AromaticContact CD1-CZ 3.12Å; Y179-Y262 WeakPolarHBondContact CD1-OH 3.01Å; Y179-Y262 AromaticContact CD2-CD1 3.83Å; Y179-Y262 HydrophobicContact CD2-CD1 3.83Å; Y179-Y262 AromaticContact CD2-CE1 3.74Å; Y179-Y262 HydrophobicContact CD2-CE1 3.74Å; Y179-Y262 AromaticContact CE1-CE1 3.63Å; Y179-Y262 HydrophobicContact CE1-CE1 3.63Å; Y179-Y262 AromaticContact CE1-CZ 3.64Å; Y179-Y262 VanDerWaalsContact CE1-OH 3.28Å; Y179-Y262 WeakPolarHBondContact CE1-OH 3.33Å; Y179-Y262 HydrophobicContact CE2-CD1 4.49Å; Y179-Y262 HydrophobicContact CE2-CE1 4.08Å; Y179-Y262 AromaticContact CG-CD1 3.53Å; Y179-Y262 HydrophobicContact CG-CD1 3.53Å; Y179-Y262 HydrophobicContact CG-CD2 4.27Å; Y179-Y262 AromaticContact CG-CE1 3.29Å; Y179-Y262 HydrophobicContact CG-CE1 3.29Å; Y179-Y262 HydrophobicContact CG-CE2 4.04Å; Y179-Y262 HydrophobicContact CG-CG 4.02Å; Y179-Y262 AromaticContact CG-CZ 3.56Å; C258-Y262 VanDerWaalsContact CB-O 3.31Å; C258-Y262 WeakPolarHBondContact CB-O 3.03Å; E259-Y262 HydrophobicContact CB-CD2 3.86Å; E259-Y262 HydrophobicContact CB-CE2 4.22Å; E259-Y262 PolarHBondContact O-N 2.6Å; Y262-D273 HydrophobicContact CD1-CB 3.91Å; Y262-D273 HydrophobicContact CE1-CB 3.77Å; Y262-S282 WeakPolarHBondContact O-CB 3.48Å; Y262-S282 PolarHBondContact O-OG 3.43Å
263I80.9Confident84.5Confident48 Ų4852 Ų5225%0.24627%0.265CS..EExtended strand (participates in β ladder)trans-102.7132.8-179.1-61.4177.7000108.5D265 C271 S272 I274I263-D265 PolarHBondContact O-N 3.47Å; I263-C271 WeakPolarHBondContact O-CA 3.39Å; I263-S272 PolarHBondContact N-O 2.78Å; I263-S272 VanDerWaalsContact N-O 3.13Å; I263-S272 PolarHBondContact O-N 2.81Å; I263-S272 PolarHBondContact O-OG 2.8Å; I263-I274 HydrophobicContact CB-CD1 4.29Å; I263-I274 HydrophobicContact CD1-CB 4.28Å; I263-I274 HydrophobicContact CD1-CD1 4.06Å
264Y84.2Confident83.5Confident25 Ų2554.2 Ų54.210%0.09828%0.276CS..EExtended strand (participates in β ladder)trans-75.7115.3173.9-178.8-116.9000110.6Y187 Y255 C258 R266 D269 S284Y187-Y264 HydrophobicContact CE1-CE1 4.26Å; Y255-Y264 VanDerWaalsContact CB-CZ 3.47Å; Y255-Y264 WeakPolarHBondContact CB-OH 3.29Å; Y255-Y264 HydrophobicContact CD2-CD1 4.11Å; Y255-Y264 HydrophobicContact CD2-CD2 4.41Å; Y255-Y264 HydrophobicContact CD2-CE1 4.16Å; Y255-Y264 HydrophobicContact CD2-CE2 4.48Å; Y255-Y264 HydrophobicContact CD2-CG 4.24Å; Y255-Y264 HydrophobicContact CG-CE1 4.2Å; C258-Y264 VanDerWaalsContact SG-CA 3.52Å; C258-Y264 VanDerWaalsContact SG-CB 3.56Å; C258-Y264 PolarHBondContact SG-N 2.98Å; Y264-R266 HydrophobicContact CD1-CG 4Å; Y264-R266 HydrophobicContact CE1-CB 4.42Å; Y264-R266 HydrophobicContact CE1-CG 3.96Å; Y264-D269 VanDerWaalsContact CE2-OD1 3.27Å; Y264-D269 WeakPolarHBondContact CE2-OD1 3.49Å; Y264-D269 PolarHBondContact OH-OD1 3.39Å; Y264-S284 VanDerWaalsContact CB-OG 3.27Å; Y264-S284 WeakPolarHBondContact CB-OG 3.36Å
265D84.9Confident82.1Confident60 Ų6063.9 Ų63.932%0.32132%0.318SS..EExtended strand (participates in β ladder)trans-85.1116.7168.7179.4-3.8000108.9I263 I267 S268 D269 T270I263-D265 PolarHBondContact O-N 3.47Å; D265-I267 VanDerWaalsContact C-N 3.29Å; D265-I267 PolarHBondContact O-N 2.96Å; D265-I267 WeakPolarHBondContact OD1-CB 3.12Å; D265-I267 PolarHBondContact OD1-N 3.11Å; D265-S268 VanDerWaalsContact CB-OG 3.25Å; D265-S268 WeakPolarHBondContact CB-OG 3.41Å; D265-S268 PolarHBondContact OD1-N 2.9Å; D265-S268 PolarHBondContact OD2-OG 3.27Å; D265-D269 WeakPolarHBondContact O-CA 3.23Å; D265-D269 PolarHBondContact O-N 3.1Å; D265-T270 PolarHBondContact N-O 2.69Å; D265-T270 PolarHBondContact O-N 3.07Å
266R83.6Confident80.4Confident150 Ų15065.3 Ų65.357%0.56634%0.335SS*.THydrogen-bonded Turntrans-72-22.7-178-56.8-177.6-168.8-174.72112.6Y264Y264-R266 HydrophobicContact CD1-CG 4Å; Y264-R266 HydrophobicContact CE1-CB 4.42Å; Y264-R266 HydrophobicContact CE1-CG 3.96Å
267I83.9Confident78.7Confident166 Ų16673.1 Ų73.185%0.85137%0.371SS*.THydrogen-bonded Turntrans-83.5-49.9-177.5-59173.6000109.7D265 D269D265-I267 VanDerWaalsContact C-N 3.29Å; D265-I267 PolarHBondContact O-N 2.96Å; D265-I267 WeakPolarHBondContact OD1-CB 3.12Å; D265-I267 PolarHBondContact OD1-N 3.11Å; I267-D269 PolarHBondContact O-N 3.34Å
268S87.1Confident77.2Confident55 Ų5578.5 Ų78.539%0.38540%0.396SS..THydrogen-bonded Turntrans-75.7-16.5175.866.20000112.6D265 T270D265-S268 VanDerWaalsContact CB-OG 3.25Å; D265-S268 WeakPolarHBondContact CB-OG 3.41Å; D265-S268 PolarHBondContact OD1-N 2.9Å; D265-S268 PolarHBondContact OD2-OG 3.27Å; S268-T270 VanDerWaalsContact C-N 3.27Å; S268-T270 WeakPolarHBondContact CB-OG1 3.4Å; S268-T270 PolarHBondContact O-N 3.45Å; S268-T270 PolarHBondContact OG-N 3.48Å; S268-T270 PolarHBondContact OG-OG1 3.21Å
269D87.7Confident75.9Confident48 Ų4878.7 Ų78.726%0.25740%0.398SS..THydrogen-bonded Turntrans49.351.8-166.7178.830.3000109.8K169 K177 Y264 D265 I267K169-D269 IonicContact NZ-OD1 2.84Å; K169-D269 IonicContact NZ-OD2 2.63Å; K169-D269 PolarHBondContact NZ-OD2 3.19Å; K177-D269 WeakPolarHBondContact CE-O 3.47Å; K177-D269 PolarHBondContact NZ-O 2.88Å; K177-D269 IonicContact NZ-OD1 2.95Å; K177-D269 PolarHBondContact NZ-OD1 3.44Å; Y264-D269 VanDerWaalsContact CE2-OD1 3.27Å; Y264-D269 WeakPolarHBondContact CE2-OD1 3.49Å; Y264-D269 PolarHBondContact OH-OD1 3.39Å; D265-D269 WeakPolarHBondContact O-CA 3.23Å; D265-D269 PolarHBondContact O-N 3.1Å; I267-D269 PolarHBondContact O-N 3.34Å
270T88.2Confident75.1Confident62 Ų6275.9 Ų75.938%0.3839%0.388SS..EExtended strand (participates in β ladder)trans-140160.4176.861.20000111.9D265 S268D265-T270 PolarHBondContact N-O 2.69Å; D265-T270 PolarHBondContact O-N 3.07Å; S268-T270 VanDerWaalsContact C-N 3.27Å; S268-T270 WeakPolarHBondContact CB-OG1 3.4Å; S268-T270 PolarHBondContact O-N 3.45Å; S268-T270 PolarHBondContact OG-N 3.48Å; S268-T270 PolarHBondContact OG-OG1 3.21Å
271C87.9Confident74.4Confident8 Ų881.8 Ų81.85%0.05441%0.405CS..EExtended strand (participates in β ladder)trans-89.3118.7170.5-64.80000108.2C258 I263C258-C271 WeakPolarHBondContact CA-SG 3.46Å; C258-C271 HydrophobicContact CB-CB 3.86Å; C258-C271 WeakPolarHBondContact CB-SG 3.45Å; C258-C271 VanDerWaalsContact SG-CA 3.53Å; C258-C271 WeakPolarHBondContact SG-CB 3.5Å; C258-C271 CovalentContact SG-SG 2.03Å; C258-C271 PolarHBondContact SG-SG 3.2Å; I263-C271 WeakPolarHBondContact O-CA 3.39Å
272S83.5Confident73.5Confident33 Ų3376 Ų7623%0.23138%0.381CS..EExtended strand (participates in β ladder)trans-98.613917959.60000111.4I263 I274I263-S272 PolarHBondContact N-O 2.78Å; I263-S272 VanDerWaalsContact N-O 3.13Å; I263-S272 PolarHBondContact O-N 2.81Å; I263-S272 PolarHBondContact O-OG 2.8Å; S272-I274 PolarHBondContact O-N 2.92Å; S272-I274 VanDerWaalsContact O-N 3.16Å
273D73.4Confident72.6Confident102 Ų10279.5 Ų79.555%0.54540%0.402SS..  trans-78.988.5169-171.9-0.5000108.8Y262Y262-D273 HydrophobicContact CD1-CB 3.91Å; Y262-D273 HydrophobicContact CE1-CB 3.77Å
274I68.2Low72.3Confident90 Ų9077.7 Ų77.746%0.46239%0.393SS..  trans-94.5125.4166.7-61.1173.3000105I263 S272 G276I263-I274 HydrophobicContact CB-CD1 4.29Å; I263-I274 HydrophobicContact CD1-CB 4.28Å; I263-I274 HydrophobicContact CD1-CD1 4.06Å; S272-I274 PolarHBondContact O-N 2.92Å; S272-I274 VanDerWaalsContact O-N 3.16Å; I274-G276 PolarHBondContact O-N 3.05Å
275K60.3Low72.2Confident208 Ų20878.3 Ų78.390%0.90440%0.396SS*.  trans-67.753.3176.7-65.1-173.9178.6-178.30112.4
276G55.6Low72.2Confident39 Ų3975.5 Ų75.540%0.40238%0.381SS..  trans-84.6146.6170.500000110.3I274I274-G276 PolarHBondContact O-N 3.05Å
277E55Low72.3Confident163 Ų16368.3 Ų68.376%0.76235%0.354SS*.  trans-55.1144.7170.5-67.7173.416400110.5G279E277-G279 PolarHBondContact O-N 2.63Å
278H55.6Low72.4Confident114 Ų11461.6 Ų61.653%0.52832%0.319SS..SBendtrans-52.399.9178.9-64-47.2000111K261K261-H278 WeakPolarHBondContact CE-CE1 3.32Å
279G61.6Low72.1Confident4 Ų461.4 Ų61.44%0.04133%0.326CS..SBendtrans-161163.8-175.900000112.2E277 Y281E277-G279 PolarHBondContact O-N 2.63Å; G279-Y281 PolarHBondContact O-N 3.35Å
280C65.9Low72.1Confident26 Ų2659.6 Ų59.618%0.17632%0.319CS..THydrogen-bonded Turntrans-66.931.5176.7-69.40000114.7S282 C292 V293C280-S282 PolarHBondContact O-N 2.86Å; C280-C292 WeakPolarHBondContact CA-SG 3.45Å; C280-C292 HydrophobicContact CB-CB 3.5Å; C280-C292 WeakPolarHBondContact CB-SG 3.31Å; C280-C292 WeakPolarHBondContact SG-CB 3.3Å; C280-C292 PolarHBondContact SG-O 3.2Å; C280-C292 CovalentContact SG-SG 2.05Å; C280-C292 PolarHBondContact SG-SG 3.12Å; C280-V293 VanDerWaalsContact SG-CA 3.57Å; C280-V293 PolarHBondContact SG-N 3.05Å
281Y59.6Low72Confident154 Ų15460.3 Ų60.360%0.60432%0.323SS*.THydrogen-bonded Turntrans-66.6-21.4172.5-63.4-69.4000112.1G279G279-Y281 PolarHBondContact O-N 3.35Å
282S55.9Low71.7Confident5 Ų560.4 Ų60.44%0.03532%0.324CS..  trans-99.588.3172.8-165.30000109.2Y262 C280 S284 Y285Y262-S282 WeakPolarHBondContact O-CB 3.48Å; Y262-S282 PolarHBondContact O-OG 3.43Å; C280-S282 PolarHBondContact O-N 2.86Å; S282-S284 PolarHBondContact O-N 3.18Å; S282-S284 WeakPolarHBondContact OG-CB 3.28Å; S282-Y285 PolarHBondContact O-N 3.33Å
283D62.5Low71.8Confident110 Ų11060.9 Ų60.959%0.58833%0.325SS*.THydrogen-bonded Turntrans-53.9-13.2164.1-73.1-31.8000111.8Y285D283-Y285 VanDerWaalsContact C-N 3.34Å
284S73.8Confident71.7Confident10 Ų1060.9 Ų60.97%0.0732%0.322CS..THydrogen-bonded Turntrans-72.3-17.1172.61650000114.9Y255 P257 C258 Y264 S282 C286Y255-S284 VanDerWaalsContact CE2-OG 3.29Å; Y255-S284 WeakPolarHBondContact CE2-OG 3.17Å; P257-S284 WeakPolarHBondContact CA-O 3.33Å; P257-S284 WeakPolarHBondContact CB-O 3.49Å; C258-S284 PolarHBondContact N-OG 3.34Å; C258-S284 VanDerWaalsContact N-OG 3.09Å; Y264-S284 VanDerWaalsContact CB-OG 3.27Å; Y264-S284 WeakPolarHBondContact CB-OG 3.36Å; S282-S284 PolarHBondContact O-N 3.18Å; S282-S284 WeakPolarHBondContact OG-CB 3.28Å; S284-C286 VanDerWaalsContact C-N 3.26Å; S284-C286 PolarHBondContact O-N 3.3Å
285Y81.6Confident71.6Confident37 Ų3760.8 Ų60.815%0.14532%0.323CS..SBendtrans-64-35.6-179177.9-105.7000112.1C258 A260 S282 D283 L305 C307 Q317C258-Y285 WeakPolarHBondContact O-CD2 3.46Å; A260-Y285 HydrophobicContact CB-CD2 4.05Å; A260-Y285 HydrophobicContact CB-CE2 3.89Å; S282-Y285 PolarHBondContact O-N 3.33Å; D283-Y285 VanDerWaalsContact C-N 3.34Å; Y285-L305 HydrophobicContact CD1-CB 4Å; Y285-L305 HydrophobicContact CD1-CD2 4.17Å; Y285-L305 HydrophobicContact CE1-CB 3.8Å; Y285-L305 HydrophobicContact CG-CD2 4.22Å; Y285-C307 VanDerWaalsContact CD1-SG 3.5Å; Y285-Q317 HydrophobicContact CE1-CG 3.98Å; Y285-Q317 HydrophobicContact CE2-CG 4.3Å; Y285-Q317 VanDerWaalsContact CZ-NE2 3.33Å
286C86.4Confident71.6Confident1 Ų158.2 Ų58.21%0.00732%0.318CS..SBendtrans-95.5135.8177.3-540000109.9Y255 S284 G290 C292 C307Y255-C286 PolarHBondContact OH-O 3.07Å; S284-C286 VanDerWaalsContact C-N 3.26Å; S284-C286 PolarHBondContact O-N 3.3Å; C286-G290 WeakPolarHBondContact CB-O 3.21Å; C286-C292 VanDerWaalsContact SG-CA 3.53Å; C286-C307 WeakPolarHBondContact CA-SG 3.21Å; C286-C307 HydrophobicContact CB-CB 3.73Å; C286-C307 WeakPolarHBondContact CB-SG 3.2Å; C286-C307 WeakPolarHBondContact SG-CA 3.42Å; C286-C307 WeakPolarHBondContact SG-CB 3.34Å; C286-C307 CovalentContact SG-SG 2.03Å; C286-C307 PolarHBondContact SG-SG 2.99Å
287A85.1Confident71.6Confident0 Ų058.5 Ų58.50%032%0.32CS..  trans-95.2169.7-179.700000112.9F183 P257 G289 G290 Q317 C318F183-A287 HydrophobicContact CD2-CB 4.49Å; F183-A287 HydrophobicContact CE2-CB 3.31Å; F183-A287 HydrophobicContact CZ-CB 3.74Å; P257-A287 HydrophobicContact CG-CB 3.94Å; A287-G289 PolarHBondContact O-N 3.32Å; A287-G289 VanDerWaalsContact O-N 3.09Å; A287-G290 PolarHBondContact O-N 2.99Å; A287-Q317 WeakPolarHBondContact CB-O 3.43Å; A287-Q317 PolarHBondContact N-O 3.37Å; A287-C318 WeakPolarHBondContact O-CB 3.02Å
288N85Confident71.3Confident24 Ų2459 Ų5913%0.12833%0.325CS..THydrogen-bonded Turntrans54.234.5169.8-60.5-42.3000113.6T186 P310 F313 C318T186-N288 PolarHBondContact OG1-OD1 3.22Å; N288-P310 WeakPolarHBondContact O-CG 3.35Å; N288-F313 HydrophobicContact CB-CD1 3.56Å; N288-F313 HydrophobicContact CB-CD2 3.87Å; N288-F313 HydrophobicContact CB-CE1 3.55Å; N288-F313 HydrophobicContact CB-CE2 3.87Å; N288-F313 HydrophobicContact CB-CG 3.72Å; N288-F313 HydrophobicContact CB-CZ 3.71Å; N288-F313 WeakPolarHBondContact ND2-CD1 3.44Å; N288-C318 PolarHBondContact ND2-O 3.02Å
289G81.2Confident71Confident52 Ų5259.8 Ų59.854%0.53633%0.333SS..THydrogen-bonded Turntrans79.416.4-177.600000115A287A287-G289 PolarHBondContact O-N 3.32Å; A287-G289 VanDerWaalsContact O-N 3.09Å
290G87.4Confident70.4Confident9 Ų968.2 Ų68.29%0.09337%0.371CS..PPolyproline II helixtrans-62.2143.4172.100000112.4C286 A287 Q308C286-G290 WeakPolarHBondContact CB-O 3.21Å; A287-G290 PolarHBondContact O-N 2.99Å; G290-Q308 VanDerWaalsContact CA-O 3.31Å; G290-Q308 WeakPolarHBondContact CA-O 3.4Å
291T86.1Confident69.5Low77 Ų7775.1 Ų75.147%0.47241%0.405SS..EExtended strand (participates in β ladder)trans-98.5124.4177.3-56.40000109.4Q308T291-Q308 PolarHBondContact N-O 3.39Å; T291-Q308 PolarHBondContact O-N 3.22Å
292C82.9Confident69Low11 Ų1175.5 Ų75.57%0.07441%0.412CS..EExtended strand (participates in β ladder)trans-78128.5175.7-176.90000110.1C280 C286C280-C292 WeakPolarHBondContact CA-SG 3.45Å; C280-C292 HydrophobicContact CB-CB 3.5Å; C280-C292 WeakPolarHBondContact CB-SG 3.31Å; C280-C292 WeakPolarHBondContact SG-CB 3.3Å; C280-C292 PolarHBondContact SG-O 3.2Å; C280-C292 CovalentContact SG-SG 2.05Å; C280-C292 PolarHBondContact SG-SG 3.12Å; C286-C292 VanDerWaalsContact SG-CA 3.53Å
293V83.7Confident68.7Low42 Ų4278.5 Ų78.526%0.25543%0.434SS..EExtended strand (participates in β ladder)trans-123.1140.9170.2-60.10000110.3C280 N295 L306 Q308C280-V293 VanDerWaalsContact SG-CA 3.57Å; C280-V293 PolarHBondContact SG-N 3.05Å; V293-N295 PolarHBondContact O-N 3.42Å; V293-L306 HydrophobicContact CG2-CB 4Å; V293-L306 HydrophobicContact CG2-CD2 4.35Å; V293-L306 HydrophobicContact CG2-CG 4.33Å; V293-L306 WeakPolarHBondContact CG2-O 3.46Å; V293-L306 PolarHBondContact N-O 2.79Å; V293-L306 PolarHBondContact O-N 3.2Å; V293-Q308 HydrophobicContact CG1-CG 4.19Å; V293-Q308 HydrophobicContact CG2-CG 4.09Å
294Q72.3Confident68.8Low102 Ų10274.7 Ų74.748%0.47742%0.42SS..EExtended strand (participates in β ladder)trans-77.8120.6174.2-68.4179.17.900109L296Q294-L296 PolarHBondContact O-N 3.11Å
295N66.7Low68.8Low89 Ų8975.2 Ų75.248%0.47642%0.422SS..  trans-79.8104.8171.2-167.3-5.8000109.2V293 G297 G304V293-N295 PolarHBondContact O-N 3.42Å; N295-G297 PolarHBondContact O-N 3.45Å; N295-G297 VanDerWaalsContact O-N 3.16Å; N295-G297 PolarHBondContact OD1-N 2.98Å; N295-G304 WeakPolarHBondContact CB-O 3.31Å; N295-G304 PolarHBondContact N-O 3.39Å
296L59.2Low68.9Low154 Ų15477.8 Ų77.881%0.80644%0.438SS*.  trans-77.215.1177.3-69.5166.5000113.2Q294 M298Q294-L296 PolarHBondContact O-N 3.11Å; L296-M298 PolarHBondContact O-N 3.25Å
297G55.4Low69Low44 Ų4478.2 Ų78.245%0.45444%0.441SS..  trans-66.890-178.300000113.6N295 N299N295-G297 PolarHBondContact O-N 3.45Å; N295-G297 VanDerWaalsContact O-N 3.16Å; N295-G297 PolarHBondContact OD1-N 2.98Å; G297-N299 PolarHBondContact O-N 3.02Å
298M50Low69.2Low175 Ų17583.6 Ų83.686%0.86247%0.466SS*.SBendtrans31.1-17.9156.3-61.1-63.2-79.500123.2L296L296-M298 PolarHBondContact O-N 3.25Å
299N47.6Very low69.6Low129 Ų12984.4 Ų84.469%0.6947%0.473SS*.  trans-100.197.1172.7-73-16.6000108.4G297 L301 E302G297-N299 PolarHBondContact O-N 3.02Å; N299-L301 PolarHBondContact O-N 3.41Å; N299-E302 CarbonylContact O-C 3.5Å; N299-E302 PolarHBondContact O-N 2.92Å
300H49.9Very low70.1Confident182 Ų18282.7 Ų82.784%0.84345%0.452SS*.G310 helixtrans-47.4-14.7175.6-77.8-71.9000115.4
301L47.4Very low70.3Confident171 Ų17184.1 Ų84.190%0.89546%0.46SS*.G310 helixtrans-82.6-24.1-178.9-161.562.3000113.7N299N299-L301 PolarHBondContact O-N 3.41Å
302E48.6Very low70.5Confident161 Ų16180.5 Ų80.575%0.75244%0.438SS*.G310 helixtrans-133.772.9171.5-70.7-177.7-176.800107.8N299 G304N299-E302 CarbonylContact O-C 3.5Å; N299-E302 PolarHBondContact O-N 2.92Å; E302-G304 PolarHBondContact O-N 3.25Å
303S50.2Low71Confident69 Ų6981.2 Ų81.248%0.48344%0.44SS..  trans-63.671.2154.7-58.30000107.4L305S303-L305 PolarHBondContact O-N 3.29Å
304G64.6Low71.5Confident30 Ų3084.4 Ų84.431%0.30945%0.45SS..  trans-72.4114.7-169.700000108.2N295 E302 L306N295-G304 WeakPolarHBondContact CB-O 3.31Å; N295-G304 PolarHBondContact N-O 3.39Å; E302-G304 PolarHBondContact O-N 3.25Å; G304-L306 PolarHBondContact O-N 3.15Å
305L74.2Confident72.3Confident21 Ų2181.2 Ų81.211%0.1145%0.445CS..EExtended strand (participates in β ladder)trans-58.1128165.8-80.366.7000107.5A260 Y285 S303A260-L305 HydrophobicContact CB-CD1 4.13Å; A260-L305 HydrophobicContact CB-CD2 3.73Å; A260-L305 HydrophobicContact CB-CG 4.39Å; Y285-L305 HydrophobicContact CD1-CB 4Å; Y285-L305 HydrophobicContact CD1-CD2 4.17Å; Y285-L305 HydrophobicContact CE1-CB 3.8Å; Y285-L305 HydrophobicContact CG-CD2 4.22Å; S303-L305 PolarHBondContact O-N 3.29Å
306L83.9Confident73.3Confident90 Ų9081.7 Ų81.747%0.47145%0.451SS..EExtended strand (participates in β ladder)trans-112.7134.3176.6176.566.2000108.9V293 G304V293-L306 HydrophobicContact CG2-CB 4Å; V293-L306 HydrophobicContact CG2-CD2 4.35Å; V293-L306 HydrophobicContact CG2-CG 4.33Å; V293-L306 WeakPolarHBondContact CG2-O 3.46Å; V293-L306 PolarHBondContact N-O 2.79Å; V293-L306 PolarHBondContact O-N 3.2Å; G304-L306 PolarHBondContact O-N 3.15Å
307C87.5Confident74.6Confident11 Ų1175.1 Ų75.17%0.07442%0.416CS..EExtended strand (participates in β ladder)trans-93.8123173.1-66.50000111.1Y285 C286 C309 T316Y285-C307 VanDerWaalsContact CD1-SG 3.5Å; C286-C307 WeakPolarHBondContact CA-SG 3.21Å; C286-C307 HydrophobicContact CB-CB 3.73Å; C286-C307 WeakPolarHBondContact CB-SG 3.2Å; C286-C307 WeakPolarHBondContact SG-CA 3.42Å; C286-C307 WeakPolarHBondContact SG-CB 3.34Å; C286-C307 CovalentContact SG-SG 2.03Å; C286-C307 PolarHBondContact SG-SG 2.99Å; C307-C309 PolarHBondContact O-N 3.21Å; C307-T316 WeakPolarHBondContact CB-O 3.11Å
