A0A077ZCW5_TRITR Loading...

Protein-tyrosine sulfotransferase

Catalyzes the O-sulfation of tyrosine residues within acidic motifs of polypeptides, using 3'-phosphoadenylyl sulfate (PAPS) as cosubstrate.

AlphaFold DB , UniProt , Accession A0A077ZCW5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 357 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
1M42.4Very low69.4Low247 Ų247125.1 Ų125.1100%1.21765%0.653SS**  0105.40-76.1168.7169.400108.2C3M1-C3 PolarHBondContact O-N 3.24Å
2R51.7Low70.5Confident254 Ų254120.3 Ų120.396%0.95863%0.633SS**  trans-83.293.4179.2-72.9-179.4177.9180-0.7107.8S4R2-S4 PolarHBondContact O-N 3.09Å; R2-S4 VanDerWaalsContact O-N 3.09Å
3C51.4Low71.5Confident95 Ų95114.8 Ų114.864%0.64262%0.616SS**  trans-61.2112167.6-110.50000107.5M1M1-C3 PolarHBondContact O-N 3.24Å
4S69.9Low72.4Confident61 Ų61115.6 Ų115.643%0.42761%0.611SS.*  trans-65.2135-177.5-176.20000109.4R2 T6 Q7R2-S4 PolarHBondContact O-N 3.09Å; R2-S4 VanDerWaalsContact O-N 3.09Å; S4-T6 WeakPolarHBondContact CB-OG1 3.48Å; S4-T6 PolarHBondContact O-N 2.96Å; S4-T6 PolarHBondContact OG-OG1 2.67Å; S4-Q7 PolarHBondContact O-N 3.12Å
5V76.5Confident73.2Confident105 Ų105117.5 Ų117.564%0.63661%0.612SS**Hα-helixtrans-49.1-29.3176.6177.20000111.9Q7 I8 L9V5-Q7 PolarHBondContact O-N 3.35Å; V5-I8 PolarHBondContact O-N 3.48Å; V5-L9 HydrophobicContact CG1-CD1 4.16Å; V5-L9 PolarHBondContact O-N 2.84Å; V5-L9 VanDerWaalsContact O-N 3.12Å
6T74.3Confident74Confident90 Ų90117.2 Ų117.255%0.55261%0.611SS**Hα-helixtrans-61.6-37.2173.526.60000114.5S4 L9 V10S4-T6 WeakPolarHBondContact CB-OG1 3.48Å; S4-T6 PolarHBondContact O-N 2.96Å; S4-T6 PolarHBondContact OG-OG1 2.67Å; T6-L9 PolarHBondContact O-N 2.92Å; T6-V10 VanDerWaalsContact O-CG2 3.32Å; T6-V10 WeakPolarHBondContact O-CG2 3.33Å; T6-V10 PolarHBondContact O-N 3.22Å; T6-V10 VanDerWaalsContact O-N 3.07Å
7Q76.2Confident74.6Confident114 Ų114116.4 Ų116.453%0.53361%0.607SS.*Hα-helixtrans-68.6-36.7177.5-80.4-179.4-28.800111.8S4 V5 L11S4-Q7 PolarHBondContact O-N 3.12Å; V5-Q7 PolarHBondContact O-N 3.35Å; Q7-L11 WeakPolarHBondContact O-CB 3.43Å; Q7-L11 WeakPolarHBondContact O-CG 3.32Å; Q7-L11 PolarHBondContact O-N 3.46Å
8I78.9Confident75.1Confident100 Ų100113.9 Ų113.951%0.51359%0.594SS.*Hα-helixtrans-65.2-45.6176.4-61173.6000109.7V5 V10 L11 T12V5-I8 PolarHBondContact O-N 3.48Å; I8-V10 PolarHBondContact O-N 3.34Å; I8-L11 PolarHBondContact O-N 3.07Å; I8-T12 HydrophobicContact CG2-CG2 4.38Å; I8-T12 WeakPolarHBondContact O-CG2 3.45Å; I8-T12 PolarHBondContact O-N 3.06Å; I8-T12 PolarHBondContact O-OG1 3.5Å
9L79.5Confident75.2Confident105 Ų105116.8 Ų116.855%0.5560%0.596SS.*Hα-helixtrans-61.1-44.7178.5-75.2166000112.4V5 T6 L11 T12 A13V5-L9 HydrophobicContact CG1-CD1 4.16Å; V5-L9 PolarHBondContact O-N 2.84Å; V5-L9 VanDerWaalsContact O-N 3.12Å; T6-L9 PolarHBondContact O-N 2.92Å; L9-L11 PolarHBondContact O-N 3.45Å; L9-T12 WeakPolarHBondContact CA-OG1 3.33Å; L9-T12 PolarHBondContact O-N 3.4Å; L9-T12 PolarHBondContact O-OG1 3.46Å; L9-A13 PolarHBondContact O-N 3.24Å
10V80.5Confident75.4Confident101 Ų101119.2 Ų119.261%0.61260%0.599SS**Hα-helixtrans-64.2-42.8178.4173.70000111.4T6 I8 A13 F14T6-V10 VanDerWaalsContact O-CG2 3.32Å; T6-V10 WeakPolarHBondContact O-CG2 3.33Å; T6-V10 PolarHBondContact O-N 3.22Å; T6-V10 VanDerWaalsContact O-N 3.07Å; I8-V10 PolarHBondContact O-N 3.34Å; V10-A13 PolarHBondContact O-N 3.03Å; V10-F14 WeakPolarHBondContact O-CB 3.29Å; V10-F14 PolarHBondContact O-N 3.42Å
11L82.4Confident75.3Confident104 Ų104120.2 Ų120.255%0.54560%0.6SS.*Hα-helixtrans-63.4-43.8176.7-74.9166.6000111.4Q7 I8 L9 A13 F14 F15Q7-L11 WeakPolarHBondContact O-CB 3.43Å; Q7-L11 WeakPolarHBondContact O-CG 3.32Å; Q7-L11 PolarHBondContact O-N 3.46Å; I8-L11 PolarHBondContact O-N 3.07Å; L9-L11 PolarHBondContact O-N 3.45Å; L11-A13 PolarHBondContact O-N 3.46Å; L11-F14 PolarHBondContact O-N 3.01Å; L11-F15 VanDerWaalsContact O-CD2 3.25Å; L11-F15 WeakPolarHBondContact O-CD2 3.32Å; L11-F15 PolarHBondContact O-N 3.43Å
12T82.7Confident76.7Confident68 Ų68112.2 Ų112.242%0.41756%0.561SS.*Hα-helixtrans-62.5-41.7177.956.50000112.6I8 L9 F14 F15 L16I8-T12 HydrophobicContact CG2-CG2 4.38Å; I8-T12 WeakPolarHBondContact O-CG2 3.45Å; I8-T12 PolarHBondContact O-N 3.06Å; I8-T12 PolarHBondContact O-OG1 3.5Å; L9-T12 WeakPolarHBondContact CA-OG1 3.33Å; L9-T12 PolarHBondContact O-N 3.4Å; L9-T12 PolarHBondContact O-OG1 3.46Å; T12-F14 VanDerWaalsContact C-N 3.34Å; T12-F14 PolarHBondContact O-N 3.02Å; T12-F15 PolarHBondContact O-N 2.9Å; T12-L16 VanDerWaalsContact O-CG 3.32Å; T12-L16 WeakPolarHBondContact O-CG 3.25Å; T12-L16 PolarHBondContact O-N 2.99Å
13A82.7Confident77.5Confident49 Ų49104.1 Ų104.141%0.40554%0.536SS..Hα-helixtrans-63.7-39.2175.900000112.1L9 V10 L11 L16 L17L9-A13 PolarHBondContact O-N 3.24Å; V10-A13 PolarHBondContact O-N 3.03Å; L11-A13 PolarHBondContact O-N 3.46Å; A13-L16 PolarHBondContact O-N 3.03Å; A13-L17 WeakPolarHBondContact O-CG 3.32Å; A13-L17 PolarHBondContact O-N 3.41Å
14F85.2Confident77.9Confident126 Ų126102.4 Ų102.455%0.55353%0.525SS*.Hα-helixtrans-66.4-41.7178-161.6-103.4000112.1V10 L11 T12 L17 I18V10-F14 WeakPolarHBondContact O-CB 3.29Å; V10-F14 PolarHBondContact O-N 3.42Å; L11-F14 PolarHBondContact O-N 3.01Å; T12-F14 VanDerWaalsContact C-N 3.34Å; T12-F14 PolarHBondContact O-N 3.02Å; F14-L17 PolarHBondContact O-N 3.34Å; F14-I18 HydrophobicContact CD1-CD1 3.6Å; F14-I18 HydrophobicContact CD1-CG1 4.46Å; F14-I18 HydrophobicContact CE1-CD1 3.37Å; F14-I18 HydrophobicContact CE1-CG1 4.35Å; F14-I18 HydrophobicContact CZ-CD1 4.16Å; F14-I18 WeakPolarHBondContact O-CG1 3.43Å; F14-I18 PolarHBondContact O-N 2.78Å
15F84.2Confident77.1Confident143 Ų143103.2 Ų103.263%0.62753%0.531SS*.Hα-helixtrans-65.2-39.7174.8-86.1-73.5000112.6L11 T12 I18 W19L11-F15 VanDerWaalsContact O-CD2 3.25Å; L11-F15 WeakPolarHBondContact O-CD2 3.32Å; L11-F15 PolarHBondContact O-N 3.43Å; T12-F15 PolarHBondContact O-N 2.9Å; F15-I18 PolarHBondContact O-N 3.04Å; F15-W19 VanDerWaalsContact O-CB 3.29Å; F15-W19 WeakPolarHBondContact O-CB 3.5Å; F15-W19 PolarHBondContact O-N 3.39Å
16L86.3Confident75.4Confident113 Ų113108 Ų10859%0.59254%0.537SS*.Hα-helixtrans-64.3-39.2176.1-72.3170.9000112.2T12 A13 W19 Y20T12-L16 VanDerWaalsContact O-CG 3.32Å; T12-L16 WeakPolarHBondContact O-CG 3.25Å; T12-L16 PolarHBondContact O-N 2.99Å; A13-L16 PolarHBondContact O-N 3.03Å; L16-W19 PolarHBondContact O-N 3.47Å; L16-Y20 WeakPolarHBondContact O-CB 3.36Å; L16-Y20 PolarHBondContact O-N 3.19Å
17L83.4Confident73.6Confident104 Ų104109.3 Ų109.355%0.54555%0.545SS..Hα-helixtrans-65.2-45.6175.6-81.5163.9000112.1A13 F14 W19 Y20 F21A13-L17 WeakPolarHBondContact O-CG 3.32Å; A13-L17 PolarHBondContact O-N 3.41Å; F14-L17 PolarHBondContact O-N 3.34Å; L17-W19 VanDerWaalsContact C-N 3.33Å; L17-W19 PolarHBondContact O-N 2.93Å; L17-Y20 PolarHBondContact O-N 3.49Å; L17-F21 WeakPolarHBondContact O-CD2 3.42Å; L17-F21 PolarHBondContact O-N 3.38Å
18I82.9Confident71.6Confident72 Ų72109.1 Ų109.137%0.36956%0.555SS.*Hα-helixtrans-63.1-42.8176.6-69.8172.1000110.5F14 F15 Y20 F21 I22F14-I18 HydrophobicContact CD1-CD1 3.6Å; F14-I18 HydrophobicContact CD1-CG1 4.46Å; F14-I18 HydrophobicContact CE1-CD1 3.37Å; F14-I18 HydrophobicContact CE1-CG1 4.35Å; F14-I18 HydrophobicContact CZ-CD1 4.16Å; F14-I18 WeakPolarHBondContact O-CG1 3.43Å; F14-I18 PolarHBondContact O-N 2.78Å; F15-I18 PolarHBondContact O-N 3.04Å; I18-Y20 PolarHBondContact O-N 3.27Å; I18-F21 PolarHBondContact O-N 2.9Å; I18-I22 HydrophobicContact CG2-CD1 3.7Å; I18-I22 HydrophobicContact CG2-CG1 4.33Å; I18-I22 WeakPolarHBondContact O-CG1 3.44Å; I18-I22 PolarHBondContact O-N 2.86Å
19W77.2Confident69.3Low169 Ų169110.6 Ų110.664%0.6457%0.569SS**Hα-helixtrans-65.3-40.5179.6-159.654.2000111.8F15 L16 L17 F21 I22 I23F15-W19 VanDerWaalsContact O-CB 3.29Å; F15-W19 WeakPolarHBondContact O-CB 3.5Å; F15-W19 PolarHBondContact O-N 3.39Å; L16-W19 PolarHBondContact O-N 3.47Å; L17-W19 VanDerWaalsContact C-N 3.33Å; L17-W19 PolarHBondContact O-N 2.93Å; W19-F21 VanDerWaalsContact C-N 3.35Å; W19-F21 PolarHBondContact O-N 3.48Å; W19-I22 PolarHBondContact O-N 3.43Å; W19-I23 HydrophobicContact CD2-CD1 3.74Å; W19-I23 HydrophobicContact CE3-CD1 3.9Å; W19-I23 HydrophobicContact CG-CD1 4.26Å; W19-I23 HydrophobicContact CH2-CD1 4.25Å; W19-I23 HydrophobicContact CZ2-CD1 4.1Å; W19-I23 HydrophobicContact CZ3-CD1 4.15Å; W19-I23 VanDerWaalsContact O-CG1 3.28Å; W19-I23 WeakPolarHBondContact O-CG1 3.28Å; W19-I23 PolarHBondContact O-N 3.45Å
20Y79.8Confident67Low164 Ų164116.8 Ų116.864%0.64359%0.585SS**Hα-helixtrans-60.1-42.1171.6-177.7-98.9000112.2L16 L17 I18 I23 S24L16-Y20 WeakPolarHBondContact O-CB 3.36Å; L16-Y20 PolarHBondContact O-N 3.19Å; L17-Y20 PolarHBondContact O-N 3.49Å; I18-Y20 PolarHBondContact O-N 3.27Å; Y20-I23 PolarHBondContact O-N 3.23Å; Y20-S24 VanDerWaalsContact O-CB 3.32Å; Y20-S24 WeakPolarHBondContact O-CB 3.4Å; Y20-S24 PolarHBondContact O-N 3.18Å; Y20-S24 PolarHBondContact O-OG 2.91Å
21F74.1Confident64.7Low141 Ų141118.6 Ų118.662%0.61860%0.597SS**Hα-helixtrans-66.7-35.4175.8-97.9-82.8000113.4L17 I18 W19 S24 S25L17-F21 WeakPolarHBondContact O-CD2 3.42Å; L17-F21 PolarHBondContact O-N 3.38Å; I18-F21 PolarHBondContact O-N 2.9Å; W19-F21 VanDerWaalsContact C-N 3.35Å; W19-F21 PolarHBondContact O-N 3.48Å; F21-S24 WeakPolarHBondContact CA-OG 3.42Å; F21-S24 PolarHBondContact O-OG 3.35Å; F21-S24 VanDerWaalsContact O-OG 3.13Å; F21-S25 VanDerWaalsContact O-CB 3.3Å; F21-S25 WeakPolarHBondContact O-CB 3.45Å; F21-S25 PolarHBondContact O-N 3.17Å; F21-S25 PolarHBondContact O-OG 3.17Å
22I72.1Confident62.4Low78 Ų78125.7 Ų125.740%0.462%0.616SS.*Hα-helixtrans-71.9-38.7176.4-66.7168.2000110.8I18 W19 S25 R26I18-I22 HydrophobicContact CG2-CD1 3.7Å; I18-I22 HydrophobicContact CG2-CG1 4.33Å; I18-I22 WeakPolarHBondContact O-CG1 3.44Å; I18-I22 PolarHBondContact O-N 2.86Å; W19-I22 PolarHBondContact O-N 3.43Å; I22-S25 WeakPolarHBondContact CA-OG 3.32Å; I22-S25 PolarHBondContact O-OG 3.13Å; I22-R26 WeakPolarHBondContact O-CB 3.47Å; I22-R26 WeakPolarHBondContact O-CG 3.3Å; I22-R26 PolarHBondContact O-N 3.14Å; I22-R26 VanDerWaalsContact O-N 3.13Å
23I67.2Low60.1Low85 Ų85130 Ų13044%0.43664%0.636SS.*Hα-helixtrans-68-43175.6-66.6166.6000110.3W19 Y20 S25 R26W19-I23 HydrophobicContact CD2-CD1 3.74Å; W19-I23 HydrophobicContact CE3-CD1 3.9Å; W19-I23 HydrophobicContact CG-CD1 4.26Å; W19-I23 HydrophobicContact CH2-CD1 4.25Å; W19-I23 HydrophobicContact CZ2-CD1 4.1Å; W19-I23 HydrophobicContact CZ3-CD1 4.15Å; W19-I23 VanDerWaalsContact O-CG1 3.28Å; W19-I23 WeakPolarHBondContact O-CG1 3.28Å; W19-I23 PolarHBondContact O-N 3.45Å; Y20-I23 PolarHBondContact O-N 3.23Å; I23-S25 VanDerWaalsContact C-N 3.32Å; I23-S25 PolarHBondContact O-N 3.28Å; I23-R26 PolarHBondContact O-N 3.37Å
24S60.5Low57.8Low59 Ų59136.3 Ų136.341%0.41366%0.657SS.*Hα-helixtrans-68.5-29.7179.473.20000113.1Y20 F21Y20-S24 VanDerWaalsContact O-CB 3.32Å; Y20-S24 WeakPolarHBondContact O-CB 3.4Å; Y20-S24 PolarHBondContact O-N 3.18Å; Y20-S24 PolarHBondContact O-OG 2.91Å; F21-S24 WeakPolarHBondContact CA-OG 3.42Å; F21-S24 PolarHBondContact O-OG 3.35Å; F21-S24 VanDerWaalsContact O-OG 3.13Å
25S51.6Low55.8Low78 Ų78137 Ų13755%0.54567%0.665SS.*Hα-helixtrans-82.5-21.1176.355.10000114.2F21 I22 I23F21-S25 VanDerWaalsContact O-CB 3.3Å; F21-S25 WeakPolarHBondContact O-CB 3.45Å; F21-S25 PolarHBondContact O-N 3.17Å; F21-S25 PolarHBondContact O-OG 3.17Å; I22-S25 WeakPolarHBondContact CA-OG 3.32Å; I22-S25 PolarHBondContact O-OG 3.13Å; I23-S25 VanDerWaalsContact C-N 3.32Å; I23-S25 PolarHBondContact O-N 3.28Å
26R41.6Very low53.4Low204 Ų204132.6 Ų132.677%0.7766%0.661SS**Hα-helixtrans-90.7-7.5-179.3-75.4-170.4176.1-150.20115.3I22 I23 C28I22-R26 WeakPolarHBondContact O-CB 3.47Å; I22-R26 WeakPolarHBondContact O-CG 3.3Å; I22-R26 PolarHBondContact O-N 3.14Å; I22-R26 VanDerWaalsContact O-N 3.13Å; I23-R26 PolarHBondContact O-N 3.37Å; R26-C28 PolarHBondContact O-N 3.29Å
27T37.4Very low51.1Low118 Ų118133.8 Ų133.872%0.72467%0.667SS**  trans-89.656.5169.357.40000111.4
28C32.9Very low48.7Very low110 Ų110134.6 Ų134.674%0.74368%0.678SS**  trans-123.345172.6-161.10000111.5R26R26-C28 PolarHBondContact O-N 3.29Å
29T30.4Very low46.3Very low131 Ų131137.9 Ų137.980%0.80470%0.696SS**  trans-151.687.2162.249.40000109.8
30R32.5Very low44.2Very low235 Ų235140.7 Ų140.789%0.88771%0.706SS**  trans-161.4112.4148.1-133171.5176.3178.2-2.7111.1R32R30-R32 PolarHBondContact O-N 2.97Å; R30-R32 VanDerWaalsContact O-N 3.17Å
31T32.4Very low42.1Very low140 Ų140140.8 Ų140.886%0.85972%0.718SS**  trans-13.6102.815311.50000113.7L33T31-L33 PolarHBondContact O-N 2.73Å
32R34.2Very low40.5Very low252 Ų252139.5 Ų139.595%0.95172%0.718SS**  trans-82.394.5165.4-95.5-174.6178.6-176.30.4108.6R30R30-R32 PolarHBondContact O-N 2.97Å; R30-R32 VanDerWaalsContact O-N 3.17Å
33L33Very low38.9Very low158 Ų158142.4 Ų142.483%0.82774%0.739SS**  trans-113.484.8158.6-157.4118.4000106.4T31T31-L33 PolarHBondContact O-N 2.73Å
34H36.2Very low38Very low182 Ų182141.5 Ų141.584%0.84374%0.74SS**  trans-140.195164.7-84.5-60.2000108.6
35L42.6Very low37.6Very low140 Ų140139.5 Ų139.573%0.73373%0.729SS**  trans-57.1131.7152.7-119.678.6000107.8
36G33.1Very low38.1Very low52 Ų52142 Ų14254%0.53673%0.727SS.*SBendtrans106.7124.3168.700000115.1
37L39.2Very low39.5Very low137 Ų137132.6 Ų132.672%0.71769%0.693SS**  trans-65.2142.7168.5-76.5161.1000110.4
38P32.6Very low41.1Very low121 Ų121131.1 Ų131.179%0.78668%0.684SS**  trans-65.5140.7178.817.3-21.4000112.9R40P38-R40 PolarHBondContact O-N 3.01Å; P38-R40 VanDerWaalsContact O-N 3.17Å
39L32.6Very low43Very low141 Ų141128.7 Ų128.774%0.73866%0.659SS**  trans-65.3104.4-175.1-60.5167.4000111.8
40R32.9Very low44.9Very low228 Ų228129.2 Ų129.286%0.8666%0.657SS**  trans-107.7143.8157.7-117179.7175.5-172.1-2.3109.5P38 D42P38-R40 PolarHBondContact O-N 3.01Å; P38-R40 VanDerWaalsContact O-N 3.17Å; R40-D42 VanDerWaalsContact C-N 3.33Å; R40-D42 PolarHBondContact O-N 3.43Å
41N35.8Very low46.8Very low166 Ų166125 Ų12589%0.88865%0.652SS**SBendtrans-74.875.3-174.7-85-6.7000112.1
42D39.5Very low49Very low114 Ų114120.4 Ų120.461%0.6162%0.62SS**  trans-122.1121.4157-160.1-24.8000107.9R40 S44R40-D42 VanDerWaalsContact C-N 3.33Å; R40-D42 PolarHBondContact O-N 3.43Å; D42-S44 PolarHBondContact OD1-OG 3.13Å
43T38.5Very low51.4Low140 Ų140110.9 Ų110.986%0.85960%0.595SS**  trans-92.27-168.845.90000113.5
44S48.6Very low54.2Low65 Ų65103.6 Ų103.646%0.45556%0.557SS.*SBendtrans-81.1119.1175.956.60000111.8D42D42-S44 PolarHBondContact OD1-OG 3.13Å
45G52.1Low57Low17 Ų1796.8 Ų96.818%0.17553%0.527CS..SBendtrans80.318.9162.100000118.8G47 N55G45-G47 PolarHBondContact O-N 2.96Å; G45-N55 WeakPolarHBondContact O-CA 3.31Å
46R61.3Low59.6Low131 Ų13191.4 Ų91.449%0.49450%0.498SS..  trans-78112.7-179.3-167.9-178.2-75.1-178.3-1112.6Y54R46-Y54 WeakPolarHBondContact CA-O 3.23Å
47G72Confident62.6Low6 Ų693.9 Ų93.96%0.06250%0.496CS..EExtended strand (participates in β ladder)trans-105.3151.4167.100000112.1G45 A53 Y54G45-G47 PolarHBondContact O-N 2.96Å; G47-A53 WeakPolarHBondContact O-CA 3.4Å; G47-Y54 VanDerWaalsContact C-CE1 3.5Å; G47-Y54 PolarHBondContact N-O 3.28Å; G47-Y54 WeakPolarHBondContact O-CD1 3.39Å; G47-Y54 PolarHBondContact O-N 3.1Å
48V71.9Confident65.3Low88 Ų8888.3 Ų88.353%0.53347%0.467SS..EExtended strand (participates in β ladder)trans-127.1127.5173.4-178.30000109.4F52V48-F52 WeakPolarHBondContact CA-O 3.43Å
49R72.2Confident68.4Low59 Ų5984.6 Ų84.622%0.22344%0.443CS..EExtended strand (participates in β ladder)trans-135115.7173.2-179-176.2179.2-160.71109.7D51 F52 Y54 V136 G139 L141R49-D51 VanDerWaalsContact C-N 3.3Å; R49-D51 PolarHBondContact O-N 3Å; R49-F52 PolarHBondContact N-O 3.27Å; R49-F52 VanDerWaalsContact O-CB 3.23Å; R49-F52 WeakPolarHBondContact O-CB 3.39Å; R49-F52 PolarHBondContact O-N 2.93Å; R49-Y54 HydrophobicContact CB-CE1 4.09Å; R49-V136 PolarHBondContact NH1-O 3.02Å; R49-G139 PolarHBondContact NH1-O 3.08Å; R49-G139 PolarHBondContact NH2-O 2.92Å; R49-L141 HydrophobicContact CG-CD1 4.4Å
50N70.6Confident71.6Confident141 Ų14178 Ų7875%0.75441%0.408SS*.THydrogen-bonded Turntrans44.954.1-179.8-61.5-2.5000112F52N50-F52 PolarHBondContact O-N 3.35Å; N50-F52 VanDerWaalsContact O-N 3.08Å
51D72.6Confident74.7Confident148 Ų14867.1 Ų67.179%0.79137%0.367SS*.THydrogen-bonded Turntrans66.4-0.3-177.4-49.6-39.7000116.8R49 A53R49-D51 VanDerWaalsContact C-N 3.3Å; R49-D51 PolarHBondContact O-N 3Å; D51-A53 PolarHBondContact O-N 3Å
52F77.6Confident77.7Confident43 Ų4359.2 Ų59.219%0.18933%0.325CS..EExtended strand (participates in β ladder)trans-83.3105.4170-173.2-105000110V48 R49 N50 Y54 L58 L141V48-F52 WeakPolarHBondContact CA-O 3.43Å; R49-F52 PolarHBondContact N-O 3.27Å; R49-F52 VanDerWaalsContact O-CB 3.23Å; R49-F52 WeakPolarHBondContact O-CB 3.39Å; R49-F52 PolarHBondContact O-N 2.93Å; N50-F52 PolarHBondContact O-N 3.35Å; N50-F52 VanDerWaalsContact O-N 3.08Å; F52-Y54 AromaticContact CD1-CD1 3.63Å; F52-Y54 HydrophobicContact CD1-CD1 3.63Å; F52-Y54 HydrophobicContact CD1-CG 4.32Å; F52-Y54 AromaticContact CE1-CD1 3.98Å; F52-Y54 HydrophobicContact CE1-CD1 3.98Å; F52-Y54 HydrophobicContact CE1-CG 4.22Å; F52-Y54 WeakPolarHBondContact O-CD1 3.41Å; F52-L58 HydrophobicContact CZ-CD1 4.05Å; F52-L141 HydrophobicContact CB-CD1 3.74Å; F52-L141 HydrophobicContact CD1-CD1 4.19Å; F52-L141 HydrophobicContact CD1-CD2 4.08Å; F52-L141 HydrophobicContact CE1-CD2 4.43Å; F52-L141 HydrophobicContact CG-CD1 4.05Å
53A84.8Confident80.5Confident51 Ų5153.8 Ų53.842%0.42130%0.296SS..EExtended strand (participates in β ladder)trans-84.6132.4170.500000110.5G47 D51G47-A53 WeakPolarHBondContact O-CA 3.4Å; D51-A53 PolarHBondContact O-N 3Å
54Y91.6Very high83.4Confident5 Ų547.1 Ų47.12%0.0226%0.255CS..EExtended strand (participates in β ladder)trans-141.5154.7-179.255.6-87.9000111.5R46 G47 R49 F52 L132 E133 V136R46-Y54 WeakPolarHBondContact CA-O 3.23Å; G47-Y54 VanDerWaalsContact C-CE1 3.5Å; G47-Y54 PolarHBondContact N-O 3.28Å; G47-Y54 WeakPolarHBondContact O-CD1 3.39Å; G47-Y54 PolarHBondContact O-N 3.1Å; R49-Y54 HydrophobicContact CB-CE1 4.09Å; F52-Y54 AromaticContact CD1-CD1 3.63Å; F52-Y54 HydrophobicContact CD1-CD1 3.63Å; F52-Y54 HydrophobicContact CD1-CG 4.32Å; F52-Y54 AromaticContact CE1-CD1 3.98Å; F52-Y54 HydrophobicContact CE1-CD1 3.98Å; F52-Y54 HydrophobicContact CE1-CG 4.22Å; F52-Y54 WeakPolarHBondContact O-CD1 3.41Å; Y54-L132 HydrophobicContact CD2-CD1 4.11Å; Y54-L132 HydrophobicContact CD2-CD2 3.71Å; Y54-L132 HydrophobicContact CD2-CG 3.67Å; Y54-L132 HydrophobicContact CE2-CD2 4.21Å; Y54-L132 HydrophobicContact CE2-CG 3.93Å; Y54-E133 VanDerWaalsContact CE2-OE1 3.28Å; Y54-E133 WeakPolarHBondContact CE2-OE1 3.27Å; Y54-E133 PolarHBondContact OH-OE1 2.97Å; Y54-E133 PolarHBondContact OH-OE2 3.16Å; Y54-E133 VanDerWaalsContact OH-OE2 3.1Å; Y54-V136 HydrophobicContact CD1-CG1 4.04Å; Y54-V136 HydrophobicContact CD1-CG2 4.38Å; Y54-V136 HydrophobicContact CD2-CG2 3.76Å; Y54-V136 HydrophobicContact CE1-CB 4.39Å; Y54-V136 HydrophobicContact CE1-CG1 3.59Å; Y54-V136 HydrophobicContact CE1-CG2 4.43Å; Y54-V136 HydrophobicContact CE2-CB 4.14Å; Y54-V136 HydrophobicContact CE2-CG1 4.23Å; Y54-V136 HydrophobicContact CE2-CG2 3.81Å; Y54-V136 HydrophobicContact CG-CG2 4.05Å
55N95.3Very high85.7Confident40 Ų4044 Ų4421%0.21423%0.233CC..  trans-149.8-171.6178.9664.7000109.6G45 E57 L58 L132G45-N55 WeakPolarHBondContact O-CA 3.31Å; N55-E57 PolarHBondContact ND2-OE2 2.7Å; N55-E57 VanDerWaalsContact ND2-OE2 3.1Å; N55-E57 PolarHBondContact O-N 3.13Å; N55-E57 VanDerWaalsContact O-N 3.16Å; N55-E57 VanDerWaalsContact OD1-CB 3.27Å; N55-E57 WeakPolarHBondContact OD1-CB 3.2Å; N55-E57 PolarHBondContact OD1-N 2.6Å; N55-L58 VanDerWaalsContact O-CB 3.31Å; N55-L58 WeakPolarHBondContact O-CB 3.43Å; N55-L58 PolarHBondContact O-N 3.1Å; N55-L58 VanDerWaalsContact O-N 3.13Å; N55-L132 VanDerWaalsContact C-CD2 3.5Å
56N96.5Very high87.9Confident26 Ų2643.3 Ų43.314%0.13923%0.225CC..THydrogen-bonded Turntrans-64.4-13.8179.2-67.255.3000114.7L58 S128 L162 F163 P164N56-L58 VanDerWaalsContact C-N 3.27Å; N56-S128 WeakPolarHBondContact ND2-CB 3.35Å; N56-S128 PolarHBondContact ND2-OG 3Å; N56-L162 WeakPolarHBondContact CB-O 3.34Å; N56-L162 PolarHBondContact ND2-O 3.42Å; N56-F163 HydrophobicContact CB-CD1 4.28Å; N56-F163 WeakPolarHBondContact O-CA 3.28Å; N56-P164 WeakPolarHBondContact O-CD 3.36Å
57E96.9Very high89.6Confident104 Ų10437.6 Ų37.649%0.48621%0.205SC..THydrogen-bonded Turntrans-82-6.7176.5-54176.5141.500112.4N55 N165N55-E57 PolarHBondContact ND2-OE2 2.7Å; N55-E57 VanDerWaalsContact ND2-OE2 3.1Å; N55-E57 PolarHBondContact O-N 3.13Å; N55-E57 VanDerWaalsContact O-N 3.16Å; N55-E57 VanDerWaalsContact OD1-CB 3.27Å; N55-E57 WeakPolarHBondContact OD1-CB 3.2Å; N55-E57 PolarHBondContact OD1-N 2.6Å; E57-N165 WeakPolarHBondContact O-CB 3.25Å; E57-N165 PolarHBondContact O-ND2 3.38Å
58L96.1Very high90.8Very high21 Ų2138.3 Ų38.311%0.1121%0.206CC..SBendtrans-56.8129.9175.6-16970.8000109.4F52 N55 N56 L60 L132 L145F52-L58 HydrophobicContact CZ-CD1 4.05Å; N55-L58 VanDerWaalsContact O-CB 3.31Å; N55-L58 WeakPolarHBondContact O-CB 3.43Å; N55-L58 PolarHBondContact O-N 3.1Å; N55-L58 VanDerWaalsContact O-N 3.13Å; N56-L58 VanDerWaalsContact C-N 3.27Å; L58-L60 HydrophobicContact CD2-CD2 3.74Å; L58-L60 HydrophobicContact CD2-CG 4.5Å; L58-L60 HydrophobicContact CG-CD2 4.22Å; L58-L60 PolarHBondContact O-N 3.23Å; L58-L132 HydrophobicContact CD2-CD1 4.25Å; L58-L145 HydrophobicContact CD2-CB 4.48Å; L58-L145 HydrophobicContact CD2-CD1 3.97Å; L58-L145 HydrophobicContact CD2-CG 4.4Å
59P97.4Very high92Very high43 Ų4334.1 Ų34.128%0.27918%0.181SC..  trans-84.668.7-169.738.1-39.7000110.6R144 N165P59-R144 VanDerWaalsContact CB-NH1 3.27Å; P59-R144 WeakPolarHBondContact O-CD 3.41Å; P59-R144 PolarHBondContact O-NH1 2.95Å; P59-N165 WeakPolarHBondContact CA-O 3.38Å; P59-N165 HydrophobicContact CB-CB 4.1Å
60L98.5Very high93.2Very high1 Ų132 Ų321%0.00518%0.177CC..  trans-61.3148.1-176.2-66.7178000112.6L58 F62 L132 I135 L145 F163 S166 K167L58-L60 HydrophobicContact CD2-CD2 3.74Å; L58-L60 HydrophobicContact CD2-CG 4.5Å; L58-L60 HydrophobicContact CG-CD2 4.22Å; L58-L60 PolarHBondContact O-N 3.23Å; L60-F62 HydrophobicContact CB-CD2 4.46Å; L60-F62 HydrophobicContact CB-CE2 3.87Å; L60-F62 HydrophobicContact CB-CZ 4.31Å; L60-F62 HydrophobicContact CD1-CE2 4.1Å; L60-F62 HydrophobicContact CD1-CZ 3.84Å; L60-L132 HydrophobicContact CD1-CD1 4.34Å; L60-I135 HydrophobicContact CD1-CD1 3.93Å; L60-I135 HydrophobicContact CD2-CD1 4.47Å; L60-I135 HydrophobicContact CD2-CG2 3.97Å; L60-L145 HydrophobicContact CD2-CB 3.87Å; L60-F163 HydrophobicContact CD1-CD1 3.64Å; L60-F163 HydrophobicContact CD1-CD2 4.3Å; L60-F163 HydrophobicContact CD1-CE1 3.84Å; L60-F163 HydrophobicContact CD1-CE2 4.45Å; L60-F163 HydrophobicContact CD1-CG 3.9Å; L60-F163 HydrophobicContact CD1-CZ 4.24Å; L60-S166 CarbonylContact O-C 3.46Å; L60-S166 WeakPolarHBondContact O-CA 3.25Å; L60-S166 WeakPolarHBondContact O-CB 3.31Å; L60-K167 PolarHBondContact O-N 2.77Å
61I98.8Very high94.5Very high0 Ų025.5 Ų25.50%014%0.142CC..EExtended strand (participates in β ladder)trans-106.5126170-51.6171.7000108.9I63 I84 R144 L145 C146 D147 K167 V169 L246 I248I61-I63 HydrophobicContact CG2-CG1 4.11Å; I61-I84 HydrophobicContact CD1-CG2 4.47Å; I61-R144 HydrophobicContact CD1-CG 3.41Å; I61-R144 VanDerWaalsContact CD1-CG 3.41Å; I61-R144 HydrophobicContact CG1-CG 3.87Å; I61-L145 PolarHBondContact N-O 3.45Å; I61-C146 HydrophobicContact CB-CB 3.87Å; I61-C146 CarbonylContact O-C 3.54Å; I61-C146 WeakPolarHBondContact O-CA 3.46Å; I61-D147 PolarHBondContact O-N 2.62Å; I61-K167 CarbonylContact C-O 3.37Å; I61-K167 WeakPolarHBondContact CA-O 3.48Å; I61-V169 HydrophobicContact CG2-CG2 4.11Å; I61-L246 HydrophobicContact CD1-CD1 3.8Å; I61-L246 HydrophobicContact CD1-CD2 4.06Å; I61-L246 HydrophobicContact CD1-CG 4.41Å; I61-L246 HydrophobicContact CG1-CD2 3.99Å; I61-L246 HydrophobicContact CG2-CD2 4.04Å; I61-I248 HydrophobicContact CD1-CD1 4.03Å
62F98.8Very high95.7Very high0 Ų018.7 Ų18.70%011%0.106CC..EExtended strand (participates in β ladder)trans-109.8118.4171.4-68.7-81000110.2L60 I135 D147 V152 L159 F163 K167 F168 V169L60-F62 HydrophobicContact CB-CD2 4.46Å; L60-F62 HydrophobicContact CB-CE2 3.87Å; L60-F62 HydrophobicContact CB-CZ 4.31Å; L60-F62 HydrophobicContact CD1-CE2 4.1Å; L60-F62 HydrophobicContact CD1-CZ 3.84Å; F62-I135 HydrophobicContact CE1-CD1 3.85Å; F62-I135 HydrophobicContact CZ-CD1 4.06Å; F62-D147 WeakPolarHBondContact CA-O 3.19Å; F62-D147 HydrophobicContact CD1-CB 3.83Å; F62-D147 HydrophobicContact CE1-CB 4Å; F62-V152 HydrophobicContact CB-CG2 4.12Å; F62-V152 HydrophobicContact CD1-CG2 4.4Å; F62-L159 HydrophobicContact CD1-CD1 4.13Å; F62-L159 HydrophobicContact CE1-CD1 4.25Å; F62-L159 HydrophobicContact CE1-CD2 4.16Å; F62-L159 HydrophobicContact CG-CD1 4.29Å; F62-L159 HydrophobicContact CZ-CD2 3.99Å; F62-F163 HydrophobicContact CE2-CD2 4.15Å; F62-F163 AromaticContact CZ-CD2 3.96Å; F62-F163 HydrophobicContact CZ-CD2 3.96Å; F62-F163 HydrophobicContact CZ-CE2 4.2Å; F62-K167 PolarHBondContact N-O 3.25Å; F62-F168 HydrophobicContact CB-CD1 3.57Å; F62-F168 HydrophobicContact CB-CE1 3.85Å; F62-F168 HydrophobicContact CD2-CD1 4.11Å; F62-F168 AromaticContact CD2-CE1 3.58Å; F62-F168 HydrophobicContact CD2-CE1 3.58Å; F62-F168 HydrophobicContact CD2-CZ 4.11Å; F62-F168 HydrophobicContact CE2-CE1 4.42Å; F62-F168 HydrophobicContact CG-CD1 4.17Å; F62-F168 AromaticContact CG-CE1 3.93Å; F62-F168 HydrophobicContact CG-CE1 3.93Å; F62-F168 CarbonylContact O-C 3.31Å; F62-F168 WeakPolarHBondContact O-CA 3.27Å; F62-V169 PolarHBondContact O-N 3.5Å
63I98.8Very high96.6Very high0 Ų017.6 Ų17.60%010%0.102CC..EExtended strand (participates in β ladder)trans-104.9125.8177.1-55.4170.3000108.8I61 T71 L74 L78 C146 D147 K148 D149 V169 M171I61-I63 HydrophobicContact CG2-CG1 4.11Å; I63-T71 HydrophobicContact CG2-CG2 4.3Å; I63-L74 HydrophobicContact CD1-CD2 4.2Å; I63-L74 HydrophobicContact CD1-CG 4.29Å; I63-L74 HydrophobicContact CG1-CD2 4.36Å; I63-L74 HydrophobicContact CG2-CD2 3.81Å; I63-L78 HydrophobicContact CD1-CD1 3.47Å; I63-L78 VanDerWaalsContact CD1-CD1 3.47Å; I63-L78 HydrophobicContact CG1-CD1 4.42Å; I63-C146 WeakPolarHBondContact CD1-SG 3.34Å; I63-D147 PolarHBondContact N-O 2.85Å; I63-K148 HydrophobicContact CB-CB 4.16Å; I63-K148 HydrophobicContact CB-CG 4.06Å; I63-K148 HydrophobicContact CG2-CG 4.07Å; I63-K148 WeakPolarHBondContact O-CA 3.48Å; I63-D149 PolarHBondContact O-N 2.82Å; I63-V169 HydrophobicContact CG1-CB 4.32Å; I63-V169 HydrophobicContact CG1-CG2 4.44Å; I63-M171 HydrophobicContact CG2-CG 4.26Å