308Q90.1Very high76.3Confident113 Ų11373 Ų7353%0.52840%0.395SS..EExtended strand (participates in β ladder)trans-83.6104.7165.5-66.9-177.9-22.700108.4G290 T291 V293G290-Q308 VanDerWaalsContact CA-O 3.31Å; G290-Q308 WeakPolarHBondContact CA-O 3.4Å; T291-Q308 PolarHBondContact N-O 3.39Å; T291-Q308 PolarHBondContact O-N 3.22Å; V293-Q308 HydrophobicContact CG1-CG 4.19Å; V293-Q308 HydrophobicContact CG2-CG 4.09Å
309C91.6Very high78Confident40 Ų4066.4 Ų66.427%0.2736%0.362SS..  trans-82142.3-176.5-560000112.1C307 F313 C318C307-C309 PolarHBondContact O-N 3.21Å; C309-F313 HydrophobicContact CB-CB 4.46Å; C309-C318 WeakPolarHBondContact CA-SG 3.25Å; C309-C318 HydrophobicContact CB-CB 3.71Å; C309-C318 WeakPolarHBondContact CB-SG 3.46Å; C309-C318 WeakPolarHBondContact SG-CA 3.32Å; C309-C318 WeakPolarHBondContact SG-CB 3.44Å; C309-C318 CovalentContact SG-SG 2.03Å; C309-C318 PolarHBondContact SG-SG 3.45Å
310P92Very high80Confident16 Ų1667 Ų6710%0.10436%0.355CS..  trans-59.8150.1165-17.931.6000109.2N288 A312 F313N288-P310 WeakPolarHBondContact O-CG 3.35Å; P310-A312 PolarHBondContact O-N 3.36Å; P310-F313 HydrophobicContact CB-CD2 4.13Å; P310-F313 HydrophobicContact CG-CD2 4.28Å; P310-F313 PolarHBondContact O-N 3.2Å
311P92.2Very high81.9Confident40 Ų4063.9 Ų63.926%0.2634%0.341SS..THydrogen-bonded Turntrans-60.6-21.7-168.5-25.633.8000115.1F313 R322 P324 L343 E344 Y345P311-F313 PolarHBondContact O-N 3.01Å; P311-R322 WeakPolarHBondContact O-CD 3.48Å; P311-P324 VanDerWaalsContact O-CG 3.31Å; P311-P324 WeakPolarHBondContact O-CG 3.43Å; P311-L343 VanDerWaalsContact CD-O 3.31Å; P311-L343 WeakPolarHBondContact CD-O 3.25Å; P311-E344 WeakPolarHBondContact CG-O 3.09Å; P311-Y345 VanDerWaalsContact CB-C 3.44Å; P311-Y345 VanDerWaalsContact CB-O 3.23Å; P311-Y345 WeakPolarHBondContact CB-O 3.39Å
312A91.4Very high84Confident1 Ų159.3 Ų59.31%0.00831%0.312CS..THydrogen-bonded Turntrans-80.33.9176.100000114.3P310 R322 R338 P340P310-A312 PolarHBondContact O-N 3.36Å; A312-R322 CarbonylContact C-O 3.34Å; A312-R322 PolarHBondContact O-N 2.94Å; A312-R338 PolarHBondContact O-NE 3.49Å; A312-R338 PolarHBondContact O-NH2 2.92Å; A312-P340 HydrophobicContact CB-CB 4.14Å; A312-P340 HydrophobicContact CB-CG 4.34Å
313F93.5Very high86Confident25 Ų2554.3 Ų54.311%0.1129%0.29CS..EExtended strand (participates in β ladder)trans-133.7158-178.3-59-82000111.7N288 C309 P310 P311 C318 Y320 P340N288-F313 HydrophobicContact CB-CD1 3.56Å; N288-F313 HydrophobicContact CB-CD2 3.87Å; N288-F313 HydrophobicContact CB-CE1 3.55Å; N288-F313 HydrophobicContact CB-CE2 3.87Å; N288-F313 HydrophobicContact CB-CG 3.72Å; N288-F313 HydrophobicContact CB-CZ 3.71Å; N288-F313 WeakPolarHBondContact ND2-CD1 3.44Å; C309-F313 HydrophobicContact CB-CB 4.46Å; P310-F313 HydrophobicContact CB-CD2 4.13Å; P310-F313 HydrophobicContact CG-CD2 4.28Å; P310-F313 PolarHBondContact O-N 3.2Å; P311-F313 PolarHBondContact O-N 3.01Å; F313-C318 HydrophobicContact CB-CB 4.2Å; F313-Y320 CarbonylContact C-O 3.58Å; F313-Y320 WeakPolarHBondContact CA-O 3.37Å; F313-P340 HydrophobicContact CE2-CB 4.12Å; F313-P340 HydrophobicContact CZ-CB 4Å
314K93Very high87.9Confident109 Ų10951.1 Ų51.147%0.47427%0.268SS..EExtended strand (participates in β ladder)trans-148.7173.2178.767.4-177.8-178.8-178.50111.2C318 E319 Y320 E321 R322K314-C318 CarbonylContact O-C 3.54Å; K314-C318 WeakPolarHBondContact O-CA 3.49Å; K314-E319 PolarHBondContact O-N 3.12Å; K314-Y320 PolarHBondContact N-O 3.48Å; K314-Y320 PolarHBondContact O-N 2.92Å; K314-E321 WeakPolarHBondContact CE-O 3.47Å; K314-R322 HydrophobicContact CB-CB 3.99Å; K314-R322 HydrophobicContact CB-CG 4.39Å; K314-R322 HydrophobicContact CD-CB 4.19Å; K314-R322 HydrophobicContact CD-CG 4.38Å; K314-R322 HydrophobicContact CG-CB 4.07Å
315G89.9Confident89.1Confident35 Ų3551.1 Ų51.136%0.36126%0.263SS..SBendtrans108.7171.7-17600000110.9Q317 E319G315-Q317 PolarHBondContact O-N 3.41Å; G315-E319 WeakPolarHBondContact CA-OE1 3.06Å; G315-E319 VanDerWaalsContact CA-OE2 3.31Å; G315-E319 WeakPolarHBondContact CA-OE2 3.34Å
316T86.5Confident89.8Confident99 Ų9957.5 Ų57.561%0.60729%0.292SS*.THydrogen-bonded Turntrans-68.7-20.7-179.249.50000111.9C307 E319C307-T316 WeakPolarHBondContact CB-O 3.11Å; T316-E319 PolarHBondContact N-OE2 2.79Å
317Q87.3Confident89.9Confident16 Ų1656.7 Ų56.78%0.07529%0.288CS..THydrogen-bonded Turntrans-130.118.4-177.4-62.8169.6-68.300112F183 Y285 A287 G315 E319F183-Q317 HydrophobicContact CE1-CB 4.04Å; F183-Q317 HydrophobicContact CZ-CB 3.81Å; Y285-Q317 HydrophobicContact CE1-CG 3.98Å; Y285-Q317 HydrophobicContact CE2-CG 4.3Å; Y285-Q317 VanDerWaalsContact CZ-NE2 3.33Å; A287-Q317 WeakPolarHBondContact CB-O 3.43Å; A287-Q317 PolarHBondContact N-O 3.37Å; G315-Q317 PolarHBondContact O-N 3.41Å; Q317-E319 WeakPolarHBondContact CA-OE2 3.45Å; Q317-E319 PolarHBondContact N-OE2 3.06Å; Q317-E319 PolarHBondContact O-N 3.23Å
318C90.2Very high89.5Confident0 Ų066 Ų660%033%0.331CS..SBendtrans60.427.5-179.4-41.70000113.6A287 N288 C309 F313 K314A287-C318 WeakPolarHBondContact O-CB 3.02Å; N288-C318 PolarHBondContact ND2-O 3.02Å; C309-C318 WeakPolarHBondContact CA-SG 3.25Å; C309-C318 HydrophobicContact CB-CB 3.71Å; C309-C318 WeakPolarHBondContact CB-SG 3.46Å; C309-C318 WeakPolarHBondContact SG-CA 3.32Å; C309-C318 WeakPolarHBondContact SG-CB 3.44Å; C309-C318 CovalentContact SG-SG 2.03Å; C309-C318 PolarHBondContact SG-SG 3.45Å; F313-C318 HydrophobicContact CB-CB 4.2Å; K314-C318 CarbonylContact O-C 3.54Å; K314-C318 WeakPolarHBondContact O-CA 3.49Å
319E87.3Confident89.1Confident36 Ų3662.2 Ų62.217%0.16832%0.315CS..  trans-74.1-25.2-17368.2-82.3-166.400113.6F183 K314 G315 T316 Q317F183-E319 HydrophobicContact CD1-CB 3.95Å; F183-E319 HydrophobicContact CD2-CB 3.46Å; F183-E319 VanDerWaalsContact CD2-CB 3.46Å; F183-E319 HydrophobicContact CE1-CB 3.77Å; F183-E319 HydrophobicContact CE2-CB 3.24Å; F183-E319 HydrophobicContact CG-CB 3.82Å; F183-E319 HydrophobicContact CZ-CB 3.43Å; F183-E319 VanDerWaalsContact CZ-CB 3.43Å; K314-E319 PolarHBondContact O-N 3.12Å; G315-E319 WeakPolarHBondContact CA-OE1 3.06Å; G315-E319 VanDerWaalsContact CA-OE2 3.31Å; G315-E319 WeakPolarHBondContact CA-OE2 3.34Å; T316-E319 PolarHBondContact N-OE2 2.79Å; Q317-E319 WeakPolarHBondContact CA-OE2 3.45Å; Q317-E319 PolarHBondContact N-OE2 3.06Å; Q317-E319 PolarHBondContact O-N 3.23Å
320Y89.3Confident88.6Confident143 Ų14361.6 Ų61.656%0.56132%0.316SS*.EExtended strand (participates in β ladder)trans-105.8147.8-176.2-58.1-60.3000111.8F313 K314F313-Y320 CarbonylContact C-O 3.58Å; F313-Y320 WeakPolarHBondContact CA-O 3.37Å; K314-Y320 PolarHBondContact N-O 3.48Å; K314-Y320 PolarHBondContact O-N 2.92Å
321E89.4Confident88.3Confident116 Ų11660.9 Ų60.954%0.54231%0.311SS..EExtended strand (participates in β ladder)trans-67.4134.3169.1-57-159.6128.100110.6K314 R338K314-E321 WeakPolarHBondContact CE-O 3.47Å; E321-R338 VanDerWaalsContact CD-NH1 3.26Å; E321-R338 IonicContact OE1-CZ 3.55Å; E321-R338 IonicContact OE1-NH1 3.13Å; E321-R338 PolarHBondContact OE1-NH1 2.9Å; E321-R338 IonicContact OE1-NH2 3.95Å; E321-R338 PolarHBondContact OE1-NH2 2.93Å; E321-R338 IonicContact OE2-NH1 3.36Å
322R92.1Very high87.9Confident74 Ų7463 Ų6328%0.27933%0.332SS..  trans-109.8140168.7-174.8178.4-176.8-73.7-6.9107.8P311 A312 K314 P324 D327 R338P311-R322 WeakPolarHBondContact O-CD 3.48Å; A312-R322 CarbonylContact C-O 3.34Å; A312-R322 PolarHBondContact O-N 2.94Å; K314-R322 HydrophobicContact CB-CB 3.99Å; K314-R322 HydrophobicContact CB-CG 4.39Å; K314-R322 HydrophobicContact CD-CB 4.19Å; K314-R322 HydrophobicContact CD-CG 4.38Å; K314-R322 HydrophobicContact CG-CB 4.07Å; R322-P324 VanDerWaalsContact O-CD 3.3Å; R322-P324 WeakPolarHBondContact O-CD 3.04Å; R322-D327 IonicContact CZ-OD1 3.26Å; R322-D327 IonicContact CZ-OD2 3.13Å; R322-D327 IonicContact NH1-OD2 3.04Å; R322-D327 PolarHBondContact NH1-OD2 3.42Å; R322-D327 IonicContact NH2-OD1 3.83Å; R322-D327 PolarHBondContact NH2-OD1 2.96Å; R322-D327 IonicContact NH2-OD2 3Å; R322-D327 PolarHBondContact NH2-OD2 2.82Å; R322-R338 VanDerWaalsContact O-CD 3.32Å; R322-R338 WeakPolarHBondContact O-CD 3.4Å; R322-R338 PolarHBondContact O-NE 3.15Å
323N89.7Confident87.7Confident56 Ų5668.6 Ų68.630%0.29937%0.368SS..  trans-105.197.8172.5-177.813.6000109.1C325 E326N323-C325 PolarHBondContact O-N 3.28Å; N323-C325 VanDerWaalsContact O-N 3.11Å; N323-C325 WeakPolarHBondContact OD1-CB 3.49Å; N323-C325 PolarHBondContact OD1-N 3.35Å; N323-E326 HydrophobicContact CB-CG 4.35Å; N323-E326 PolarHBondContact ND2-OE1 3.3Å; N323-E326 PolarHBondContact O-N 3.4Å; N323-E326 VanDerWaalsContact O-N 3.16Å
324P90.8Very high87.5Confident2 Ų269.7 Ų69.71%0.01337%0.373CS..G310 helixtrans-62.8-16.8179.4-24.836.9000114.3P311 R322 E326 D327 V329 F347P311-P324 VanDerWaalsContact O-CG 3.31Å; P311-P324 WeakPolarHBondContact O-CG 3.43Å; R322-P324 VanDerWaalsContact O-CD 3.3Å; R322-P324 WeakPolarHBondContact O-CD 3.04Å; P324-E326 PolarHBondContact O-N 3.38Å; P324-D327 WeakPolarHBondContact O-CB 3.47Å; P324-D327 PolarHBondContact O-N 3.03Å; P324-V329 VanDerWaalsContact O-CG1 3.3Å; P324-V329 WeakPolarHBondContact O-CG1 3.06Å; P324-F347 HydrophobicContact CB-CB 4.16Å; P324-F347 HydrophobicContact CB-CD1 3.48Å; P324-F347 VanDerWaalsContact CB-CD1 3.48Å; P324-F347 HydrophobicContact CB-CE1 4.24Å; P324-F347 HydrophobicContact CB-CG 4.2Å; P324-F347 HydrophobicContact CG-CD1 4.33Å
325C89.9Confident87.3Confident31 Ų3167.9 Ų67.921%0.20937%0.372CS..G310 helixtrans-72-9.6177.6-60.50000113.8N323 D327 C336 V337N323-C325 PolarHBondContact O-N 3.28Å; N323-C325 VanDerWaalsContact O-N 3.11Å; N323-C325 WeakPolarHBondContact OD1-CB 3.49Å; N323-C325 PolarHBondContact OD1-N 3.35Å; C325-D327 VanDerWaalsContact C-N 3.33Å; C325-C336 WeakPolarHBondContact CA-SG 3.43Å; C325-C336 HydrophobicContact CB-CB 3.57Å; C325-C336 WeakPolarHBondContact CB-SG 3.24Å; C325-C336 WeakPolarHBondContact SG-CB 3.38Å; C325-C336 CovalentContact SG-SG 2.04Å; C325-C336 PolarHBondContact SG-SG 3.09Å; C325-V337 PolarHBondContact SG-N 2.92Å
326E88.7Confident87.3Confident154 Ų15467.7 Ų67.772%0.7237%0.365SS*.G310 helixtrans-82.3-14.8172.7-73.9166.3-154.100112.5N323 P324N323-E326 HydrophobicContact CB-CG 4.35Å; N323-E326 PolarHBondContact ND2-OE1 3.3Å; N323-E326 PolarHBondContact O-N 3.4Å; N323-E326 VanDerWaalsContact O-N 3.16Å; P324-E326 PolarHBondContact O-N 3.38Å
327D85.3Confident87.4Confident73 Ų7364.6 Ų64.639%0.3935%0.346SS..SBendtrans-80.2164.7171.9-49.6-55.6000110.6R322 P324 C325 V329R322-D327 IonicContact CZ-OD1 3.26Å; R322-D327 IonicContact CZ-OD2 3.13Å; R322-D327 IonicContact NH1-OD2 3.04Å; R322-D327 PolarHBondContact NH1-OD2 3.42Å; R322-D327 IonicContact NH2-OD1 3.83Å; R322-D327 PolarHBondContact NH2-OD1 2.96Å; R322-D327 IonicContact NH2-OD2 3Å; R322-D327 PolarHBondContact NH2-OD2 2.82Å; P324-D327 WeakPolarHBondContact O-CB 3.47Å; P324-D327 PolarHBondContact O-N 3.03Å; C325-D327 VanDerWaalsContact C-N 3.33Å; D327-V329 HydrophobicContact CB-CG1 4.38Å; D327-V329 PolarHBondContact O-N 3.35Å
328E79.3Confident87.4Confident208 Ų20866.5 Ų66.597%0.97235%0.352SS*.  trans-67.1100.3168.3-70.9-172174.600109.8
329V81.2Confident87.2Confident33 Ų3367.7 Ų67.720%0.236%0.359CS..  trans-112.6141.5-178.8-65.90000111.9P324 D327 C331 C336 F347P324-V329 VanDerWaalsContact O-CG1 3.3Å; P324-V329 WeakPolarHBondContact O-CG1 3.06Å; D327-V329 HydrophobicContact CB-CG1 4.38Å; D327-V329 PolarHBondContact O-N 3.35Å; V329-C331 HydrophobicContact CG2-CB 4.35Å; V329-C331 PolarHBondContact O-N 3.42Å; V329-C336 HydrophobicContact CG2-CB 4.14Å; V329-F347 HydrophobicContact CB-CE1 4.47Å; V329-F347 HydrophobicContact CB-CE2 3.99Å; V329-F347 HydrophobicContact CB-CZ 3.76Å; V329-F347 HydrophobicContact CG1-CD1 4.41Å; V329-F347 HydrophobicContact CG1-CE1 3.72Å; V329-F347 HydrophobicContact CG1-CE2 4.08Å; V329-F347 HydrophobicContact CG1-CZ 3.5Å
330G81.2Confident87.2Confident27 Ų2767.9 Ų67.928%0.27836%0.363SS..THydrogen-bonded Turntrans-65.413.817800000117.2A332 E362 P363 K364G330-A332 VanDerWaalsContact C-N 3.31Å; G330-E362 WeakPolarHBondContact CA-OE1 3.18Å; G330-E362 PolarHBondContact N-OE1 3.22Å; G330-P363 CarbonylContact C-O 3.58Å; G330-K364 WeakPolarHBondContact O-CB 3Å
331C86.2Confident86.7Confident1 Ų164.1 Ų64.11%0.00735%0.351CS..THydrogen-bonded Turntrans-72.4-23.9175.1-68.40000113V329 F334 C336 C349V329-C331 HydrophobicContact CG2-CB 4.35Å; V329-C331 PolarHBondContact O-N 3.42Å; C331-F334 CarbonylContact C-O 3.56Å; C331-F334 WeakPolarHBondContact CB-O 3.41Å; C331-F334 WeakPolarHBondContact O-CA 3.44Å; C331-F334 WeakPolarHBondContact O-CB 3.31Å; C331-F334 PolarHBondContact O-N 3.36Å; C331-C336 HydrophobicContact CB-CB 4.17Å; C331-C349 WeakPolarHBondContact CA-SG 3.47Å; C331-C349 HydrophobicContact CB-CB 3.82Å; C331-C349 WeakPolarHBondContact CB-SG 3.41Å; C331-C349 VanDerWaalsContact SG-CA 3.51Å; C331-C349 WeakPolarHBondContact SG-CB 3.41Å; C331-C349 CovalentContact SG-SG 2.05Å; C331-C349 PolarHBondContact SG-SG 3.02Å
332A83.9Confident86.4Confident84 Ų8460.1 Ų60.169%0.69433%0.333SS*.THydrogen-bonded Turntrans-55.1134.2-176.500000111.6G330G330-A332 VanDerWaalsContact C-N 3.31Å
333P87Confident86Confident119 Ų11962.5 Ų62.577%0.77335%0.351SS*.THydrogen-bonded Turncis-87.9711.336.3-37.5000115.3
334F89.5Confident85.9Confident48 Ų4865.6 Ų65.621%0.21136%0.363CS..SBendtrans-90.7152.5-174.5-56.4-66.3000113C331 P352 H355 C365C331-F334 CarbonylContact C-O 3.56Å; C331-F334 WeakPolarHBondContact CB-O 3.41Å; C331-F334 WeakPolarHBondContact O-CA 3.44Å; C331-F334 WeakPolarHBondContact O-CB 3.31Å; C331-F334 PolarHBondContact O-N 3.36Å; F334-P352 VanDerWaalsContact CD1-CD 3.43Å; F334-P352 HydrophobicContact CD1-CG 4.03Å; F334-P352 HydrophobicContact CE1-CG 3.47Å; F334-P352 VanDerWaalsContact CE1-CG 3.47Å; F334-P352 HydrophobicContact CZ-CG 3.94Å; F334-H355 AromaticContact CE2-CD2 3.6Å; F334-H355 AromaticContact CE2-NE2 3.73Å; F334-H355 AromaticContact CZ-CD2 3.69Å; F334-H355 AromaticContact CZ-CE1 3.6Å; F334-H355 AromaticContact CZ-CG 3.95Å; F334-H355 AromaticContact CZ-ND1 3.87Å; F334-H355 AromaticContact CZ-NE2 3.47Å; F334-H355 WeakPolarHBondContact CZ-NE2 3.39Å; F334-C365 HydrophobicContact CD2-CB 3.35Å; F334-C365 HydrophobicContact CE2-CB 3.61Å; F334-C365 HydrophobicContact CG-CB 4.2Å
335P89Confident85.8Confident71 Ų7168 Ų6846%0.46137%0.373SS..PPolyproline II helixtrans-65.2138.4-178.414.8-18.5000112.3Q350P335-Q350 HydrophobicContact CB-CB 4.41Å; P335-Q350 HydrophobicContact CG-CB 3.9Å; P335-Q350 PolarHBondContact O-N 3.07Å
336C89.3Confident85.7Confident30 Ų3066.6 Ų66.620%0.20336%0.363CS..EExtended strand (participates in β ladder)trans-92.8142.3170.2178.80000110.2C325 V329 C331 F347C325-C336 WeakPolarHBondContact CA-SG 3.43Å; C325-C336 HydrophobicContact CB-CB 3.57Å; C325-C336 WeakPolarHBondContact CB-SG 3.24Å; C325-C336 WeakPolarHBondContact SG-CB 3.38Å; C325-C336 CovalentContact SG-SG 2.04Å; C325-C336 PolarHBondContact SG-SG 3.09Å; V329-C336 HydrophobicContact CG2-CB 4.14Å; C331-C336 HydrophobicContact CB-CB 4.17Å; C336-F347 WeakPolarHBondContact SG-CD2 3.46Å
337V88Confident85.8Confident35 Ų3559.9 Ų59.921%0.21233%0.331CS..EExtended strand (participates in β ladder)trans-129131.2173.6175.60000110.2C325 D339 F347 R348 Q350C325-V337 PolarHBondContact SG-N 2.92Å; V337-D339 PolarHBondContact O-N 3.46Å; V337-F347 CarbonylContact O-C 3.12Å; V337-F347 VanDerWaalsContact O-CA 3.31Å; V337-F347 WeakPolarHBondContact O-CA 3.26Å; V337-F347 WeakPolarHBondContact O-CB 3.3Å; V337-R348 PolarHBondContact N-O 3.12Å; V337-R348 PolarHBondContact O-N 2.93Å; V337-Q350 HydrophobicContact CB-CG 4.45Å; V337-Q350 HydrophobicContact CG2-CG 3.6Å
338R88.3Confident86Confident55 Ų5559.5 Ų59.521%0.20832%0.324CS..EExtended strand (participates in β ladder)trans-57.3130.5172.6-177.1-178.5176.9-107.8-2.4110A312 E321 R322A312-R338 PolarHBondContact O-NE 3.49Å; A312-R338 PolarHBondContact O-NH2 2.92Å; E321-R338 VanDerWaalsContact CD-NH1 3.26Å; E321-R338 IonicContact OE1-CZ 3.55Å; E321-R338 IonicContact OE1-NH1 3.13Å; E321-R338 PolarHBondContact OE1-NH1 2.9Å; E321-R338 IonicContact OE1-NH2 3.95Å; E321-R338 PolarHBondContact OE1-NH2 2.93Å; E321-R338 IonicContact OE2-NH1 3.36Å; R322-R338 VanDerWaalsContact O-CD 3.32Å; R322-R338 WeakPolarHBondContact O-CD 3.4Å; R322-R338 PolarHBondContact O-NE 3.15Å
339D86.3Confident86.4Confident26 Ų2650 Ų5014%0.13928%0.281CS..  trans-137.492.4-178.9-168.5-13.8000110.2V337 Q341 N342 G346 R348V337-D339 PolarHBondContact O-N 3.46Å; D339-Q341 PolarHBondContact O-N 3.12Å; D339-Q341 VanDerWaalsContact O-N 3.14Å; D339-Q341 WeakPolarHBondContact OD1-CB 3.44Å; D339-Q341 PolarHBondContact OD1-N 3.49Å; D339-N342 HydrophobicContact CB-CB 4.12Å; D339-N342 PolarHBondContact O-N 2.64Å; D339-N342 PolarHBondContact OD1-N 2.95Å; D339-G346 CarbonylContact C-O 3.15Å; D339-G346 PolarHBondContact N-O 3.41Å; D339-G346 CarbonylContact O-C 3.48Å; D339-G346 WeakPolarHBondContact O-CA 3.35Å; D339-R348 HydrophobicContact CB-CG 4.2Å; D339-R348 IonicContact OD1-NH1 2.72Å; D339-R348 WeakPolarHBondContact OD2-CD 3.48Å; D339-R348 IonicContact OD2-CZ 3.75Å; D339-R348 IonicContact OD2-NE 3.56Å; D339-R348 IonicContact OD2-NH1 2.78Å; D339-R348 PolarHBondContact OD2-NH1 2.96Å
340P86Confident86.7Confident39 Ų3952.5 Ų52.525%0.25329%0.29SS..THydrogen-bonded Turntrans-63-16.7178.4-2335.5000114.2A312 F313A312-P340 HydrophobicContact CB-CB 4.14Å; A312-P340 HydrophobicContact CB-CG 4.34Å; F313-P340 HydrophobicContact CE2-CB 4.12Å; F313-P340 HydrophobicContact CZ-CB 4Å