64G98.5Very high97.3Very high0 Ų015.2 Ų15.20%08%0.082CC..EExtended strand (participates in β ladder)trans-159.1-164.6170.800000113P150 L153 V169 M171G64-P150 WeakPolarHBondContact CA-O 3.45Å; G64-L153 VanDerWaalsContact CA-CD2 3.43Å; G64-V169 PolarHBondContact N-O 3.13Å; G64-M171 WeakPolarHBondContact O-CB 3.49Å; G64-M171 PolarHBondContact O-N 3.5Å
65G98.1Very high97.6Very high0 Ų015 Ų150%08%0.081CC..EExtended strand (participates in β ladder)trans145.8-173.3-167.800000110.4P150 M211G65-P150 PolarHBondContact N-O 2.8Å; G65-P150 CarbonylContact O-C 3.43Å; G65-P150 VanDerWaalsContact O-C 3.31Å; G65-P150 WeakPolarHBondContact O-CA 3.23Å; G65-P150 VanDerWaalsContact O-CB 3.22Å; G65-P150 WeakPolarHBondContact O-CB 3.41Å; G65-M211 WeakPolarHBondContact O-CE 3.36Å
66F98Very high97.7Very high2 Ų213.1 Ų13.11%0.0097%0.072CC..SBendtrans-66.6139.7175.3-170.5-94.9000110.5R68 S69 A178 M182 F192 W204 T207 V208F66-R68 PolarHBondContact O-N 2.82Å; F66-S69 WeakPolarHBondContact O-CB 3.28Å; F66-S69 PolarHBondContact O-N 3.19Å; F66-S69 PolarHBondContact O-OG 2.75Å; F66-A178 HydrophobicContact CD1-CB 4.14Å; F66-M182 HydrophobicContact CE1-SD 4.17Å; F66-M182 HydrophobicContact CZ-CE 4.47Å; F66-M182 HydrophobicContact CZ-SD 4.1Å; F66-F192 AromaticContact CE2-CE1 3.76Å; F66-F192 HydrophobicContact CE2-CE1 3.76Å; F66-F192 AromaticContact CE2-CZ 3.56Å; F66-F192 HydrophobicContact CE2-CZ 3.56Å; F66-F192 HydrophobicContact CZ-CD1 4.44Å; F66-F192 AromaticContact CZ-CE1 3.59Å; F66-F192 HydrophobicContact CZ-CE1 3.59Å; F66-F192 AromaticContact CZ-CZ 3.82Å; F66-F192 HydrophobicContact CZ-CZ 3.82Å; F66-W204 AromaticContact CD1-CD1 3.5Å; F66-W204 HydrophobicContact CD2-CB 4.39Å; F66-W204 AromaticContact CD2-CD1 3.77Å; F66-W204 HydrophobicContact CD2-CG 4.4Å; F66-W204 AromaticContact CE1-CD1 3.86Å; F66-W204 HydrophobicContact CE2-CB 3.98Å; F66-W204 HydrophobicContact CE2-CG 4.43Å; F66-W204 AromaticContact CG-CD1 3.48Å; F66-W204 VanDerWaalsContact CG-CD1 3.48Å; F66-W204 HydrophobicContact CG-CG 4.47Å; F66-W204 HydrophobicContact CZ-CB 4.07Å; F66-T207 HydrophobicContact CD2-CG2 3.94Å; F66-V208 HydrophobicContact CB-CG2 3.93Å; F66-V208 HydrophobicContact CD2-CG2 4.49Å; F66-V208 HydrophobicContact CG-CG2 4.49Å
67P96.6Very high97.8Very high11 Ų1111.9 Ų11.97%0.0717%0.065CC..THydrogen-bonded Turntrans-48.6135.3173.7-28.435.9000111.4P150 F151 V189P67-P150 HydrophobicContact CG-CB 4.32Å; P67-F151 HydrophobicContact CG-CE1 4.19Å; P67-F151 HydrophobicContact CG-CE2 3.76Å; P67-F151 HydrophobicContact CG-CZ 3.46Å; P67-F151 VanDerWaalsContact CG-CZ 3.46Å; P67-V189 HydrophobicContact CB-CG2 4.12Å; P67-V189 HydrophobicContact CG-CG1 4.47Å; P67-V189 HydrophobicContact CG-CG2 4Å
68R96.5Very high97.9Very high21 Ų217 Ų78%0.0794%0.042CC..THydrogen-bonded Turntrans76.410.4-174.7-42.3-57.3-61.9150.412.1116.1F66 G70 R173 S181 M182 S273F66-R68 PolarHBondContact O-N 2.82Å; R68-G70 VanDerWaalsContact C-N 3.26Å; R68-G70 PolarHBondContact O-N 2.97Å; R68-R173 VanDerWaalsContact O-CD 3.31Å; R68-R173 WeakPolarHBondContact O-CD 3.26Å; R68-R173 PolarHBondContact O-NH1 2.79Å; R68-S181 PolarHBondContact NE-OG 3.25Å; R68-S181 PolarHBondContact NH2-OG 3.24Å; R68-M182 HydrophobicContact CG-CB 3.91Å; R68-S273 PolarHBondContact NH1-OG 3.38Å
69S97.7Very high98Very high1 Ų16.1 Ų6.11%0.0074%0.038CC..SBendtrans-81.59.3173.170.60000115.2F66 M171 Y228F66-S69 WeakPolarHBondContact O-CB 3.28Å; F66-S69 PolarHBondContact O-N 3.19Å; F66-S69 PolarHBondContact O-OG 2.75Å; S69-M171 WeakPolarHBondContact CB-O 3.48Å; S69-M171 WeakPolarHBondContact O-CE 3.29Å; S69-M171 WeakPolarHBondContact OG-CB 3.5Å; S69-M171 PolarHBondContact OG-O 2.67Å; S69-M171 VanDerWaalsContact OG-O 3.08Å; S69-Y228 WeakPolarHBondContact O-CB 3.38Å
70G97.2Very high98Very high13 Ų134.3 Ų4.313%0.1343%0.026CC..SBendtrans949178.900000115.3R68 T72 L73 L74R68-G70 VanDerWaalsContact C-N 3.26Å; R68-G70 PolarHBondContact O-N 2.97Å; G70-T72 VanDerWaalsContact C-N 3.31Å; G70-T72 PolarHBondContact O-N 3.34Å; G70-L73 WeakPolarHBondContact O-CB 3.49Å; G70-L73 PolarHBondContact O-N 3.29Å; G70-L74 PolarHBondContact O-N 3.21Å
71T97.8Very high98Very high5 Ų54.3 Ų4.33%0.0313%0.026CC..Hα-helixtrans-54.3-40.6177.256.10000113.6I63 R75 M171I63-T71 HydrophobicContact CG2-CG2 4.3Å; T71-R75 VanDerWaalsContact O-CB 3.27Å; T71-R75 WeakPolarHBondContact O-CB 3.37Å; T71-R75 PolarHBondContact O-N 2.91Å; T71-M171 HydrophobicContact CG2-CB 3.83Å; T71-M171 HydrophobicContact CG2-CG 3.82Å
72T97.5Very high98Very high6 Ų67.6 Ų7.64%0.0375%0.047CC..Hα-helixtrans-67.3-34.3175.3-51.10000112.6G70 A76 K148 E271 S273 V277G70-T72 VanDerWaalsContact C-N 3.31Å; G70-T72 PolarHBondContact O-N 3.34Å; T72-A76 PolarHBondContact O-N 3.43Å; T72-K148 PolarHBondContact OG1-NZ 3.44Å; T72-E271 WeakPolarHBondContact CG2-OE2 3.4Å; T72-E271 PolarHBondContact OG1-OE2 3.34Å; T72-E271 VanDerWaalsContact OG1-OE2 3.04Å; T72-S273 PolarHBondContact OG1-OG 2.83Å; T72-V277 HydrophobicContact CG2-CG2 3.91Å
73L98.1Very high97.9Very high20 Ų2010.5 Ų10.511%0.1056%0.063CC..Hα-helixtrans-66.5-51.9176.5173.264.1000110.1G70 R75 A76 M77 Y228 L231 V232 V277 L281G70-L73 WeakPolarHBondContact O-CB 3.49Å; G70-L73 PolarHBondContact O-N 3.29Å; L73-R75 VanDerWaalsContact C-N 3.27Å; L73-R75 PolarHBondContact O-N 3.01Å; L73-A76 PolarHBondContact O-N 2.58Å; L73-A76 VanDerWaalsContact O-N 3.09Å; L73-M77 HydrophobicContact CD1-CG 4.36Å; L73-M77 HydrophobicContact CD1-SD 4.22Å; L73-M77 HydrophobicContact CG-SD 4.07Å; L73-M77 WeakPolarHBondContact O-CG 3.07Å; L73-M77 PolarHBondContact O-N 2.82Å; L73-Y228 HydrophobicContact CD2-CE2 3.91Å; L73-L231 HydrophobicContact CD2-CD2 4.41Å; L73-V232 HydrophobicContact CD2-CG1 3.73Å; L73-V277 HydrophobicContact CB-CG2 4.44Å; L73-L281 HydrophobicContact CD1-CD2 3.97Å; L73-L281 HydrophobicContact CD2-CD2 3.89Å; L73-L281 HydrophobicContact CG-CD2 4.36Å
74L98.6Very high97.9Very high0 Ų010.5 Ų10.50%06%0.063CC..Hα-helixtrans-57.2-44.2177.917462.9000111.2I63 G70 A76 M77 L78 V169 M171 L226 L231 M239 L242I63-L74 HydrophobicContact CD1-CD2 4.2Å; I63-L74 HydrophobicContact CD1-CG 4.29Å; I63-L74 HydrophobicContact CG1-CD2 4.36Å; I63-L74 HydrophobicContact CG2-CD2 3.81Å; G70-L74 PolarHBondContact O-N 3.21Å; L74-A76 VanDerWaalsContact C-N 3.33Å; L74-A76 PolarHBondContact O-N 2.72Å; L74-M77 WeakPolarHBondContact O-CB 3.35Å; L74-M77 PolarHBondContact O-N 3.44Å; L74-L78 HydrophobicContact CD1-CD1 3.98Å; L74-L78 HydrophobicContact CD1-CG 4.08Å; L74-L78 HydrophobicContact CD2-CD1 4.4Å; L74-L78 HydrophobicContact CG-CD1 3.94Å; L74-L78 HydrophobicContact CG-CG 4.44Å; L74-L78 WeakPolarHBondContact O-CG 3.2Å; L74-L78 PolarHBondContact O-N 3.4Å; L74-V169 HydrophobicContact CD2-CB 4.22Å; L74-V169 HydrophobicContact CD2-CG1 3.56Å; L74-M171 HydrophobicContact CB-SD 4Å; L74-M171 HydrophobicContact CD2-CG 4.12Å; L74-M171 HydrophobicContact CD2-SD 3.49Å; L74-M171 WeakPolarHBondContact CD2-SD 3.46Å; L74-M171 HydrophobicContact CG-SD 4.3Å; L74-L226 HydrophobicContact CD1-CD2 4.15Å; L74-L226 HydrophobicContact CD2-CD2 4.2Å; L74-L231 HydrophobicContact CB-CD2 4.2Å; L74-L231 HydrophobicContact CD1-CD2 4.48Å; L74-M239 HydrophobicContact CD1-CE 4.48Å; L74-M239 HydrophobicContact CD1-SD 3.93Å; L74-L242 HydrophobicContact CD1-CD2 3.47Å; L74-L242 VanDerWaalsContact CD1-CD2 3.47Å; L74-L242 HydrophobicContact CD2-CD2 4.22Å; L74-L242 HydrophobicContact CG-CD2 4.42Å
75R98.2Very high97.8Very high1 Ų111 Ų110%0.0047%0.065CC..Hα-helixtrans-55.1-47.8175.2-175-161.7125.3-170.67.4112.2T71 L73 M77 L78 D79 C86 G87 E88 K148 S266 E271T71-R75 VanDerWaalsContact O-CB 3.27Å; T71-R75 WeakPolarHBondContact O-CB 3.37Å; T71-R75 PolarHBondContact O-N 2.91Å; L73-R75 VanDerWaalsContact C-N 3.27Å; L73-R75 PolarHBondContact O-N 3.01Å; R75-M77 VanDerWaalsContact C-N 3.32Å; R75-M77 PolarHBondContact O-N 3.49Å; R75-L78 PolarHBondContact O-N 2.71Å; R75-D79 IonicContact NE-OD2 2.76Å; R75-D79 PolarHBondContact NE-OD2 3.31Å; R75-D79 IonicContact NH2-OD2 3.2Å; R75-D79 WeakPolarHBondContact O-CB 3.33Å; R75-D79 PolarHBondContact O-N 2.86Å; R75-C86 HydrophobicContact CG-CB 3.41Å; R75-C86 VanDerWaalsContact CG-CB 3.41Å; R75-G87 WeakPolarHBondContact CD-O 3.28Å; R75-G87 PolarHBondContact NE-O 2.97Å; R75-G87 PolarHBondContact NH1-O 3Å; R75-G87 VanDerWaalsContact NH2-C 3.26Å; R75-G87 PolarHBondContact NH2-O 3.26Å; R75-E88 VanDerWaalsContact CZ-CA 3.42Å; R75-E88 VanDerWaalsContact NH1-CA 3.33Å; R75-E88 VanDerWaalsContact NH2-CA 3.31Å; R75-K148 HydrophobicContact CB-CB 4.14Å; R75-K148 HydrophobicContact CB-CG 4.04Å; R75-K148 HydrophobicContact CG-CB 3.93Å; R75-K148 HydrophobicContact CG-CG 4.35Å; R75-S266 PolarHBondContact NH2-O 3.01Å; R75-E271 IonicContact NH1-OE1 2.7Å; R75-E271 PolarHBondContact NH1-OE1 3.4Å; R75-E271 IonicContact NH1-OE2 3.81Å
76A98Very high97.8Very high1 Ų111 Ų111%0.0087%0.065CC..Hα-helixtrans-64.7-38.1178.900000111.9T72 L73 L74 D79 A80 H257 I265 V277T72-A76 PolarHBondContact O-N 3.43Å; L73-A76 PolarHBondContact O-N 2.58Å; L73-A76 VanDerWaalsContact O-N 3.09Å; L74-A76 VanDerWaalsContact C-N 3.33Å; L74-A76 PolarHBondContact O-N 2.72Å; A76-D79 PolarHBondContact O-N 3.29Å; A76-A80 PolarHBondContact O-N 3.46Å; A76-A80 VanDerWaalsContact O-N 3.14Å; A76-H257 HydrophobicContact CB-CB 4.32Å; A76-H257 WeakPolarHBondContact O-CB 3.13Å; A76-I265 HydrophobicContact CB-CD1 4.5Å; A76-I265 HydrophobicContact CB-CG2 4.18Å; A76-I265 WeakPolarHBondContact O-CD1 3.33Å; A76-V277 HydrophobicContact CB-CG1 3.39Å
77M98.6Very high97.6Very high0 Ų011.4 Ų11.40%07%0.069CC..Hα-helixtrans-62.1-42.6173.7-66.1175.973.400111.8L73 L74 R75 A80 L231 P235 M239 V254 L255 H257 L281L73-M77 HydrophobicContact CD1-CG 4.36Å; L73-M77 HydrophobicContact CD1-SD 4.22Å; L73-M77 HydrophobicContact CG-SD 4.07Å; L73-M77 WeakPolarHBondContact O-CG 3.07Å; L73-M77 PolarHBondContact O-N 2.82Å; L74-M77 WeakPolarHBondContact O-CB 3.35Å; L74-M77 PolarHBondContact O-N 3.44Å; R75-M77 VanDerWaalsContact C-N 3.32Å; R75-M77 PolarHBondContact O-N 3.49Å; M77-A80 WeakPolarHBondContact O-CB 3.47Å; M77-A80 PolarHBondContact O-N 2.95Å; M77-L231 HydrophobicContact CE-CD1 3.94Å; M77-L231 HydrophobicContact SD-CD1 3.96Å; M77-L231 HydrophobicContact SD-CD2 4.27Å; M77-L231 HydrophobicContact SD-CG 4.26Å; M77-P235 HydrophobicContact CE-CB 4.32Å; M77-M239 HydrophobicContact CB-SD 4.33Å; M77-M239 HydrophobicContact CE-CG 3.52Å; M77-M239 HydrophobicContact CE-SD 3.77Å; M77-M239 HydrophobicContact SD-SD 4.46Å; M77-V254 WeakPolarHBondContact CB-O 3.36Å; M77-V254 WeakPolarHBondContact CE-O 3.22Å; M77-V254 WeakPolarHBondContact CG-O 3.48Å; M77-V254 WeakPolarHBondContact O-CA 3.46Å; M77-V254 WeakPolarHBondContact O-CB 3.47Å; M77-V254 WeakPolarHBondContact O-CG1 3.44Å; M77-L255 HydrophobicContact CE-CD2 4.42Å; M77-H257 HydrophobicContact CG-CB 4.26Å; M77-L281 HydrophobicContact CE-CD1 4.19Å; M77-L281 HydrophobicContact CE-CD2 4.49Å; M77-L281 HydrophobicContact SD-CD2 4.05Å
78L98.6Very high97.5Very high0 Ų013.6 Ų13.60%08%0.078CC..Hα-helixtrans-71.5-40.5175.9-69.3170.5000112.7I63 L74 R75 A80 H81 I84 M239 L242 L243 L246I63-L78 HydrophobicContact CD1-CD1 3.47Å; I63-L78 VanDerWaalsContact CD1-CD1 3.47Å; I63-L78 HydrophobicContact CG1-CD1 4.42Å; L74-L78 HydrophobicContact CD1-CD1 3.98Å; L74-L78 HydrophobicContact CD1-CG 4.08Å; L74-L78 HydrophobicContact CD2-CD1 4.4Å; L74-L78 HydrophobicContact CG-CD1 3.94Å; L74-L78 HydrophobicContact CG-CG 4.44Å; L74-L78 WeakPolarHBondContact O-CG 3.2Å; L74-L78 PolarHBondContact O-N 3.4Å; R75-L78 PolarHBondContact O-N 2.71Å; L78-A80 PolarHBondContact O-N 2.66Å; L78-A80 VanDerWaalsContact O-N 3.16Å; L78-H81 WeakPolarHBondContact O-CB 3.15Å; L78-H81 PolarHBondContact O-N 2.89Å; L78-I84 HydrophobicContact CB-CD1 4.35Å; L78-I84 HydrophobicContact CB-CG2 4.17Å; L78-I84 HydrophobicContact CD2-CD1 3.71Å; L78-I84 WeakPolarHBondContact O-CB 3.23Å; L78-M239 HydrophobicContact CD2-CE 3.76Å; L78-M239 HydrophobicContact CG-CE 4.34Å; L78-L242 HydrophobicContact CD1-CD2 4.43Å; L78-L242 HydrophobicContact CD2-CD2 4.32Å; L78-L243 HydrophobicContact CD2-CD2 3.96Å; L78-L246 HydrophobicContact CD2-CD1 4.32Å
79D98Very high97.4Very high4 Ų414.5 Ų14.52%0.0218%0.084CC..Hα-helixtrans-61.6-22175.6-80.8-28.2000112.3R75 A76 H81 C86 G87 K264 I265R75-D79 IonicContact NE-OD2 2.76Å; R75-D79 PolarHBondContact NE-OD2 3.31Å; R75-D79 IonicContact NH2-OD2 3.2Å; R75-D79 WeakPolarHBondContact O-CB 3.33Å; R75-D79 PolarHBondContact O-N 2.86Å; A76-D79 PolarHBondContact O-N 3.29Å; D79-H81 VanDerWaalsContact C-N 3.32Å; D79-C86 WeakPolarHBondContact OD1-CA 3.4Å; D79-C86 WeakPolarHBondContact OD1-CB 3.4Å; D79-C86 PolarHBondContact OD1-N 3.31Å; D79-G87 PolarHBondContact OD1-N 3.44Å; D79-G87 PolarHBondContact OD2-N 3.03Å; D79-K264 WeakPolarHBondContact O-CD 3.29Å; D79-K264 WeakPolarHBondContact O-CE 3.43Å; D79-I265 HydrophobicContact CB-CB 4.42Å; D79-I265 HydrophobicContact CB-CG1 3.8Å; D79-I265 HydrophobicContact CB-CG2 4.25Å
80A98Very high97.3Very high4 Ų415.8 Ų15.83%0.0339%0.092CC..THydrogen-bonded Turntrans-69.6-28172.100000112.8A76 M77 L78 A253 H257 F260 I265A76-A80 PolarHBondContact O-N 3.46Å; A76-A80 VanDerWaalsContact O-N 3.14Å; M77-A80 WeakPolarHBondContact O-CB 3.47Å; M77-A80 PolarHBondContact O-N 2.95Å; L78-A80 PolarHBondContact O-N 2.66Å; L78-A80 VanDerWaalsContact O-N 3.16Å; A80-A253 HydrophobicContact CB-CB 4.21Å; A80-A253 VanDerWaalsContact CB-O 3.23Å; A80-A253 WeakPolarHBondContact CB-O 3.17Å; A80-A253 VanDerWaalsContact O-CB 3.28Å; A80-A253 WeakPolarHBondContact O-CB 3.22Å; A80-H257 HydrophobicContact CB-CB 4.35Å; A80-F260 HydrophobicContact CB-CD2 3.87Å; A80-F260 HydrophobicContact CB-CE2 4.34Å; A80-F260 HydrophobicContact CB-CG 4.43Å; A80-I265 HydrophobicContact CB-CD1 4.04Å
81H98.3Very high97.1Very high2 Ų221.3 Ų21.31%0.00911%0.108CC..SBendtrans-64.9134.3178.4-168.1-79.7000110.5L78 D79 D83 I84 P249 N251 V254 K264L78-H81 WeakPolarHBondContact O-CB 3.15Å; L78-H81 PolarHBondContact O-N 2.89Å; D79-H81 VanDerWaalsContact C-N 3.32Å; H81-D83 VanDerWaalsContact C-N 3.26Å; H81-D83 IonicContact CE1-OD2 3.75Å; H81-D83 PolarHBondContact ND1-N 3.49Å; H81-D83 VanDerWaalsContact ND1-N 3.1Å; H81-D83 PolarHBondContact O-N 2.93Å; H81-I84 HydrophobicContact CB-CB 4.14Å; H81-I84 HydrophobicContact CB-CD1 3.82Å; H81-I84 HydrophobicContact CB-CG1 3.93Å; H81-I84 PolarHBondContact O-N 3.36Å; H81-P249 PolarHBondContact NE2-O 3.36Å; H81-N251 VanDerWaalsContact CD2-CB 3.41Å; H81-N251 WeakPolarHBondContact CD2-CB 3.38Å; H81-N251 WeakPolarHBondContact NE2-CB 3.31Å; H81-V254 HydrophobicContact CB-CG1 3.87Å; H81-K264 PolarHBondContact O-NZ 2.95Å
82P97.2Very high97.1Very high68 Ų6824.5 Ų24.544%0.44213%0.125SC..THydrogen-bonded Turntrans-58.4-34.2-176.321.6-33.6000113.9N251 K264P82-N251 WeakPolarHBondContact CD-ND2 3.2Å; P82-N251 WeakPolarHBondContact CG-ND2 3.3Å; P82-K264 PolarHBondContact O-NZ 3.43Å
83D97.4Very high97.1Very high62 Ų6224.2 Ų24.233%0.33212%0.123SC..THydrogen-bonded Turntrans-92.3-7.2-175.5-62.3-33.5000115.5H81 H143 R144H81-D83 VanDerWaalsContact C-N 3.26Å; H81-D83 IonicContact CE1-OD2 3.75Å; H81-D83 PolarHBondContact ND1-N 3.49Å; H81-D83 VanDerWaalsContact ND1-N 3.1Å; H81-D83 PolarHBondContact O-N 2.93Å; D83-H143 HydrophobicContact CB-CB 4.15Å; D83-H143 PolarHBondContact O-N 2.94Å; D83-R144 PolarHBondContact O-N 3.24Å
84I98.3Very high97Very high0 Ų024.5 Ų24.50%013%0.126CC..EExtended strand (participates in β ladder)trans-108.2142.8-175.1-51.6174.9000110.2I61 L78 H81 R144 C146 L243 I248 K264I61-I84 HydrophobicContact CD1-CG2 4.47Å; L78-I84 HydrophobicContact CB-CD1 4.35Å; L78-I84 HydrophobicContact CB-CG2 4.17Å; L78-I84 HydrophobicContact CD2-CD1 3.71Å; L78-I84 WeakPolarHBondContact O-CB 3.23Å; H81-I84 HydrophobicContact CB-CB 4.14Å; H81-I84 HydrophobicContact CB-CD1 3.82Å; H81-I84 HydrophobicContact CB-CG1 3.93Å; H81-I84 PolarHBondContact O-N 3.36Å; I84-R144 WeakPolarHBondContact CA-O 3.39Å; I84-R144 HydrophobicContact CG1-CB 4.21Å; I84-C146 HydrophobicContact CG2-CB 4.34Å; I84-L243 HydrophobicContact CD1-CD2 4.04Å; I84-I248 HydrophobicContact CD1-CD1 3.51Å; I84-I248 HydrophobicContact CD1-CG2 4.28Å; I84-I248 HydrophobicContact CG1-CD1 3.85Å; I84-K264 PolarHBondContact O-NZ 3.44Å
85R97.1Very high96.9Very high10 Ų1031.9 Ų31.94%0.03815%0.154CC..EExtended strand (participates in β ladder)trans-140.5113.3162.6-171-81.3-63.1167-4.7110.2I135 V136 H138 P140 A142 R144 L145 C146R85-I135 PolarHBondContact NH1-O 2.96Å; R85-I135 PolarHBondContact NH2-O 3.34Å; R85-V136 PolarHBondContact NH2-O 3.18Å; R85-H138 PolarHBondContact NH1-CE1 3.43Å; R85-H138 VanDerWaalsContact NH1-CE1 3.33Å; R85-H138 PolarHBondContact NH1-NE2 2.85Å; R85-P140 HydrophobicContact CG-CG 4.3Å; R85-P140 PolarHBondContact NE-O 3.14Å; R85-P140 PolarHBondContact NH2-O 3.09Å; R85-A142 HydrophobicContact CB-CB 3.64Å; R85-R144 PolarHBondContact N-O 3.18Å; R85-L145 HydrophobicContact CB-CD2 4.43Å; R85-C146 PolarHBondContact O-N 2.89Å
86C97.4Very high96.9Very high0 Ų032.9 Ų32.90%016%0.159CC..  trans-84.8-58.4163.4-60.90000110.4R75 D79 H138 C146R75-C86 HydrophobicContact CG-CB 3.41Å; R75-C86 VanDerWaalsContact CG-CB 3.41Å; D79-C86 WeakPolarHBondContact OD1-CA 3.4Å; D79-C86 WeakPolarHBondContact OD1-CB 3.4Å; D79-C86 PolarHBondContact OD1-N 3.31Å; C86-H138 PolarHBondContact O-CE1 2.96Å; C86-H138 VanDerWaalsContact O-CE1 3.3Å; C86-H138 PolarHBondContact O-NE2 3.04Å; C86-C146 VanDerWaalsContact CA-CB 3.47Å; C86-C146 VanDerWaalsContact CA-O 3.29Å; C86-C146 WeakPolarHBondContact CA-O 3.27Å; C86-C146 HydrophobicContact CB-CB 3.64Å; C86-C146 WeakPolarHBondContact CB-SG 3.36Å; C86-C146 VanDerWaalsContact O-O 3.08Å; C86-C146 WeakPolarHBondContact SG-CB 3.33Å; C86-C146 CovalentContact SG-SG 2.04Å; C86-C146 PolarHBondContact SG-SG 3.27Å
87G94Very high96.9Very high10 Ų1033 Ų3310%0.10316%0.159CC..  trans74.1-179.5-174.900000113.6R75 D79R75-G87 WeakPolarHBondContact CD-O 3.28Å; R75-G87 PolarHBondContact NE-O 2.97Å; R75-G87 PolarHBondContact NH1-O 3Å; R75-G87 VanDerWaalsContact NH2-C 3.26Å; R75-G87 PolarHBondContact NH2-O 3.26Å; D79-G87 PolarHBondContact OD1-N 3.44Å; D79-G87 PolarHBondContact OD2-N 3.03Å
88E94.2Very high96.8Very high57 Ų5734.1 Ų34.127%0.26617%0.171SC..SBendtrans-62.2148.8-168.9-71.7179.5-161.300115R75 T90 S266 L267 S268R75-E88 VanDerWaalsContact CZ-CA 3.42Å; R75-E88 VanDerWaalsContact NH1-CA 3.33Å; R75-E88 VanDerWaalsContact NH2-CA 3.31Å; E88-T90 PolarHBondContact O-N 3.35Å; E88-T90 VanDerWaalsContact O-N 3.12Å; E88-S266 VanDerWaalsContact OE1-CB 3.28Å; E88-S266 WeakPolarHBondContact OE1-CB 3.37Å; E88-S266 PolarHBondContact OE1-OG 2.6Å; E88-L267 PolarHBondContact OE1-N 3.43Å; E88-S268 PolarHBondContact OE1-N 3.03Å; E88-S268 VanDerWaalsContact OE2-CB 3.25Å; E88-S268 WeakPolarHBondContact OE2-CB 3.44Å
89E95Very high96.7Very high41 Ų4138.1 Ų38.119%0.19219%0.191CC..  trans-59.1117.8176.1-171.4174.2121.500109.6R91 K148 D149 P150 E271E89-R91 HydrophobicContact CG-CG 3.82Å; E89-R91 WeakPolarHBondContact OE1-CG 3.35Å; E89-R91 IonicContact OE1-NH1 3.38Å; E89-R91 PolarHBondContact OE1-NH1 2.94Å; E89-K148 IonicContact OE2-NZ 2.72Å; E89-K148 PolarHBondContact OE2-NZ 2.04Å; E89-D149 WeakPolarHBondContact CG-OD1 3.36Å; E89-P150 WeakPolarHBondContact OE2-CD 3.22Å; E89-E271 PolarHBondContact N-OE1 2.77Å
90T94.9Very high96.7Very high28 Ų2839 Ų3917%0.17219%0.194CC..  trans-78.2-34.1-175.173.80000111E88 I92 V134 D149E88-T90 PolarHBondContact O-N 3.35Å; E88-T90 VanDerWaalsContact O-N 3.12Å; T90-I92 PolarHBondContact O-N 2.81Å; T90-I92 PolarHBondContact OG1-N 2.84Å; T90-V134 HydrophobicContact CG2-CG1 3.91Å; T90-D149 PolarHBondContact N-OD2 3.05Å; T90-D149 PolarHBondContact OG1-OD2 2.93Å
91R94.1Very high96.6Very high128 Ų12840.3 Ų40.348%0.48320%0.203SC..SBendtrans61.13.5-172.6-49.6175.558.872.7-3.6114E89 R95 D149E89-R91 HydrophobicContact CG-CG 3.82Å; E89-R91 WeakPolarHBondContact OE1-CG 3.35Å; E89-R91 IonicContact OE1-NH1 3.38Å; E89-R91 PolarHBondContact OE1-NH1 2.94Å; R91-R95 VanDerWaalsContact O-CD 3.23Å; R91-R95 WeakPolarHBondContact O-CD 3.32Å; R91-R95 WeakPolarHBondContact O-CG 3.17Å; R91-R95 PolarHBondContact O-NE 3.25Å; R91-D149 VanDerWaalsContact CA-OD1 3.3Å; R91-D149 WeakPolarHBondContact CA-OD1 3.49Å; R91-D149 PolarHBondContact N-OD1 2.74Å; R91-D149 VanDerWaalsContact N-OD1 3.09Å; R91-D149 PolarHBondContact N-OD2 3.4Å
92I96.6Very high96.5Very high73 Ų7346.6 Ų46.637%0.37423%0.232SC..SBendtrans-91.6-46.1-179.2-61.8-57.3000109.7T90 R95 I96 F130T90-I92 PolarHBondContact O-N 2.81Å; T90-I92 PolarHBondContact OG1-N 2.84Å; I92-R95 WeakPolarHBondContact O-CB 3.43Å; I92-R95 PolarHBondContact O-N 3.26Å; I92-I96 HydrophobicContact CG2-CD1 3.92Å; I92-I96 PolarHBondContact O-N 3.07Å; I92-I96 VanDerWaalsContact O-N 3.15Å; I92-F130 HydrophobicContact CG2-CE1 3.51Å; I92-F130 HydrophobicContact CG2-CZ 3.76Å
93I97.8Very high96.4Very high0 Ų047.7 Ų47.70%023%0.227CC..Hα-helixtrans-57.9-49-175.9-67.4165.9000111.5R95 I96 L97 I131 V134 I135 D147 V152I93-R95 PolarHBondContact O-N 3.07Å; I93-I96 PolarHBondContact O-N 3.27Å; I93-L97 HydrophobicContact CG2-CD1 3.75Å; I93-L97 HydrophobicContact CG2-CG 4.35Å; I93-L97 VanDerWaalsContact O-CG 3.29Å; I93-L97 WeakPolarHBondContact O-CG 3.32Å; I93-L97 PolarHBondContact O-N 3.01Å; I93-I131 HydrophobicContact CD1-CG2 4.18Å; I93-I131 HydrophobicContact CG1-CG1 4.41Å; I93-I131 HydrophobicContact CG1-CG2 4.3Å; I93-I131 HydrophobicContact CG2-CD1 4.36Å; I93-I131 HydrophobicContact CG2-CG1 4.26Å; I93-I131 HydrophobicContact CG2-CG2 4.33Å; I93-V134 HydrophobicContact CD1-CG1 4.2Å; I93-V134 HydrophobicContact CG1-CG1 4.36Å; I93-I135 HydrophobicContact CD1-CD1 4.1Å; I93-I135 HydrophobicContact CD1-CG1 3.68Å; I93-D147 HydrophobicContact CD1-CB 4.3Å; I93-D147 WeakPolarHBondContact CD1-OD1 3.49Å; I93-V152 HydrophobicContact CG2-CG1 3.9Å
94P96.8Very high96.3Very high25 Ų2548.3 Ų48.316%0.16223%0.227CC..Hα-helixtrans-59.3-28.8174.9-27.535.7000115G98 D149 F151 V152P94-G98 PolarHBondContact O-N 2.64Å; P94-D149 HydrophobicContact CG-CB 3.52Å; P94-F151 HydrophobicContact CB-CB 4.08Å; P94-F151 HydrophobicContact CG-CB 4.46Å; P94-V152 HydrophobicContact CG-CG1 3.97Å
95R97Very high96.2Very high155 Ų15555.4 Ų55.459%0.58526%0.258SS*.Hα-helixtrans-73.4-42.6-179.7-68.6175.5-178.5-97.13.1111R91 I92 I93 G98 M99R91-R95 VanDerWaalsContact O-CD 3.23Å; R91-R95 WeakPolarHBondContact O-CD 3.32Å; R91-R95 WeakPolarHBondContact O-CG 3.17Å; R91-R95 PolarHBondContact O-NE 3.25Å; I92-R95 WeakPolarHBondContact O-CB 3.43Å; I92-R95 PolarHBondContact O-N 3.26Å; I93-R95 PolarHBondContact O-N 3.07Å; R95-G98 CarbonylContact O-C 3.58Å; R95-G98 WeakPolarHBondContact O-CA 3.48Å; R95-G98 PolarHBondContact O-N 3.16Å; R95-M99 WeakPolarHBondContact O-CG 3.29Å; R95-M99 PolarHBondContact O-N 3.08Å
96I97.7Very high96.2Very high23 Ų2358.7 Ų58.712%0.11828%0.276CS..Hα-helixtrans-68-42.6177.2-68.6170.9000110.8I92 I93 G98 M99 R100 V127 F130I92-I96 HydrophobicContact CG2-CD1 3.92Å; I92-I96 PolarHBondContact O-N 3.07Å; I92-I96 VanDerWaalsContact O-N 3.15Å; I93-I96 PolarHBondContact O-N 3.27Å; I96-G98 PolarHBondContact O-N 2.98Å; I96-M99 HydrophobicContact CB-CE 4.23Å; I96-M99 HydrophobicContact CG1-CE 3.64Å; I96-M99 PolarHBondContact O-N 2.94Å; I96-R100 WeakPolarHBondContact O-CB 3.4Å; I96-R100 PolarHBondContact O-N 3.17Å; I96-V127 HydrophobicContact CG2-CG1 3.97Å; I96-V127 HydrophobicContact CG2-CG2 4.37Å; I96-F130 HydrophobicContact CD1-CD1 3.08Å; I96-F130 HydrophobicContact CD1-CD2 4.04Å; I96-F130 HydrophobicContact CD1-CE1 2.93Å; I96-F130 HydrophobicContact CD1-CE2 3.88Å; I96-F130 HydrophobicContact CD1-CG 3.69Å; I96-F130 HydrophobicContact CD1-CZ 3.35Å; I96-F130 HydrophobicContact CG1-CE1 4.41Å
97L98.1Very high96.1Very high2 Ų263.6 Ų63.61%0.0131%0.308CS..Hα-helixtrans-58.8-39.2171.5-66.3170.1000111.5I93 S101 I131 V152 Y158 L159I93-L97 HydrophobicContact CG2-CD1 3.75Å; I93-L97 HydrophobicContact CG2-CG 4.35Å; I93-L97 VanDerWaalsContact O-CG 3.29Å; I93-L97 WeakPolarHBondContact O-CG 3.32Å; I93-L97 PolarHBondContact O-N 3.01Å; L97-S101 VanDerWaalsContact O-CB 3.26Å; L97-S101 WeakPolarHBondContact O-CB 3.42Å; L97-S101 PolarHBondContact O-N 3.49Å; L97-I131 HydrophobicContact CD2-CD1 3.94Å; L97-I131 HydrophobicContact CG-CD1 4.34Å; L97-V152 HydrophobicContact CD1-CB 4.39Å; L97-V152 HydrophobicContact CD1-CG1 4.2Å; L97-Y158 HydrophobicContact CD2-CD1 3.76Å; L97-Y158 HydrophobicContact CD2-CE1 4.16Å; L97-L159 HydrophobicContact CD1-CD1 3.94Å; L97-L159 HydrophobicContact CD1-CD2 4.16Å; L97-L159 HydrophobicContact CD1-CG 4.18Å; L97-L159 HydrophobicContact CD2-CD2 3.89Å; L97-L159 HydrophobicContact CD2-CG 4.12Å
98G96.6Very high96.3Very high25 Ų2571.6 Ų71.626%0.25834%0.34SS..Hα-helixtrans-60.7-50.5173.300000113.1P94 R95 I96 S101 Q102P94-G98 PolarHBondContact O-N 2.64Å; R95-G98 CarbonylContact O-C 3.58Å; R95-G98 WeakPolarHBondContact O-CA 3.48Å; R95-G98 PolarHBondContact O-N 3.16Å; I96-G98 PolarHBondContact O-N 2.98Å; G98-S101 PolarHBondContact O-N 3.19Å; G98-Q102 VanDerWaalsContact O-CG 3.29Å; G98-Q102 WeakPolarHBondContact O-CG 3.49Å; G98-Q102 PolarHBondContact O-N 2.93Å
99M96.4Very high96.4Very high83 Ų8371 Ų7141%0.40934%0.338SS..Hα-helixtrans-60.7-49.8177.4-69.3-175.5-59.400111.4R95 I96 S101 Q102 W103R95-M99 WeakPolarHBondContact O-CG 3.29Å; R95-M99 PolarHBondContact O-N 3.08Å; I96-M99 HydrophobicContact CB-CE 4.23Å; I96-M99 HydrophobicContact CG1-CE 3.64Å; I96-M99 PolarHBondContact O-N 2.94Å; M99-S101 VanDerWaalsContact C-N 3.29Å; M99-S101 PolarHBondContact O-N 3.39Å; M99-Q102 WeakPolarHBondContact O-CB 3.48Å; M99-Q102 PolarHBondContact O-N 3.1Å; M99-W103 HydrophobicContact CB-CH2 4.4Å; M99-W103 HydrophobicContact CB-CZ2 4.19Å; M99-W103 PolarHBondContact O-N 3.06Å
100R96.8Very high96.5Very high24 Ų2470 Ų709%0.09133%0.332CS..Hα-helixtrans-56.9-44.9176.1-174-84.3175-177.6-3111.1I96 Q102 W103 K104 D120 V127 Y158I96-R100 WeakPolarHBondContact O-CB 3.4Å; I96-R100 PolarHBondContact O-N 3.17Å; R100-Q102 VanDerWaalsContact C-N 3.29Å; R100-Q102 PolarHBondContact O-N 2.88Å; R100-W103 HydrophobicContact CB-CE3 4.41Å; R100-W103 PolarHBondContact O-N 3.02Å; R100-K104 PolarHBondContact O-N 3.3Å; R100-K104 VanDerWaalsContact O-N 3.16Å; R100-D120 IonicContact CZ-OD1 2.89Å; R100-D120 IonicContact NH2-OD1 2.78Å; R100-D120 PolarHBondContact NH2-OD1 3.33Å; R100-V127 HydrophobicContact CG-CG2 4.39Å; R100-Y158 HydrophobicContact CB-CE1 4.44Å; R100-Y158 VanDerWaalsContact CD-CZ 3.44Å; R100-Y158 HydrophobicContact CG-CE1 3.79Å; R100-Y158 VanDerWaalsContact CZ-CD2 3.4Å; R100-Y158 VanDerWaalsContact NE-CE2 3.27Å; R100-Y158 PolarHBondContact NE-OH 3.22Å