341Q78.6Confident87Confident64 Ų6453 Ų5330%0.29929%0.289SS..THydrogen-bonded Turntrans-82.5-18.7176-60.5-58.5-6100112.5E245 D339 L343E245-Q341 WeakPolarHBondContact OE1-CG 3.49Å; D339-Q341 PolarHBondContact O-N 3.12Å; D339-Q341 VanDerWaalsContact O-N 3.14Å; D339-Q341 WeakPolarHBondContact OD1-CB 3.44Å; D339-Q341 PolarHBondContact OD1-N 3.49Å; Q341-L343 PolarHBondContact O-N 3.36Å
342N84.6Confident86.8Confident32 Ų3255.3 Ų55.317%0.17130%0.304CS..  trans-77.590.5170.8-170.7-21.8000108.9D339 E344 Y345 G346 F347 Y357D339-N342 HydrophobicContact CB-CB 4.12Å; D339-N342 PolarHBondContact O-N 2.64Å; D339-N342 PolarHBondContact OD1-N 2.95Å; N342-E344 PolarHBondContact O-N 3.42Å; N342-E344 PolarHBondContact OD1-N 3Å; N342-Y345 PolarHBondContact OD1-N 3.42Å; N342-Y345 VanDerWaalsContact OD1-N 3.12Å; N342-G346 WeakPolarHBondContact O-CA 3.44Å; N342-G346 PolarHBondContact O-N 3.31Å; N342-F347 PolarHBondContact ND2-O 2.95Å; N342-Y357 PolarHBondContact ND2-OH 3.49Å
343L82.8Confident86.3Confident124 Ų12458.3 Ų58.365%0.64931%0.314SS*.THydrogen-bonded Turntrans-65.9-19.2-177.7-62.6176000113.5P311 Q341P311-L343 VanDerWaalsContact CD-O 3.31Å; P311-L343 WeakPolarHBondContact CD-O 3.25Å; Q341-L343 PolarHBondContact O-N 3.36Å
344E87.3Confident85.7Confident122 Ų12255.4 Ų55.457%0.5729%0.294SS*.THydrogen-bonded Turntrans-86.1-40.2-177.8-169.2177.216800112.4P311 N342P311-E344 WeakPolarHBondContact CG-O 3.09Å; N342-E344 PolarHBondContact O-N 3.42Å; N342-E344 PolarHBondContact OD1-N 3Å
345Y89Confident85.6Confident53 Ų5354.8 Ų54.821%0.20829%0.292CS..THydrogen-bonded Turntrans-122-21.5-175.3-59.8-65.7000114.3P311 N342 F347 G361 P363P311-Y345 VanDerWaalsContact CB-C 3.44Å; P311-Y345 VanDerWaalsContact CB-O 3.23Å; P311-Y345 WeakPolarHBondContact CB-O 3.39Å; N342-Y345 PolarHBondContact OD1-N 3.42Å; N342-Y345 VanDerWaalsContact OD1-N 3.12Å; Y345-F347 WeakPolarHBondContact O-CD1 3.22Å; Y345-F347 PolarHBondContact O-N 3.19Å; Y345-G361 PolarHBondContact OH-O 3.34Å; Y345-G361 VanDerWaalsContact OH-O 3.08Å; Y345-P363 HydrophobicContact CD1-CG 4.14Å; Y345-P363 HydrophobicContact CD2-CB 4.38Å; Y345-P363 HydrophobicContact CD2-CG 4.07Å; Y345-P363 HydrophobicContact CE2-CG 4.48Å; Y345-P363 HydrophobicContact CG-CG 3.92Å
346G89Confident85.3Confident0 Ų056.6 Ų56.60%029%0.294CS..SBendtrans70.66.2-176.100000114.6D339 N342D339-G346 CarbonylContact C-O 3.15Å; D339-G346 PolarHBondContact N-O 3.41Å; D339-G346 CarbonylContact O-C 3.48Å; D339-G346 WeakPolarHBondContact O-CA 3.35Å; N342-G346 WeakPolarHBondContact O-CA 3.44Å; N342-G346 PolarHBondContact O-N 3.31Å
347F90.3Very high84.9Confident14 Ų1458.5 Ų58.56%0.06130%0.297CS..EExtended strand (participates in β ladder)trans-147.5167.3176.671.3-89000111.7P324 V329 C336 V337 N342 Y345 P363P324-F347 HydrophobicContact CB-CB 4.16Å; P324-F347 HydrophobicContact CB-CD1 3.48Å; P324-F347 VanDerWaalsContact CB-CD1 3.48Å; P324-F347 HydrophobicContact CB-CE1 4.24Å; P324-F347 HydrophobicContact CB-CG 4.2Å; P324-F347 HydrophobicContact CG-CD1 4.33Å; V329-F347 HydrophobicContact CB-CE1 4.47Å; V329-F347 HydrophobicContact CB-CE2 3.99Å; V329-F347 HydrophobicContact CB-CZ 3.76Å; V329-F347 HydrophobicContact CG1-CD1 4.41Å; V329-F347 HydrophobicContact CG1-CE1 3.72Å; V329-F347 HydrophobicContact CG1-CE2 4.08Å; V329-F347 HydrophobicContact CG1-CZ 3.5Å; C336-F347 WeakPolarHBondContact SG-CD2 3.46Å; V337-F347 CarbonylContact O-C 3.12Å; V337-F347 VanDerWaalsContact O-CA 3.31Å; V337-F347 WeakPolarHBondContact O-CA 3.26Å; V337-F347 WeakPolarHBondContact O-CB 3.3Å; N342-F347 PolarHBondContact ND2-O 2.95Å; Y345-F347 WeakPolarHBondContact O-CD1 3.22Å; Y345-F347 PolarHBondContact O-N 3.19Å; F347-P363 HydrophobicContact CD2-CG 4.37Å; F347-P363 HydrophobicContact CE1-CG 4.13Å; F347-P363 HydrophobicContact CE2-CB 3.96Å; F347-P363 HydrophobicContact CE2-CG 3.34Å; F347-P363 HydrophobicContact CZ-CB 4.29Å; F347-P363 HydrophobicContact CZ-CG 3.2Å
348R88.6Confident84.6Confident65 Ų6559.7 Ų59.725%0.24530%0.301CS..EExtended strand (participates in β ladder)trans-139153.5168.365.8177-175.8-85-6.8110.3E155 V337 D339 Y357E155-R348 IonicContact OE1-CZ 2.76Å; E155-R348 IonicContact OE1-NH2 2.8Å; E155-R348 PolarHBondContact OE1-NH2 3.26Å; E155-R348 IonicContact OE2-NH2 2.69Å; E155-R348 PolarHBondContact OE2-NH2 3.05Å; V337-R348 PolarHBondContact N-O 3.12Å; V337-R348 PolarHBondContact O-N 2.93Å; D339-R348 HydrophobicContact CB-CG 4.2Å; D339-R348 IonicContact OD1-NH1 2.72Å; D339-R348 WeakPolarHBondContact OD2-CD 3.48Å; D339-R348 IonicContact OD2-CZ 3.75Å; D339-R348 IonicContact OD2-NE 3.56Å; D339-R348 IonicContact OD2-NH1 2.78Å; D339-R348 PolarHBondContact OD2-NH1 2.96Å; R348-Y357 HydrophobicContact CB-CE2 4.24Å
349C89.2Confident83.6Confident8 Ų862.5 Ų62.55%0.05432%0.324CS..EExtended strand (participates in β ladder)trans-87.2135.3174.4-490000110.3C331 C351 Y357 P363 C365C331-C349 WeakPolarHBondContact CA-SG 3.47Å; C331-C349 HydrophobicContact CB-CB 3.82Å; C331-C349 WeakPolarHBondContact CB-SG 3.41Å; C331-C349 VanDerWaalsContact SG-CA 3.51Å; C331-C349 WeakPolarHBondContact SG-CB 3.41Å; C331-C349 CovalentContact SG-SG 2.05Å; C331-C349 PolarHBondContact SG-SG 3.02Å; C349-C351 PolarHBondContact O-N 3.18Å; C349-Y357 HydrophobicContact CB-CD2 4.22Å; C349-Y357 HydrophobicContact CB-CE2 4.37Å; C349-P363 PolarHBondContact SG-O 3.27Å; C349-P363 VanDerWaalsContact SG-O 3.36Å; C349-C365 VanDerWaalsContact CB-SG 3.55Å
350Q87Confident83.1Confident86 Ų8669.7 Ų69.740%0.40235%0.354SS..  trans-83.491171.6-79.5-175-27.100109.8P335 V337P335-Q350 HydrophobicContact CB-CB 4.41Å; P335-Q350 HydrophobicContact CG-CB 3.9Å; P335-Q350 PolarHBondContact O-N 3.07Å; V337-Q350 HydrophobicContact CB-CG 4.45Å; V337-Q350 HydrophobicContact CG2-CG 3.6Å
351C86.6Confident82.8Confident38 Ų3869.7 Ų69.726%0.25736%0.361SS..  trans-80.2139.5-179.9-52.30000111.7C349 H355 C365C349-C351 PolarHBondContact O-N 3.18Å; C351-H355 HydrophobicContact CB-CB 3.96Å; C351-C365 WeakPolarHBondContact CA-SG 3.04Å; C351-C365 HydrophobicContact CB-CB 3.84Å; C351-C365 WeakPolarHBondContact CB-SG 3.23Å; C351-C365 WeakPolarHBondContact SG-CA 3.5Å; C351-C365 WeakPolarHBondContact SG-CB 3.45Å; C351-C365 CovalentContact SG-SG 2.04Å; C351-C365 PolarHBondContact SG-SG 2.82Å
352P82.3Confident82.8Confident49 Ų4972.4 Ų72.432%0.31837%0.374SS..  trans-66168168.732.3-38.9000110.3F334 T354 H355F334-P352 VanDerWaalsContact CD1-CD 3.43Å; F334-P352 HydrophobicContact CD1-CG 4.03Å; F334-P352 HydrophobicContact CE1-CG 3.47Å; F334-P352 VanDerWaalsContact CE1-CG 3.47Å; F334-P352 HydrophobicContact CZ-CG 3.94Å; P352-T354 PolarHBondContact O-N 3.5Å; P352-H355 HydrophobicContact CG-CB 4.11Å; P352-H355 WeakPolarHBondContact CG-ND1 3.45Å; P352-H355 PolarHBondContact O-N 3.32Å
353T74Confident82.7Confident147 Ų14771 Ų7190%0.90237%0.367SS*.THydrogen-bonded Turntrans-60.5-20-179.551.70000114.2H355T353-H355 VanDerWaalsContact C-N 3.27Å
354T74.9Confident82.8Confident58 Ų5869.9 Ų69.936%0.35636%0.356SS..THydrogen-bonded Turntrans-80.8-4.9175.653.80000113.4P352 V368P352-T354 PolarHBondContact O-N 3.5Å; T354-V368 PolarHBondContact O-N 3.38Å
355H85.7Confident82.8Confident35 Ų3564.8 Ų64.816%0.16233%0.334CS..EExtended strand (participates in β ladder)trans-131.6154.7-176.8-66.264.7000110.8F334 C351 P352 T353 C365 V366F334-H355 AromaticContact CE2-CD2 3.6Å; F334-H355 AromaticContact CE2-NE2 3.73Å; F334-H355 AromaticContact CZ-CD2 3.69Å; F334-H355 AromaticContact CZ-CE1 3.6Å; F334-H355 AromaticContact CZ-CG 3.95Å; F334-H355 AromaticContact CZ-ND1 3.87Å; F334-H355 AromaticContact CZ-NE2 3.47Å; F334-H355 WeakPolarHBondContact CZ-NE2 3.39Å; C351-H355 HydrophobicContact CB-CB 3.96Å; P352-H355 HydrophobicContact CG-CB 4.11Å; P352-H355 WeakPolarHBondContact CG-ND1 3.45Å; P352-H355 PolarHBondContact O-N 3.32Å; T353-H355 VanDerWaalsContact C-N 3.27Å; H355-C365 HydrophobicContact CB-CB 3.96Å; H355-V366 CarbonylContact C-O 3.54Å; H355-V366 VanDerWaalsContact CA-O 3.24Å; H355-V366 WeakPolarHBondContact CA-O 3.2Å; H355-V366 WeakPolarHBondContact CB-O 3.49Å
356Q82.9Confident82.6Confident108 Ų10864 Ų6451%0.50534%0.335SS..EExtended strand (participates in β ladder)trans-120.5147.7174.462.4-177.41.100110.4Q358 V366 V368Q356-Q358 PolarHBondContact O-N 3.28Å; Q356-V366 HydrophobicContact CG-CG2 3.53Å; Q356-V366 PolarHBondContact N-O 2.99Å; Q356-V366 PolarHBondContact O-N 3.22Å; Q356-V368 HydrophobicContact CB-CG2 3.58Å; Q356-V368 HydrophobicContact CG-CG2 3.67Å
357Y82.2Confident82.3Confident70 Ų7066.4 Ų66.428%0.27535%0.35SS..EExtended strand (participates in β ladder)trans-72.4126.1176-178.8-103.3000110.1N342 R348 C349 T359 P363N342-Y357 PolarHBondContact ND2-OH 3.49Å; R348-Y357 HydrophobicContact CB-CE2 4.24Å; C349-Y357 HydrophobicContact CB-CD2 4.22Å; C349-Y357 HydrophobicContact CB-CE2 4.37Å; Y357-T359 HydrophobicContact CD1-CG2 4.03Å; Y357-T359 HydrophobicContact CE1-CG2 4.29Å; Y357-P363 HydrophobicContact CE2-CB 3.74Å; Y357-P363 WeakPolarHBondContact OH-CB 3.02Å
358Q81.4Confident81.7Confident60 Ų6067.8 Ų67.828%0.2836%0.36SS..  trans-81120.8174.6179.8164.5-1.600110.4Q356 K360 K364 V366Q356-Q358 PolarHBondContact O-N 3.28Å; Q358-K360 WeakPolarHBondContact CG-O 3.47Å; Q358-K360 PolarHBondContact NE2-O 3.21Å; Q358-K364 HydrophobicContact CB-CG 4.22Å; Q358-K364 WeakPolarHBondContact CB-O 3.47Å; Q358-K364 PolarHBondContact N-O 2.96Å; Q358-V366 HydrophobicContact CB-CG1 4.28Å; Q358-V366 VanDerWaalsContact OE1-CG1 3.28Å
359T67.9Low81.2Confident115 Ų11566.8 Ų66.871%0.70636%0.362SS*.  trans-91.6-6.9-18057.50000114Y357Y357-T359 HydrophobicContact CD1-CG2 4.03Å; Y357-T359 HydrophobicContact CE1-CG2 4.29Å
360K75.8Confident80.6Confident177 Ų17767.7 Ų67.777%0.7737%0.367SS*.SBendtrans-120.1115.5-176.3-171.2-179.5-178.6-177.90110Q358Q358-K360 WeakPolarHBondContact CG-O 3.47Å; Q358-K360 PolarHBondContact NE2-O 3.21Å
361G78.5Confident80Confident39 Ų3964.7 Ų64.740%0.40236%0.355SS..SBendtrans84.3-161.2-17400000111.9Y345Y345-G361 PolarHBondContact OH-O 3.34Å; Y345-G361 VanDerWaalsContact OH-O 3.08Å
362E78.7Confident79.1Confident121 Ų12164 Ų6457%0.56535%0.354SS*.SBendtrans-57.5128.6-175-166-178.3171.100111.9G330 K364G330-E362 WeakPolarHBondContact CA-OE1 3.18Å; G330-E362 PolarHBondContact N-OE1 3.22Å; E362-K364 PolarHBondContact O-N 3.34Å; E362-K364 VanDerWaalsContact O-N 3.11Å
363P82.1Confident78.1Confident2 Ų267.8 Ų67.81%0.01337%0.368CS..  trans-64.6113.8-176.225.9-35.9000110.9G330 Y345 F347 C349 Y357G330-P363 CarbonylContact C-O 3.58Å; Y345-P363 HydrophobicContact CD1-CG 4.14Å; Y345-P363 HydrophobicContact CD2-CB 4.38Å; Y345-P363 HydrophobicContact CD2-CG 4.07Å; Y345-P363 HydrophobicContact CE2-CG 4.48Å; Y345-P363 HydrophobicContact CG-CG 3.92Å; F347-P363 HydrophobicContact CD2-CG 4.37Å; F347-P363 HydrophobicContact CE1-CG 4.13Å; F347-P363 HydrophobicContact CE2-CB 3.96Å; F347-P363 HydrophobicContact CE2-CG 3.34Å; F347-P363 HydrophobicContact CZ-CB 4.29Å; F347-P363 HydrophobicContact CZ-CG 3.2Å; C349-P363 PolarHBondContact SG-O 3.27Å; C349-P363 VanDerWaalsContact SG-O 3.36Å; Y357-P363 HydrophobicContact CE2-CB 3.74Å; Y357-P363 WeakPolarHBondContact OH-CB 3.02Å
364K86.3Confident77Confident100 Ų10070 Ų7044%0.43537%0.365SS..  trans-143.9158.1177.663.6-174.3176.1-176.90111.3G330 Q358 E362 V366G330-K364 WeakPolarHBondContact O-CB 3Å; Q358-K364 HydrophobicContact CB-CG 4.22Å; Q358-K364 WeakPolarHBondContact CB-O 3.47Å; Q358-K364 PolarHBondContact N-O 2.96Å; E362-K364 PolarHBondContact O-N 3.34Å; E362-K364 VanDerWaalsContact O-N 3.11Å; K364-V366 HydrophobicContact CD-CG1 4.41Å; K364-V366 HydrophobicContact CG-CG1 4.05Å
365C86.7Confident75.8Confident16 Ų1672 Ų7211%0.10837%0.374CS..EExtended strand (participates in β ladder)trans-87113171-650000108.9F334 C349 C351 H355F334-C365 HydrophobicContact CD2-CB 3.35Å; F334-C365 HydrophobicContact CE2-CB 3.61Å; F334-C365 HydrophobicContact CG-CB 4.2Å; C349-C365 VanDerWaalsContact CB-SG 3.55Å; C351-C365 WeakPolarHBondContact CA-SG 3.04Å; C351-C365 HydrophobicContact CB-CB 3.84Å; C351-C365 WeakPolarHBondContact CB-SG 3.23Å; C351-C365 WeakPolarHBondContact SG-CA 3.5Å; C351-C365 WeakPolarHBondContact SG-CB 3.45Å; C351-C365 CovalentContact SG-SG 2.04Å; C351-C365 PolarHBondContact SG-SG 2.82Å; H355-C365 HydrophobicContact CB-CB 3.96Å
366V83.9Confident74.2Confident36 Ų3677.9 Ų77.922%0.21841%0.405CS..EExtended strand (participates in β ladder)trans-97135.7174-62.90000109.6H355 Q356 Q358 K364H355-V366 CarbonylContact C-O 3.54Å; H355-V366 VanDerWaalsContact CA-O 3.24Å; H355-V366 WeakPolarHBondContact CA-O 3.2Å; H355-V366 WeakPolarHBondContact CB-O 3.49Å; Q356-V366 HydrophobicContact CG-CG2 3.53Å; Q356-V366 PolarHBondContact N-O 2.99Å; Q356-V366 PolarHBondContact O-N 3.22Å; Q358-V366 HydrophobicContact CB-CG1 4.28Å; Q358-V366 VanDerWaalsContact OE1-CG1 3.28Å; K364-V366 HydrophobicContact CD-CG1 4.41Å; K364-V366 HydrophobicContact CG-CG1 4.05Å
367P82.6Confident72.6Confident50 Ų5078.5 Ų78.533%0.32542%0.416SS..EExtended strand (participates in β ladder)trans-54.5141.6176.1-27.434.3000112.7S400 T401P367-S400 WeakPolarHBondContact CB-OG 3.39Å; P367-T401 HydrophobicContact CB-CG2 4.22Å
368V79.3Confident71.1Confident44 Ų4477.6 Ų77.627%0.26742%0.42SS..PPolyproline II helixtrans-95.7124.2171.91780000107.9T354 Q356 V370T354-V368 PolarHBondContact O-N 3.38Å; Q356-V368 HydrophobicContact CB-CG2 3.58Å; Q356-V368 HydrophobicContact CG-CG2 3.67Å; V368-V370 PolarHBondContact O-N 3.48Å
369P76.9Confident69.6Low43 Ų4384.2 Ų84.228%0.27945%0.451SS..PPolyproline II helixtrans-63.6120177.925.2-32.4000110C371 G372P369-C371 VanDerWaalsContact C-N 3.35Å; P369-C371 PolarHBondContact O-N 2.04Å; P369-G372 PolarHBondContact O-N 3.4Å; P369-G372 VanDerWaalsContact O-N 3.07Å
370V77.2Confident68.6Low28 Ų2885 Ų8517%0.1745%0.451CS..THydrogen-bonded Turntrans-61.6-41-175-166.50000112.1V368 G372 P386 S400 T401 Y403V368-V370 PolarHBondContact O-N 3.48Å; V370-G372 PolarHBondContact O-N 3.26Å; V370-P386 HydrophobicContact CG1-CB 4.18Å; V370-P386 HydrophobicContact CG1-CG 3.76Å; V370-S400 PolarHBondContact N-O 2.91Å; V370-T401 WeakPolarHBondContact CG2-O 3.46Å; V370-Y403 HydrophobicContact CB-CD1 3.69Å; V370-Y403 HydrophobicContact CB-CE1 4.24Å; V370-Y403 HydrophobicContact CB-CG 4.21Å; V370-Y403 HydrophobicContact CG1-CD1 3.55Å; V370-Y403 HydrophobicContact CG1-CE1 3.62Å; V370-Y403 HydrophobicContact CG1-CG 4.13Å; V370-Y403 HydrophobicContact CG2-CD1 3.78Å; V370-Y403 HydrophobicContact CG2-CE1 4.25Å
371C75.1Confident67.2Low22 Ų2280.8 Ų80.815%0.14943%0.432CS..THydrogen-bonded Turntrans-74.8-5.6179.2-59.30000113.9P369 C393 Q395P369-C371 VanDerWaalsContact C-N 3.35Å; P369-C371 PolarHBondContact O-N 2.04Å; C371-C393 WeakPolarHBondContact CA-SG 3.4Å; C371-C393 HydrophobicContact CB-CB 3.71Å; C371-C393 WeakPolarHBondContact CB-SG 3.38Å; C371-C393 WeakPolarHBondContact SG-CB 3.26Å; C371-C393 CovalentContact SG-SG 2.04Å; C371-C393 PolarHBondContact SG-SG 3.28Å; C371-Q395 HydrophobicContact CB-CB 4.21Å; C371-Q395 PolarHBondContact SG-N 2.96Å
372G66.8Low65.6Low23 Ų2385.7 Ų85.724%0.23745%0.446CS..  trans66.7172.9-170.900000113.2P369 V370P369-G372 PolarHBondContact O-N 3.4Å; P369-G372 VanDerWaalsContact O-N 3.07Å; V370-G372 PolarHBondContact O-N 3.26Å
373E62.3Low64.2Low129 Ų12988.7 Ų88.760%0.60346%0.458SS*.  trans-93.4133.3167.8-67.1163.9153.500108.6N375 K381E373-N375 VanDerWaalsContact C-N 3.26Å; E373-N375 PolarHBondContact O-N 3.02Å; E373-K381 IonicContact OE2-NZ 3.77Å; E373-K381 PolarHBondContact OE2-NZ 3.07Å
374F50.2Low63Low194 Ų19491.5 Ų91.585%0.85148%0.477SS*.  trans-72.979.7175.6-144.3-85.3000109.3
375N49.8Very low62.3Low100 Ų10090.4 Ų90.454%0.53547%0.473SS..  trans-97.2116.8168.9-160.5-18.1000108.8E373 T377 S378E373-N375 VanDerWaalsContact C-N 3.26Å; E373-N375 PolarHBondContact O-N 3.02Å; N375-T377 PolarHBondContact O-N 3.44Å; N375-T377 PolarHBondContact OD1-OG1 2.83Å; N375-S378 PolarHBondContact O-N 3.46Å
376I50.9Low62Low158 Ų15890.9 Ų90.981%0.8148%0.476SS*.THydrogen-bonded Turntrans-56.6-19.6-175.5-61166.2000112
377T51Low62Low121 Ų12189.6 Ų89.674%0.74247%0.469SS*.THydrogen-bonded Turntrans-95.71.9-174.348.30000115.4N375N375-T377 PolarHBondContact O-N 3.44Å; N375-T377 PolarHBondContact OD1-OG1 2.83Å
378S49.4Very low62.1Low52 Ų5295.3 Ų95.336%0.36448%0.484SS..  trans-125.194.3-174.6-1580000113.7N375 L380 K381N375-S378 PolarHBondContact O-N 3.46Å; S378-L380 PolarHBondContact O-N 2.72Å; S378-K381 PolarHBondContact O-N 2.62Å
379E49.6Very low62.2Low198 Ų19896 Ų9693%0.92549%0.486SS*.THydrogen-bonded Turntrans-53.2-16165.5-66.8172.7156.800112.8
380L47.1Very low62.2Low133 Ų13398.9 Ų98.970%0.69651%0.507SS*.THydrogen-bonded Turntrans-80-25.7-176.8-147.678.7000114S378S378-L380 PolarHBondContact O-N 2.72Å
381K46.3Very low62.4Low87 Ų8797.7 Ų97.738%0.37850%0.501SS..G310 helixtrans-83.8-10.3-177.8-100.4-178.7177.5177.30114E373 S378 K383 S384E373-K381 IonicContact OE2-NZ 3.77Å; E373-K381 PolarHBondContact OE2-NZ 3.07Å; S378-K381 PolarHBondContact O-N 2.62Å; K381-K383 PolarHBondContact O-N 3.36Å; K381-S384 PolarHBondContact O-N 3.21Å
382M46Very low62.8Low142 Ų142102.9 Ų102.970%0.752%0.523SS*.G310 helixtrans-65-20.2175.2-154.6178.5172.700112.5S384M382-S384 VanDerWaalsContact C-N 3.27Å; M382-S384 PolarHBondContact O-N 3.31Å
383K48.8Very low63.7Low185 Ų185103 Ų10380%0.80452%0.52SS*.G310 helixtrans-71-17.8177.9-124.7-179.1-175-1780114.3K381K381-K383 PolarHBondContact O-N 3.36Å
384S57.1Low64.6Low60 Ų60100.4 Ų100.442%0.4251%0.509SS..G310 helixtrans-97.57.1-177.2-167.20000113.5K381 M382 P386K381-S384 PolarHBondContact O-N 3.21Å; M382-S384 VanDerWaalsContact C-N 3.27Å; M382-S384 PolarHBondContact O-N 3.31Å; S384-P386 WeakPolarHBondContact O-CD 3.09Å
385Q71.2Confident66.1Low77 Ų7793.5 Ų93.536%0.3648%0.48SS..  trans-76.2114.9177.8-67.5-176.316.100109.4C387Q385-C387 VanDerWaalsContact C-N 3.25Å; Q385-C387 PolarHBondContact O-N 2.88Å