101S96.5Very high96.7Very high30 Ų3073.6 Ų73.621%0.2135%0.346CS..Hα-helixtrans-64.4-32.7177.2177.40000112.7L97 G98 M99 K105L97-S101 VanDerWaalsContact O-CB 3.26Å; L97-S101 WeakPolarHBondContact O-CB 3.42Å; L97-S101 PolarHBondContact O-N 3.49Å; G98-S101 PolarHBondContact O-N 3.19Å; M99-S101 VanDerWaalsContact C-N 3.29Å; M99-S101 PolarHBondContact O-N 3.39Å; S101-K105 VanDerWaalsContact O-CB 3.31Å; S101-K105 WeakPolarHBondContact O-CB 3.35Å; S101-K105 WeakPolarHBondContact O-CD 3.44Å; S101-K105 WeakPolarHBondContact O-CG 3.1Å; S101-K105 PolarHBondContact O-N 2.92Å; S101-K105 VanDerWaalsContact OG-CE 3.31Å; S101-K105 WeakPolarHBondContact OG-CE 3.49Å; S101-K105 PolarHBondContact OG-NZ 2.93Å
102Q96Very high96.8Very high134 Ų13474.8 Ų74.863%0.62635%0.351SS*.Hα-helixtrans-69.6-46.8177.8-76.3170.40.400110.7G98 M99 R100 K104 K105 D106G98-Q102 VanDerWaalsContact O-CG 3.29Å; G98-Q102 WeakPolarHBondContact O-CG 3.49Å; G98-Q102 PolarHBondContact O-N 2.93Å; M99-Q102 WeakPolarHBondContact O-CB 3.48Å; M99-Q102 PolarHBondContact O-N 3.1Å; R100-Q102 VanDerWaalsContact C-N 3.29Å; R100-Q102 PolarHBondContact O-N 2.88Å; Q102-K104 VanDerWaalsContact C-N 3.33Å; Q102-K104 PolarHBondContact O-N 3.06Å; Q102-K105 PolarHBondContact O-N 2.71Å; Q102-D106 PolarHBondContact O-N 3.1Å
103W96.1Very high96.9Very high92 Ų9272.8 Ų72.835%0.34834%0.341SS..Hα-helixtrans-55.4-47.2175.6-59.8-34.1000112M99 R100 K105 L113 L123M99-W103 HydrophobicContact CB-CH2 4.4Å; M99-W103 HydrophobicContact CB-CZ2 4.19Å; M99-W103 PolarHBondContact O-N 3.06Å; R100-W103 HydrophobicContact CB-CE3 4.41Å; R100-W103 PolarHBondContact O-N 3.02Å; W103-K105 VanDerWaalsContact C-N 3.33Å; W103-K105 PolarHBondContact O-N 2.96Å; W103-L113 HydrophobicContact CB-CD1 3.96Å; W103-L113 HydrophobicContact CG-CD1 4.27Å; W103-L123 HydrophobicContact CE3-CD1 4.24Å; W103-L123 HydrophobicContact CZ3-CD2 4.28Å
104K95.5Very high96.9Very high74 Ų7477 Ų7732%0.32236%0.361SS..Hα-helixtrans-70.6-24.7-178.8-166.367.1179.4-168.80113.9R100 Q102 W110 D120R100-K104 PolarHBondContact O-N 3.3Å; R100-K104 VanDerWaalsContact O-N 3.16Å; Q102-K104 VanDerWaalsContact C-N 3.33Å; Q102-K104 PolarHBondContact O-N 3.06Å; K104-W110 HydrophobicContact CD-CD2 3.57Å; K104-W110 HydrophobicContact CD-CE3 3.91Å; K104-W110 HydrophobicContact CD-CG 4.1Å; K104-W110 HydrophobicContact CD-CH2 4.11Å; K104-W110 HydrophobicContact CD-CZ2 3.81Å; K104-W110 HydrophobicContact CD-CZ3 4.16Å; K104-D120 IonicContact NZ-OD1 3.24Å; K104-D120 IonicContact NZ-OD2 3.75Å; K104-D120 PolarHBondContact NZ-OD2 2.94Å
105K95.7Very high96.9Very high150 Ų15082.9 Ų82.965%0.65239%0.386SS*.Hα-helixtrans-85-24.1-176.4-83175.8179.1167.20113.8S101 Q102 W103 P107S101-K105 VanDerWaalsContact O-CB 3.31Å; S101-K105 WeakPolarHBondContact O-CB 3.35Å; S101-K105 WeakPolarHBondContact O-CD 3.44Å; S101-K105 WeakPolarHBondContact O-CG 3.1Å; S101-K105 PolarHBondContact O-N 2.92Å; S101-K105 VanDerWaalsContact OG-CE 3.31Å; S101-K105 WeakPolarHBondContact OG-CE 3.49Å; S101-K105 PolarHBondContact OG-NZ 2.93Å; Q102-K105 PolarHBondContact O-N 2.71Å; W103-K105 VanDerWaalsContact C-N 3.33Å; W103-K105 PolarHBondContact O-N 2.96Å; K105-P107 WeakPolarHBondContact O-CD 3.49Å
106D96.1Very high97Very high78 Ų7879 Ų7942%0.41739%0.387SS..  trans-89.1109.4174.3-177.6-25.2000109Q102 K108 E109 W110Q102-D106 PolarHBondContact O-N 3.1Å; D106-K108 VanDerWaalsContact C-N 3.26Å; D106-K108 PolarHBondContact O-N 2.82Å; D106-K108 PolarHBondContact OD1-N 3.5Å; D106-E109 HydrophobicContact CB-CB 3.78Å; D106-E109 PolarHBondContact O-N 3.25Å; D106-E109 PolarHBondContact OD1-N 3.34Å; D106-W110 WeakPolarHBondContact O-CB 3.41Å; D106-W110 PolarHBondContact O-N 2.72Å
107P96.3Very high97Very high104 Ų10480.3 Ų80.368%0.67541%0.406SS*.Hα-helixtrans-63.4-31.2-175.8-22.434.7000113.5K105 H111K105-P107 WeakPolarHBondContact O-CD 3.49Å; P107-H111 VanDerWaalsContact O-CB 3.25Å; P107-H111 WeakPolarHBondContact O-CB 2.98Å; P107-H111 PolarHBondContact O-N 3.3Å
108K97.6Very high96.9Very high178 Ų17882.2 Ų82.277%0.77442%0.417SS*.Hα-helixtrans-73.7-44.1-179.9-67-177.7178.8-179.60110.4D106 R112D106-K108 VanDerWaalsContact C-N 3.26Å; D106-K108 PolarHBondContact O-N 2.82Å; D106-K108 PolarHBondContact OD1-N 3.5Å; K108-R112 PolarHBondContact O-N 2.92Å; K108-R112 VanDerWaalsContact O-N 3.13Å
109E97Very high96.9Very high45 Ų4583.7 Ų83.721%0.2142%0.419CS..Hα-helixtrans-62.8-47175.6-175.759.6-155.800110.9D106 H111 R112 L113D106-E109 HydrophobicContact CB-CB 3.78Å; D106-E109 PolarHBondContact O-N 3.25Å; D106-E109 PolarHBondContact OD1-N 3.34Å; E109-H111 PolarHBondContact O-N 3.03Å; E109-R112 WeakPolarHBondContact O-CB 3.41Å; E109-R112 PolarHBondContact O-N 3.12Å; E109-R112 IonicContact OE1-CZ 2.95Å; E109-R112 IonicContact OE1-NE 3.39Å; E109-R112 IonicContact OE1-NH2 3.19Å; E109-R112 PolarHBondContact OE1-NH2 3.16Å; E109-R112 IonicContact OE2-CZ 3.54Å; E109-R112 IonicContact OE2-NE 2.91Å; E109-R112 IonicContact OE2-NH1 3.41Å; E109-R112 IonicContact OE2-NH2 3.39Å; E109-R112 PolarHBondContact OE2-NH2 3.19Å; E109-L113 HydrophobicContact CG-CD1 4.4Å; E109-L113 WeakPolarHBondContact O-CG 3.39Å; E109-L113 PolarHBondContact O-N 2.88Å
110W97.7Very high96.9Very high19 Ų1981.4 Ų81.47%0.07241%0.409CS..Hα-helixtrans-62.1-45.7-179.6-172.2-109.3000112.2K104 D106 R112 L113 E114 D119 L123K104-W110 HydrophobicContact CD-CD2 3.57Å; K104-W110 HydrophobicContact CD-CE3 3.91Å; K104-W110 HydrophobicContact CD-CG 4.1Å; K104-W110 HydrophobicContact CD-CH2 4.11Å; K104-W110 HydrophobicContact CD-CZ2 3.81Å; K104-W110 HydrophobicContact CD-CZ3 4.16Å; D106-W110 WeakPolarHBondContact O-CB 3.41Å; D106-W110 PolarHBondContact O-N 2.72Å; W110-R112 VanDerWaalsContact C-N 3.3Å; W110-R112 PolarHBondContact O-N 2.67Å; W110-L113 HydrophobicContact CE3-CB 4.49Å; W110-L113 HydrophobicContact CE3-CD1 3.95Å; W110-L113 HydrophobicContact CZ3-CD1 4.14Å; W110-L113 WeakPolarHBondContact O-CB 3.44Å; W110-L113 PolarHBondContact O-N 3.01Å; W110-L113 VanDerWaalsContact O-N 3.1Å; W110-E114 HydrophobicContact CZ2-CG 4.25Å; W110-E114 PolarHBondContact NE1-OE1 3.19Å; W110-E114 WeakPolarHBondContact O-CG 3.2Å; W110-E114 PolarHBondContact O-N 2.7Å; W110-D119 HydrophobicContact CZ2-CB 4.38Å; W110-L123 HydrophobicContact CH2-CD1 3.92Å; W110-L123 HydrophobicContact CZ3-CD1 3.6Å
111H97.9Very high96.9Very high103 Ų10385.2 Ų85.248%0.47744%0.435SS..Hα-helixtrans-60-40.5176.6-179.751.6000112.1P107 E109 L113 E114 E115P107-H111 VanDerWaalsContact O-CB 3.25Å; P107-H111 WeakPolarHBondContact O-CB 2.98Å; P107-H111 PolarHBondContact O-N 3.3Å; E109-H111 PolarHBondContact O-N 3.03Å; H111-L113 VanDerWaalsContact C-N 3.32Å; H111-L113 PolarHBondContact O-N 2.59Å; H111-E114 PolarHBondContact O-N 3.24Å; H111-E115 IonicContact CE1-OE1 3.64Å; H111-E115 PolarHBondContact CE1-OE1 2.69Å; H111-E115 WeakPolarHBondContact O-CG 3.44Å; H111-E115 PolarHBondContact O-N 3.36Å
112R97.8Very high97Very high154 Ų15487.2 Ų87.258%0.58145%0.446SS*.Hα-helixtrans-61.7-39.8174.9-176.4-179.671.2-173.63.9112.4K108 E109 W110 A116K108-R112 PolarHBondContact O-N 2.92Å; K108-R112 VanDerWaalsContact O-N 3.13Å; E109-R112 WeakPolarHBondContact O-CB 3.41Å; E109-R112 PolarHBondContact O-N 3.12Å; E109-R112 IonicContact OE1-CZ 2.95Å; E109-R112 IonicContact OE1-NE 3.39Å; E109-R112 IonicContact OE1-NH2 3.19Å; E109-R112 PolarHBondContact OE1-NH2 3.16Å; E109-R112 IonicContact OE2-CZ 3.54Å; E109-R112 IonicContact OE2-NE 2.91Å; E109-R112 IonicContact OE2-NH1 3.41Å; E109-R112 IonicContact OE2-NH2 3.39Å; E109-R112 PolarHBondContact OE2-NH2 3.19Å; W110-R112 VanDerWaalsContact C-N 3.3Å; W110-R112 PolarHBondContact O-N 2.67Å; R112-A116 WeakPolarHBondContact O-CB 3.28Å; R112-A116 PolarHBondContact O-N 3.49Å; R112-A116 VanDerWaalsContact O-N 3.16Å
113L97.7Very high97Very high31 Ų3181.9 Ų81.916%0.16242%0.421CS..Hα-helixtrans-65.6-43176.1-69.2171.4000111W103 E109 W110 H111 A116 G117 V118W103-L113 HydrophobicContact CB-CD1 3.96Å; W103-L113 HydrophobicContact CG-CD1 4.27Å; E109-L113 HydrophobicContact CG-CD1 4.4Å; E109-L113 WeakPolarHBondContact O-CG 3.39Å; E109-L113 PolarHBondContact O-N 2.88Å; W110-L113 HydrophobicContact CE3-CB 4.49Å; W110-L113 HydrophobicContact CE3-CD1 3.95Å; W110-L113 HydrophobicContact CZ3-CD1 4.14Å; W110-L113 WeakPolarHBondContact O-CB 3.44Å; W110-L113 PolarHBondContact O-N 3.01Å; W110-L113 VanDerWaalsContact O-N 3.1Å; H111-L113 VanDerWaalsContact C-N 3.32Å; H111-L113 PolarHBondContact O-N 2.59Å; L113-A116 CarbonylContact O-C 3.6Å; L113-A116 WeakPolarHBondContact O-CA 3.34Å; L113-A116 WeakPolarHBondContact O-CB 3.16Å; L113-A116 PolarHBondContact O-N 3.36Å; L113-A116 VanDerWaalsContact O-N 3.1Å; L113-G117 PolarHBondContact O-N 3.3Å; L113-V118 CarbonylContact C-O 3.49Å; L113-V118 HydrophobicContact CB-CB 4.26Å; L113-V118 WeakPolarHBondContact CB-O 2.94Å; L113-V118 HydrophobicContact CD2-CB 4.33Å; L113-V118 HydrophobicContact CD2-CG1 4.32Å; L113-V118 CarbonylContact O-C 3.54Å; L113-V118 WeakPolarHBondContact O-CA 3.46Å; L113-V118 PolarHBondContact O-N 3.03Å
114E97.7Very high97.1Very high89 Ų8978.5 Ų78.542%0.41641%0.41SS..Hα-helixtrans-60.2-46.1175.8-71.3177.4144.800112.1W110 H111 A116 G117 D119W110-E114 HydrophobicContact CZ2-CG 4.25Å; W110-E114 PolarHBondContact NE1-OE1 3.19Å; W110-E114 WeakPolarHBondContact O-CG 3.2Å; W110-E114 PolarHBondContact O-N 2.7Å; H111-E114 PolarHBondContact O-N 3.24Å; E114-A116 PolarHBondContact O-N 2.91Å; E114-G117 PolarHBondContact O-N 3.39Å; E114-D119 HydrophobicContact CG-CB 4.4Å
115E97.8Very high97.2Very high148 Ų14877.7 Ų77.769%0.69241%0.412SS*.Hα-helixtrans-61.9-27.2175-70.4-65.1131.600112.8H111 G117H111-E115 IonicContact CE1-OE1 3.64Å; H111-E115 PolarHBondContact CE1-OE1 2.69Å; H111-E115 WeakPolarHBondContact O-CG 3.44Å; H111-E115 PolarHBondContact O-N 3.36Å; E115-G117 VanDerWaalsContact C-N 3.27Å
116A97.8Very high97.3Very high74 Ų7473.3 Ų73.361%0.61240%0.404SS*.THydrogen-bonded Turntrans-84.83.9174.100000113.5R112 L113 E114 V118R112-A116 WeakPolarHBondContact O-CB 3.28Å; R112-A116 PolarHBondContact O-N 3.49Å; R112-A116 VanDerWaalsContact O-N 3.16Å; L113-A116 CarbonylContact O-C 3.6Å; L113-A116 WeakPolarHBondContact O-CA 3.34Å; L113-A116 WeakPolarHBondContact O-CB 3.16Å; L113-A116 PolarHBondContact O-N 3.36Å; L113-A116 VanDerWaalsContact O-N 3.1Å; E114-A116 PolarHBondContact O-N 2.91Å; A116-V118 VanDerWaalsContact C-N 3.33Å
117G97.3Very high97.3Very high49 Ų4970 Ų7051%0.50539%0.387SS..THydrogen-bonded Turntrans74.419.2-176.900000114.2L113 E114 E115 V122L113-G117 PolarHBondContact O-N 3.3Å; E114-G117 PolarHBondContact O-N 3.39Å; E115-G117 VanDerWaalsContact C-N 3.27Å; G117-V122 WeakPolarHBondContact O-CG2 3.39Å
118V97.3Very high97.4Very high42 Ų4265.2 Ų65.226%0.25536%0.356SS..  trans-109.282.2179.7-174.70000109.3L113 A116 V122 L123L113-V118 CarbonylContact C-O 3.49Å; L113-V118 HydrophobicContact CB-CB 4.26Å; L113-V118 WeakPolarHBondContact CB-O 2.94Å; L113-V118 HydrophobicContact CD2-CB 4.33Å; L113-V118 HydrophobicContact CD2-CG1 4.32Å; L113-V118 CarbonylContact O-C 3.54Å; L113-V118 WeakPolarHBondContact O-CA 3.46Å; L113-V118 PolarHBondContact O-N 3.03Å; A116-V118 VanDerWaalsContact C-N 3.33Å; V118-V122 HydrophobicContact CG1-CG1 4.39Å; V118-L123 HydrophobicContact CG1-CD1 4.24Å; V118-L123 HydrophobicContact CG1-CD2 3.75Å; V118-L123 HydrophobicContact CG1-CG 3.83Å
119D95.9Very high97.4Very high56 Ų5658.8 Ų58.830%0.29933%0.333SS..SBendtrans-106.9-165.5177.369.45.5000111.9W110 E114 T121 V122 L123W110-D119 HydrophobicContact CZ2-CB 4.38Å; E114-D119 HydrophobicContact CG-CB 4.4Å; D119-T121 PolarHBondContact O-N 3.26Å; D119-T121 WeakPolarHBondContact OD1-CA 3.48Å; D119-T121 VanDerWaalsContact OD1-CB 3.28Å; D119-T121 WeakPolarHBondContact OD1-CB 3.49Å; D119-T121 PolarHBondContact OD1-N 3.1Å; D119-T121 PolarHBondContact OD1-OG1 3.1Å; D119-V122 PolarHBondContact O-N 3.04Å; D119-V122 PolarHBondContact OD1-N 3.43Å; D119-L123 WeakPolarHBondContact O-CG 3.15Å; D119-L123 PolarHBondContact O-N 2.95Å
120D96.9Very high97.5Very high36 Ų3661.2 Ų61.219%0.19334%0.343CS..Hα-helixtrans-61.2-28.4176.8-70.7-64.2000112.1R100 K104 V122 D124R100-D120 IonicContact CZ-OD1 2.89Å; R100-D120 IonicContact NH2-OD1 2.78Å; R100-D120 PolarHBondContact NH2-OD1 3.33Å; K104-D120 IonicContact NZ-OD1 3.24Å; K104-D120 IonicContact NZ-OD2 3.75Å; K104-D120 PolarHBondContact NZ-OD2 2.94Å; D120-V122 VanDerWaalsContact C-N 3.29Å; D120-V122 PolarHBondContact O-N 3.16Å; D120-D124 WeakPolarHBondContact O-CB 3.12Å; D120-D124 VanDerWaalsContact O-CG 3.23Å; D120-D124 PolarHBondContact O-N 3.44Å
121T97Very high97.5Very high104 Ų10460.3 Ų60.364%0.63834%0.34SS*.Hα-helixtrans-70-26.3179.875.30000112.9D119 P125D119-T121 PolarHBondContact O-N 3.26Å; D119-T121 WeakPolarHBondContact OD1-CA 3.48Å; D119-T121 VanDerWaalsContact OD1-CB 3.28Å; D119-T121 WeakPolarHBondContact OD1-CB 3.49Å; D119-T121 PolarHBondContact OD1-N 3.1Å; D119-T121 PolarHBondContact OD1-OG1 3.1Å; T121-P125 WeakPolarHBondContact O-CD 3.32Å; T121-P125 WeakPolarHBondContact O-CG 3.29Å
122V97.1Very high97.5Very high71 Ų7155.4 Ų55.443%0.4332%0.317SS..Hα-helixtrans-90-44.9174.9176.30000111.3G117 V118 D119 D120G117-V122 WeakPolarHBondContact O-CG2 3.39Å; V118-V122 HydrophobicContact CG1-CG1 4.39Å; D119-V122 PolarHBondContact O-N 3.04Å; D119-V122 PolarHBondContact OD1-N 3.43Å; D120-V122 VanDerWaalsContact C-N 3.29Å; D120-V122 PolarHBondContact O-N 3.16Å
123L96.8Very high97.4Very high22 Ų2251 Ų5112%0.11530%0.303CS..Hα-helixtrans-74.6-36.8-173.7-69.2178.9000113.1W103 W110 V118 D119 A126 V127W103-L123 HydrophobicContact CE3-CD1 4.24Å; W103-L123 HydrophobicContact CZ3-CD2 4.28Å; W110-L123 HydrophobicContact CH2-CD1 3.92Å; W110-L123 HydrophobicContact CZ3-CD1 3.6Å; V118-L123 HydrophobicContact CG1-CD1 4.24Å; V118-L123 HydrophobicContact CG1-CD2 3.75Å; V118-L123 HydrophobicContact CG1-CG 3.83Å; D119-L123 WeakPolarHBondContact O-CG 3.15Å; D119-L123 PolarHBondContact O-N 2.95Å; L123-A126 PolarHBondContact O-N 3.49Å; L123-V127 WeakPolarHBondContact O-CB 3.46Å; L123-V127 VanDerWaalsContact O-CG2 3.29Å; L123-V127 WeakPolarHBondContact O-CG2 3.45Å; L123-V127 PolarHBondContact O-N 3.1Å
124D97.8Very high97.4Very high22 Ų2251 Ų5112%0.11830%0.304CS..Hα-helixtrans-64.5-45.9-175.7-73.92.3000112.5D120 A126 S128 Y158 L162D120-D124 WeakPolarHBondContact O-CB 3.12Å; D120-D124 VanDerWaalsContact O-CG 3.23Å; D120-D124 PolarHBondContact O-N 3.44Å; D124-A126 VanDerWaalsContact C-N 3.34Å; D124-A126 PolarHBondContact O-N 3.07Å; D124-S128 VanDerWaalsContact O-CB 3.23Å; D124-S128 WeakPolarHBondContact O-CB 3.43Å; D124-S128 PolarHBondContact O-N 3.33Å; D124-S128 PolarHBondContact O-OG 2.79Å; D124-Y158 WeakPolarHBondContact OD1-CE2 3.38Å; D124-Y158 VanDerWaalsContact OD1-CZ 3.26Å; D124-Y158 PolarHBondContact OD1-OH 3.27Å; D124-L162 HydrophobicContact CB-CD2 3.48Å; D124-L162 VanDerWaalsContact CB-CD2 3.48Å
125P97.5Very high97.3Very high56 Ų5646.8 Ų46.836%0.36429%0.285SS..Hα-helixtrans-61.1-39.3172.3-25.235.8000113.1T121 S128 S129T121-P125 WeakPolarHBondContact O-CD 3.32Å; T121-P125 WeakPolarHBondContact O-CG 3.29Å; P125-S128 WeakPolarHBondContact CA-OG 3.45Å; P125-S128 PolarHBondContact O-OG 2.56Å; P125-S129 WeakPolarHBondContact O-CB 3.41Å; P125-S129 PolarHBondContact O-N 2.66Å; P125-S129 PolarHBondContact O-OG 3.02Å
126A97.5Very high97.2Very high58 Ų5839.8 Ų39.848%0.47925%0.252SS..Hα-helixtrans-66.8-49.3179.800000111.9L123 D124 F130L123-A126 PolarHBondContact O-N 3.49Å; D124-A126 VanDerWaalsContact C-N 3.34Å; D124-A126 PolarHBondContact O-N 3.07Å; A126-F130 WeakPolarHBondContact O-CB 3.46Å; A126-F130 PolarHBondContact O-N 3.29Å
127V98.1Very high97.1Very high10 Ų1042.3 Ų42.36%0.06125%0.246CC..Hα-helixtrans-65.7-44.6179.5173.30000110.9I96 R100 L123 F130 I131 Y158 L162I96-V127 HydrophobicContact CG2-CG1 3.97Å; I96-V127 HydrophobicContact CG2-CG2 4.37Å; R100-V127 HydrophobicContact CG-CG2 4.39Å; L123-V127 WeakPolarHBondContact O-CB 3.46Å; L123-V127 VanDerWaalsContact O-CG2 3.29Å; L123-V127 WeakPolarHBondContact O-CG2 3.45Å; L123-V127 PolarHBondContact O-N 3.1Å; V127-F130 PolarHBondContact O-N 3.13Å; V127-I131 HydrophobicContact CG1-CD1 3.72Å; V127-I131 HydrophobicContact CG1-CG1 4.39Å; V127-I131 VanDerWaalsContact O-CG1 3.32Å; V127-I131 WeakPolarHBondContact O-CG1 3.43Å; V127-I131 PolarHBondContact O-N 2.96Å; V127-Y158 HydrophobicContact CG1-CE1 4.06Å; V127-L162 HydrophobicContact CB-CD1 4.44Å; V127-L162 HydrophobicContact CG1-CD1 3.9Å
128S98Very high96.8Very high2 Ų243.1 Ų43.11%0.01424%0.236CC..Hα-helixtrans-66.5-41.5179.260.70000112.6N56 D124 P125 F130 I131 L132N56-S128 WeakPolarHBondContact ND2-CB 3.35Å; N56-S128 PolarHBondContact ND2-OG 3Å; D124-S128 VanDerWaalsContact O-CB 3.23Å; D124-S128 WeakPolarHBondContact O-CB 3.43Å; D124-S128 PolarHBondContact O-N 3.33Å; D124-S128 PolarHBondContact O-OG 2.79Å; P125-S128 WeakPolarHBondContact CA-OG 3.45Å; P125-S128 PolarHBondContact O-OG 2.56Å; S128-F130 VanDerWaalsContact C-N 3.33Å; S128-F130 PolarHBondContact O-N 3.31Å; S128-I131 PolarHBondContact O-N 3.46Å; S128-L132 WeakPolarHBondContact O-CB 3.28Å; S128-L132 PolarHBondContact O-N 3.16Å
129S97.5Very high96.6Very high44 Ų4441.9 Ų41.931%0.30823%0.232SC..Hα-helixtrans-59.1-45.6173.9-61.50000110.8P125 L132 E133P125-S129 WeakPolarHBondContact O-CB 3.41Å; P125-S129 PolarHBondContact O-N 2.66Å; P125-S129 PolarHBondContact O-OG 3.02Å; S129-L132 PolarHBondContact O-N 2.72Å; S129-E133 VanDerWaalsContact O-CB 3.32Å; S129-E133 WeakPolarHBondContact O-CB 3.47Å; S129-E133 WeakPolarHBondContact O-CG 3.32Å; S129-E133 PolarHBondContact O-N 2.91Å
130F97.8Very high96.4Very high95 Ų9543.5 Ų43.542%0.41725%0.246SC..Hα-helixtrans-58.6-52176.5-174-72.5000111.8I92 I96 A126 V127 S128 L132 E133 V134I92-F130 HydrophobicContact CG2-CE1 3.51Å; I92-F130 HydrophobicContact CG2-CZ 3.76Å; I96-F130 HydrophobicContact CD1-CD1 3.08Å; I96-F130 HydrophobicContact CD1-CD2 4.04Å; I96-F130 HydrophobicContact CD1-CE1 2.93Å; I96-F130 HydrophobicContact CD1-CE2 3.88Å; I96-F130 HydrophobicContact CD1-CG 3.69Å; I96-F130 HydrophobicContact CD1-CZ 3.35Å; I96-F130 HydrophobicContact CG1-CE1 4.41Å; A126-F130 WeakPolarHBondContact O-CB 3.46Å; A126-F130 PolarHBondContact O-N 3.29Å; V127-F130 PolarHBondContact O-N 3.13Å; S128-F130 VanDerWaalsContact C-N 3.33Å; S128-F130 PolarHBondContact O-N 3.31Å; F130-L132 VanDerWaalsContact C-N 3.33Å; F130-L132 PolarHBondContact O-N 2.72Å; F130-E133 PolarHBondContact O-N 3.2Å; F130-V134 HydrophobicContact CD1-CG2 3.96Å; F130-V134 HydrophobicContact CE1-CG2 3.42Å; F130-V134 VanDerWaalsContact CE1-CG2 3.42Å; F130-V134 HydrophobicContact CZ-CG2 4.04Å; F130-V134 WeakPolarHBondContact O-CG2 3.28Å; F130-V134 PolarHBondContact O-N 3.11Å
131I98.3Very high96.2Very high0 Ų044.6 Ų44.60%025%0.251CS..Hα-helixtrans-60.1-46.5-178.3-70170.2000110.2I93 L97 V127 S128 V134 I135 L159 L162 F163I93-I131 HydrophobicContact CD1-CG2 4.18Å; I93-I131 HydrophobicContact CG1-CG1 4.41Å; I93-I131 HydrophobicContact CG1-CG2 4.3Å; I93-I131 HydrophobicContact CG2-CD1 4.36Å; I93-I131 HydrophobicContact CG2-CG1 4.26Å; I93-I131 HydrophobicContact CG2-CG2 4.33Å; L97-I131 HydrophobicContact CD2-CD1 3.94Å; L97-I131 HydrophobicContact CG-CD1 4.34Å; V127-I131 HydrophobicContact CG1-CD1 3.72Å; V127-I131 HydrophobicContact CG1-CG1 4.39Å; V127-I131 VanDerWaalsContact O-CG1 3.32Å; V127-I131 WeakPolarHBondContact O-CG1 3.43Å; V127-I131 PolarHBondContact O-N 2.96Å; S128-I131 PolarHBondContact O-N 3.46Å; I131-V134 PolarHBondContact O-N 3.3Å; I131-I135 HydrophobicContact CG2-CD1 3.71Å; I131-I135 HydrophobicContact CG2-CG1 4.38Å; I131-I135 WeakPolarHBondContact O-CG1 3.49Å; I131-I135 PolarHBondContact O-N 3.46Å; I131-L159 HydrophobicContact CD1-CD2 4.01Å; I131-L162 HydrophobicContact CD1-CD1 4.4Å; I131-F163 HydrophobicContact CB-CE2 4.23Å; I131-F163 HydrophobicContact CB-CZ 4.08Å; I131-F163 HydrophobicContact CG2-CE2 3.8Å; I131-F163 HydrophobicContact CG2-CZ 3.86Å
132L97.3Very high96Very high1 Ų140.6 Ų40.61%0.00523%0.228CC..Hα-helixtrans-63.4-44.7-177.9-173.958.3000111.6Y54 N55 L58 L60 S128 S129 F130 V134 I135 V136 F163Y54-L132 HydrophobicContact CD2-CD1 4.11Å; Y54-L132 HydrophobicContact CD2-CD2 3.71Å; Y54-L132 HydrophobicContact CD2-CG 3.67Å; Y54-L132 HydrophobicContact CE2-CD2 4.21Å; Y54-L132 HydrophobicContact CE2-CG 3.93Å; N55-L132 VanDerWaalsContact C-CD2 3.5Å; L58-L132 HydrophobicContact CD2-CD1 4.25Å; L60-L132 HydrophobicContact CD1-CD1 4.34Å; S128-L132 WeakPolarHBondContact O-CB 3.28Å; S128-L132 PolarHBondContact O-N 3.16Å; S129-L132 PolarHBondContact O-N 2.72Å; F130-L132 VanDerWaalsContact C-N 3.33Å; F130-L132 PolarHBondContact O-N 2.72Å; L132-V134 PolarHBondContact O-N 3.22Å; L132-I135 PolarHBondContact O-N 3.45Å; L132-V136 HydrophobicContact CD1-CG2 3.99Å; L132-V136 HydrophobicContact CG-CG2 4.38Å; L132-V136 WeakPolarHBondContact O-CB 3.25Å; L132-V136 VanDerWaalsContact O-CG2 3.22Å; L132-V136 WeakPolarHBondContact O-CG2 3.44Å; L132-V136 PolarHBondContact O-N 2.67Å; L132-F163 HydrophobicContact CB-CE1 4.08Å; L132-F163 HydrophobicContact CB-CZ 4.27Å; L132-F163 HydrophobicContact CD1-CE1 4.23Å
133E96.4Very high95.9Very high60 Ų6044 Ų4428%0.2824%0.24SC..Hα-helixtrans-62.5-41.8176.9-73.5-62.2137.700112.1Y54 S129 F130 R137Y54-E133 VanDerWaalsContact CE2-OE1 3.28Å; Y54-E133 WeakPolarHBondContact CE2-OE1 3.27Å; Y54-E133 PolarHBondContact OH-OE1 2.97Å; Y54-E133 PolarHBondContact OH-OE2 3.16Å; Y54-E133 VanDerWaalsContact OH-OE2 3.1Å; S129-E133 VanDerWaalsContact O-CB 3.32Å; S129-E133 WeakPolarHBondContact O-CB 3.47Å; S129-E133 WeakPolarHBondContact O-CG 3.32Å; S129-E133 PolarHBondContact O-N 2.91Å; F130-E133 PolarHBondContact O-N 3.2Å; E133-R137 VanDerWaalsContact O-CB 3.28Å; E133-R137 WeakPolarHBondContact O-CB 3.4Å; E133-R137 WeakPolarHBondContact O-CG 3.27Å; E133-R137 PolarHBondContact O-N 3.19Å; E133-R137 WeakPolarHBondContact OE2-CD 3.45Å; E133-R137 IonicContact OE2-CZ 3.35Å; E133-R137 IonicContact OE2-NE 2.62Å; E133-R137 PolarHBondContact OE2-NE 2.89Å; E133-R137 IonicContact OE2-NH2 3.27Å; E133-R137 PolarHBondContact OE2-NH2 2.75Å
134V97Very high95.9Very high32 Ų3244.4 Ų44.419%0.19424%0.24CC..Hα-helixtrans-58.8-58173.3169.30000109.8T90 I93 F130 I131 L132 V136 R137 H138T90-V134 HydrophobicContact CG2-CG1 3.91Å; I93-V134 HydrophobicContact CD1-CG1 4.2Å; I93-V134 HydrophobicContact CG1-CG1 4.36Å; F130-V134 HydrophobicContact CD1-CG2 3.96Å; F130-V134 HydrophobicContact CE1-CG2 3.42Å; F130-V134 VanDerWaalsContact CE1-CG2 3.42Å; F130-V134 HydrophobicContact CZ-CG2 4.04Å; F130-V134 WeakPolarHBondContact O-CG2 3.28Å; F130-V134 PolarHBondContact O-N 3.11Å; I131-V134 PolarHBondContact O-N 3.3Å; L132-V134 PolarHBondContact O-N 3.22Å; V134-V136 VanDerWaalsContact C-N 3.31Å; V134-V136 PolarHBondContact O-N 2.76Å; V134-R137 PolarHBondContact O-N 3.01Å; V134-H138 WeakPolarHBondContact O-CB 3.47Å; V134-H138 PolarHBondContact O-CD2 2.89Å; V134-H138 PolarHBondContact O-N 3.32Å; V134-H138 VanDerWaalsContact O-N 3.07Å
135I97.2Very high95.9Very high1 Ų143.4 Ų43.41%0.00523%0.234CC..Hα-helixtrans-54-49.6-177.4-68.6173.1000110.1L60 F62 R85 I93 I131 L132 H138 L145 D147L60-I135 HydrophobicContact CD1-CD1 3.93Å; L60-I135 HydrophobicContact CD2-CD1 4.47Å; L60-I135 HydrophobicContact CD2-CG2 3.97Å; F62-I135 HydrophobicContact CE1-CD1 3.85Å; F62-I135 HydrophobicContact CZ-CD1 4.06Å; R85-I135 PolarHBondContact NH1-O 2.96Å; R85-I135 PolarHBondContact NH2-O 3.34Å; I93-I135 HydrophobicContact CD1-CD1 4.1Å; I93-I135 HydrophobicContact CD1-CG1 3.68Å; I131-I135 HydrophobicContact CG2-CD1 3.71Å; I131-I135 HydrophobicContact CG2-CG1 4.38Å; I131-I135 WeakPolarHBondContact O-CG1 3.49Å; I131-I135 PolarHBondContact O-N 3.46Å; L132-I135 PolarHBondContact O-N 3.45Å; I135-H138 PolarHBondContact O-CD2 2.86Å; I135-L145 HydrophobicContact CG2-CB 3.94Å; I135-L145 HydrophobicContact CG2-CD1 4.23Å; I135-D147 HydrophobicContact CD1-CB 3.88Å; I135-D147 HydrophobicContact CG1-CB 4.07Å
136V95.9Very high96Very high0 Ų040.8 Ų40.80%022%0.217CC..Hα-helixtrans-68-39.2-174.6173.60000112.2R49 Y54 R85 L132 V134 L141 L145R49-V136 PolarHBondContact NH1-O 3.02Å; Y54-V136 HydrophobicContact CD1-CG1 4.04Å; Y54-V136 HydrophobicContact CD1-CG2 4.38Å; Y54-V136 HydrophobicContact CD2-CG2 3.76Å; Y54-V136 HydrophobicContact CE1-CB 4.39Å; Y54-V136 HydrophobicContact CE1-CG1 3.59Å; Y54-V136 HydrophobicContact CE1-CG2 4.43Å; Y54-V136 HydrophobicContact CE2-CB 4.14Å; Y54-V136 HydrophobicContact CE2-CG1 4.23Å; Y54-V136 HydrophobicContact CE2-CG2 3.81Å; Y54-V136 HydrophobicContact CG-CG2 4.05Å; R85-V136 PolarHBondContact NH2-O 3.18Å; L132-V136 HydrophobicContact CD1-CG2 3.99Å; L132-V136 HydrophobicContact CG-CG2 4.38Å; L132-V136 WeakPolarHBondContact O-CB 3.25Å; L132-V136 VanDerWaalsContact O-CG2 3.22Å; L132-V136 WeakPolarHBondContact O-CG2 3.44Å; L132-V136 PolarHBondContact O-N 2.67Å; V134-V136 VanDerWaalsContact C-N 3.31Å; V134-V136 PolarHBondContact O-N 2.76Å; V136-L141 HydrophobicContact CG1-CD2 3.71Å; V136-L145 HydrophobicContact CB-CD1 4.25Å; V136-L145 HydrophobicContact CG2-CD1 3.64Å
137R94.2Very high96Very high128 Ų12838 Ų3848%0.48319%0.194SC..Hα-helixtrans-95.3-21.3-168.3-63.3-169-176.6-119.8-2.5115.8E133 V134 G139E133-R137 VanDerWaalsContact O-CB 3.28Å; E133-R137 WeakPolarHBondContact O-CB 3.4Å; E133-R137 WeakPolarHBondContact O-CG 3.27Å; E133-R137 PolarHBondContact O-N 3.19Å; E133-R137 WeakPolarHBondContact OE2-CD 3.45Å; E133-R137 IonicContact OE2-CZ 3.35Å; E133-R137 IonicContact OE2-NE 2.62Å; E133-R137 PolarHBondContact OE2-NE 2.89Å; E133-R137 IonicContact OE2-NH2 3.27Å; E133-R137 PolarHBondContact OE2-NH2 2.75Å; V134-R137 PolarHBondContact O-N 3.01Å; R137-G139 PolarHBondContact O-N 3.22Å
138H92.5Very high96Very high65 Ų6537.6 Ų37.630%0.30119%0.191SC..SBendtrans-73.81.9-174.183.777.6000114.9R85 C86 V134 I135R85-H138 PolarHBondContact NH1-CE1 3.43Å; R85-H138 VanDerWaalsContact NH1-CE1 3.33Å; R85-H138 PolarHBondContact NH1-NE2 2.85Å; C86-H138 PolarHBondContact O-CE1 2.96Å; C86-H138 VanDerWaalsContact O-CE1 3.3Å; C86-H138 PolarHBondContact O-NE2 3.04Å; V134-H138 WeakPolarHBondContact O-CB 3.47Å; V134-H138 PolarHBondContact O-CD2 2.89Å; V134-H138 PolarHBondContact O-N 3.32Å; V134-H138 VanDerWaalsContact O-N 3.07Å; I135-H138 PolarHBondContact O-CD2 2.86Å