386P79.9Confident67.4Low26 Ų2691.8 Ų91.817%0.16947%0.471CS..  trans-71.2-24.7-178.132.1-38.7000112V370 S384 R388 C393 Y403V370-P386 HydrophobicContact CG1-CB 4.18Å; V370-P386 HydrophobicContact CG1-CG 3.76Å; S384-P386 WeakPolarHBondContact O-CD 3.09Å; P386-R388 PolarHBondContact O-N 3.31Å; P386-C393 VanDerWaalsContact CG-SG 3.55Å; P386-Y403 HydrophobicContact CB-CD2 4.23Å; P386-Y403 HydrophobicContact CB-CE1 4.48Å; P386-Y403 HydrophobicContact CB-CE2 3.52Å; P386-Y403 HydrophobicContact CG-CD2 3.51Å; P386-Y403 HydrophobicContact CG-CE1 4.4Å; P386-Y403 HydrophobicContact CG-CE2 3.33Å; P386-Y403 HydrophobicContact CG-CG 4.13Å
387C84.9Confident68.5Low9 Ų990.6 Ų90.66%0.06147%0.471CS..  trans-78119.4-179.1-48.60000110.7Q385 G391 C393 C405Q385-C387 VanDerWaalsContact C-N 3.25Å; Q385-C387 PolarHBondContact O-N 2.88Å; C387-G391 WeakPolarHBondContact CB-O 3.42Å; C387-C393 WeakPolarHBondContact SG-CA 3.11Å; C387-C393 WeakPolarHBondContact SG-CB 3.48Å; C387-C405 WeakPolarHBondContact CA-SG 3.34Å; C387-C405 HydrophobicContact CB-CB 3.75Å; C387-C405 WeakPolarHBondContact CB-SG 3.47Å; C387-C405 WeakPolarHBondContact SG-CA 3.49Å; C387-C405 WeakPolarHBondContact SG-CB 3.37Å; C387-C405 CovalentContact SG-SG 2.02Å; C387-C405 PolarHBondContact SG-SG 2.97Å
388R84.7Confident69.7Low170 Ų17092 Ų9264%0.64247%0.474SS*.  trans-83.1173.6176.7-65.5-168.4171.8-150.3-0.3111.5P386 S390 G391 H415 C416P386-R388 PolarHBondContact O-N 3.31Å; R388-S390 PolarHBondContact O-N 3.24Å; R388-S390 VanDerWaalsContact O-N 3.14Å; R388-G391 PolarHBondContact O-N 3.3Å; R388-H415 WeakPolarHBondContact CB-O 3.39Å; R388-H415 PolarHBondContact N-O 2.98Å; R388-C416 WeakPolarHBondContact O-CB 3.28Å
389N80.4Confident70.8Confident58 Ų5892.3 Ų92.331%0.3147%0.471SS..THydrogen-bonded Turntrans54.836.6173.5-61.7-41.4000113.9G391 N408 Y411 C416N389-G391 PolarHBondContact O-N 3.44Å; N389-N408 PolarHBondContact O-ND2 3.39Å; N389-Y411 HydrophobicContact CB-CD1 3.68Å; N389-Y411 HydrophobicContact CB-CD2 4.24Å; N389-Y411 HydrophobicContact CB-CE1 3.66Å; N389-Y411 HydrophobicContact CB-CE2 4.23Å; N389-Y411 HydrophobicContact CB-CG 3.97Å; N389-Y411 VanDerWaalsContact ND2-CD1 3.26Å; N389-Y411 WeakPolarHBondContact ND2-CD1 3.5Å; N389-Y411 VanDerWaalsContact ND2-CE1 3.3Å; N389-Y411 WeakPolarHBondContact ND2-CE1 3.15Å; N389-C416 PolarHBondContact ND2-O 2.78Å
390S77.3Confident71.9Confident104 Ų10484.8 Ų84.873%0.72744%0.441SS*.THydrogen-bonded Turntrans60.128-176.6-46.50000113.9R388 N408R388-S390 PolarHBondContact O-N 3.24Å; R388-S390 VanDerWaalsContact O-N 3.14Å; S390-N408 PolarHBondContact O-ND2 3.05Å
391G81.6Confident73Confident4 Ų480.4 Ų80.44%0.04142%0.419CS..PPolyproline II helixtrans-64.6143.5172.500000111.8C387 R388 N389 I406C387-G391 WeakPolarHBondContact CB-O 3.42Å; R388-G391 PolarHBondContact O-N 3.3Å; N389-G391 PolarHBondContact O-N 3.44Å; G391-I406 CarbonylContact C-O 3.6Å; G391-I406 VanDerWaalsContact CA-O 3.25Å; G391-I406 WeakPolarHBondContact CA-O 3.23Å
392Q84Confident74.5Confident130 Ų13080.5 Ų80.561%0.60742%0.424SS*.EExtended strand (participates in β ladder)trans-82.3121.3178.5-171.8178.9400109.8I406Q392-I406 HydrophobicContact CB-CB 4.33Å; Q392-I406 PolarHBondContact N-O 2.79Å; Q392-I406 PolarHBondContact O-N 2.7Å
393C85.1Confident76.2Confident25 Ų2577.3 Ų77.317%0.16941%0.405CS..EExtended strand (participates in β ladder)trans-84.8124.1175.6-167.70000110.5C371 P386 C387C371-C393 WeakPolarHBondContact CA-SG 3.4Å; C371-C393 HydrophobicContact CB-CB 3.71Å; C371-C393 WeakPolarHBondContact CB-SG 3.38Å; C371-C393 WeakPolarHBondContact SG-CB 3.26Å; C371-C393 CovalentContact SG-SG 2.04Å; C371-C393 PolarHBondContact SG-SG 3.28Å; P386-C393 VanDerWaalsContact CG-SG 3.55Å; C387-C393 WeakPolarHBondContact SG-CA 3.11Å; C387-C393 WeakPolarHBondContact SG-CB 3.48Å
394I81.8Confident77.9Confident75 Ų7575.7 Ų75.739%0.38540%0.398SS..EExtended strand (participates in β ladder)trans-109.9116.9173-58.8-177.7000108.6Y403 K404 I406I394-Y403 CarbonylContact O-C 3.42Å; I394-Y403 VanDerWaalsContact O-CA 3.23Å; I394-Y403 WeakPolarHBondContact O-CA 3.14Å; I394-Y403 WeakPolarHBondContact O-CB 2.95Å; I394-K404 PolarHBondContact N-O 2.94Å; I394-K404 PolarHBondContact O-N 2.7Å; I394-I406 HydrophobicContact CD1-CD1 3.33Å; I394-I406 HydrophobicContact CD1-CG1 3.8Å; I394-I406 HydrophobicContact CG1-CD1 4.35Å; I394-I406 HydrophobicContact CG1-CG1 4.45Å
395Q80.7Confident79.4Confident49 Ų4973.5 Ų73.523%0.22938%0.382CS..EExtended strand (participates in β ladder)trans-76.5132.2174.9-171.664.358.700109.4C371 D399 S400 L402C371-Q395 HydrophobicContact CB-CB 4.21Å; C371-Q395 PolarHBondContact SG-N 2.96Å; Q395-D399 PolarHBondContact NE2-O 3.27Å; Q395-S400 VanDerWaalsContact NE2-CA 3.25Å; Q395-S400 PolarHBondContact NE2-O 2.97Å; Q395-L402 PolarHBondContact NE2-O 3Å
396N77.9Confident80Confident64 Ų6473.8 Ų73.834%0.34239%0.385SS..  trans-68.3134171.1-171.6-24.5000109.6N398 L402N396-N398 VanDerWaalsContact C-N 3.32Å; N396-N398 PolarHBondContact O-N 3.1Å; N396-N398 PolarHBondContact OD1-N 3.42Å; N396-L402 HydrophobicContact CB-CB 3.86Å; N396-L402 WeakPolarHBondContact CB-O 3.37Å; N396-L402 PolarHBondContact N-O 2.67Å
397T74Confident80.2Confident134 Ų13474.2 Ų74.282%0.82239%0.389SS*.SBendtrans-69.4-29.1-178.848.40000113.2
398N75.4Confident80Confident150 Ų15077.5 Ų77.580%0.80241%0.405SS*.SBendtrans-89.8-31.4-175.4-64.1-13.3000112.4N396N396-N398 VanDerWaalsContact C-N 3.32Å; N396-N398 PolarHBondContact O-N 3.1Å; N396-N398 PolarHBondContact OD1-N 3.42Å
399D72.8Confident79.6Confident58 Ų5875.9 Ų75.931%0.3141%0.405SS..  trans-133.4110.2-178.1-169.9-20000109.6Q395 T401 L402Q395-D399 PolarHBondContact NE2-O 3.27Å; D399-T401 VanDerWaalsContact CG-OG1 3.28Å; D399-T401 PolarHBondContact O-N 3.25Å; D399-T401 WeakPolarHBondContact OD1-CB 3.35Å; D399-T401 PolarHBondContact OD1-N 3.35Å; D399-T401 PolarHBondContact OD1-OG1 3.14Å; D399-T401 PolarHBondContact OD2-OG1 3.47Å; D399-L402 HydrophobicContact CB-CB 4.14Å; D399-L402 HydrophobicContact CB-CD1 3.85Å; D399-L402 HydrophobicContact CB-CG 3.92Å; D399-L402 PolarHBondContact O-N 3.26Å
400S72.2Confident79.2Confident40 Ų4074.4 Ų74.428%0.2840%0.403SS..THydrogen-bonded Turntrans-70-7.7-179.935.40000113.3P367 V370 Q395P367-S400 WeakPolarHBondContact CB-OG 3.39Å; V370-S400 PolarHBondContact N-O 2.91Å; Q395-S400 VanDerWaalsContact NE2-CA 3.25Å; Q395-S400 PolarHBondContact NE2-O 2.97Å
401T70.2Confident79.4Confident41 Ų4171.1 Ų71.125%0.25238%0.375SS..THydrogen-bonded Turntrans-90.6-16.7171.272.40000113P367 V370 D399P367-T401 HydrophobicContact CB-CG2 4.22Å; V370-T401 WeakPolarHBondContact CG2-O 3.46Å; D399-T401 VanDerWaalsContact CG-OG1 3.28Å; D399-T401 PolarHBondContact O-N 3.25Å; D399-T401 WeakPolarHBondContact OD1-CB 3.35Å; D399-T401 PolarHBondContact OD1-N 3.35Å; D399-T401 PolarHBondContact OD1-OG1 3.14Å; D399-T401 PolarHBondContact OD2-OG1 3.47Å
402L78Confident79.5Confident90 Ų9074.5 Ų74.547%0.47140%0.395SS..  trans-96.6133.6178.6-64.9179000111.6Q395 N396 D399Q395-L402 PolarHBondContact NE2-O 3Å; N396-L402 HydrophobicContact CB-CB 3.86Å; N396-L402 WeakPolarHBondContact CB-O 3.37Å; N396-L402 PolarHBondContact N-O 2.67Å; D399-L402 HydrophobicContact CB-CB 4.14Å; D399-L402 HydrophobicContact CB-CD1 3.85Å; D399-L402 HydrophobicContact CB-CG 3.92Å; D399-L402 PolarHBondContact O-N 3.26Å
403Y82.8Confident79.6Confident75 Ų7569.6 Ų69.629%0.29438%0.38SS..EExtended strand (participates in β ladder)trans-139.7163.8175.463.2-78.3000110.1V370 P386 I394 H415V370-Y403 HydrophobicContact CB-CD1 3.69Å; V370-Y403 HydrophobicContact CB-CE1 4.24Å; V370-Y403 HydrophobicContact CB-CG 4.21Å; V370-Y403 HydrophobicContact CG1-CD1 3.55Å; V370-Y403 HydrophobicContact CG1-CE1 3.62Å; V370-Y403 HydrophobicContact CG1-CG 4.13Å; V370-Y403 HydrophobicContact CG2-CD1 3.78Å; V370-Y403 HydrophobicContact CG2-CE1 4.25Å; P386-Y403 HydrophobicContact CB-CD2 4.23Å; P386-Y403 HydrophobicContact CB-CE1 4.48Å; P386-Y403 HydrophobicContact CB-CE2 3.52Å; P386-Y403 HydrophobicContact CG-CD2 3.51Å; P386-Y403 HydrophobicContact CG-CE1 4.4Å; P386-Y403 HydrophobicContact CG-CE2 3.33Å; P386-Y403 HydrophobicContact CG-CG 4.13Å; I394-Y403 CarbonylContact O-C 3.42Å; I394-Y403 VanDerWaalsContact O-CA 3.23Å; I394-Y403 WeakPolarHBondContact O-CA 3.14Å; I394-Y403 WeakPolarHBondContact O-CB 2.95Å; Y403-H415 AromaticContact CE2-CD2 3.98Å; Y403-H415 AromaticContact CE2-NE2 3.99Å; Y403-H415 AromaticContact CZ-NE2 3.65Å; Y403-H415 PolarHBondContact OH-CD2 3Å; Y403-H415 VanDerWaalsContact OH-CD2 3.26Å; Y403-H415 PolarHBondContact OH-NE2 3.07Å
404K85Confident79.6Confident151 Ų15175 Ų7566%0.65741%0.407SS*.EExtended strand (participates in β ladder)trans-131.3132.5170.7-175175.3-179.2178.10108.9I394I394-K404 PolarHBondContact N-O 2.94Å; I394-K404 PolarHBondContact O-N 2.7Å
405C87.2Confident79.8Confident14 Ų1474.5 Ų74.510%0.09540%0.403CS..EExtended strand (participates in β ladder)trans-87.8130.7171.1-64.40000110.3C387 D414C387-C405 WeakPolarHBondContact CA-SG 3.34Å; C387-C405 HydrophobicContact CB-CB 3.75Å; C387-C405 WeakPolarHBondContact CB-SG 3.47Å; C387-C405 WeakPolarHBondContact SG-CA 3.49Å; C387-C405 WeakPolarHBondContact SG-CB 3.37Å; C387-C405 CovalentContact SG-SG 2.02Å; C387-C405 PolarHBondContact SG-SG 2.97Å; C405-D414 WeakPolarHBondContact CB-O 3.31Å; C405-D414 PolarHBondContact SG-O 3.15Å
406I84.5Confident80.1Confident82 Ų8272.2 Ų72.242%0.42139%0.392SS..EExtended strand (participates in β ladder)trans-95.6113.5162.3-59.3-172.6000107.1G391 Q392 I394G391-I406 CarbonylContact C-O 3.6Å; G391-I406 VanDerWaalsContact CA-O 3.25Å; G391-I406 WeakPolarHBondContact CA-O 3.23Å; Q392-I406 HydrophobicContact CB-CB 4.33Å; Q392-I406 PolarHBondContact N-O 2.79Å; Q392-I406 PolarHBondContact O-N 2.7Å; I394-I406 HydrophobicContact CD1-CD1 3.33Å; I394-I406 HydrophobicContact CD1-CG1 3.8Å; I394-I406 HydrophobicContact CG1-CD1 4.35Å; I394-I406 HydrophobicContact CG1-CG1 4.45Å
407C84.2Confident80.4Confident36 Ų3673 Ų7324%0.24339%0.394CS..  trans-80.1140.5-178.7-53.60000111.4Y411 C416C407-Y411 WeakPolarHBondContact CB-O 3.42Å; C407-C416 WeakPolarHBondContact CA-SG 3.44Å; C407-C416 HydrophobicContact CB-CB 3.63Å; C407-C416 WeakPolarHBondContact CB-SG 3.07Å; C407-C416 PolarHBondContact N-SG 3.43Å; C407-C416 WeakPolarHBondContact SG-CA 3.19Å; C407-C416 WeakPolarHBondContact SG-CB 3.33Å; C407-C416 CovalentContact SG-SG 2.03Å; C407-C416 PolarHBondContact SG-SG 2.96Å
408N80.4Confident80.9Confident77 Ų7770.8 Ų70.841%0.41238%0.376SS..  trans-63.9156.5167.2-75.2-22.9000110.3N389 S390 G410 Y411N389-N408 PolarHBondContact O-ND2 3.39Å; S390-N408 PolarHBondContact O-ND2 3.05Å; N408-G410 PolarHBondContact O-N 3.4Å; N408-Y411 HydrophobicContact CB-CD2 4.46Å; N408-Y411 PolarHBondContact O-N 2.82Å; N408-Y411 VanDerWaalsContact O-N 3.08Å
409H75.8Confident81Confident137 Ų13769.9 Ų69.963%0.63437%0.367SS*.THydrogen-bonded Turntrans-45.9128.1-172.6-58.5-67.5000113.5Y411 I460H409-Y411 VanDerWaalsContact C-N 3.3Å; H409-Y411 PolarHBondContact O-N 3.49Å; H409-I460 CarbonylContact C-O 3.59Å; H409-I460 HydrophobicContact CB-CB 4.02Å; H409-I460 HydrophobicContact CB-CG2 4Å
410G71.5Confident81.2Confident27 Ų2768.3 Ų68.328%0.27836%0.36SS..THydrogen-bonded Turntrans87.6-24.6178.300000115.2N408 P420N408-G410 PolarHBondContact O-N 3.4Å; G410-P420 WeakPolarHBondContact O-CA 3.44Å; G410-P420 WeakPolarHBondContact O-CB 3.46Å
411Y82.6Confident81.5Confident34 Ų3471.3 Ų71.313%0.13338%0.377CS..  trans-79.5143.3176.6-66.3-86.5000111.5N389 C407 N408 H409 I418 E419N389-Y411 HydrophobicContact CB-CD1 3.68Å; N389-Y411 HydrophobicContact CB-CD2 4.24Å; N389-Y411 HydrophobicContact CB-CE1 3.66Å; N389-Y411 HydrophobicContact CB-CE2 4.23Å; N389-Y411 HydrophobicContact CB-CG 3.97Å; N389-Y411 VanDerWaalsContact ND2-CD1 3.26Å; N389-Y411 WeakPolarHBondContact ND2-CD1 3.5Å; N389-Y411 VanDerWaalsContact ND2-CE1 3.3Å; N389-Y411 WeakPolarHBondContact ND2-CE1 3.15Å; C407-Y411 WeakPolarHBondContact CB-O 3.42Å; N408-Y411 HydrophobicContact CB-CD2 4.46Å; N408-Y411 PolarHBondContact O-N 2.82Å; N408-Y411 VanDerWaalsContact O-N 3.08Å; H409-Y411 VanDerWaalsContact C-N 3.3Å; H409-Y411 PolarHBondContact O-N 3.49Å; Y411-I418 WeakPolarHBondContact CA-O 3.46Å; Y411-E419 HydrophobicContact CE1-CB 4.25Å; Y411-E419 HydrophobicContact CE1-CG 4.03Å
412T82.6Confident81.7Confident76 Ų7674 Ų7447%0.46640%0.395SS..BIsolated β-bridgetrans-138.9-178.2-179.458.90000110.9C416 E417 I418T412-C416 CarbonylContact O-C 3.51Å; T412-C416 VanDerWaalsContact O-C 3.31Å; T412-C416 VanDerWaalsContact O-CA 3.28Å; T412-C416 WeakPolarHBondContact O-CA 3.31Å; T412-E417 PolarHBondContact O-N 2.61Å; T412-I418 PolarHBondContact N-O 3.38Å; T412-I418 WeakPolarHBondContact O-CA 3.43Å; T412-I418 VanDerWaalsContact O-CB 3.27Å; T412-I418 WeakPolarHBondContact O-CB 3.01Å; T412-I418 PolarHBondContact O-N 3.28Å; T412-I418 WeakPolarHBondContact OG1-CB 3.48Å; T412-I418 WeakPolarHBondContact OG1-CG2 3.21Å
413G86.7Confident81.9Confident27 Ų2770.2 Ų70.228%0.27838%0.376SS..SBendtrans92.6159.7-170.600000111.9H415 C416G413-H415 PolarHBondContact O-N 3.3Å; G413-H415 VanDerWaalsContact O-N 3.15Å; G413-C416 PolarHBondContact O-N 3.21Å; G413-C416 VanDerWaalsContact O-N 3.13Å
414D85.6Confident82.1Confident137 Ų13771.5 Ų71.573%0.73339%0.387SS*.THydrogen-bonded Turntrans-63-23.3-175.8-68.9-25000112.4C405C405-D414 WeakPolarHBondContact CB-O 3.31Å; C405-D414 PolarHBondContact SG-O 3.15Å
415H86.5Confident82.3Confident65 Ų6566.5 Ų66.530%0.30136%0.364SS..THydrogen-bonded Turntrans-117.815.4179.6-54.581.4000112.3R388 Y403 G413 E417R388-H415 WeakPolarHBondContact CB-O 3.39Å; R388-H415 PolarHBondContact N-O 2.98Å; Y403-H415 AromaticContact CE2-CD2 3.98Å; Y403-H415 AromaticContact CE2-NE2 3.99Å; Y403-H415 AromaticContact CZ-NE2 3.65Å; Y403-H415 PolarHBondContact OH-CD2 3Å; Y403-H415 VanDerWaalsContact OH-CD2 3.26Å; Y403-H415 PolarHBondContact OH-NE2 3.07Å; G413-H415 PolarHBondContact O-N 3.3Å; G413-H415 VanDerWaalsContact O-N 3.15Å; H415-E417 WeakPolarHBondContact CA-OE2 3.13Å; H415-E417 VanDerWaalsContact CB-OE2 3.26Å; H415-E417 WeakPolarHBondContact CB-OE2 3.41Å; H415-E417 PolarHBondContact N-OE2 3.18Å; H415-E417 PolarHBondContact O-N 2.98Å
416C87.2Confident82.5Confident1 Ų167 Ų671%0.00737%0.368CS..SBendtrans58.127.2-176.5-46.30000113.6R388 N389 C407 T412 G413R388-C416 WeakPolarHBondContact O-CB 3.28Å; N389-C416 PolarHBondContact ND2-O 2.78Å; C407-C416 WeakPolarHBondContact CA-SG 3.44Å; C407-C416 HydrophobicContact CB-CB 3.63Å; C407-C416 WeakPolarHBondContact CB-SG 3.07Å; C407-C416 PolarHBondContact N-SG 3.43Å; C407-C416 WeakPolarHBondContact SG-CA 3.19Å; C407-C416 WeakPolarHBondContact SG-CB 3.33Å; C407-C416 CovalentContact SG-SG 2.03Å; C407-C416 PolarHBondContact SG-SG 2.96Å; T412-C416 CarbonylContact O-C 3.51Å; T412-C416 VanDerWaalsContact O-C 3.31Å; T412-C416 VanDerWaalsContact O-CA 3.28Å; T412-C416 WeakPolarHBondContact O-CA 3.31Å; G413-C416 PolarHBondContact O-N 3.21Å; G413-C416 VanDerWaalsContact O-N 3.13Å
417E84.3Confident82.8Confident81 Ų8169.7 Ų69.738%0.37939%0.388SS..  trans-81.5-21.5-176.373.3-75.7-175.800113.5T412 H415 E419T412-E417 PolarHBondContact O-N 2.61Å; H415-E417 WeakPolarHBondContact CA-OE2 3.13Å; H415-E417 VanDerWaalsContact CB-OE2 3.26Å; H415-E417 WeakPolarHBondContact CB-OE2 3.41Å; H415-E417 PolarHBondContact N-OE2 3.18Å; H415-E417 PolarHBondContact O-N 2.98Å; E417-E419 PolarHBondContact O-N 3.02Å
418I82.9Confident83.2Confident87 Ų8770.6 Ų70.645%0.44639%0.386SS..BIsolated β-bridgetrans-84.7113.6-179-53175.6000108Y411 T412Y411-I418 WeakPolarHBondContact CA-O 3.46Å; T412-I418 PolarHBondContact N-O 3.38Å; T412-I418 WeakPolarHBondContact O-CA 3.43Å; T412-I418 VanDerWaalsContact O-CB 3.27Å; T412-I418 WeakPolarHBondContact O-CB 3.01Å; T412-I418 PolarHBondContact O-N 3.28Å; T412-I418 WeakPolarHBondContact OG1-CB 3.48Å; T412-I418 WeakPolarHBondContact OG1-CG2 3.21Å
419E78.7Confident83.8Confident132 Ų13269 Ų6962%0.61738%0.381SS*.PPolyproline II helixtrans-69.3148.7175.1-53.5-162.3151.300111.1Y411 E417Y411-E419 HydrophobicContact CE1-CB 4.25Å; Y411-E419 HydrophobicContact CE1-CG 4.03Å; E417-E419 PolarHBondContact O-N 3.02Å
420P76.2Confident84.6Confident24 Ų2466.6 Ų66.616%0.15639%0.385CS..PPolyproline II helixtrans-58.9156.7171.623-31.3000111G410 Q462G410-P420 WeakPolarHBondContact O-CA 3.44Å; G410-P420 WeakPolarHBondContact O-CB 3.46Å; P420-Q462 HydrophobicContact CB-CG 4.17Å
421T78.5Confident85.3Confident104 Ų10469.6 Ų69.664%0.63839%0.388SS*.PPolyproline II helixtrans-51.9140.5174.951.50000110.7A423 Q462T421-A423 PolarHBondContact O-N 2.96Å; T421-Q462 WeakPolarHBondContact O-CG 3.38Å; T421-Q462 PolarHBondContact O-NE2 3.36Å; T421-Q462 PolarHBondContact OG1-NE2 3.34Å
422P73.7Confident85.6Confident97 Ų9769.7 Ų69.763%0.6339%0.394SS*.PPolyproline II helixtrans-59.1141-174.822.5-32.3000110.7
423A83.4Confident85.7Confident10 Ų1071.5 Ų71.58%0.08340%0.4CS..PPolyproline II helixtrans-65.3155.2173.500000110.6T421 C455 I456 T457 Q462 K463 C464T421-A423 PolarHBondContact O-N 2.96Å; A423-C455 WeakPolarHBondContact CB-SG 3.25Å; A423-I456 WeakPolarHBondContact CB-O 3.5Å; A423-T457 HydrophobicContact CB-CG2 3.96Å; A423-Q462 HydrophobicContact CB-CB 3.76Å; A423-K463 PolarHBondContact N-O 2.85Å; A423-C464 HydrophobicContact CB-CB 4.43Å; A423-C464 WeakPolarHBondContact CB-SG 3.03Å
424I86.1Confident85.7Confident102 Ų10271.4 Ų71.452%0.52340%0.396SS..EExtended strand (participates in β ladder)trans-97.5133.3-179.3-57.6178.3000108.4I456 Y458I424-I456 PolarHBondContact N-O 3.23Å; I424-I456 WeakPolarHBondContact O-CA 3.38Å; I424-I456 WeakPolarHBondContact O-CB 3.37Å; I424-I456 PolarHBondContact O-N 3.3Å; I424-Y458 HydrophobicContact CD1-CE2 4.2Å
425W90.2Very high85.7Confident46 Ų4667.4 Ų67.417%0.17438%0.376CS..EExtended strand (participates in β ladder)trans-71136.2169-75110.3000110.6R453 C455 C464 V465 G466 T468W425-R453 HydrophobicContact CD2-CG 4.07Å; W425-R453 VanDerWaalsContact CD2-CZ 3.42Å; W425-R453 VanDerWaalsContact CD2-NE 3.27Å; W425-R453 VanDerWaalsContact CE2-NH2 3.32Å; W425-R453 HydrophobicContact CE3-CB 4.27Å; W425-R453 HydrophobicContact CE3-CG 3.53Å; W425-R453 VanDerWaalsContact CG-NH1 3.27Å; W425-R453 HydrophobicContact CZ3-CG 3.97Å; W425-R453 VanDerWaalsContact NE1-NH2 3.19Å; W425-C455 HydrophobicContact CE3-CB 4.25Å; W425-C455 HydrophobicContact CH2-CB 4.44Å; W425-C455 HydrophobicContact CZ3-CB 3.92Å; W425-C464 HydrophobicContact CD2-CB 3.77Å; W425-C464 HydrophobicContact CE3-CB 4.13Å; W425-C464 HydrophobicContact CG-CB 4.44Å; W425-C464 HydrophobicContact CH2-CB 3.65Å; W425-C464 HydrophobicContact CZ2-CB 3.24Å; W425-C464 HydrophobicContact CZ3-CB 4.08Å; W425-V465 PolarHBondContact NE1-O 2.69Å; W425-G466 WeakPolarHBondContact CZ2-O 3.23Å; W425-T468 HydrophobicContact CH2-CG2 3.55Å; W425-T468 HydrophobicContact CZ3-CG2 3.88Å
426S91.1Very high85.5Confident26 Ų2665.4 Ų65.418%0.18237%0.366CS..PPolyproline II helixtrans-58.6162161.854.40000111.3T454S426-T454 WeakPolarHBondContact CB-O 3.32Å; S426-T454 PolarHBondContact N-O 2.8Å; S426-T454 PolarHBondContact OG-N 3.11Å; S426-T454 PolarHBondContact OG-O 3.13Å; S426-T454 PolarHBondContact OG-OG1 3.39Å; S426-T454 VanDerWaalsContact OG-OG1 3.1Å
427V91.1Very high85.3Confident137 Ų13766 Ų6683%0.8337%0.369SS*.PPolyproline II helixtrans-59142170.4-169.10000108.8S429V427-S429 PolarHBondContact O-N 2.93Å
428W92.4Very high85.2Confident55 Ų5567 Ų6721%0.20838%0.377CS..PPolyproline II helixtrans-56.2136.8173.2-70.7102.5000110.8Q451 R453 R470W428-Q451 HydrophobicContact CD2-CB 4.5Å; W428-Q451 HydrophobicContact CE3-CB 3.77Å; W428-Q451 HydrophobicContact CZ3-CB 4.43Å; W428-Q451 WeakPolarHBondContact CZ3-O 3.34Å; W428-R453 HydrophobicContact CD2-CB 4.22Å; W428-R453 HydrophobicContact CD2-CG 4.22Å; W428-R453 HydrophobicContact CE3-CB 3.91Å; W428-R453 HydrophobicContact CE3-CG 3.86Å; W428-R453 HydrophobicContact CH2-CG 3.68Å; W428-R453 HydrophobicContact CZ2-CG 4.03Å; W428-R453 HydrophobicContact CZ3-CB 4.14Å; W428-R453 HydrophobicContact CZ3-CG 3.59Å; W428-R470 HydrophobicContact CH2-CB 4.33Å; W428-R470 HydrophobicContact CH2-CG 3.59Å; W428-R470 HydrophobicContact CZ2-CG 3.95Å; W428-R470 HydrophobicContact CZ3-CB 4.32Å; W428-R470 HydrophobicContact CZ3-CG 4.07Å
429S93.4Very high85Confident45 Ų4566.6 Ų66.632%0.31538%0.376SS..PPolyproline II helixtrans-60.3162.6170710000111V427 Q451 T452V427-S429 PolarHBondContact O-N 2.93Å; S429-Q451 VanDerWaalsContact O-CG 3.28Å; S429-Q451 WeakPolarHBondContact O-CG 3.23Å; S429-Q451 PolarHBondContact O-NE2 2.83Å; S429-T452 WeakPolarHBondContact CB-O 3.38Å; S429-T452 PolarHBondContact N-O 2.04Å; S429-T452 PolarHBondContact OG-N 2.87Å; S429-T452 PolarHBondContact OG-O 2.84Å
430A91.2Very high84.9Confident86 Ų8667.5 Ų67.571%0.71139%0.385SS*.PPolyproline II helixtrans-56.4152.8164.300000110.6S432A430-S432 PolarHBondContact O-N 2.87Å
431W87.7Confident85.1Confident89 Ų8970.8 Ų70.834%0.33740%0.398SS..PPolyproline II helixtrans-61.1124.7174.2-76.7108.1000109.8R449 Q451 T472W431-R449 HydrophobicContact CB-CB 4.46Å; W431-R449 HydrophobicContact CD2-CB 4.4Å; W431-R449 HydrophobicContact CE3-CB 3.66Å; W431-R449 HydrophobicContact CZ3-CB 4.39Å; W431-R449 VanDerWaalsContact CZ3-O 3.31Å; W431-R449 WeakPolarHBondContact CZ3-O 3.42Å; W431-R449 PolarHBondContact O-NH2 3.36Å; W431-R449 VanDerWaalsContact O-NH2 3.15Å; W431-Q451 HydrophobicContact CB-CG 4.48Å; W431-Q451 VanDerWaalsContact CD1-NE2 3.31Å; W431-Q451 HydrophobicContact CD2-CG 3.51Å; W431-Q451 VanDerWaalsContact CE2-CD 3.49Å; W431-Q451 HydrophobicContact CE3-CB 4.42Å; W431-Q451 HydrophobicContact CE3-CG 3.58Å; W431-Q451 HydrophobicContact CG-CG 3.93Å; W431-Q451 HydrophobicContact CH2-CG 4.23Å; W431-Q451 HydrophobicContact CZ2-CG 4.2Å; W431-Q451 HydrophobicContact CZ3-CB 4.39Å; W431-Q451 HydrophobicContact CZ3-CG 3.93Å; W431-T472 HydrophobicContact CD2-CG2 4.04Å; W431-T472 HydrophobicContact CE3-CG2 3.63Å; W431-T472 HydrophobicContact CH2-CG2 3.41Å; W431-T472 VanDerWaalsContact CH2-CG2 3.41Å; W431-T472 HydrophobicContact CZ2-CG2 3.8Å; W431-T472 HydrophobicContact CZ3-CG2 3.33Å
432S88.1Confident85.3Confident36 Ų3666.5 Ų66.525%0.25237%0.371SS..PPolyproline II helixtrans-57.5165.217373.50000111.5A430 R449 Q450A430-S432 PolarHBondContact O-N 2.87Å; S432-R449 PolarHBondContact O-NE 2.05Å; S432-R449 PolarHBondContact O-NH2 2.82Å; S432-Q450 WeakPolarHBondContact CB-O 3.31Å; S432-Q450 PolarHBondContact N-O 3.08Å; S432-Q450 PolarHBondContact OG-N 3.38Å; S432-Q450 PolarHBondContact OG-O 3.12Å
433N85.4Confident85.4Confident114 Ų11465.1 Ų65.161%0.6136%0.363SS*.SBendtrans-61.8163162-65.1-15.9000110V435N433-V435 PolarHBondContact O-N 3.21Å
434C85.5Confident85.1Confident26 Ų2672.8 Ų72.818%0.17640%0.397CS..PPolyproline II helixtrans-57.9121178.6-67.80000110.7C476C434-C476 VanDerWaalsContact CA-SG 3.54Å; C434-C476 HydrophobicContact CB-CB 3.98Å; C434-C476 WeakPolarHBondContact CB-SG 3.29Å; C434-C476 WeakPolarHBondContact SG-CA 3.01Å; C434-C476 WeakPolarHBondContact SG-CB 3.25Å; C434-C476 CovalentContact SG-SG 2.04Å; C434-C476 PolarHBondContact SG-SG 2.84Å
435V86Confident85Confident53 Ų5371.3 Ų71.332%0.32139%0.389SS..BIsolated β-bridgetrans-87.4118.9169.8-176.80000106.8N433 P447 Y448N433-V435 PolarHBondContact O-N 3.21Å; V435-P447 WeakPolarHBondContact O-CA 3.44Å; V435-Y448 HydrophobicContact CB-CE2 4.3Å; V435-Y448 PolarHBondContact N-O 2.83Å; V435-Y448 PolarHBondContact O-N 2.77Å; V435-Y448 VanDerWaalsContact O-N 3.15Å
436W83Confident84.6Confident23 Ų2375.9 Ų75.99%0.08741%0.41CS..PPolyproline II helixtrans-97135179.2-69.283.3000109.5I442 P447 D477 L481 I489 L497W436-I442 HydrophobicContact CE3-CD1 4.2Å; W436-I442 HydrophobicContact CZ3-CD1 4.42Å; W436-P447 HydrophobicContact CD2-CB 3.8Å; W436-P447 HydrophobicContact CD2-CG 4.48Å; W436-P447 HydrophobicContact CE3-CB 3.6Å; W436-P447 HydrophobicContact CE3-CG 3.9Å; W436-P447 HydrophobicContact CG-CB 4.42Å; W436-P447 HydrophobicContact CH2-CB 4.05Å; W436-P447 HydrophobicContact CH2-CG 3.72Å; W436-P447 HydrophobicContact CZ2-CB 4.24Å; W436-P447 HydrophobicContact CZ2-CG 4.32Å; W436-P447 HydrophobicContact CZ3-CB 3.73Å; W436-P447 HydrophobicContact CZ3-CG 3.49Å; W436-P447 VanDerWaalsContact CZ3-CG 3.49Å; W436-D477 WeakPolarHBondContact CH2-O 3.17Å; W436-L481 HydrophobicContact CD2-CD1 4.3Å; W436-L481 HydrophobicContact CD2-CD2 4.49Å; W436-L481 HydrophobicContact CD2-CG 4.46Å; W436-L481 HydrophobicContact CE3-CD1 3.88Å; W436-L481 HydrophobicContact CH2-CD1 3.27Å; W436-L481 HydrophobicContact CH2-CG 3.66Å; W436-L481 HydrophobicContact CZ2-CD1 3.72Å; W436-L481 HydrophobicContact CZ2-CD2 4.31Å; W436-L481 HydrophobicContact CZ2-CG 3.55Å; W436-L481 HydrophobicContact CZ3-CD1 3.35Å; W436-L481 HydrophobicContact CZ3-CG 4.14Å; W436-I489 HydrophobicContact CB-CD1 4.24Å; W436-I489 HydrophobicContact CG-CD1 3.86Å; W436-L497 HydrophobicContact CB-CD1 4.21Å; W436-L497 HydrophobicContact CB-CD2 4.44Å; W436-L497 HydrophobicContact CE3-CD2 4.43Å; W436-L497 HydrophobicContact CG-CD1 4.41Å
437P82.8Confident84.3Confident13 Ų1375.4 Ų75.48%0.08441%0.407CS..PPolyproline II helixtrans-63.9167.4173.932.1-38.7000110.6E441 I442 I445P437-E441 HydrophobicContact CB-CB 4.18Å; P437-I442 HydrophobicContact CG-CB 3.95Å; P437-I442 HydrophobicContact CG-CD1 4.31Å; P437-I442 HydrophobicContact CG-CG1 3.91Å; P437-I445 HydrophobicContact CB-CB 4.16Å; P437-I445 HydrophobicContact CB-CG2 4.24Å; P437-I445 WeakPolarHBondContact CG-O 3.19Å
438D83Confident84.2Confident101 Ų10171.5 Ų71.554%0.5438%0.377SS..PPolyproline II helixtrans-69159.4171.4-77.3-34.2000111.5N440 E441 I442 K493D438-N440 PolarHBondContact O-N 2.81Å; D438-N440 VanDerWaalsContact O-N 3.08Å; D438-E441 PolarHBondContact O-N 3.04Å; D438-I442 PolarHBondContact O-N 3.34Å; D438-K493 IonicContact OD1-NZ 2.67Å
439L78.1Confident84.1Confident79 Ų7972.7 Ų72.741%0.41438%0.382SS..THydrogen-bonded Turntrans-55.2-34.5-170.5-167.466.9000113.1I442 D496 A500L439-I442 WeakPolarHBondContact O-CG2 3.35Å; L439-D496 VanDerWaalsContact CD1-C 3.42Å; L439-D496 HydrophobicContact CD1-CB 3.73Å; L439-D496 VanDerWaalsContact CD1-O 3.29Å; L439-D496 WeakPolarHBondContact CD1-O 3.45Å; L439-D496 HydrophobicContact CD2-CB 4.2Å; L439-A500 HydrophobicContact CD1-CB 3.48Å; L439-A500 VanDerWaalsContact CD1-CB 3.48Å; L439-A500 HydrophobicContact CG-CB 4.17Å
440N76.1Confident84Confident151 Ų15173.4 Ų73.481%0.80738%0.38SS*.THydrogen-bonded Turntrans-82.1-16-178.4-62.4-9.7000113.3D438D438-N440 PolarHBondContact O-N 2.81Å; D438-N440 VanDerWaalsContact O-N 3.08Å
441E81.1Confident84.1Confident94 Ų9470.7 Ų70.744%0.43935%0.353SS..THydrogen-bonded Turntrans-102-11.6-175.1-64.2-176.9158.600112.6P437 D438 C443 H444 I445P437-E441 HydrophobicContact CB-CB 4.18Å; D438-E441 PolarHBondContact O-N 3.04Å; E441-C443 PolarHBondContact O-N 3.06Å; E441-C443 VanDerWaalsContact O-N 3.16Å; E441-H444 PolarHBondContact O-N 3.04Å; E441-I445 HydrophobicContact CB-CD1 4.15Å; E441-I445 HydrophobicContact CB-CG1 4.49Å; E441-I445 PolarHBondContact O-N 2.81Å
442I81.3Confident84.3Confident14 Ų1469.8 Ų69.87%0.07236%0.357CS..THydrogen-bonded Turntrans-63.4-25.3-170.8-164.9156.4000114.5W436 P437 D438 L439 H444 L497 A500 V501W436-I442 HydrophobicContact CE3-CD1 4.2Å; W436-I442 HydrophobicContact CZ3-CD1 4.42Å; P437-I442 HydrophobicContact CG-CB 3.95Å; P437-I442 HydrophobicContact CG-CD1 4.31Å; P437-I442 HydrophobicContact CG-CG1 3.91Å; D438-I442 PolarHBondContact O-N 3.34Å; L439-I442 WeakPolarHBondContact O-CG2 3.35Å; I442-H444 PolarHBondContact O-N 3.47Å; I442-L497 HydrophobicContact CD1-CB 4.33Å; I442-L497 HydrophobicContact CD1-CD2 3.32Å; I442-L497 HydrophobicContact CD1-CG 4.44Å; I442-A500 HydrophobicContact CG2-CB 3.69Å; I442-V501 HydrophobicContact CD1-CG2 3.45Å; I442-V501 VanDerWaalsContact CD1-CG2 3.45Å; I442-V501 HydrophobicContact CG1-CG2 3.68Å; I442-V501 HydrophobicContact CG2-CG2 4.45Å
443C76.4Confident84.6Confident68 Ų6869.9 Ų69.946%0.45935%0.352SS..THydrogen-bonded Turntrans-70.8-20.1174.9-58.60000113E441 C504E441-C443 PolarHBondContact O-N 3.06Å; E441-C443 VanDerWaalsContact O-N 3.16Å; C443-C504 WeakPolarHBondContact CA-SG 3.01Å; C443-C504 HydrophobicContact CB-CB 3.8Å; C443-C504 WeakPolarHBondContact CB-SG 3.37Å; C443-C504 WeakPolarHBondContact SG-CB 3.04Å; C443-C504 CovalentContact SG-SG 2.03Å; C443-C504 PolarHBondContact SG-SG 2.86Å
444H78.3Confident84.8Confident170 Ų17069.2 Ų69.279%0.78735%0.352SS*.THydrogen-bonded Turntrans-115.9-24.6-173.8-58.8-51.7000113E441 I442E441-H444 PolarHBondContact O-N 3.04Å; I442-H444 PolarHBondContact O-N 3.47Å
445I82.6Confident84.9Confident72 Ų7270.4 Ų70.437%0.36936%0.36SS..SBendtrans-117.4119.4-178.4-56.8-178.1000108.9P437 E441P437-I445 HydrophobicContact CB-CB 4.16Å; P437-I445 HydrophobicContact CB-CG2 4.24Å; P437-I445 WeakPolarHBondContact CG-O 3.19Å; E441-I445 HydrophobicContact CB-CD1 4.15Å; E441-I445 HydrophobicContact CB-CG1 4.49Å; E441-I445 PolarHBondContact O-N 2.81Å
446K82.7Confident85Confident142 Ų14270.9 Ų70.962%0.61736%0.36SS*.  trans-76141.6174.4-70.4178.1-177.4170.50110.3H473K446-H473 WeakPolarHBondContact CB-ND1 3.09Å; K446-H473 PolarHBondContact O-CE1 2.76Å; K446-H473 PolarHBondContact O-ND1 2.82Å
447P84.4Confident84.8Confident16 Ų1673.3 Ų73.310%0.10438%0.378CS..  trans-59.3149.6172.930.9-39.5000110.4V435 W436 H473 C476V435-P447 WeakPolarHBondContact O-CA 3.44Å; W436-P447 HydrophobicContact CD2-CB 3.8Å; W436-P447 HydrophobicContact CD2-CG 4.48Å; W436-P447 HydrophobicContact CE3-CB 3.6Å; W436-P447 HydrophobicContact CE3-CG 3.9Å; W436-P447 HydrophobicContact CG-CB 4.42Å; W436-P447 HydrophobicContact CH2-CB 4.05Å; W436-P447 HydrophobicContact CH2-CG 3.72Å; W436-P447 HydrophobicContact CZ2-CB 4.24Å; W436-P447 HydrophobicContact CZ2-CG 4.32Å; W436-P447 HydrophobicContact CZ3-CB 3.73Å; W436-P447 HydrophobicContact CZ3-CG 3.49Å; W436-P447 VanDerWaalsContact CZ3-CG 3.49Å; P447-H473 PolarHBondContact O-ND1 3.47Å; P447-C476 HydrophobicContact CB-CB 4.04Å; P447-C476 HydrophobicContact CG-CB 4.03Å; P447-C476 WeakPolarHBondContact CG-O 3.05Å
448Y88.1Confident84.8Confident55 Ų5580.4 Ų80.422%0.21640%0.404CS..BIsolated β-bridgetrans-147.7157.8-175.561.8-91.4000112.1V435 Q450 I471 T472V435-Y448 HydrophobicContact CB-CE2 4.3Å; V435-Y448 PolarHBondContact N-O 2.83Å; V435-Y448 PolarHBondContact O-N 2.77Å; V435-Y448 VanDerWaalsContact O-N 3.15Å; Y448-Q450 HydrophobicContact CD2-CB 4.3Å; Y448-Q450 HydrophobicContact CE2-CB 4.19Å; Y448-I471 HydrophobicContact CD2-CB 3.88Å; Y448-I471 HydrophobicContact CD2-CG2 3.59Å; Y448-I471 HydrophobicContact CE2-CB 4.49Å; Y448-I471 HydrophobicContact CE2-CG2 3.71Å; Y448-I471 HydrophobicContact CG-CB 4.28Å; Y448-I471 HydrophobicContact CG-CG2 4.35Å; Y448-T472 CarbonylContact C-O 3.42Å; Y448-T472 VanDerWaalsContact CA-O 3.25Å; Y448-T472 WeakPolarHBondContact CA-O 3.32Å; Y448-T472 WeakPolarHBondContact CB-O 3.3Å
449R90.2Very high84.2Confident80 Ų8079.1 Ų79.130%0.30240%0.4SS..EExtended strand (participates in β ladder)trans-97.3148.7164.3-52179.565.1176.3-0.6107.9W431 S432 I471 T472 C476W431-R449 HydrophobicContact CB-CB 4.46Å; W431-R449 HydrophobicContact CD2-CB 4.4Å; W431-R449 HydrophobicContact CE3-CB 3.66Å; W431-R449 HydrophobicContact CZ3-CB 4.39Å; W431-R449 VanDerWaalsContact CZ3-O 3.31Å; W431-R449 WeakPolarHBondContact CZ3-O 3.42Å; W431-R449 PolarHBondContact O-NH2 3.36Å; W431-R449 VanDerWaalsContact O-NH2 3.15Å; S432-R449 PolarHBondContact O-NE 2.05Å; S432-R449 PolarHBondContact O-NH2 2.82Å; R449-I471 WeakPolarHBondContact O-CA 3.46Å; R449-T472 HydrophobicContact CB-CG2 4.09Å; R449-T472 PolarHBondContact N-O 3.35Å; R449-T472 PolarHBondContact O-N 2.92Å; R449-C476 WeakPolarHBondContact CG-SG 3.21Å
450Q91.7Very high83.9Confident59 Ų5981.3 Ų81.328%0.27641%0.41SS..EExtended strand (participates in β ladder)trans-124.4149175.863.5179.77.500112.3S432 Y448 R470 I471S432-Q450 WeakPolarHBondContact CB-O 3.31Å; S432-Q450 PolarHBondContact N-O 3.08Å; S432-Q450 PolarHBondContact OG-N 3.38Å; S432-Q450 PolarHBondContact OG-O 3.12Å; Y448-Q450 HydrophobicContact CD2-CB 4.3Å; Y448-Q450 HydrophobicContact CE2-CB 4.19Å; Q450-R470 CarbonylContact C-O 3.52Å; Q450-R470 VanDerWaalsContact CA-O 3.22Å; Q450-R470 WeakPolarHBondContact CA-O 3.4Å; Q450-I471 HydrophobicContact CB-CG2 4.33Å
451Q93.7Very high83.5Confident30 Ų3075.5 Ų75.514%0.1439%0.386CS..EExtended strand (participates in β ladder)trans-114.8141.9164.2-73.1-178-24.300108.7W428 S429 W431 K469 R470W428-Q451 HydrophobicContact CD2-CB 4.5Å; W428-Q451 HydrophobicContact CE3-CB 3.77Å; W428-Q451 HydrophobicContact CZ3-CB 4.43Å; W428-Q451 WeakPolarHBondContact CZ3-O 3.34Å; S429-Q451 VanDerWaalsContact O-CG 3.28Å; S429-Q451 WeakPolarHBondContact O-CG 3.23Å; S429-Q451 PolarHBondContact O-NE2 2.83Å; W431-Q451 HydrophobicContact CB-CG 4.48Å; W431-Q451 VanDerWaalsContact CD1-NE2 3.31Å; W431-Q451 HydrophobicContact CD2-CG 3.51Å; W431-Q451 VanDerWaalsContact CE2-CD 3.49Å; W431-Q451 HydrophobicContact CE3-CB 4.42Å; W431-Q451 HydrophobicContact CE3-CG 3.58Å; W431-Q451 HydrophobicContact CG-CG 3.93Å; W431-Q451 HydrophobicContact CH2-CG 4.23Å; W431-Q451 HydrophobicContact CZ2-CG 4.2Å; W431-Q451 HydrophobicContact CZ3-CB 4.39Å; W431-Q451 HydrophobicContact CZ3-CG 3.93Å; Q451-K469 CarbonylContact O-C 3.58Å; Q451-K469 VanDerWaalsContact O-CA 3.29Å; Q451-K469 WeakPolarHBondContact O-CA 3.07Å; Q451-R470 PolarHBondContact N-O 3.07Å; Q451-R470 PolarHBondContact O-N 2.69Å
452T91.8Very high83.4Confident69 Ų6972 Ų7242%0.42337%0.37SS..EExtended strand (participates in β ladder)trans-122150.1176.454.20000110.1S429 T468 K469S429-T452 WeakPolarHBondContact CB-O 3.38Å; S429-T452 PolarHBondContact N-O 2.04Å; S429-T452 PolarHBondContact OG-N 2.87Å; S429-T452 PolarHBondContact OG-O 2.84Å; T452-T468 WeakPolarHBondContact CA-O 3.27Å; T452-K469 HydrophobicContact CG2-CB 4.41Å
453R93.8Very high83.3Confident39 Ų3978 Ų7815%0.14740%0.396CS..  trans-134.5145.5169.859.7178.4-177.6173.72.9109.1W425 W428 E467 T468W425-R453 HydrophobicContact CD2-CG 4.07Å; W425-R453 VanDerWaalsContact CD2-CZ 3.42Å; W425-R453 VanDerWaalsContact CD2-NE 3.27Å; W425-R453 VanDerWaalsContact CE2-NH2 3.32Å; W425-R453 HydrophobicContact CE3-CB 4.27Å; W425-R453 HydrophobicContact CE3-CG 3.53Å; W425-R453 VanDerWaalsContact CG-NH1 3.27Å; W425-R453 HydrophobicContact CZ3-CG 3.97Å; W425-R453 VanDerWaalsContact NE1-NH2 3.19Å; W428-R453 HydrophobicContact CD2-CB 4.22Å; W428-R453 HydrophobicContact CD2-CG 4.22Å; W428-R453 HydrophobicContact CE3-CB 3.91Å; W428-R453 HydrophobicContact CE3-CG 3.86Å; W428-R453 HydrophobicContact CH2-CG 3.68Å; W428-R453 HydrophobicContact CZ2-CG 4.03Å; W428-R453 HydrophobicContact CZ3-CB 4.14Å; W428-R453 HydrophobicContact CZ3-CG 3.59Å; R453-E467 PolarHBondContact NE-O 3.11Å; R453-E467 PolarHBondContact NH2-O 3.33Å; R453-T468 PolarHBondContact N-O 2.96Å
454T90.6Very high83.6Confident99 Ų9976 Ų7661%0.60738%0.382SS*.  trans-100.2149.1174.458.20000110.8S426S426-T454 WeakPolarHBondContact CB-O 3.32Å; S426-T454 PolarHBondContact N-O 2.8Å; S426-T454 PolarHBondContact OG-N 3.11Å; S426-T454 PolarHBondContact OG-O 3.13Å; S426-T454 PolarHBondContact OG-OG1 3.39Å; S426-T454 VanDerWaalsContact OG-OG1 3.1Å
455C87.6Confident83.6Confident52 Ų5274 Ų7435%0.35138%0.381SS..EExtended strand (participates in β ladder)trans-82.7120.3176.7-175.50000109.8A423 W425 C464A423-C455 WeakPolarHBondContact CB-SG 3.25Å; W425-C455 HydrophobicContact CE3-CB 4.25Å; W425-C455 HydrophobicContact CH2-CB 4.44Å; W425-C455 HydrophobicContact CZ3-CB 3.92Å; C455-C464 WeakPolarHBondContact CA-SG 3.3Å; C455-C464 HydrophobicContact CB-CB 3.78Å; C455-C464 WeakPolarHBondContact CB-SG 3.5Å; C455-C464 WeakPolarHBondContact SG-CB 3.27Å; C455-C464 PolarHBondContact SG-N 3.46Å; C455-C464 VanDerWaalsContact SG-N 3.42Å; C455-C464 CovalentContact SG-SG 2.03Å; C455-C464 PolarHBondContact SG-SG 2.89Å