139G91.7Very high95.9Very high17 Ų1737.6 Ų37.618%0.17519%0.191CC..SBendtrans-160.2-176.6179.800000112.5R49 R137R49-G139 PolarHBondContact NH1-O 3.08Å; R49-G139 PolarHBondContact NH2-O 2.92Å; R137-G139 PolarHBondContact O-N 3.22Å
140P91.7Very high95.9Very high89 Ų8936 Ų3658%0.57818%0.18SC*.  trans-63.5151.3172.526.7-32.2000110.9R85R85-P140 HydrophobicContact CG-CG 4.3Å; R85-P140 PolarHBondContact NE-O 3.14Å; R85-P140 PolarHBondContact NH2-O 3.09Å
141L92.6Very high95.8Very high60 Ų6034 Ų3431%0.31417%0.171SC..  trans-70.4147.1172-68.4177.8000110R49 F52 V136R49-L141 HydrophobicContact CG-CD1 4.4Å; F52-L141 HydrophobicContact CB-CD1 3.74Å; F52-L141 HydrophobicContact CD1-CD1 4.19Å; F52-L141 HydrophobicContact CD1-CD2 4.08Å; F52-L141 HydrophobicContact CE1-CD2 4.43Å; F52-L141 HydrophobicContact CG-CD1 4.05Å; V136-L141 HydrophobicContact CG1-CD2 3.71Å
142A94Very high95.8Very high19 Ų1934 Ų3416%0.15717%0.171CC..  trans-145.5162.517200000108.3R85 R144 L145R85-A142 HydrophobicContact CB-CB 3.64Å; A142-R144 PolarHBondContact O-N 3.2Å; A142-L145 HydrophobicContact CB-CD2 4.27Å
143H93.9Very high95.8Very high144 Ų14434 Ų3467%0.66717%0.171SC*.SBendtrans-59.3-39.5179.7-176.3-179.1000111.2D83D83-H143 HydrophobicContact CB-CB 4.15Å; D83-H143 PolarHBondContact O-N 2.94Å
144R97.5Very high95.9Very high30 Ų3034 Ų3411%0.11317%0.17CC..EExtended strand (participates in β ladder)trans-116.8115.7176.3-16969.163.6135.710.2110.4P59 I61 D83 I84 R85 A142 L246 I248P59-R144 VanDerWaalsContact CB-NH1 3.27Å; P59-R144 WeakPolarHBondContact O-CD 3.41Å; P59-R144 PolarHBondContact O-NH1 2.95Å; I61-R144 HydrophobicContact CD1-CG 3.41Å; I61-R144 VanDerWaalsContact CD1-CG 3.41Å; I61-R144 HydrophobicContact CG1-CG 3.87Å; D83-R144 PolarHBondContact O-N 3.24Å; I84-R144 WeakPolarHBondContact CA-O 3.39Å; I84-R144 HydrophobicContact CG1-CB 4.21Å; R85-R144 PolarHBondContact N-O 3.18Å; A142-R144 PolarHBondContact O-N 3.2Å; R144-L246 PolarHBondContact NH2-O 3.02Å; R144-L246 VanDerWaalsContact NH2-O 3.16Å; R144-I248 HydrophobicContact CB-CD1 4.29Å; R144-I248 HydrophobicContact CG-CD1 3.84Å
145L98Very high95.9Very high1 Ų133.3 Ų33.31%0.00517%0.167CC..EExtended strand (participates in β ladder)trans-92.8145.8174.7-61.1-172.7000110.9L58 L60 I61 R85 I135 V136 A142L58-L145 HydrophobicContact CD2-CB 4.48Å; L58-L145 HydrophobicContact CD2-CD1 3.97Å; L58-L145 HydrophobicContact CD2-CG 4.4Å; L60-L145 HydrophobicContact CD2-CB 3.87Å; I61-L145 PolarHBondContact N-O 3.45Å; R85-L145 HydrophobicContact CB-CD2 4.43Å; I135-L145 HydrophobicContact CG2-CB 3.94Å; I135-L145 HydrophobicContact CG2-CD1 4.23Å; V136-L145 HydrophobicContact CB-CD1 4.25Å; V136-L145 HydrophobicContact CG2-CD1 3.64Å; A142-L145 HydrophobicContact CB-CD2 4.27Å
146C98.1Very high96Very high0 Ų033.3 Ų33.30%017%0.167CC..EExtended strand (participates in β ladder)trans-136.3150.7-175.8160.50000109.2I61 I63 I84 R85 C86I61-C146 HydrophobicContact CB-CB 3.87Å; I61-C146 CarbonylContact O-C 3.54Å; I61-C146 WeakPolarHBondContact O-CA 3.46Å; I63-C146 WeakPolarHBondContact CD1-SG 3.34Å; I84-C146 HydrophobicContact CG2-CB 4.34Å; R85-C146 PolarHBondContact O-N 2.89Å; C86-C146 VanDerWaalsContact CA-CB 3.47Å; C86-C146 VanDerWaalsContact CA-O 3.29Å; C86-C146 WeakPolarHBondContact CA-O 3.27Å; C86-C146 HydrophobicContact CB-CB 3.64Å; C86-C146 WeakPolarHBondContact CB-SG 3.36Å; C86-C146 VanDerWaalsContact O-O 3.08Å; C86-C146 WeakPolarHBondContact SG-CB 3.33Å; C86-C146 CovalentContact SG-SG 2.04Å; C86-C146 PolarHBondContact SG-SG 3.27Å
147D98.3Very high96.1Very high0 Ų035.2 Ų35.20%018%0.18CC..EExtended strand (participates in β ladder)trans-121.3130.8167.4175.354.4000108.6I61 F62 I63 I93 I135 V152I61-D147 PolarHBondContact O-N 2.62Å; F62-D147 WeakPolarHBondContact CA-O 3.19Å; F62-D147 HydrophobicContact CD1-CB 3.83Å; F62-D147 HydrophobicContact CE1-CB 4Å; I63-D147 PolarHBondContact N-O 2.85Å; I93-D147 HydrophobicContact CD1-CB 4.3Å; I93-D147 WeakPolarHBondContact CD1-OD1 3.49Å; I135-D147 HydrophobicContact CD1-CB 3.88Å; I135-D147 HydrophobicContact CG1-CB 4.07Å; D147-V152 WeakPolarHBondContact OD2-CG1 3.09Å
148K97.5Very high96.3Very high1 Ų129.7 Ų29.70%0.00416%0.159CC..EExtended strand (participates in β ladder)trans-117104.5171.5-176.3-82-49.9-167.40108.6I63 T72 R75 E89 E271I63-K148 HydrophobicContact CB-CB 4.16Å; I63-K148 HydrophobicContact CB-CG 4.06Å; I63-K148 HydrophobicContact CG2-CG 4.07Å; I63-K148 WeakPolarHBondContact O-CA 3.48Å; T72-K148 PolarHBondContact OG1-NZ 3.44Å; R75-K148 HydrophobicContact CB-CB 4.14Å; R75-K148 HydrophobicContact CB-CG 4.04Å; R75-K148 HydrophobicContact CG-CB 3.93Å; R75-K148 HydrophobicContact CG-CG 4.35Å; E89-K148 IonicContact OE2-NZ 2.72Å; E89-K148 PolarHBondContact OE2-NZ 2.04Å; K148-E271 IonicContact NZ-OE1 3.02Å; K148-E271 IonicContact NZ-OE2 3.78Å; K148-E271 PolarHBondContact NZ-OE2 3.36Å
149D97.5Very high96.6Very high2 Ų226.6 Ų26.61%0.01115%0.145CC..  trans-143.8113.8173.6-103.9-67.3000107.5I63 E89 T90 R91 P94 F151 V152I63-D149 PolarHBondContact O-N 2.82Å; E89-D149 WeakPolarHBondContact CG-OD1 3.36Å; T90-D149 PolarHBondContact N-OD2 3.05Å; T90-D149 PolarHBondContact OG1-OD2 2.93Å; R91-D149 VanDerWaalsContact CA-OD1 3.3Å; R91-D149 WeakPolarHBondContact CA-OD1 3.49Å; R91-D149 PolarHBondContact N-OD1 2.74Å; R91-D149 VanDerWaalsContact N-OD1 3.09Å; R91-D149 PolarHBondContact N-OD2 3.4Å; P94-D149 HydrophobicContact CG-CB 3.52Å; D149-F151 PolarHBondContact O-N 2.8Å; D149-V152 HydrophobicContact CB-CG1 3.6Å; D149-V152 WeakPolarHBondContact O-CG1 3.45Å; D149-V152 WeakPolarHBondContact O-CG2 3.35Å; D149-V152 PolarHBondContact O-N 2.89Å
150P96.1Very high96.9Very high10 Ų1026.3 Ų26.37%0.06514%0.141CC..G310 helixtrans-49.8-40.2-167.1-29.834.2000114.8G64 G65 P67 E89 V152G64-P150 WeakPolarHBondContact CA-O 3.45Å; G65-P150 PolarHBondContact N-O 2.8Å; G65-P150 CarbonylContact O-C 3.43Å; G65-P150 VanDerWaalsContact O-C 3.31Å; G65-P150 WeakPolarHBondContact O-CA 3.23Å; G65-P150 VanDerWaalsContact O-CB 3.22Å; G65-P150 WeakPolarHBondContact O-CB 3.41Å; P67-P150 HydrophobicContact CG-CB 4.32Å; E89-P150 WeakPolarHBondContact OE2-CD 3.22Å; P150-V152 PolarHBondContact O-N 2.97Å
151F96.7Very high97.1Very high54 Ų5428.7 Ų28.724%0.23714%0.139CC..G310 helixtrans-83.8-1.6-174.7-68.6-58.9000115.6P67 P94 D149 L153 K154 V189 T207 M211P67-F151 HydrophobicContact CG-CE1 4.19Å; P67-F151 HydrophobicContact CG-CE2 3.76Å; P67-F151 HydrophobicContact CG-CZ 3.46Å; P67-F151 VanDerWaalsContact CG-CZ 3.46Å; P94-F151 HydrophobicContact CB-CB 4.08Å; P94-F151 HydrophobicContact CG-CB 4.46Å; D149-F151 PolarHBondContact O-N 2.8Å; F151-L153 PolarHBondContact O-N 3.14Å; F151-K154 HydrophobicContact CD1-CD 3.9Å; F151-K154 HydrophobicContact CD1-CG 4.44Å; F151-K154 WeakPolarHBondContact O-CB 3.49Å; F151-K154 PolarHBondContact O-N 2.97Å; F151-V189 HydrophobicContact CE2-CG1 3.9Å; F151-V189 HydrophobicContact CZ-CG1 3.6Å; F151-T207 HydrophobicContact CE1-CG2 4.21Å; F151-M211 HydrophobicContact CD1-CE 3.66Å; F151-M211 HydrophobicContact CE1-CE 4.18Å
152V97.9Very high97.4Very high0 Ų026.2 Ų26.20%013%0.126CC..G310 helixtrans-61.2-27.4174.6-59.30000112.2F62 I93 P94 L97 D147 D149 P150 K154 S155 L159F62-V152 HydrophobicContact CB-CG2 4.12Å; F62-V152 HydrophobicContact CD1-CG2 4.4Å; I93-V152 HydrophobicContact CG2-CG1 3.9Å; P94-V152 HydrophobicContact CG-CG1 3.97Å; L97-V152 HydrophobicContact CD1-CB 4.39Å; L97-V152 HydrophobicContact CD1-CG1 4.2Å; D147-V152 WeakPolarHBondContact OD2-CG1 3.09Å; D149-V152 HydrophobicContact CB-CG1 3.6Å; D149-V152 WeakPolarHBondContact O-CG1 3.45Å; D149-V152 WeakPolarHBondContact O-CG2 3.35Å; D149-V152 PolarHBondContact O-N 2.89Å; P150-V152 PolarHBondContact O-N 2.97Å; V152-K154 PolarHBondContact O-N 3.48Å; V152-K154 VanDerWaalsContact O-N 3.11Å; V152-S155 PolarHBondContact O-N 3.08Å; V152-L159 HydrophobicContact CB-CD1 3.98Å
153L97.4Very high97.6Very high0 Ų025.3 Ų25.30%012%0.118CC..G310 helixtrans-67.9-6.4175.9-85.7-76.6000113.6G64 F151 V156 F168 F170 M211 E214G64-L153 VanDerWaalsContact CA-CD2 3.43Å; F151-L153 PolarHBondContact O-N 3.14Å; L153-V156 HydrophobicContact CB-CG2 4.43Å; L153-V156 HydrophobicContact CD1-CG2 3.64Å; L153-V156 HydrophobicContact CG-CG2 4.49Å; L153-F168 HydrophobicContact CD1-CB 4.43Å; L153-F170 HydrophobicContact CD1-CB 3.85Å; L153-F170 HydrophobicContact CD1-CD2 4.39Å; L153-F170 HydrophobicContact CD1-CG 4.31Å; L153-F170 HydrophobicContact CG-CD2 4.36Å; L153-M211 HydrophobicContact CB-CB 4.24Å; L153-M211 HydrophobicContact CB-CE 4.49Å; L153-M211 HydrophobicContact CB-CG 3.94Å; L153-M211 HydrophobicContact CB-SD 4.31Å; L153-E214 WeakPolarHBondContact O-CB 3.49Å
154K97.6Very high97.8Very high62 Ų6221.9 Ų21.927%0.2711%0.109SC..G310 helixtrans-80.1-6.6167.6-70.3-175.5169.1178.30113.3F151 V152 Q210 M211F151-K154 HydrophobicContact CD1-CD 3.9Å; F151-K154 HydrophobicContact CD1-CG 4.44Å; F151-K154 WeakPolarHBondContact O-CB 3.49Å; F151-K154 PolarHBondContact O-N 2.97Å; V152-K154 PolarHBondContact O-N 3.48Å; V152-K154 VanDerWaalsContact O-N 3.11Å; K154-Q210 PolarHBondContact O-NE2 3.47Å; K154-M211 HydrophobicContact CG-CE 3.89Å; K154-M211 HydrophobicContact CG-CG 4.22Å
155S98.2Very high97.8Very high17 Ų1724.5 Ų24.512%0.11913%0.125CC..SBendtrans-135.227.6-172.4-57.50000111.9V152 S157 Y158 L159V152-S155 PolarHBondContact O-N 3.08Å; S155-S157 VanDerWaalsContact C-N 3.32Å; S155-S157 PolarHBondContact O-N 3.05Å; S155-Y158 PolarHBondContact O-N 3.09Å; S155-Y158 VanDerWaalsContact O-N 3.09Å; S155-L159 PolarHBondContact O-N 3.17Å
156V98.5Very high97.9Very high0 Ų024.5 Ų24.50%013%0.125CC..Hα-helixtrans-55.2-49.2-178.9-177.80000110.5L153 Y158 L159 A160 F168 E214 A218L153-V156 HydrophobicContact CB-CG2 4.43Å; L153-V156 HydrophobicContact CD1-CG2 3.64Å; L153-V156 HydrophobicContact CG-CG2 4.49Å; V156-Y158 PolarHBondContact O-N 3.19Å; V156-Y158 VanDerWaalsContact O-N 3.14Å; V156-L159 PolarHBondContact O-N 2.78Å; V156-A160 WeakPolarHBondContact O-CB 3.04Å; V156-A160 PolarHBondContact O-N 3.35Å; V156-F168 HydrophobicContact CB-CD1 4.43Å; V156-F168 HydrophobicContact CB-CE1 4.46Å; V156-F168 HydrophobicContact CG1-CD1 3.89Å; V156-F168 HydrophobicContact CG1-CD2 3.6Å; V156-F168 HydrophobicContact CG1-CE1 4Å; V156-F168 HydrophobicContact CG1-CE2 3.71Å; V156-F168 HydrophobicContact CG1-CG 3.72Å; V156-F168 HydrophobicContact CG1-CZ 3.92Å; V156-F168 HydrophobicContact CG2-CD1 4.15Å; V156-F168 HydrophobicContact CG2-CG 4.46Å; V156-E214 HydrophobicContact CB-CB 3.88Å; V156-E214 HydrophobicContact CG2-CB 3.82Å; V156-E214 PolarHBondContact N-OE2 3.27Å; V156-A218 HydrophobicContact CG1-CB 3.57Å
157S97.9Very high97.9Very high41 Ų4126 Ų2629%0.28713%0.132SC..Hα-helixtrans-59.5-31-178.6-53.30000112.8S155 E214S155-S157 VanDerWaalsContact C-N 3.32Å; S155-S157 PolarHBondContact O-N 3.05Å; S157-E214 VanDerWaalsContact CB-OE2 3.28Å; S157-E214 WeakPolarHBondContact CB-OE2 3.49Å; S157-E214 PolarHBondContact N-OE2 3.46Å; S157-E214 PolarHBondContact OG-OE2 3.01Å
158Y98.2Very high97.9Very high11 Ų1126 Ų264%0.04313%0.132CC..Hα-helixtrans-80.5-47.9177.1-174.5-125.1000111.8L97 R100 D124 V127 S155 V156 A160 R161 L162L97-Y158 HydrophobicContact CD2-CD1 3.76Å; L97-Y158 HydrophobicContact CD2-CE1 4.16Å; R100-Y158 HydrophobicContact CB-CE1 4.44Å; R100-Y158 VanDerWaalsContact CD-CZ 3.44Å; R100-Y158 HydrophobicContact CG-CE1 3.79Å; R100-Y158 VanDerWaalsContact CZ-CD2 3.4Å; R100-Y158 VanDerWaalsContact NE-CE2 3.27Å; R100-Y158 PolarHBondContact NE-OH 3.22Å; D124-Y158 WeakPolarHBondContact OD1-CE2 3.38Å; D124-Y158 VanDerWaalsContact OD1-CZ 3.26Å; D124-Y158 PolarHBondContact OD1-OH 3.27Å; V127-Y158 HydrophobicContact CG1-CE1 4.06Å; S155-Y158 PolarHBondContact O-N 3.09Å; S155-Y158 VanDerWaalsContact O-N 3.09Å; V156-Y158 PolarHBondContact O-N 3.19Å; V156-Y158 VanDerWaalsContact O-N 3.14Å; Y158-A160 VanDerWaalsContact C-N 3.25Å; Y158-A160 PolarHBondContact O-N 3.24Å; Y158-R161 WeakPolarHBondContact O-CB 3.5Å; Y158-R161 PolarHBondContact O-N 3.33Å; Y158-R161 VanDerWaalsContact O-N 3.12Å; Y158-L162 HydrophobicContact CD1-CD1 4.1Å; Y158-L162 HydrophobicContact CD2-CG 4.5Å; Y158-L162 HydrophobicContact CE1-CD1 3.58Å; Y158-L162 HydrophobicContact CE1-CG 4.21Å; Y158-L162 HydrophobicContact CE2-CD1 4.36Å; Y158-L162 HydrophobicContact CE2-CD2 4Å; Y158-L162 HydrophobicContact CE2-CG 4.13Å; Y158-L162 WeakPolarHBondContact O-CG 3.43Å; Y158-L162 PolarHBondContact O-N 3.3Å
159L98.6Very high98Very high0 Ų026 Ų260%013%0.132CC..Hα-helixtrans-59.9-37175.2-73.9171000112.2F62 L97 I131 V152 S155 V156 R161 L162 F163 F168F62-L159 HydrophobicContact CD1-CD1 4.13Å; F62-L159 HydrophobicContact CE1-CD1 4.25Å; F62-L159 HydrophobicContact CE1-CD2 4.16Å; F62-L159 HydrophobicContact CG-CD1 4.29Å; F62-L159 HydrophobicContact CZ-CD2 3.99Å; L97-L159 HydrophobicContact CD1-CD1 3.94Å; L97-L159 HydrophobicContact CD1-CD2 4.16Å; L97-L159 HydrophobicContact CD1-CG 4.18Å; L97-L159 HydrophobicContact CD2-CD2 3.89Å; L97-L159 HydrophobicContact CD2-CG 4.12Å; I131-L159 HydrophobicContact CD1-CD2 4.01Å; V152-L159 HydrophobicContact CB-CD1 3.98Å; S155-L159 PolarHBondContact O-N 3.17Å; V156-L159 PolarHBondContact O-N 2.78Å; L159-R161 PolarHBondContact O-N 3.03Å; L159-L162 PolarHBondContact O-N 2.89Å; L159-F163 HydrophobicContact CD2-CD2 4.25Å; L159-F163 HydrophobicContact CD2-CE2 4.19Å; L159-F163 PolarHBondContact O-N 3.46Å; L159-F168 HydrophobicContact CB-CE1 3.7Å; L159-F168 HydrophobicContact CB-CZ 3.71Å; L159-F168 HydrophobicContact CD1-CE1 3.98Å