456I87.1Confident83.7Confident62 Ų6273.1 Ų73.132%0.31839%0.39SS..EExtended strand (participates in β ladder)trans-96.4112.6177.8-53.8172.8000108.1A423 I424 Y458A423-I456 WeakPolarHBondContact CB-O 3.5Å; I424-I456 PolarHBondContact N-O 3.23Å; I424-I456 WeakPolarHBondContact O-CA 3.38Å; I424-I456 WeakPolarHBondContact O-CB 3.37Å; I424-I456 PolarHBondContact O-N 3.3Å; I456-Y458 HydrophobicContact CG2-CE1 4.14Å; I456-Y458 HydrophobicContact CG2-CE2 4.12Å
457T80.4Confident83.8Confident74 Ų7472.6 Ų72.645%0.45439%0.39SS..  trans-106.1127.5175.761.70000109.4A423 Q462A423-T457 HydrophobicContact CB-CG2 3.96Å; T457-Q462 HydrophobicContact CG2-CB 4.07Å; T457-Q462 WeakPolarHBondContact CG2-O 3.2Å
458Y81.4Confident84Confident163 Ų16375.8 Ų75.864%0.63941%0.409SS*.SBendtrans-94.2-17.4173-58.8-78.8000111.9I424 I456I424-Y458 HydrophobicContact CD1-CE2 4.2Å; I456-Y458 HydrophobicContact CG2-CE1 4.14Å; I456-Y458 HydrophobicContact CG2-CE2 4.12Å
459V71.3Confident84.2Confident74 Ų7479 Ų7945%0.44842%0.424SS..SBendtrans-134.1141.9-179.8-168.70000109.4G461 Q462V459-G461 PolarHBondContact O-N 2.66Å; V459-Q462 HydrophobicContact CB-CG 4.17Å; V459-Q462 WeakPolarHBondContact O-CG 3.44Å; V459-Q462 PolarHBondContact O-N 3.25Å
460I71.1Confident84.3Confident124 Ų12481 Ų8164%0.63643%0.432SS*.THydrogen-bonded Turntrans-59.1132.2174.3-60.2172.9000108.9H409H409-I460 CarbonylContact C-O 3.59Å; H409-I460 HydrophobicContact CB-CB 4.02Å; H409-I460 HydrophobicContact CB-CG2 4Å
461G67.8Low84.3Confident30 Ų3082.7 Ų82.731%0.30944%0.442SS..THydrogen-bonded Turntrans100.2-15.5179.200000115V459V459-G461 PolarHBondContact O-N 2.66Å
462Q79.7Confident84.2Confident19 Ų1982.7 Ų82.79%0.08944%0.444CS..  trans-64.1142.1173.9-61.1-174.6-58.400111.1P420 T421 A423 T457 V459P420-Q462 HydrophobicContact CB-CG 4.17Å; T421-Q462 WeakPolarHBondContact O-CG 3.38Å; T421-Q462 PolarHBondContact O-NE2 3.36Å; T421-Q462 PolarHBondContact OG1-NE2 3.34Å; A423-Q462 HydrophobicContact CB-CB 3.76Å; T457-Q462 HydrophobicContact CG2-CB 4.07Å; T457-Q462 WeakPolarHBondContact CG2-O 3.2Å; V459-Q462 HydrophobicContact CB-CG 4.17Å; V459-Q462 WeakPolarHBondContact O-CG 3.44Å; V459-Q462 PolarHBondContact O-N 3.25Å
463K79.4Confident83.9Confident142 Ų14283.5 Ų83.562%0.61744%0.443SS*.  trans-128.4142.8177.2-64176.7-173.9171.60109.5A423A423-K463 PolarHBondContact N-O 2.85Å
464C82.7Confident83.4Confident26 Ų2688.2 Ų88.218%0.17647%0.47CS..  trans-89.3140171.9-65.60000110.4A423 W425 C455A423-C464 HydrophobicContact CB-CB 4.43Å; A423-C464 WeakPolarHBondContact CB-SG 3.03Å; W425-C464 HydrophobicContact CD2-CB 3.77Å; W425-C464 HydrophobicContact CE3-CB 4.13Å; W425-C464 HydrophobicContact CG-CB 4.44Å; W425-C464 HydrophobicContact CH2-CB 3.65Å; W425-C464 HydrophobicContact CZ2-CB 3.24Å; W425-C464 HydrophobicContact CZ3-CB 4.08Å; C455-C464 WeakPolarHBondContact CA-SG 3.3Å; C455-C464 HydrophobicContact CB-CB 3.78Å; C455-C464 WeakPolarHBondContact CB-SG 3.5Å; C455-C464 WeakPolarHBondContact SG-CB 3.27Å; C455-C464 PolarHBondContact SG-N 3.46Å; C455-C464 VanDerWaalsContact SG-N 3.42Å; C455-C464 CovalentContact SG-SG 2.03Å; C455-C464 PolarHBondContact SG-SG 2.89Å
465V78.6Confident82.9Confident127 Ų12786 Ų8677%0.7747%0.466SS*.  trans-100.8131.1176.8-178.20000109.8W425W425-V465 PolarHBondContact NE1-O 2.69Å
466G83.4Confident82.6Confident54 Ų5484 Ų8456%0.55745%0.453SS*.SBendtrans108.9-176.717900000113.8W425W425-G466 WeakPolarHBondContact CZ2-O 3.23Å
467E85.8Confident82.1Confident130 Ų13085 Ų8561%0.60746%0.459SS*.  trans-75.6146.1-172.1-59.5179.1157.100112.8R453R453-E467 PolarHBondContact NE-O 3.11Å; R453-E467 PolarHBondContact NH2-O 3.33Å
468T88.3Confident81.7Confident84 Ų8484.6 Ų84.652%0.51545%0.453SS..SBendtrans-85.1-18.3172.950.90000112.8W425 T452 R453W425-T468 HydrophobicContact CH2-CG2 3.55Å; W425-T468 HydrophobicContact CZ3-CG2 3.88Å; T452-T468 WeakPolarHBondContact CA-O 3.27Å; R453-T468 PolarHBondContact N-O 2.96Å
469K92Very high81.3Confident122 Ų12280.1 Ų80.153%0.5345%0.446SS..EExtended strand (participates in β ladder)trans-136.8145.4-176.365179.3-177.3176.70111.4Q451 T452Q451-K469 CarbonylContact O-C 3.58Å; Q451-K469 VanDerWaalsContact O-CA 3.29Å; Q451-K469 WeakPolarHBondContact O-CA 3.07Å; T452-K469 HydrophobicContact CG2-CB 4.41Å
470R92.4Very high81.2Confident121 Ų12177.9 Ų77.946%0.45743%0.432SS..EExtended strand (participates in β ladder)trans-126145.6168.6-75.3176.8-173.6173.74.3109.6W428 Q450 Q451W428-R470 HydrophobicContact CH2-CB 4.33Å; W428-R470 HydrophobicContact CH2-CG 3.59Å; W428-R470 HydrophobicContact CZ2-CG 3.95Å; W428-R470 HydrophobicContact CZ3-CB 4.32Å; W428-R470 HydrophobicContact CZ3-CG 4.07Å; Q450-R470 CarbonylContact C-O 3.52Å; Q450-R470 VanDerWaalsContact CA-O 3.22Å; Q450-R470 WeakPolarHBondContact CA-O 3.4Å; Q451-R470 PolarHBondContact N-O 3.07Å; Q451-R470 PolarHBondContact O-N 2.69Å
471I92.5Very high81.1Confident95 Ų9572 Ų7249%0.48740%0.402SS..EExtended strand (participates in β ladder)trans-119.3149.9179.364.5172.8000111Y448 R449 Q450Y448-I471 HydrophobicContact CD2-CB 3.88Å; Y448-I471 HydrophobicContact CD2-CG2 3.59Å; Y448-I471 HydrophobicContact CE2-CB 4.49Å; Y448-I471 HydrophobicContact CE2-CG2 3.71Å; Y448-I471 HydrophobicContact CG-CB 4.28Å; Y448-I471 HydrophobicContact CG-CG2 4.35Å; R449-I471 WeakPolarHBondContact O-CA 3.46Å; Q450-I471 HydrophobicContact CB-CG2 4.33Å
472T89.7Confident81.2Confident30 Ų3076.6 Ų76.618%0.18442%0.415CS..EExtended strand (participates in β ladder)trans-143.7140.6169.5-174.70000110.1W431 Y448 R449 I474W431-T472 HydrophobicContact CD2-CG2 4.04Å; W431-T472 HydrophobicContact CE3-CG2 3.63Å; W431-T472 HydrophobicContact CH2-CG2 3.41Å; W431-T472 VanDerWaalsContact CH2-CG2 3.41Å; W431-T472 HydrophobicContact CZ2-CG2 3.8Å; W431-T472 HydrophobicContact CZ3-CG2 3.33Å; Y448-T472 CarbonylContact C-O 3.42Å; Y448-T472 VanDerWaalsContact CA-O 3.25Å; Y448-T472 WeakPolarHBondContact CA-O 3.32Å; Y448-T472 WeakPolarHBondContact CB-O 3.3Å; R449-T472 HydrophobicContact CB-CG2 4.09Å; R449-T472 PolarHBondContact N-O 3.35Å; R449-T472 PolarHBondContact O-N 2.92Å; T472-I474 PolarHBondContact OG1-N 3.02Å
473H86.4Confident80.5Confident86 Ų8677.2 Ų77.240%0.39842%0.421SS..  trans-89.3-8.1175-61.4-71.5000112.6K446 P447 G475 C476K446-H473 WeakPolarHBondContact CB-ND1 3.09Å; K446-H473 PolarHBondContact O-CE1 2.76Å; K446-H473 PolarHBondContact O-ND1 2.82Å; P447-H473 PolarHBondContact O-ND1 3.47Å; H473-G475 PolarHBondContact O-N 3.14Å; H473-C476 PolarHBondContact O-N 3.04Å
474I82.8Confident79.6Confident139 Ų13979 Ų7971%0.71343%0.43SS*.THydrogen-bonded Turntrans-66.4126.7-175.5-61.3171.1000110T472 C476T472-I474 PolarHBondContact OG1-N 3.02Å; I474-C476 VanDerWaalsContact C-N 3.31Å
475G80.2Confident78.5Confident51 Ų5182.5 Ų82.553%0.52645%0.454SS..THydrogen-bonded Turntrans77.811.6-179.400000114.5H473 V480H473-G475 PolarHBondContact O-N 3.14Å; G475-V480 WeakPolarHBondContact O-CG2 3.33Å
476C80.8Confident77.4Confident11 Ų1181.3 Ų81.37%0.07444%0.443CS..  trans-115.782.2167.4-63.70000109.5C434 P447 R449 H473 I474C434-C476 VanDerWaalsContact CA-SG 3.54Å; C434-C476 HydrophobicContact CB-CB 3.98Å; C434-C476 WeakPolarHBondContact CB-SG 3.29Å; C434-C476 WeakPolarHBondContact SG-CA 3.01Å; C434-C476 WeakPolarHBondContact SG-CB 3.25Å; C434-C476 CovalentContact SG-SG 2.04Å; C434-C476 PolarHBondContact SG-SG 2.84Å; P447-C476 HydrophobicContact CB-CB 4.04Å; P447-C476 HydrophobicContact CG-CB 4.03Å; P447-C476 WeakPolarHBondContact CG-O 3.05Å; R449-C476 WeakPolarHBondContact CG-SG 3.21Å; H473-C476 PolarHBondContact O-N 3.04Å; I474-C476 VanDerWaalsContact C-N 3.31Å
477D77.6Confident76.4Confident83 Ų8379.9 Ų79.944%0.44442%0.423SS..SBendtrans-115.5176171.565.75000110.4W436 S479 V480W436-D477 WeakPolarHBondContact CH2-O 3.17Å; D477-S479 PolarHBondContact O-N 2.64Å; D477-S479 WeakPolarHBondContact OD1-CA 3.38Å; D477-S479 VanDerWaalsContact OD1-CB 3.26Å; D477-S479 WeakPolarHBondContact OD1-CB 3.01Å; D477-S479 PolarHBondContact OD1-N 2.72Å; D477-S479 PolarHBondContact OD1-OG 3.15Å; D477-S479 PolarHBondContact OD2-OG 3.14Å; D477-V480 PolarHBondContact O-N 2.61Å; D477-V480 VanDerWaalsContact O-N 3.16Å; D477-V480 WeakPolarHBondContact OD1-CG2 3.44Å; D477-V480 PolarHBondContact OD1-N 3.29Å
478L71.5Confident75.4Confident66 Ų6681.8 Ų81.835%0.34644%0.437SS..Hα-helixtrans-58.1-25.1174.7-87152.6000112.7V480 L481 H482 I498 V501L478-V480 PolarHBondContact O-N 3.05Å; L478-L481 HydrophobicContact CD2-CD1 4.09Å; L478-L481 WeakPolarHBondContact O-CB 3.26Å; L478-L481 PolarHBondContact O-N 3.05Å; L478-L481 VanDerWaalsContact O-N 3.08Å; L478-H482 PolarHBondContact O-CD2 3.24Å; L478-H482 PolarHBondContact O-N 2.89Å; L478-I498 HydrophobicContact CD2-CG1 4.21Å; L478-V501 HydrophobicContact CD1-CB 4.3Å; L478-V501 HydrophobicContact CD1-CG1 3.63Å; L478-V501 HydrophobicContact CD2-CB 4.27Å; L478-V501 HydrophobicContact CD2-CG1 4.48Å; L478-V501 HydrophobicContact CD2-CG2 4.33Å; L478-V501 HydrophobicContact CG-CG1 4.4Å
479S72.6Confident74.6Confident69 Ų6979.6 Ų79.648%0.48342%0.422SS..Hα-helixtrans-63.3-32.4178.886.80000111.8D477 L481 H482 S483D477-S479 PolarHBondContact O-N 2.64Å; D477-S479 WeakPolarHBondContact OD1-CA 3.38Å; D477-S479 VanDerWaalsContact OD1-CB 3.26Å; D477-S479 WeakPolarHBondContact OD1-CB 3.01Å; D477-S479 PolarHBondContact OD1-N 2.72Å; D477-S479 PolarHBondContact OD1-OG 3.15Å; D477-S479 PolarHBondContact OD2-OG 3.14Å; S479-L481 VanDerWaalsContact C-N 3.35Å; S479-L481 PolarHBondContact O-N 2.76Å; S479-H482 WeakPolarHBondContact O-CB 3.37Å; S479-H482 PolarHBondContact O-N 3.22Å; S479-H482 VanDerWaalsContact O-N 3.14Å; S479-S483 PolarHBondContact O-N 2.84Å; S479-S483 VanDerWaalsContact O-N 3.09Å
480V71Confident73.9Confident26 Ų2676.9 Ų76.916%0.15842%0.418CS..Hα-helixtrans-65-38.6174.3-170.20000110.9G475 D477 L478 H482 S483 I487G475-V480 WeakPolarHBondContact O-CG2 3.33Å; D477-V480 PolarHBondContact O-N 2.61Å; D477-V480 VanDerWaalsContact O-N 3.16Å; D477-V480 WeakPolarHBondContact OD1-CG2 3.44Å; D477-V480 PolarHBondContact OD1-N 3.29Å; L478-V480 PolarHBondContact O-N 3.05Å; V480-H482 PolarHBondContact O-N 3.12Å; V480-S483 VanDerWaalsContact O-CB 3.31Å; V480-S483 WeakPolarHBondContact O-CB 3.33Å; V480-S483 PolarHBondContact O-N 3.04Å; V480-I487 HydrophobicContact CB-CD1 4.17Å; V480-I487 HydrophobicContact CG1-CD1 3.55Å; V480-I487 HydrophobicContact CG1-CG1 3.69Å; V480-I487 WeakPolarHBondContact O-CD1 3.34Å
481L68.1Low73.2Confident1 Ų177.9 Ų77.91%0.00543%0.428CS..Hα-helixtrans-61-31.9174.5-80160.4000112.2W436 L478 S479 I487 R494 L497 I498W436-L481 HydrophobicContact CD2-CD1 4.3Å; W436-L481 HydrophobicContact CD2-CD2 4.49Å; W436-L481 HydrophobicContact CD2-CG 4.46Å; W436-L481 HydrophobicContact CE3-CD1 3.88Å; W436-L481 HydrophobicContact CH2-CD1 3.27Å; W436-L481 HydrophobicContact CH2-CG 3.66Å; W436-L481 HydrophobicContact CZ2-CD1 3.72Å; W436-L481 HydrophobicContact CZ2-CD2 4.31Å; W436-L481 HydrophobicContact CZ2-CG 3.55Å; W436-L481 HydrophobicContact CZ3-CD1 3.35Å; W436-L481 HydrophobicContact CZ3-CG 4.14Å; L478-L481 HydrophobicContact CD2-CD1 4.09Å; L478-L481 WeakPolarHBondContact O-CB 3.26Å; L478-L481 PolarHBondContact O-N 3.05Å; L478-L481 VanDerWaalsContact O-N 3.08Å; S479-L481 VanDerWaalsContact C-N 3.35Å; S479-L481 PolarHBondContact O-N 2.76Å; L481-I487 HydrophobicContact CD2-CD1 4.18Å; L481-I487 HydrophobicContact CG-CD1 4.27Å; L481-R494 HydrophobicContact CB-CG 4.41Å; L481-R494 HydrophobicContact CD2-CB 4.31Å; L481-R494 HydrophobicContact CD2-CG 3.76Å; L481-R494 VanDerWaalsContact O-CD 3.23Å; L481-R494 WeakPolarHBondContact O-CD 3.31Å; L481-R494 PolarHBondContact O-NH1 3.19Å; L481-L497 HydrophobicContact CD1-CB 4.22Å; L481-L497 HydrophobicContact CD2-CB 4.46Å; L481-L497 HydrophobicContact CD2-CD1 4.21Å; L481-I498 HydrophobicContact CB-CD1 4.24Å; L481-I498 HydrophobicContact CB-CG1 4.16Å; L481-I498 HydrophobicContact CD1-CG1 4.22Å
482H69Low72.5Confident127 Ų12777.8 Ų77.859%0.58843%0.432SS*.Hα-helixtrans-76.3-24.6174.4-65.9-66.7000113.2L478 S479 V480 K484L478-H482 PolarHBondContact O-CD2 3.24Å; L478-H482 PolarHBondContact O-N 2.89Å; S479-H482 WeakPolarHBondContact O-CB 3.37Å; S479-H482 PolarHBondContact O-N 3.22Å; S479-H482 VanDerWaalsContact O-N 3.14Å; V480-H482 PolarHBondContact O-N 3.12Å; H482-K484 PolarHBondContact O-N 2.74Å
483S66.7Low72Confident31 Ų3180.5 Ų80.522%0.21744%0.441CS..  trans-67.3123.8172.3158.50000110.9S479 V480 S485 D486 R494S479-S483 PolarHBondContact O-N 2.84Å; S479-S483 VanDerWaalsContact O-N 3.09Å; V480-S483 VanDerWaalsContact O-CB 3.31Å; V480-S483 WeakPolarHBondContact O-CB 3.33Å; V480-S483 PolarHBondContact O-N 3.04Å; S483-S485 VanDerWaalsContact C-N 3.32Å; S483-S485 PolarHBondContact OG-N 2.04Å; S483-S485 PolarHBondContact OG-OG 3.35Å; S483-D486 PolarHBondContact OG-OD2 3.39Å; S483-R494 PolarHBondContact O-NH1 3.33Å
484K60.4Low71.5Confident181 Ų18178 Ų7879%0.78743%0.428SS*.SBendtrans-74.9-22.3173-82.1-175178.5178.10112.5H482H482-K484 PolarHBondContact O-N 2.74Å
485S59.3Low71.4Confident98 Ų9877 Ų7769%0.68542%0.421SS*.SBendtrans-82.1-28.4-167.244.30000114.8S483S483-S485 VanDerWaalsContact C-N 3.32Å; S483-S485 PolarHBondContact OG-N 2.04Å; S483-S485 PolarHBondContact OG-OG 3.35Å
486D55.3Low71.5Confident102 Ų10278.5 Ų78.555%0.54542%0.416SS..SBendtrans-117.47.7-159.3-62-62000115.7S483S483-D486 PolarHBondContact OG-OD2 3.39Å
487I60.9Low71.4Confident25 Ų2578 Ų7813%0.12841%0.413CS..  trans-128.8120.7-172.9-59.3-174000112.7V480 L481 I489V480-I487 HydrophobicContact CB-CD1 4.17Å; V480-I487 HydrophobicContact CG1-CD1 3.55Å; V480-I487 HydrophobicContact CG1-CG1 3.69Å; V480-I487 WeakPolarHBondContact O-CD1 3.34Å; L481-I487 HydrophobicContact CD2-CD1 4.18Å; L481-I487 HydrophobicContact CG-CD1 4.27Å; I487-I489 VanDerWaalsContact C-N 3.26Å; I487-I489 HydrophobicContact CG2-CB 3.49Å; I487-I489 VanDerWaalsContact CG2-CB 3.49Å; I487-I489 HydrophobicContact CG2-CD1 3.43Å; I487-I489 VanDerWaalsContact CG2-CD1 3.43Å; I487-I489 HydrophobicContact CG2-CG1 3.33Å; I487-I489 PolarHBondContact O-N 2.93Å; I487-I489 VanDerWaalsContact O-N 3.15Å
488N66.8Low71.5Confident169 Ų16975 Ų7590%0.90440%0.397SS*.  trans-86.955173.5-148.912.8000111.5
489I70Confident71.9Confident39 Ų3975.8 Ų75.820%0.240%0.401CS..SBendtrans-125.9138.6179.9-63.3175.2000108W436 I487 K493 R494 L497W436-I489 HydrophobicContact CB-CD1 4.24Å; W436-I489 HydrophobicContact CG-CD1 3.86Å; I487-I489 VanDerWaalsContact C-N 3.26Å; I487-I489 HydrophobicContact CG2-CB 3.49Å; I487-I489 VanDerWaalsContact CG2-CB 3.49Å; I487-I489 HydrophobicContact CG2-CD1 3.43Å; I487-I489 VanDerWaalsContact CG2-CD1 3.43Å; I487-I489 HydrophobicContact CG2-CG1 3.33Å; I487-I489 PolarHBondContact O-N 2.93Å; I487-I489 VanDerWaalsContact O-N 3.15Å; I489-K493 HydrophobicContact CG2-CB 3.63Å; I489-K493 HydrophobicContact CG2-CD 4.07Å; I489-K493 HydrophobicContact CG2-CG 3.7Å; I489-R494 HydrophobicContact CG2-CB 4.45Å; I489-L497 HydrophobicContact CD1-CD1 4.33Å
490S78.2Confident72.1Confident65 Ų6573.1 Ų73.146%0.45538%0.383SS..  trans-58.3150.917780.60000111.1T492 K493 R494S490-T492 VanDerWaalsContact C-N 3.26Å; S490-T492 PolarHBondContact O-N 3.25Å; S490-T492 PolarHBondContact OG-OG1 3.13Å; S490-K493 PolarHBondContact O-N 2.65Å; S490-K493 WeakPolarHBondContact OG-CB 3.47Å; S490-K493 PolarHBondContact OG-N 2.71Å; S490-K493 VanDerWaalsContact OG-N 3.1Å; S490-R494 WeakPolarHBondContact O-CB 3.46Å; S490-R494 PolarHBondContact O-N 2.92Å
491Q76.6Confident72.3Confident142 Ų14273.1 Ų73.166%0.66438%0.383SS*.Hα-helixtrans-58.4-40.5178.4-71.8-168.4-1500112.1R494 E495Q491-R494 WeakPolarHBondContact O-CB 3.48Å; Q491-R494 PolarHBondContact O-N 2.87Å; Q491-E495 PolarHBondContact O-N 3.1Å
492T78.6Confident72.7Confident93 Ų9379 Ų7957%0.57141%0.409SS*.Hα-helixtrans-58-53.3174.339.60000112.3S490 R494 E495 D496S490-T492 VanDerWaalsContact C-N 3.26Å; S490-T492 PolarHBondContact O-N 3.25Å; S490-T492 PolarHBondContact OG-OG1 3.13Å; T492-R494 VanDerWaalsContact C-N 3.25Å; T492-R494 PolarHBondContact O-N 3.49Å; T492-E495 PolarHBondContact O-N 2.85Å; T492-D496 VanDerWaalsContact O-CG 3.23Å; T492-D496 PolarHBondContact O-N 3.47Å
493K79.3Confident73Confident86 Ų8677.7 Ų77.737%0.37441%0.406SS..Hα-helixtrans-63.1-32.8-179.6-176.6167.3-175.2169.60112.1D438 I489 S490 L497D438-K493 IonicContact OD1-NZ 2.67Å; I489-K493 HydrophobicContact CG2-CB 3.63Å; I489-K493 HydrophobicContact CG2-CD 4.07Å; I489-K493 HydrophobicContact CG2-CG 3.7Å; S490-K493 PolarHBondContact O-N 2.65Å; S490-K493 WeakPolarHBondContact OG-CB 3.47Å; S490-K493 PolarHBondContact OG-N 2.71Å; S490-K493 VanDerWaalsContact OG-N 3.1Å; K493-L497 HydrophobicContact CG-CD1 4Å; K493-L497 WeakPolarHBondContact O-CB 2.98Å; K493-L497 VanDerWaalsContact O-CD1 3.27Å; K493-L497 WeakPolarHBondContact O-CD1 3.01Å; K493-L497 WeakPolarHBondContact O-CG 3.2Å; K493-L497 PolarHBondContact O-N 3.03Å
494R76.4Confident73.3Confident35 Ų3577.2 Ų77.213%0.13240%0.402CS..Hα-helixtrans-65.8-46.3175.8179.5-167.7-62.7-1354.6112.1L481 S483 I489 S490 Q491 T492 L497 I498L481-R494 HydrophobicContact CB-CG 4.41Å; L481-R494 HydrophobicContact CD2-CB 4.31Å; L481-R494 HydrophobicContact CD2-CG 3.76Å; L481-R494 VanDerWaalsContact O-CD 3.23Å; L481-R494 WeakPolarHBondContact O-CD 3.31Å; L481-R494 PolarHBondContact O-NH1 3.19Å; S483-R494 PolarHBondContact O-NH1 3.33Å; I489-R494 HydrophobicContact CG2-CB 4.45Å; S490-R494 WeakPolarHBondContact O-CB 3.46Å; S490-R494 PolarHBondContact O-N 2.92Å; Q491-R494 WeakPolarHBondContact O-CB 3.48Å; Q491-R494 PolarHBondContact O-N 2.87Å; T492-R494 VanDerWaalsContact C-N 3.25Å; T492-R494 PolarHBondContact O-N 3.49Å; R494-L497 PolarHBondContact O-N 3.43Å; R494-I498 HydrophobicContact CG-CD1 4.23Å; R494-I498 VanDerWaalsContact O-CG1 3.32Å; R494-I498 WeakPolarHBondContact O-CG1 3.33Å; R494-I498 PolarHBondContact O-N 2.83Å; R494-I498 VanDerWaalsContact O-N 3.1Å
495E80.1Confident73.6Confident117 Ų11773.4 Ų73.455%0.54739%0.391SS..Hα-helixtrans-65-41.5176.8-75.2174.2177.300111.5Q491 T492 L497 I498 N499Q491-E495 PolarHBondContact O-N 3.1Å; T492-E495 PolarHBondContact O-N 2.85Å; E495-L497 PolarHBondContact O-N 3.46Å; E495-I498 PolarHBondContact O-N 2.9Å; E495-N499 WeakPolarHBondContact O-CB 3.39Å; E495-N499 PolarHBondContact O-N 3.25Å; E495-N499 PolarHBondContact O-ND2 2.83Å
496D82.9Confident73.8Confident82 Ų8273.7 Ų73.744%0.43938%0.384SS..Hα-helixtrans-59.3-47.7175.7-65.9-25.6000111.1L439 T492 I498 N499 A500L439-D496 VanDerWaalsContact CD1-C 3.42Å; L439-D496 HydrophobicContact CD1-CB 3.73Å; L439-D496 VanDerWaalsContact CD1-O 3.29Å; L439-D496 WeakPolarHBondContact CD1-O 3.45Å; L439-D496 HydrophobicContact CD2-CB 4.2Å; T492-D496 VanDerWaalsContact O-CG 3.23Å; T492-D496 PolarHBondContact O-N 3.47Å; D496-I498 PolarHBondContact O-N 3.09Å; D496-N499 PolarHBondContact O-N 2.8Å; D496-A500 WeakPolarHBondContact O-CB 3.32Å; D496-A500 PolarHBondContact O-N 3.4Å
497L77.9Confident74Confident0 Ų076 Ų760%039%0.386CS..Hα-helixtrans-59.2-45.1177.3-76.8159.3000112.1W436 I442 L481 I489 K493 R494 E495 N499 A500 V501W436-L497 HydrophobicContact CB-CD1 4.21Å; W436-L497 HydrophobicContact CB-CD2 4.44Å; W436-L497 HydrophobicContact CE3-CD2 4.43Å; W436-L497 HydrophobicContact CG-CD1 4.41Å; I442-L497 HydrophobicContact CD1-CB 4.33Å; I442-L497 HydrophobicContact CD1-CD2 3.32Å; I442-L497 HydrophobicContact CD1-CG 4.44Å; L481-L497 HydrophobicContact CD1-CB 4.22Å; L481-L497 HydrophobicContact CD2-CB 4.46Å; L481-L497 HydrophobicContact CD2-CD1 4.21Å; I489-L497 HydrophobicContact CD1-CD1 4.33Å; K493-L497 HydrophobicContact CG-CD1 4Å; K493-L497 WeakPolarHBondContact O-CB 2.98Å; K493-L497 VanDerWaalsContact O-CD1 3.27Å; K493-L497 WeakPolarHBondContact O-CD1 3.01Å; K493-L497 WeakPolarHBondContact O-CG 3.2Å; K493-L497 PolarHBondContact O-N 3.03Å; R494-L497 PolarHBondContact O-N 3.43Å; E495-L497 PolarHBondContact O-N 3.46Å; L497-N499 PolarHBondContact O-N 3.46Å; L497-A500 PolarHBondContact O-N 2.89Å; L497-V501 WeakPolarHBondContact O-CG2 3.4Å; L497-V501 PolarHBondContact O-N 3.4Å
498I79.1Confident73.8Confident20 Ų2078.6 Ų78.610%0.10341%0.406CS..Hα-helixtrans-62.6-43.9178.5-68.5165.5000110.8L478 L481 R494 E495 D496 V501 K502L478-I498 HydrophobicContact CD2-CG1 4.21Å; L481-I498 HydrophobicContact CB-CD1 4.24Å; L481-I498 HydrophobicContact CB-CG1 4.16Å; L481-I498 HydrophobicContact CD1-CG1 4.22Å; R494-I498 HydrophobicContact CG-CD1 4.23Å; R494-I498 VanDerWaalsContact O-CG1 3.32Å; R494-I498 WeakPolarHBondContact O-CG1 3.33Å; R494-I498 PolarHBondContact O-N 2.83Å; R494-I498 VanDerWaalsContact O-N 3.1Å; E495-I498 PolarHBondContact O-N 2.9Å; D496-I498 PolarHBondContact O-N 3.09Å; I498-V501 PolarHBondContact O-N 2.87Å; I498-K502 HydrophobicContact CG2-CD 4.5Å; I498-K502 WeakPolarHBondContact O-CG 3.38Å; I498-K502 PolarHBondContact O-N 2.95Å
499N79.9Confident73.2Confident83 Ų8377.5 Ų77.544%0.44440%0.396SS..Hα-helixtrans-68.1-39.5179.3-72.7-26.1000111.9E495 D496 L497 K502 L503E495-N499 WeakPolarHBondContact O-CB 3.39Å; E495-N499 PolarHBondContact O-N 3.25Å; E495-N499 PolarHBondContact O-ND2 2.83Å; D496-N499 PolarHBondContact O-N 2.8Å; L497-N499 PolarHBondContact O-N 3.46Å; N499-K502 PolarHBondContact O-N 3.11Å; N499-L503 WeakPolarHBondContact O-CG 3.49Å; N499-L503 PolarHBondContact O-N 3.04Å
500A78Confident72.3Confident13 Ų1383 Ų8311%0.10742%0.421CS..Hα-helixtrans-62-43.5175.900000111.9L439 I442 D496 L497 K502 L503 C504L439-A500 HydrophobicContact CD1-CB 3.48Å; L439-A500 VanDerWaalsContact CD1-CB 3.48Å; L439-A500 HydrophobicContact CG-CB 4.17Å; I442-A500 HydrophobicContact CG2-CB 3.69Å; D496-A500 WeakPolarHBondContact O-CB 3.32Å; D496-A500 PolarHBondContact O-N 3.4Å; L497-A500 PolarHBondContact O-N 2.89Å; A500-K502 VanDerWaalsContact C-N 3.35Å; A500-K502 PolarHBondContact O-N 3.16Å; A500-L503 WeakPolarHBondContact O-CB 3.37Å; A500-L503 PolarHBondContact O-N 3.21Å; A500-L503 VanDerWaalsContact O-N 3.13Å; A500-C504 PolarHBondContact O-N 2.95Å; A500-C504 PolarHBondContact O-SG 2.92Å
501V75.2Confident70.6Confident26 Ų2688.4 Ų88.416%0.15843%0.432CS..Hα-helixtrans-63.2-40.8176.6-178.90000111.8I442 L478 L497 I498 L503 C504 D505I442-V501 HydrophobicContact CD1-CG2 3.45Å; I442-V501 VanDerWaalsContact CD1-CG2 3.45Å; I442-V501 HydrophobicContact CG1-CG2 3.68Å; I442-V501 HydrophobicContact CG2-CG2 4.45Å; L478-V501 HydrophobicContact CD1-CB 4.3Å; L478-V501 HydrophobicContact CD1-CG1 3.63Å; L478-V501 HydrophobicContact CD2-CB 4.27Å; L478-V501 HydrophobicContact CD2-CG1 4.48Å; L478-V501 HydrophobicContact CD2-CG2 4.33Å; L478-V501 HydrophobicContact CG-CG1 4.4Å; L497-V501 WeakPolarHBondContact O-CG2 3.4Å; L497-V501 PolarHBondContact O-N 3.4Å; I498-V501 PolarHBondContact O-N 2.87Å; V501-L503 VanDerWaalsContact C-N 3.27Å; V501-L503 PolarHBondContact O-N 3.29Å; V501-C504 VanDerWaalsContact O-CB 3.32Å; V501-C504 WeakPolarHBondContact O-CB 3.37Å; V501-C504 PolarHBondContact O-N 3.2Å; V501-C504 VanDerWaalsContact O-N 3.11Å; V501-D505 PolarHBondContact O-N 2.94Å
502K76.9Confident68.8Low125 Ų12587.4 Ų87.454%0.54344%0.436SS..Hα-helixtrans-61.4-35.4174.3-71.8175.6-179.6176.80112.6I498 N499 A500 D505 L506I498-K502 HydrophobicContact CG2-CD 4.5Å; I498-K502 WeakPolarHBondContact O-CG 3.38Å; I498-K502 PolarHBondContact O-N 2.95Å; N499-K502 PolarHBondContact O-N 3.11Å; A500-K502 VanDerWaalsContact C-N 3.35Å; A500-K502 PolarHBondContact O-N 3.16Å; K502-D505 PolarHBondContact O-N 3.27Å; K502-L506 PolarHBondContact O-N 3.25Å
503L74.3Confident66.6Low99 Ų9990.4 Ų90.452%0.51845%0.445SS..Hα-helixtrans-69.6-33.4174.9-75.5162.4000112N499 A500 V501 D505 L506 Y507N499-L503 WeakPolarHBondContact O-CG 3.49Å; N499-L503 PolarHBondContact O-N 3.04Å; A500-L503 WeakPolarHBondContact O-CB 3.37Å; A500-L503 PolarHBondContact O-N 3.21Å; A500-L503 VanDerWaalsContact O-N 3.13Å; V501-L503 VanDerWaalsContact C-N 3.27Å; V501-L503 PolarHBondContact O-N 3.29Å; L503-D505 VanDerWaalsContact C-N 3.34Å; L503-D505 PolarHBondContact O-N 2.7Å; L503-L506 HydrophobicContact CD2-CD1 4.39Å; L503-L506 PolarHBondContact O-N 3.44Å; L503-Y507 PolarHBondContact O-N 3.44Å
504C73.1Confident64.7Low22 Ų2291.2 Ų91.215%0.14946%0.462CS..Hα-helixtrans-60.3-43.6173.8-51.10000111.4C443 A500 V501 L506 Y507 S508C443-C504 WeakPolarHBondContact CA-SG 3.01Å; C443-C504 HydrophobicContact CB-CB 3.8Å; C443-C504 WeakPolarHBondContact CB-SG 3.37Å; C443-C504 WeakPolarHBondContact SG-CB 3.04Å; C443-C504 CovalentContact SG-SG 2.03Å; C443-C504 PolarHBondContact SG-SG 2.86Å; A500-C504 PolarHBondContact O-N 2.95Å; A500-C504 PolarHBondContact O-SG 2.92Å; V501-C504 VanDerWaalsContact O-CB 3.32Å; V501-C504 WeakPolarHBondContact O-CB 3.37Å; V501-C504 PolarHBondContact O-N 3.2Å; V501-C504 VanDerWaalsContact O-N 3.11Å; C504-L506 VanDerWaalsContact C-N 3.34Å; C504-L506 PolarHBondContact O-N 3.28Å; C504-Y507 PolarHBondContact O-N 2.57Å; C504-S508 WeakPolarHBondContact O-CB 3.31Å; C504-S508 PolarHBondContact O-N 3.36Å
505D67.7Low62.6Low101 Ų10196.2 Ų96.254%0.5450%0.496SS..Hα-helixtrans-62.9-39.3177.2-78-18.1000111.9V501 K502 L503 S508 Q509V501-D505 PolarHBondContact O-N 2.94Å; K502-D505 PolarHBondContact O-N 3.27Å; L503-D505 VanDerWaalsContact C-N 3.34Å; L503-D505 PolarHBondContact O-N 2.7Å; D505-S508 PolarHBondContact O-N 2.61Å; D505-Q509 WeakPolarHBondContact O-CG 3.27Å; D505-Q509 PolarHBondContact O-N 2.59Å
506L63.5Low60.3Low103 Ų10395.2 Ų95.254%0.53950%0.502SS..Hα-helixtrans-65.8-42.9175.4-76.6163.5000112.1K502 L503 C504 S508 Q509 Q510K502-L506 PolarHBondContact O-N 3.25Å; L503-L506 HydrophobicContact CD2-CD1 4.39Å; L503-L506 PolarHBondContact O-N 3.44Å; C504-L506 VanDerWaalsContact C-N 3.34Å; C504-L506 PolarHBondContact O-N 3.28Å; L506-S508 VanDerWaalsContact C-N 3.35Å; L506-Q509 PolarHBondContact O-N 3.25Å; L506-Q510 PolarHBondContact O-N 3.46Å; L506-Q510 VanDerWaalsContact O-N 3.13Å
507Y58.3Low57.8Low150 Ų15099.7 Ų99.759%0.58852%0.52SS*.Hα-helixtrans-65.2-38.4177.4-111.4-91.1000112.1L503 C504 Q509 Q510 Y511L503-Y507 PolarHBondContact O-N 3.44Å; C504-Y507 PolarHBondContact O-N 2.57Å; Y507-Q509 VanDerWaalsContact C-N 3.34Å; Y507-Q509 PolarHBondContact O-N 3.36Å; Y507-Q510 PolarHBondContact O-N 2.05Å; Y507-Y511 HydrophobicContact CD1-CD2 4.05Å; Y507-Y511 AromaticContact CD1-CE2 3.75Å; Y507-Y511 HydrophobicContact CD1-CE2 3.75Å; Y507-Y511 HydrophobicContact CE1-CD2 4.48Å; Y507-Y511 AromaticContact CE1-CE2 3.73Å; Y507-Y511 HydrophobicContact CE1-CE2 3.73Å; Y507-Y511 PolarHBondContact O-N 2.92Å
508S57Low55.7Low80 Ų80110.4 Ų110.456%0.55956%0.562SS**Hα-helixtrans-59.4-44.1174.2171.70000111.7C504 D505 L506C504-S508 WeakPolarHBondContact O-CB 3.31Å; C504-S508 PolarHBondContact O-N 3.36Å; D505-S508 PolarHBondContact O-N 2.61Å; L506-S508 VanDerWaalsContact C-N 3.35Å
509Q55.2Low53.2Low146 Ų146113 Ų11368%0.68260%0.595SS**Hα-helixtrans-69.9-35.9-179.4-71.3178.76.700113.3D505 L506 Y507 Y511D505-Q509 WeakPolarHBondContact O-CG 3.27Å; D505-Q509 PolarHBondContact O-N 2.59Å; L506-Q509 PolarHBondContact O-N 3.25Å; Y507-Q509 VanDerWaalsContact C-N 3.34Å; Y507-Q509 PolarHBondContact O-N 3.36Å; Q509-Y511 PolarHBondContact O-N 3.25Å
510Q50.7Low50.9Low154 Ų154116.9 Ų116.972%0.7261%0.614SS**Hα-helixtrans-77-21-173.4-157.1167.27.100113.7L506 Y507L506-Q510 PolarHBondContact O-N 3.46Å; L506-Q510 VanDerWaalsContact O-N 3.13Å; Y507-Q510 PolarHBondContact O-N 2.05Å
511Y42.1Very low48.5Very low179 Ų179124 Ų12470%0.70265%0.651SS**THydrogen-bonded Turntrans-91.80.9177.9-84.9-85000115Y507 Q509 M513Y507-Y511 HydrophobicContact CD1-CD2 4.05Å; Y507-Y511 AromaticContact CD1-CE2 3.75Å; Y507-Y511 HydrophobicContact CD1-CE2 3.75Å; Y507-Y511 HydrophobicContact CE1-CD2 4.48Å; Y507-Y511 AromaticContact CE1-CE2 3.73Å; Y507-Y511 HydrophobicContact CE1-CE2 3.73Å; Y507-Y511 PolarHBondContact O-N 2.92Å; Q509-Y511 PolarHBondContact O-N 3.25Å; Y511-M513 PolarHBondContact O-N 3.15Å
512V38.9Very low46.2Very low122 Ų122131.9 Ų131.974%0.73969%0.686SS**  trans-80.862.3163.2-168.10000108.3S514V512-S514 PolarHBondContact O-N 2.04Å
513M32.6Very low43.9Very low156 Ų156134.7 Ų134.777%0.76870%0.701SS**  trans-76.3117.8178.2-155167.870.700108.4Y511 T515Y511-M513 PolarHBondContact O-N 3.15Å; M513-T515 PolarHBondContact O-N 2.91Å
514S38.3Very low41.6Very low103 Ų103138.1 Ų138.172%0.7272%0.719SS**  trans-59.4101.2-179.257.50000110.5V512 S516V512-S514 PolarHBondContact O-N 2.04Å; S514-S516 PolarHBondContact O-N 3.09Å
515T32Very low39.4Very low140 Ų140144.1 Ų144.186%0.85975%0.748SS**  trans-74.277.9168.741.40000109M513M513-T515 PolarHBondContact O-N 2.91Å
516S32.5Very low37.4Very low95 Ų95145.4 Ų145.466%0.66476%0.759SS**  trans-69.6130.8157.654.90000108.8S514S514-S516 PolarHBondContact O-N 3.09Å
517E31.1Very low35.7Very low176 Ų176146.3 Ų146.382%0.82277%0.769SS**SBendtrans76.563.5144.9-148.2170-147.800117.1
518Y32.6Very low34.2Very low225 Ų225147.6 Ų147.688%0.88278%0.781SS**  trans-153.2116.9138.2-130.7-94000109.6L520Y518-L520 PolarHBondContact O-N 3.41Å
519G27.3Very low32.8Very low76 Ų76153 Ų15378%0.78480%0.797SS**  trans-61.1108-178.800000111.9
520L30.7Very low31.6Very low163 Ų163152 Ų15285%0.85380%0.8SS**  trans-120116.3147.8-10395.6000107.8Y518 E522Y518-L520 PolarHBondContact O-N 3.41Å; L520-E522 PolarHBondContact O-N 2.82Å
521N28.6Very low30.6Very low164 Ų164151.8 Ų151.888%0.87780%0.804SS**  trans-26.2122.6176.3-64-23.8000115.1Q523N521-Q523 PolarHBondContact O-N 3.11Å
522E26.7Very low30Very low190 Ų190150.6 Ų150.689%0.88881%0.81SS**SBendtrans-24.4109.6158.4-67.7169.1140.700113.7L520L520-E522 PolarHBondContact O-N 2.82Å
523Q28.4Very low29.4Very low185 Ų185157.1 Ų157.186%0.86482%0.821SS**  trans176.856.5140.2-98.2178.6600108.8N521N521-Q523 PolarHBondContact O-N 3.11Å
524L25.3Very low29.3Very low171 Ų171154.3 Ų154.390%0.89582%0.817SS**  trans-107.8103.3165-123.778.4000108.8T526L524-T526 PolarHBondContact O-N 2.85Å
525I26.9Very low28.9Very low148 Ų148155.9 Ų155.976%0.75982%0.822SS**  trans-53.7128173.3-66.6159000108.2V527I525-V527 PolarHBondContact O-N 2.82Å
526T25.7Very low28.7Very low127 Ų127155.8 Ų155.878%0.77982%0.822SS**  trans-47.7113.2177.144.40000111.2L524 E528L524-T526 PolarHBondContact O-N 2.85Å; T526-E528 VanDerWaalsContact C-N 3.28Å; T526-E528 PolarHBondContact O-N 2.96Å
527V28Very low28.5Very low123 Ų123155 Ų15575%0.74583%0.828SS**  trans-87.172.4172.5-177.30000107.8I525I525-V527 PolarHBondContact O-N 2.82Å
528E27.8Very low28.3Very low177 Ų177156.3 Ų156.383%0.82783%0.832SS**  trans-140.865.8167.4-79.5-174.4159.200107.9T526T526-E528 VanDerWaalsContact C-N 3.28Å; T526-E528 PolarHBondContact O-N 2.96Å
529E27.9Very low28.3Very low194 Ų194154 Ų15491%0.90783%0.829SS**  trans-171.267.1164.5-108.5172.3-16000108.3
530V29.3Very low28.4Very low123 Ų123157.9 Ų157.975%0.74583%0.832SS**  trans-124.281.5168.2-177.40000107.2
531D29.5Very low28.2Very low151 Ų151154.4 Ų154.481%0.80783%0.827SS**  trans-168.1152.7150.9-99.3-21.2000108.7
532D30.2Very low28.3Very low154 Ų154152.7 Ų152.782%0.82483%0.825SS**  trans76.558.9-176.8-71.1-8.4000117.9
533R25.6Very low28.4Very low258 Ų258151.9 Ų151.997%0.97482%0.821SS**  trans-115.772.6151.5-95.4-173.8174.7156.61.5111.8
534S30.1Very low28.4Very low97 Ų97148.8 Ų148.868%0.67882%0.817SS**  trans-14454.4167.667.40000113.3
535T30.8Very low28.5Very low136 Ų136149 Ų14983%0.83481%0.813SS**  trans-171.380.9161.636.90000112.3
536T28.5Very low28.7Very low138 Ų138150.1 Ų150.185%0.84782%0.82SS**  trans-151.166150.252.30000109.9F538T536-F538 PolarHBondContact O-N 2.81Å
537G27.8Very low28.9Very low78 Ų78151.5 Ų151.580%0.80482%0.822SS**  trans-8187.3157.600000108.1Q539G537-Q539 PolarHBondContact O-N 2.85Å
538F27.6Very low28.8Very low205 Ų205154.6 Ų154.690%0.89983%0.828SS**  trans-70.9128.9177.7-138.9-93.3000109.4T536T536-F538 PolarHBondContact O-N 2.81Å
539Q31.2Very low29Very low175 Ų175151.2 Ų151.282%0.81882%0.824SS**  trans-68.9145.8-171-68.6167.6-15.400112.8G537G537-Q539 PolarHBondContact O-N 2.85Å
540N30.2Very low29.2Very low158 Ų158149.7 Ų149.785%0.84582%0.821SS**  trans-27.4119.4167.5-55.5-34.5000115.8
541A26.4Very low29.1Very low91 Ų91146.4 Ų146.475%0.75281%0.811SS**PPolyproline II helixtrans-78.9129.7158.200000109.4
542P30.2Very low29Very low127 Ų127146 Ų14683%0.82581%0.814SS**PPolyproline II helixtrans-68.3134.3-175.9-17.429.9000113.3
543Q29Very low29.2Very low174 Ų174145.9 Ų145.981%0.81381%0.814SS**PPolyproline II helixtrans-77.5131.8168-73.1-162.9-22.200110.9
544P28.6Very low29.3Very low119 Ų119142.4 Ų142.477%0.77381%0.809SS**PPolyproline II helixtrans-83.3118.8168.90.817.1000110.2L546P544-L546 PolarHBondContact O-N 2.67Å
545H28.3Very low29.4Very low177 Ų177142.6 Ų142.682%0.81981%0.81SS**PPolyproline II helixtrans-65123.4164-72.1-96.9000109.4
546L29.4Very low29.8Very low171 Ų171144.7 Ų144.790%0.89581%0.81SS**  trans-112.6115.8169.9-141.182.7000108.2P544P544-L546 PolarHBondContact O-N 2.67Å
547N30Very low30.1Very low156 Ų156144.3 Ų144.383%0.83481%0.814SS**  trans-63.8141.8-177.1-80.8-2.9000113
548E26.9Very low30.5Very low187 Ų187143.6 Ų143.687%0.87480%0.8SS**  trans-69134.1158.9-68.5174.3140.900110.6
549S30.9Very low31.5Very low106 Ų106141.9 Ų141.974%0.74180%0.8SS**  trans164.4153.5134.549.10000111.9
550I32.1Very low32.4Very low163 Ų163141.6 Ų141.684%0.83680%0.797SS**  trans84.1107.5171-45.4167000112.6
551G27.5Very low34Very low53 Ų53137.1 Ų137.155%0.54678%0.776SS.*  cis100108.22900000109.7
552T28.8Very low36.4Very low142 Ų142136.6 Ų136.687%0.87176%0.763SS**  trans63.5122.3170.556.40000115.1
553D34.2Very low38.6Very low152 Ų152140.8 Ų140.881%0.81376%0.763SS**  -170149.362.3-143.9-16.2000110.6
554Q28.1Very low40.9Very low186 Ų186142.1 Ų142.187%0.86976%0.761SS**  trans-96.1108.4177.5-72.2-179-9.200109.1
555S31.4Very low43.1Very low100 Ų100139.9 Ų139.970%0.69974%0.742SS**  trans-173.3135.8153.435.80000112.1
556Q39.6Very low45.5Very low180 Ų180137.4 Ų137.484%0.84173%0.726SS**  trans76.784.2169-51.3-172.85.800116.4A558Q556-A558 PolarHBondContact O-N 3.19Å
557S34.4Very low48Very low131 Ų131134.6 Ų134.692%0.91671%0.712SS**  trans-67.967.6164.457.50000111.7
558A36.7Very low50.6Low63 Ų63132.3 Ų132.352%0.52170%0.699SS.*  trans-131.584.6157.500000105.1Q556 F560Q556-A558 PolarHBondContact O-N 3.19Å; A558-F560 VanDerWaalsContact C-N 3.3Å; A558-F560 WeakPolarHBondContact O-CD2 3.46Å; A558-F560 PolarHBondContact O-N 2.87Å
559N48.6Very low53.3Low168 Ų168127 Ų12790%0.89868%0.679SS**  trans-65.995178.2-90.5-14.7000108.5
560F50Low56Low170 Ų170125.6 Ų125.675%0.74667%0.666SS**PPolyproline II helixtrans-58.1140.8164.7-80.3-86.9000108.8A558 T562A558-F560 VanDerWaalsContact C-N 3.3Å; A558-F560 WeakPolarHBondContact O-CD2 3.46Å; A558-F560 PolarHBondContact O-N 2.87Å; F560-T562 PolarHBondContact O-N 2.93Å
561P63.7Low58.8Low63 Ų63119.4 Ų119.441%0.40964%0.643SS.*PPolyproline II helixtrans-54.2137.2176.9-1014.3000110.4D565 Y566P561-D565 HydrophobicContact CB-CB 3.83Å; P561-Y566 HydrophobicContact CB-CD2 4.19Å; P561-Y566 HydrophobicContact CB-CE2 3.8Å; P561-Y566 HydrophobicContact CG-CE2 4.06Å; P561-Y566 WeakPolarHBondContact O-CE2 3.34Å
562T75.8Confident61.7Low80 Ų80125 Ų12549%0.49165%0.648SS.*PPolyproline II helixtrans-70.7162.9176.665.20000110.6F560 R564 D565 Y566F560-T562 PolarHBondContact O-N 2.93Å; T562-R564 PolarHBondContact O-N 2.82Å; T562-R564 VanDerWaalsContact O-N 3.12Å; T562-D565 WeakPolarHBondContact CB-OD2 3.46Å; T562-D565 PolarHBondContact N-OD2 3.48Å; T562-D565 WeakPolarHBondContact O-CA 3.31Å; T562-D565 WeakPolarHBondContact O-CB 3.35Å; T562-D565 PolarHBondContact O-N 2.03Å; T562-D565 PolarHBondContact OG1-N 2.84Å; T562-D565 PolarHBondContact OG1-OD2 3.17Å; T562-Y566 WeakPolarHBondContact O-CD2 3.14Å; T562-Y566 PolarHBondContact O-N 3.16Å; T562-Y566 VanDerWaalsContact O-N 3.09Å
563R77.3Confident64.7Low216 Ų216123.4 Ų123.482%0.81563%0.632SS**Hα-helixtrans-54.7-31.5174.5-171.5177.6179.8-1750.8112.7L567R563-L567 WeakPolarHBondContact O-CG 3.33Å; R563-L567 PolarHBondContact O-N 3.45Å; R563-L567 VanDerWaalsContact O-N 3.12Å
564R75.9Confident67.5Low202 Ų202124.2 Ų124.276%0.76263%0.625SS**Hα-helixtrans-69.1-37.2174.7-74.6-176.5179.41670.4112.1T562 L567 L568T562-R564 PolarHBondContact O-N 2.82Å; T562-R564 VanDerWaalsContact O-N 3.12Å; R564-L567 PolarHBondContact O-N 2.63Å; R564-L568 PolarHBondContact O-N 2.84Å
565D74.9Confident70.7Confident72 Ų72119.3 Ų119.339%0.38561%0.608SS.*Hα-helixtrans-66.1-39.8176.1-57.9-43.6000111.3P561 T562 L568 T569P561-D565 HydrophobicContact CB-CB 3.83Å; T562-D565 WeakPolarHBondContact CB-OD2 3.46Å; T562-D565 PolarHBondContact N-OD2 3.48Å; T562-D565 WeakPolarHBondContact O-CA 3.31Å; T562-D565 WeakPolarHBondContact O-CB 3.35Å; T562-D565 PolarHBondContact O-N 2.03Å; T562-D565 PolarHBondContact OG1-N 2.84Å; T562-D565 PolarHBondContact OG1-OD2 3.17Å; D565-L568 PolarHBondContact O-N 2.93Å; D565-T569 WeakPolarHBondContact O-CB 3.31Å; D565-T569 WeakPolarHBondContact O-CG2 3.48Å; D565-T569 PolarHBondContact O-N 3.43Å; D565-T569 PolarHBondContact O-OG1 2.97Å
566Y78.4Confident73.8Confident125 Ų125118.9 Ų118.949%0.4960%0.597SS.*Hα-helixtrans-63.3-40.9172.8-79.1-72.2000112.5P561 T562 T569 T570P561-Y566 HydrophobicContact CB-CD2 4.19Å; P561-Y566 HydrophobicContact CB-CE2 3.8Å; P561-Y566 HydrophobicContact CG-CE2 4.06Å; P561-Y566 WeakPolarHBondContact O-CE2 3.34Å; T562-Y566 WeakPolarHBondContact O-CD2 3.14Å; T562-Y566 PolarHBondContact O-N 3.16Å; T562-Y566 VanDerWaalsContact O-N 3.09Å; Y566-T569 WeakPolarHBondContact CA-OG1 3.49Å; Y566-T569 PolarHBondContact O-OG1 2.91Å; Y566-T569 VanDerWaalsContact O-OG1 3.13Å; Y566-T570 VanDerWaalsContact O-CB 3.32Å; Y566-T570 WeakPolarHBondContact O-CB 3.48Å; Y566-T570 VanDerWaalsContact O-CG2 3.3Å; Y566-T570 WeakPolarHBondContact O-CG2 3.45Å; Y566-T570 PolarHBondContact O-N 3.21Å; Y566-T570 PolarHBondContact O-OG1 3.05Å
567L83.7Confident76.4Confident112 Ų112114.8 Ų114.859%0.58658%0.584SS**Hα-helixtrans-65.8-41.2176.9-73.5170000112.3R563 R564 T570 G571R563-L567 WeakPolarHBondContact O-CG 3.33Å; R563-L567 PolarHBondContact O-N 3.45Å; R563-L567 VanDerWaalsContact O-N 3.12Å; R564-L567 PolarHBondContact O-N 2.63Å; L567-T570 WeakPolarHBondContact CA-OG1 3.01Å; L567-T570 PolarHBondContact O-OG1 2.95Å; L567-G571 PolarHBondContact O-N 3.3Å
568L83.4Confident79.3Confident107 Ų107113.4 Ų113.456%0.5657%0.566SS**Hα-helixtrans-65.7-47.3176.6-96.3150000111.8R564 D565 G571 W572R564-L568 PolarHBondContact O-N 2.84Å; D565-L568 PolarHBondContact O-N 2.93Å; L568-G571 PolarHBondContact O-N 3.43Å; L568-W572 VanDerWaalsContact O-CD1 3.29Å; L568-W572 PolarHBondContact O-N 2.86Å
569T84.2Confident82.1Confident75 Ų75116.4 Ų116.446%0.4657%0.569SS.*Hα-helixtrans-66.8-43.3-179.847.30000112.4D565 Y566 G571 W572 I573D565-T569 WeakPolarHBondContact O-CB 3.31Å; D565-T569 WeakPolarHBondContact O-CG2 3.48Å; D565-T569 PolarHBondContact O-N 3.43Å; D565-T569 PolarHBondContact O-OG1 2.97Å; Y566-T569 WeakPolarHBondContact CA-OG1 3.49Å; Y566-T569 PolarHBondContact O-OG1 2.91Å; Y566-T569 VanDerWaalsContact O-OG1 3.13Å; T569-G571 VanDerWaalsContact C-N 3.35Å; T569-W572 PolarHBondContact O-N 3.29Å; T569-I573 WeakPolarHBondContact O-CG1 3.09Å; T569-I573 PolarHBondContact O-N 3.18Å
570T87.2Confident84.4Confident77 Ų77112.8 Ų112.847%0.47255%0.549SS..Hα-helixtrans-65.1-38174.451.30000112.1Y566 L567 I573 Y574Y566-T570 VanDerWaalsContact O-CB 3.32Å; Y566-T570 WeakPolarHBondContact O-CB 3.48Å; Y566-T570 VanDerWaalsContact O-CG2 3.3Å; Y566-T570 WeakPolarHBondContact O-CG2 3.45Å; Y566-T570 PolarHBondContact O-N 3.21Å; Y566-T570 PolarHBondContact O-OG1 3.05Å; L567-T570 WeakPolarHBondContact CA-OG1 3.01Å; L567-T570 PolarHBondContact O-OG1 2.95Å; T570-I573 PolarHBondContact O-N 3.13Å; T570-Y574 PolarHBondContact O-N 3.16Å
571G91Very high86.5Confident34 Ų34106.4 Ų106.435%0.35153%0.53SS..Hα-helixtrans-59.7-45.2173.200000112.7L567 L568 T569 Y574 V575L567-G571 PolarHBondContact O-N 3.3Å; L568-G571 PolarHBondContact O-N 3.43Å; T569-G571 VanDerWaalsContact C-N 3.35Å; G571-Y574 PolarHBondContact O-N 2.86Å; G571-V575 WeakPolarHBondContact O-CG2 2.99Å; G571-V575 PolarHBondContact O-N 3.48Å
572W87.9Confident87.9Confident171 Ų171107.1 Ų107.165%0.64853%0.534SS*.Hα-helixtrans-63.5-41.8176.4-90.9100.7000113.1L568 T569 Y574 V575 I576L568-W572 VanDerWaalsContact O-CD1 3.29Å; L568-W572 PolarHBondContact O-N 2.86Å; T569-W572 PolarHBondContact O-N 3.29Å; W572-Y574 VanDerWaalsContact C-N 3.28Å; W572-Y574 PolarHBondContact O-N 3.48Å; W572-V575 PolarHBondContact O-N 2.03Å; W572-I576 WeakPolarHBondContact O-CG1 3.42Å; W572-I576 PolarHBondContact O-N 2.72Å
573I92.8Very high88.9Confident107 Ų107107.7 Ų107.755%0.54953%0.533SS..Hα-helixtrans-60.3-41.7175.2-67.7166.2000110.3T569 T570 I576 V577T569-I573 WeakPolarHBondContact O-CG1 3.09Å; T569-I573 PolarHBondContact O-N 3.18Å; T570-I573 PolarHBondContact O-N 3.13Å; I573-I576 PolarHBondContact O-N 2.83Å; I573-V577 WeakPolarHBondContact O-CG2 3.42Å; I573-V577 PolarHBondContact O-N 3.33Å
574Y93Very high89.7Confident169 Ų169102.6 Ų102.666%0.66352%0.521SS*.Hα-helixtrans-65.6-42179.6-152.2-90.6000112.7T570 G571 W572 I576 V577 L578T570-Y574 PolarHBondContact O-N 3.16Å; G571-Y574 PolarHBondContact O-N 2.86Å; W572-Y574 VanDerWaalsContact C-N 3.28Å; W572-Y574 PolarHBondContact O-N 3.48Å; Y574-I576 VanDerWaalsContact C-N 3.33Å; Y574-I576 PolarHBondContact O-N 2.78Å; Y574-V577 PolarHBondContact O-N 2.92Å; Y574-L578 HydrophobicContact CD1-CD1 3.77Å; Y574-L578 HydrophobicContact CD1-CG 4.26Å; Y574-L578 HydrophobicContact CE1-CD1 3.83Å; Y574-L578 HydrophobicContact CE1-CG 4.21Å; Y574-L578 PolarHBondContact O-N 2.97Å
575V95.2Very high90.6Very high83 Ų8398 Ų9850%0.50351%0.511SS..Hα-helixtrans-60.9-42.9175171.80000110.9G571 W572 L578 H579G571-V575 WeakPolarHBondContact O-CG2 2.99Å; G571-V575 PolarHBondContact O-N 3.48Å; W572-V575 PolarHBondContact O-N 2.03Å; V575-L578 PolarHBondContact O-N 3.39Å; V575-H579 WeakPolarHBondContact O-CB 3.4Å; V575-H579 PolarHBondContact O-N 2.77Å
576I95.4Very high91.4Very high92 Ų92103 Ų10347%0.47253%0.525SS..Hα-helixtrans-62.8-44.8177.6-68.9167.9000111W572 I573 Y574 H579 I580W572-I576 WeakPolarHBondContact O-CG1 3.42Å; W572-I576 PolarHBondContact O-N 2.72Å; I573-I576 PolarHBondContact O-N 2.83Å; Y574-I576 VanDerWaalsContact C-N 3.33Å; Y574-I576 PolarHBondContact O-N 2.78Å; I576-H579 PolarHBondContact O-N 3.27Å; I576-I580 HydrophobicContact CG2-CD1 3.86Å; I576-I580 HydrophobicContact CG2-CG1 4.49Å; I576-I580 WeakPolarHBondContact O-CG1 3.47Å; I576-I580 PolarHBondContact O-N 3.28Å
577V95.4Very high92.1Very high93 Ų93101.2 Ų101.256%0.56452%0.523SS*.Hα-helixtrans-62.9-43.8178.31720000111.4I573 Y574 H579 I580 G581I573-V577 WeakPolarHBondContact O-CG2 3.42Å; I573-V577 PolarHBondContact O-N 3.33Å; Y574-V577 PolarHBondContact O-N 2.92Å; V577-H579 VanDerWaalsContact C-N 3.32Å; V577-H579 PolarHBondContact O-N 2.83Å; V577-I580 PolarHBondContact O-N 3.28Å; V577-G581 PolarHBondContact O-N 2.94Å
578L95Very high92.4Very high102 Ų102101.4 Ų101.453%0.53452%0.52SS..Hα-helixtrans-60-43174.1-85.4168.9000111.6Y574 V575 G581 T582Y574-L578 HydrophobicContact CD1-CD1 3.77Å; Y574-L578 HydrophobicContact CD1-CG 4.26Å; Y574-L578 HydrophobicContact CE1-CD1 3.83Å; Y574-L578 HydrophobicContact CE1-CG 4.21Å; Y574-L578 PolarHBondContact O-N 2.97Å; V575-L578 PolarHBondContact O-N 3.39Å; L578-G581 PolarHBondContact O-N 3.28Å; L578-T582 WeakPolarHBondContact O-CG2 3.39Å; L578-T582 PolarHBondContact O-N 2.05Å
579H95.4Very high92.7Very high126 Ų126103.2 Ų103.258%0.58352%0.521SS*.Hα-helixtrans-66.1-44.1-178.7-140.7-1.4000111.6V575 I576 V577 G581 T582 I583V575-H579 WeakPolarHBondContact O-CB 3.4Å; V575-H579 PolarHBondContact O-N 2.77Å; I576-H579 PolarHBondContact O-N 3.27Å; V577-H579 VanDerWaalsContact C-N 3.32Å; V577-H579 PolarHBondContact O-N 2.83Å; H579-G581 VanDerWaalsContact C-N 3.29Å; H579-G581 PolarHBondContact O-N 2.86Å; H579-T582 PolarHBondContact ND1-OG1 3.3Å; H579-T582 PolarHBondContact O-N 3.31Å; H579-T582 PolarHBondContact O-OG1 3.44Å; H579-I583 WeakPolarHBondContact O-CG1 3.42Å; H579-I583 PolarHBondContact O-N 3.45Å
580I95.9Very high92.8Very high93 Ų93102.6 Ų102.648%0.47751%0.514SS..Hα-helixtrans-59.4-42.6172.7-67.7170.1000110.6I576 V577 T582 I583 L584I576-I580 HydrophobicContact CG2-CD1 3.86Å; I576-I580 HydrophobicContact CG2-CG1 4.49Å; I576-I580 WeakPolarHBondContact O-CG1 3.47Å; I576-I580 PolarHBondContact O-N 3.28Å; V577-I580 PolarHBondContact O-N 3.28Å; I580-T582 PolarHBondContact O-N 3.47Å; I580-I583 PolarHBondContact O-N 2.94Å; I580-L584 HydrophobicContact CG2-CD1 4.11Å; I580-L584 HydrophobicContact CG2-CG 4.45Å; I580-L584 WeakPolarHBondContact O-CG 3.36Å; I580-L584 PolarHBondContact O-N 2.94Å
581G95.3Very high92.6Very high35 Ų35104.8 Ų104.836%0.36152%0.519SS..Hα-helixtrans-57.6-46.6175.100000112.7V577 L578 H579 I583 L584 L585V577-G581 PolarHBondContact O-N 2.94Å; L578-G581 PolarHBondContact O-N 3.28Å; H579-G581 VanDerWaalsContact C-N 3.29Å; H579-G581 PolarHBondContact O-N 2.86Å; G581-I583 VanDerWaalsContact C-N 3.34Å; G581-I583 PolarHBondContact O-N 3.35Å; G581-L584 PolarHBondContact O-N 3.41Å; G581-L585 VanDerWaalsContact O-CB 3.31Å; G581-L585 WeakPolarHBondContact O-CB 3.32Å; G581-L585 PolarHBondContact O-N 3.01Å
582T93.8Very high92.2Very high79 Ų79109.5 Ų109.549%0.48553%0.526SS..Hα-helixtrans-63.5-37.9177.157.20000112.8L578 H579 I580 L585 W586L578-T582 WeakPolarHBondContact O-CG2 3.39Å; L578-T582 PolarHBondContact O-N 2.05Å; H579-T582 PolarHBondContact ND1-OG1 3.3Å; H579-T582 PolarHBondContact O-N 3.31Å; H579-T582 PolarHBondContact O-OG1 3.44Å; I580-T582 PolarHBondContact O-N 3.47Å; T582-L585 PolarHBondContact O-N 2.03Å; T582-W586 WeakPolarHBondContact O-CB 3.14Å; T582-W586 PolarHBondContact O-N 2.74Å
583I95.3Very high91.8Very high91 Ų91111.2 Ų111.247%0.46753%0.532SS..Hα-helixtrans-64.9-47.2177.1-67.9165.2000110.3H579 I580 G581 L585 W586 I587H579-I583 WeakPolarHBondContact O-CG1 3.42Å; H579-I583 PolarHBondContact O-N 3.45Å; I580-I583 PolarHBondContact O-N 2.94Å; G581-I583 VanDerWaalsContact C-N 3.34Å; G581-I583 PolarHBondContact O-N 3.35Å; I583-L585 VanDerWaalsContact C-N 3.32Å; I583-L585 PolarHBondContact O-N 2.95Å; I583-W586 PolarHBondContact O-N 3.23Å; I583-I587 HydrophobicContact CG2-CD1 3.91Å; I583-I587 VanDerWaalsContact O-CG1 3.3Å; I583-I587 WeakPolarHBondContact O-CG1 3.38Å; I583-I587 PolarHBondContact O-N 2.92Å
584L95.1Very high91.1Very high110 Ų110114.9 Ų114.958%0.57654%0.539SS*.Hα-helixtrans-62.6-39.8177.9-70174.8000112.1I580 G581 W586 I587 H588I580-L584 HydrophobicContact CG2-CD1 4.11Å; I580-L584 HydrophobicContact CG2-CG 4.45Å; I580-L584 WeakPolarHBondContact O-CG 3.36Å; I580-L584 PolarHBondContact O-N 2.94Å; G581-L584 PolarHBondContact O-N 3.41Å; L584-W586 VanDerWaalsContact C-N 3.35Å; L584-I587 PolarHBondContact O-N 2.92Å; L584-H588 PolarHBondContact O-N 2.85Å
585L93.6Very high90.2Very high106 Ų106111 Ų11156%0.55553%0.534SS*.Hα-helixtrans-66.7-38.9178-158.9146.3000111.1G581 T582 I583 H588 Y589G581-L585 VanDerWaalsContact O-CB 3.31Å; G581-L585 WeakPolarHBondContact O-CB 3.32Å; G581-L585 PolarHBondContact O-N 3.01Å; T582-L585 PolarHBondContact O-N 2.03Å; I583-L585 VanDerWaalsContact C-N 3.32Å; I583-L585 PolarHBondContact O-N 2.95Å; L585-H588 WeakPolarHBondContact O-CB 3.28Å; L585-H588 PolarHBondContact O-N 2.85Å; L585-Y589 HydrophobicContact CD2-CD2 3.74Å; L585-Y589 HydrophobicContact CD2-CE2 3.64Å; L585-Y589 WeakPolarHBondContact O-CD2 3.07Å; L585-Y589 PolarHBondContact O-N 3.25Å
586W92.2Very high88.8Confident177 Ų177113.2 Ų113.267%0.6754%0.538SS*.Hα-helixtrans-65.8-43174.1-163.971.2000112.3T582 I583 L584 H588 Y589 I590T582-W586 WeakPolarHBondContact O-CB 3.14Å; T582-W586 PolarHBondContact O-N 2.74Å; I583-W586 PolarHBondContact O-N 3.23Å; L584-W586 VanDerWaalsContact C-N 3.35Å; W586-H588 VanDerWaalsContact C-N 3.3Å; W586-H588 PolarHBondContact O-N 2.87Å; W586-Y589 PolarHBondContact O-N 3.04Å; W586-I590 HydrophobicContact CD2-CD1 3.72Å; W586-I590 HydrophobicContact CE3-CD1 3.44Å; W586-I590 VanDerWaalsContact CE3-CD1 3.44Å; W586-I590 HydrophobicContact CH2-CD1 3.57Å; W586-I590 HydrophobicContact CZ2-CD1 3.82Å; W586-I590 HydrophobicContact CZ3-CD1 3.36Å; W586-I590 WeakPolarHBondContact O-CG1 3.46Å; W586-I590 PolarHBondContact O-N 2.69Å
587I93.2Very high87Confident87 Ų87111.9 Ų111.945%0.44655%0.547SS..Hα-helixtrans-58.4-43.9173-68.9166.2000110.5I583 L584 Y589 I590 H591I583-I587 HydrophobicContact CG2-CD1 3.91Å; I583-I587 VanDerWaalsContact O-CG1 3.3Å; I583-I587 WeakPolarHBondContact O-CG1 3.38Å; I583-I587 PolarHBondContact O-N 2.92Å; L584-I587 PolarHBondContact O-N 2.92Å; I587-Y589 PolarHBondContact O-N 3.17Å; I587-I590 PolarHBondContact O-N 3.24Å; I587-H591 PolarHBondContact O-N 3.28Å
588H90.3Very high84.9Confident115 Ų115118 Ų11853%0.53256%0.56SS.*Hα-helixtrans-60.7-44.2176.8179.179.5000112.2L584 L585 W586 I590 H591 R592L584-H588 PolarHBondContact O-N 2.85Å; L585-H588 WeakPolarHBondContact O-CB 3.28Å; L585-H588 PolarHBondContact O-N 2.85Å; W586-H588 VanDerWaalsContact C-N 3.3Å; W586-H588 PolarHBondContact O-N 2.87Å; H588-I590 PolarHBondContact O-N 3.31Å; H588-H591 PolarHBondContact O-N 3.03Å; H588-R592 WeakPolarHBondContact O-CB 3.37Å; H588-R592 PolarHBondContact O-N 3.4Å
589Y88.5Confident82.7Confident146 Ų146123.4 Ų123.457%0.57359%0.59SS**Hα-helixtrans-61.9-42.7176.5-96.7-80.3000112.6L585 W586 I587 H591 R592 W593L585-Y589 HydrophobicContact CD2-CD2 3.74Å; L585-Y589 HydrophobicContact CD2-CE2 3.64Å; L585-Y589 WeakPolarHBondContact O-CD2 3.07Å; L585-Y589 PolarHBondContact O-N 3.25Å; W586-Y589 PolarHBondContact O-N 3.04Å; I587-Y589 PolarHBondContact O-N 3.17Å; Y589-H591 VanDerWaalsContact C-N 3.31Å; Y589-H591 PolarHBondContact O-N 3.07Å; Y589-R592 PolarHBondContact O-N 3.44Å; Y589-W593 WeakPolarHBondContact O-CB 3.28Å; Y589-W593 PolarHBondContact O-N 3.28Å
590I88.1Confident82Confident62 Ų62123.3 Ų123.332%0.31859%0.59SS.*Hα-helixtrans-61.8-42.5175.8-69169.3000110.8W586 I587 H588 W593 R594W586-I590 HydrophobicContact CD2-CD1 3.72Å; W586-I590 HydrophobicContact CE3-CD1 3.44Å; W586-I590 VanDerWaalsContact CE3-CD1 3.44Å; W586-I590 HydrophobicContact CH2-CD1 3.57Å; W586-I590 HydrophobicContact CZ2-CD1 3.82Å; W586-I590 HydrophobicContact CZ3-CD1 3.36Å; W586-I590 WeakPolarHBondContact O-CG1 3.46Å; W586-I590 PolarHBondContact O-N 2.69Å; I587-I590 PolarHBondContact O-N 3.24Å; H588-I590 PolarHBondContact O-N 3.31Å; I590-W593 PolarHBondContact O-N 3.5Å; I590-R594 PolarHBondContact O-N 3.28Å
591H83.1Confident81.3Confident123 Ų123124.9 Ų124.957%0.56960%0.596SS**Hα-helixtrans-65-44.4179.6-135.3-71.8000111.5I587 H588 Y589 R594 T595I587-H591 PolarHBondContact O-N 3.28Å; H588-H591 PolarHBondContact O-N 3.03Å; Y589-H591 VanDerWaalsContact C-N 3.31Å; Y589-H591 PolarHBondContact O-N 3.07Å; H591-R594 PolarHBondContact O-N 3.22Å; H591-T595 PolarHBondContact O-N 2.69Å; H591-T595 PolarHBondContact O-OG1 2.69Å
592R82.3Confident80.5Confident132 Ų132129.9 Ų129.950%0.49861%0.609SS.*Hα-helixtrans-63-42.1176.7-176.3175.6173.1163.8-0.2112.1H588 Y589 T595 Q596H588-R592 WeakPolarHBondContact O-CB 3.37Å; H588-R592 PolarHBondContact O-N 3.4Å; Y589-R592 PolarHBondContact O-N 3.44Å; R592-T595 WeakPolarHBondContact CA-OG1 3.26Å; R592-T595 PolarHBondContact O-N 3.5Å; R592-T595 PolarHBondContact O-OG1 3.16Å; R592-Q596 PolarHBondContact O-N 3.12Å
593W80Confident79.8Confident208 Ų208132.9 Ų132.979%0.78862%0.616SS**Hα-helixtrans-64.2-41.3177.7-16577.1000111.6Y589 I590 T595 Q596 G597Y589-W593 WeakPolarHBondContact O-CB 3.28Å; Y589-W593 PolarHBondContact O-N 3.28Å; I590-W593 PolarHBondContact O-N 3.5Å; W593-T595 VanDerWaalsContact C-N 3.34Å; W593-T595 PolarHBondContact O-N 2.88Å; W593-Q596 PolarHBondContact O-N 3.4Å; W593-G597 PolarHBondContact O-N 3.03Å
594R77.9Confident78.8Confident183 Ų183135.5 Ų135.569%0.69163%0.626SS**Hα-helixtrans-64-34.1173.7-84.5-175.4175172.4-0.3113.7I590 H591I590-R594 PolarHBondContact O-N 3.28Å; H591-R594 PolarHBondContact O-N 3.22Å
595T73.8Confident77.7Confident89 Ų89137.2 Ų137.255%0.54663%0.629SS.*Hα-helixtrans-77.6-34.1178.3480000113H591 R592 W593H591-T595 PolarHBondContact O-N 2.69Å; H591-T595 PolarHBondContact O-OG1 2.69Å; R592-T595 WeakPolarHBondContact CA-OG1 3.26Å; R592-T595 PolarHBondContact O-N 3.5Å; R592-T595 PolarHBondContact O-OG1 3.16Å; W593-T595 VanDerWaalsContact C-N 3.34Å; W593-T595 PolarHBondContact O-N 2.88Å
596Q64.3Low76.6Confident128 Ų128139.4 Ų139.460%0.59863%0.634SS**Hα-helixtrans-84.3-21179.6-72.8-168.1-56.900113.6R592 W593 R598R592-Q596 PolarHBondContact O-N 3.12Å; W593-Q596 PolarHBondContact O-N 3.4Å; Q596-R598 PolarHBondContact O-N 2.79Å
597G59.2Low75.4Confident64 Ų64136.5 Ų136.566%0.6663%0.632SS**THydrogen-bonded Turntrans-80.717.3174.600000114.7W593W593-G597 PolarHBondContact O-N 3.03Å
598R50.7Low73.9Confident223 Ų223140.7 Ų140.784%0.84265%0.647SS**THydrogen-bonded Turntrans-120.35.3-177.2-132-178.6-170.4179.72114.7Q596Q596-R598 PolarHBondContact O-N 2.79Å
599D48.4Very low72.4Confident215 Ų215143 Ų143100%1.1566%0.657SS**  trans-97.10157.1-63.3-26.6000107.9

Retrieved 599 of 599 residues in 267.2 ms (Link to these results)

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