160A98Very high98Very high12 Ų1226 Ų2610%0.09913%0.131CC..Hα-helixtrans-64.2-29.7178.500000112.7V156 Y158 F168 R222V156-A160 WeakPolarHBondContact O-CB 3.04Å; V156-A160 PolarHBondContact O-N 3.35Å; Y158-A160 VanDerWaalsContact C-N 3.25Å; Y158-A160 PolarHBondContact O-N 3.24Å; A160-F168 HydrophobicContact CB-CE2 3.98Å; A160-F168 HydrophobicContact CB-CZ 4.16Å; A160-R222 PolarHBondContact O-NH1 2.88Å; A160-R222 PolarHBondContact O-NH2 3.13Å
161R97.5Very high98.2Very high138 Ų13825.5 Ų25.552%0.52113%0.128SC..Hα-helixtrans-77.2-45.6173-173.7-162.9-39-153.7-1.8111.4Y158 L159 F163Y158-R161 WeakPolarHBondContact O-CB 3.5Å; Y158-R161 PolarHBondContact O-N 3.33Å; Y158-R161 VanDerWaalsContact O-N 3.12Å; L159-R161 PolarHBondContact O-N 3.03Å; R161-F163 VanDerWaalsContact C-N 3.34Å; R161-F163 PolarHBondContact O-N 3.16Å
162L98.3Very high98.3Very high8 Ų823.1 Ų23.14%0.04212%0.118CC..Hα-helixtrans-66.2-36179.6-65.7-172.2000112.5N56 D124 V127 I131 Y158 L159N56-L162 WeakPolarHBondContact CB-O 3.34Å; N56-L162 PolarHBondContact ND2-O 3.42Å; D124-L162 HydrophobicContact CB-CD2 3.48Å; D124-L162 VanDerWaalsContact CB-CD2 3.48Å; V127-L162 HydrophobicContact CB-CD1 4.44Å; V127-L162 HydrophobicContact CG1-CD1 3.9Å; I131-L162 HydrophobicContact CD1-CD1 4.4Å; Y158-L162 HydrophobicContact CD1-CD1 4.1Å; Y158-L162 HydrophobicContact CD2-CG 4.5Å; Y158-L162 HydrophobicContact CE1-CD1 3.58Å; Y158-L162 HydrophobicContact CE1-CG 4.21Å; Y158-L162 HydrophobicContact CE2-CD1 4.36Å; Y158-L162 HydrophobicContact CE2-CD2 4Å; Y158-L162 HydrophobicContact CE2-CG 4.13Å; Y158-L162 WeakPolarHBondContact O-CG 3.43Å; Y158-L162 PolarHBondContact O-N 3.3Å; L159-L162 PolarHBondContact O-N 2.89Å
163F98.4Very high98.3Very high0 Ų023.8 Ų23.80%012%0.121CC..SBendtrans-127.586.8-176.9-58-75.2000109.5N56 L60 F62 I131 L132 L159 R161 N165 S166 R222N56-F163 HydrophobicContact CB-CD1 4.28Å; N56-F163 WeakPolarHBondContact O-CA 3.28Å; L60-F163 HydrophobicContact CD1-CD1 3.64Å; L60-F163 HydrophobicContact CD1-CD2 4.3Å; L60-F163 HydrophobicContact CD1-CE1 3.84Å; L60-F163 HydrophobicContact CD1-CE2 4.45Å; L60-F163 HydrophobicContact CD1-CG 3.9Å; L60-F163 HydrophobicContact CD1-CZ 4.24Å; F62-F163 HydrophobicContact CE2-CD2 4.15Å; F62-F163 AromaticContact CZ-CD2 3.96Å; F62-F163 HydrophobicContact CZ-CD2 3.96Å; F62-F163 HydrophobicContact CZ-CE2 4.2Å; I131-F163 HydrophobicContact CB-CE2 4.23Å; I131-F163 HydrophobicContact CB-CZ 4.08Å; I131-F163 HydrophobicContact CG2-CE2 3.8Å; I131-F163 HydrophobicContact CG2-CZ 3.86Å; L132-F163 HydrophobicContact CB-CE1 4.08Å; L132-F163 HydrophobicContact CB-CZ 4.27Å; L132-F163 HydrophobicContact CD1-CE1 4.23Å; L159-F163 HydrophobicContact CD2-CD2 4.25Å; L159-F163 HydrophobicContact CD2-CE2 4.19Å; L159-F163 PolarHBondContact O-N 3.46Å; R161-F163 VanDerWaalsContact C-N 3.34Å; R161-F163 PolarHBondContact O-N 3.16Å; F163-N165 VanDerWaalsContact C-N 3.25Å; F163-N165 PolarHBondContact O-N 3Å; F163-S166 WeakPolarHBondContact O-CB 3.34Å; F163-S166 PolarHBondContact O-N 3.4Å; F163-S166 PolarHBondContact O-OG 2.88Å; F163-R222 PolarHBondContact O-NH2 3.2Å
164P97.9Very high98.4Very high72 Ų7223.8 Ų23.847%0.46812%0.121SC..THydrogen-bonded Turntrans-59.8-30.8-171.4-28.436.9000114.7N56 R222N56-P164 WeakPolarHBondContact O-CD 3.36Å; P164-R222 PolarHBondContact O-NH1 3.01Å; P164-R222 PolarHBondContact O-NH2 3.04Å; P164-R222 VanDerWaalsContact O-NH2 3.1Å
165N98Very high98.4Very high86 Ų8620.9 Ų20.946%0.4611%0.108SC..THydrogen-bonded Turntrans-94.88.1-179.6-62.4-28.1000113.6E57 P59 F163E57-N165 WeakPolarHBondContact O-CB 3.25Å; E57-N165 PolarHBondContact O-ND2 3.38Å; P59-N165 WeakPolarHBondContact CA-O 3.38Å; P59-N165 HydrophobicContact CB-CB 4.1Å; F163-N165 VanDerWaalsContact C-N 3.25Å; F163-N165 PolarHBondContact O-N 3Å
166S98.5Very high98.4Very high0 Ų020.2 Ų20.20%010%0.103CC..  trans-74.9146.2179630000112.7L60 F163 F168 R222L60-S166 CarbonylContact O-C 3.46Å; L60-S166 WeakPolarHBondContact O-CA 3.25Å; L60-S166 WeakPolarHBondContact O-CB 3.31Å; F163-S166 WeakPolarHBondContact O-CB 3.34Å; F163-S166 PolarHBondContact O-N 3.4Å; F163-S166 PolarHBondContact O-OG 2.88Å; S166-F168 WeakPolarHBondContact OG-CZ 3.17Å; S166-R222 PolarHBondContact O-NE 3.36Å; S166-R222 PolarHBondContact O-NH2 2.76Å; S166-R222 PolarHBondContact OG-NH2 3.21Å
167K98.8Very high98.4Very high33 Ų3320.4 Ų20.414%0.14310%0.104CC..EExtended strand (participates in β ladder)trans-117.3147.1172.4-71.5-176.2170.9178.60110.3L60 I61 F62 D221 R222 F245 L246 D247L60-K167 PolarHBondContact O-N 2.77Å; I61-K167 CarbonylContact C-O 3.37Å; I61-K167 WeakPolarHBondContact CA-O 3.48Å; F62-K167 PolarHBondContact N-O 3.25Å; K167-D221 WeakPolarHBondContact CE-O 3.15Å; K167-R222 CarbonylContact C-O 3.56Å; K167-R222 WeakPolarHBondContact CA-O 3.33Å; K167-F245 HydrophobicContact CB-CE1 3.88Å; K167-F245 HydrophobicContact CB-CZ 3.94Å; K167-F245 HydrophobicContact CD-CE1 4.1Å; K167-F245 HydrophobicContact CD-CE2 4.39Å; K167-F245 HydrophobicContact CD-CZ 4.01Å; K167-F245 VanDerWaalsContact CD-O 3.27Å; K167-F245 WeakPolarHBondContact CD-O 3.43Å; K167-F245 WeakPolarHBondContact CE-O 3.42Å; K167-F245 HydrophobicContact CG-CE1 4.34Å; K167-F245 HydrophobicContact CG-CZ 4.08Å; K167-F245 PolarHBondContact NZ-O 2.81Å; K167-L246 HydrophobicContact CB-CD2 3.98Å; K167-L246 HydrophobicContact CD-CD2 4.35Å; K167-D247 IonicContact NZ-OD1 3.64Å; K167-D247 IonicContact NZ-OD2 3.53Å; K167-D247 PolarHBondContact NZ-OD2 3.21Å
168F98.9Very high98.4Very high0 Ų018.4 Ų18.40%09%0.09CC..EExtended strand (participates in β ladder)trans-117.9137.9-174.2-57.9-89.9000110F62 L153 V156 L159 A160 S166 R222 C223 F224F62-F168 HydrophobicContact CB-CD1 3.57Å; F62-F168 HydrophobicContact CB-CE1 3.85Å; F62-F168 HydrophobicContact CD2-CD1 4.11Å; F62-F168 AromaticContact CD2-CE1 3.58Å; F62-F168 HydrophobicContact CD2-CE1 3.58Å; F62-F168 HydrophobicContact CD2-CZ 4.11Å; F62-F168 HydrophobicContact CE2-CE1 4.42Å; F62-F168 HydrophobicContact CG-CD1 4.17Å; F62-F168 AromaticContact CG-CE1 3.93Å; F62-F168 HydrophobicContact CG-CE1 3.93Å; F62-F168 CarbonylContact O-C 3.31Å; F62-F168 WeakPolarHBondContact O-CA 3.27Å; L153-F168 HydrophobicContact CD1-CB 4.43Å; V156-F168 HydrophobicContact CB-CD1 4.43Å; V156-F168 HydrophobicContact CB-CE1 4.46Å; V156-F168 HydrophobicContact CG1-CD1 3.89Å; V156-F168 HydrophobicContact CG1-CD2 3.6Å; V156-F168 HydrophobicContact CG1-CE1 4Å; V156-F168 HydrophobicContact CG1-CE2 3.71Å; V156-F168 HydrophobicContact CG1-CG 3.72Å; V156-F168 HydrophobicContact CG1-CZ 3.92Å; V156-F168 HydrophobicContact CG2-CD1 4.15Å; V156-F168 HydrophobicContact CG2-CG 4.46Å; L159-F168 HydrophobicContact CB-CE1 3.7Å; L159-F168 HydrophobicContact CB-CZ 3.71Å; L159-F168 HydrophobicContact CD1-CE1 3.98Å; A160-F168 HydrophobicContact CB-CE2 3.98Å; A160-F168 HydrophobicContact CB-CZ 4.16Å; S166-F168 WeakPolarHBondContact OG-CZ 3.17Å; F168-R222 WeakPolarHBondContact CD2-O 3.06Å; F168-R222 PolarHBondContact N-O 3.4Å; F168-C223 HydrophobicContact CB-CB 4.14Å; F168-C223 WeakPolarHBondContact O-CA 3.17Å; F168-F224 PolarHBondContact O-N 3.08Å
169V98.9Very high98.5Very high0 Ų017.9 Ų17.90%09%0.088CC..EExtended strand (participates in β ladder)trans-115.9116.2172.1-169.50000108.4I61 F62 I63 G64 L74 F224 L226 L242 L246I61-V169 HydrophobicContact CG2-CG2 4.11Å; F62-V169 PolarHBondContact O-N 3.5Å; I63-V169 HydrophobicContact CG1-CB 4.32Å; I63-V169 HydrophobicContact CG1-CG2 4.44Å; G64-V169 PolarHBondContact N-O 3.13Å; L74-V169 HydrophobicContact CD2-CB 4.22Å; L74-V169 HydrophobicContact CD2-CG1 3.56Å; V169-F224 WeakPolarHBondContact CA-O 3.48Å; V169-L226 HydrophobicContact CG1-CB 4.22Å; V169-L242 HydrophobicContact CG1-CD1 4.02Å; V169-L242 HydrophobicContact CG2-CD1 3.64Å; V169-L246 HydrophobicContact CG2-CD2 4.49Å
170F98.8Very high98.4Very high1 Ų119 Ų190%0.0049%0.093CC..EExtended strand (participates in β ladder)trans-98.999.8-179.9177.6-150.5000110.3L153 I172 V208 M211 Y212 C215 F224 P225 L226L153-F170 HydrophobicContact CD1-CB 3.85Å; L153-F170 HydrophobicContact CD1-CD2 4.39Å; L153-F170 HydrophobicContact CD1-CG 4.31Å; L153-F170 HydrophobicContact CG-CD2 4.36Å; F170-I172 HydrophobicContact CD1-CD1 3.96Å; F170-I172 HydrophobicContact CD1-CG1 3.87Å; F170-I172 HydrophobicContact CD2-CG1 4.42Å; F170-I172 HydrophobicContact CE1-CD1 3.92Å; F170-I172 HydrophobicContact CE1-CG1 3.69Å; F170-I172 HydrophobicContact CE2-CG1 4.25Å; F170-I172 HydrophobicContact CG-CG1 4.24Å; F170-I172 HydrophobicContact CZ-CG1 3.91Å; F170-I172 PolarHBondContact O-N 3.02Å; F170-V208 HydrophobicContact CZ-CG1 4.08Å; F170-M211 HydrophobicContact CD2-CB 4.3Å; F170-M211 HydrophobicContact CE1-CB 4.39Å; F170-M211 HydrophobicContact CE2-CB 3.63Å; F170-M211 HydrophobicContact CE2-CG 4.45Å; F170-M211 HydrophobicContact CE2-SD 4.06Å; F170-M211 HydrophobicContact CZ-CB 3.67Å; F170-Y212 HydrophobicContact CE1-CD2 4.09Å; F170-C215 HydrophobicContact CD1-CB 4.21Å; F170-F224 PolarHBondContact N-O 3.09Å; F170-P225 WeakPolarHBondContact O-CA 3.43Å; F170-L226 PolarHBondContact O-N 3.08Å
171M98.8Very high98.4Very high1 Ų119 Ų191%0.0059%0.092CC..EExtended strand (participates in β ladder)trans-72112175.1-69.6-58.1-53.900111.3I63 G64 S69 T71 L74 L226 L231I63-M171 HydrophobicContact CG2-CG 4.26Å; G64-M171 WeakPolarHBondContact O-CB 3.49Å; G64-M171 PolarHBondContact O-N 3.5Å; S69-M171 WeakPolarHBondContact CB-O 3.48Å; S69-M171 WeakPolarHBondContact O-CE 3.29Å; S69-M171 WeakPolarHBondContact OG-CB 3.5Å; S69-M171 PolarHBondContact OG-O 2.67Å; S69-M171 VanDerWaalsContact OG-O 3.08Å; T71-M171 HydrophobicContact CG2-CB 3.83Å; T71-M171 HydrophobicContact CG2-CG 3.82Å; L74-M171 HydrophobicContact CB-SD 4Å; L74-M171 HydrophobicContact CD2-CG 4.12Å; L74-M171 HydrophobicContact CD2-SD 3.49Å; L74-M171 WeakPolarHBondContact CD2-SD 3.46Å; L74-M171 HydrophobicContact CG-SD 4.3Å; M171-L226 WeakPolarHBondContact CA-O 3.49Å; M171-L226 HydrophobicContact CE-CD2 4.48Å; M171-L226 HydrophobicContact CE-CG 4.36Å; M171-L226 HydrophobicContact SD-CB 4Å; M171-L226 HydrophobicContact SD-CD2 3.8Å; M171-L226 HydrophobicContact SD-CG 3.98Å; M171-L231 HydrophobicContact CE-CD2 4.02Å
172I98.8Very high98.4Very high3 Ų312.4 Ų12.42%0.0157%0.067CC..EExtended strand (participates in β ladder)trans-100.6140.1175.1-64.2165.6000108.6F170 P225 L226 Y227 Y228 L311 Y313F170-I172 HydrophobicContact CD1-CD1 3.96Å; F170-I172 HydrophobicContact CD1-CG1 3.87Å; F170-I172 HydrophobicContact CD2-CG1 4.42Å; F170-I172 HydrophobicContact CE1-CD1 3.92Å; F170-I172 HydrophobicContact CE1-CG1 3.69Å; F170-I172 HydrophobicContact CE2-CG1 4.25Å; F170-I172 HydrophobicContact CG-CG1 4.24Å; F170-I172 HydrophobicContact CZ-CG1 3.91Å; F170-I172 PolarHBondContact O-N 3.02Å; I172-P225 HydrophobicContact CD1-CB 3.66Å; I172-L226 PolarHBondContact N-O 2.98Å; I172-Y227 HydrophobicContact CB-CD1 4.39Å; I172-Y227 HydrophobicContact CB-CG 4.39Å; I172-Y227 HydrophobicContact CD1-CD2 4.42Å; I172-Y227 HydrophobicContact CD1-CE2 3.93Å; I172-Y227 HydrophobicContact CG2-CD1 3.88Å; I172-Y227 HydrophobicContact CG2-CE1 3.73Å; I172-Y227 HydrophobicContact CG2-CG 4.37Å; I172-Y227 CarbonylContact O-C 3.27Å; I172-Y227 WeakPolarHBondContact O-CA 3.12Å; I172-Y228 WeakPolarHBondContact O-CB 3.37Å; I172-Y228 PolarHBondContact O-N 2.89Å; I172-L311 HydrophobicContact CD1-CD2 4.17Å; I172-L311 HydrophobicContact CG2-CD1 3.96Å; I172-L311 HydrophobicContact CG2-CD2 4.4Å; I172-Y313 HydrophobicContact CG2-CE2 4.26Å
173R98.6Very high98.4Very high15 Ų1513.4 Ų13.46%0.0577%0.073CC..  trans-147.6151.1175.2-174.3176.4-177.7-175.43.3109R68 G175 Y228 E229 S285R68-R173 VanDerWaalsContact O-CD 3.31Å; R68-R173 WeakPolarHBondContact O-CD 3.26Å; R68-R173 PolarHBondContact O-NH1 2.79Å; R173-G175 PolarHBondContact O-N 2.8Å; R173-G175 VanDerWaalsContact O-N 3.16Å; R173-Y228 HydrophobicContact CG-CD1 3.73Å; R173-Y228 HydrophobicContact CG-CG 4.06Å; R173-Y228 VanDerWaalsContact NE-CD1 3.32Å; R173-E229 VanDerWaalsContact CG-OE1 3.29Å; R173-E229 WeakPolarHBondContact CG-OE1 3.42Å; R173-S285 PolarHBondContact NH2-O 3.36Å
174D98.7Very high98.4Very high0 Ų017 Ų170%010%0.097CC..  trans-50123.4171.9-170.4-42.8000110.4R176 A177 A178 E229 L308 Y313 Y322D174-R176 PolarHBondContact O-N 2.84Å; D174-R176 VanDerWaalsContact OD1-CB 3.24Å; D174-R176 WeakPolarHBondContact OD1-CB 3.44Å; D174-R176 IonicContact OD1-CZ 3.96Å; D174-R176 PolarHBondContact OD1-N 3.41Å; D174-R176 IonicContact OD1-NE 3.89Å; D174-R176 PolarHBondContact OD1-NE 3.23Å; D174-R176 IonicContact OD1-NH2 3.77Å; D174-R176 IonicContact OD2-CZ 3.89Å; D174-R176 IonicContact OD2-NE 2.84Å; D174-R176 PolarHBondContact OD2-NE 2.83Å; D174-R176 IonicContact OD2-NH2 3.19Å; D174-R176 PolarHBondContact OD2-NH2 3.21Å; D174-A177 HydrophobicContact CB-CB 4.21Å; D174-A177 PolarHBondContact O-N 3.27Å; D174-A177 VanDerWaalsContact O-N 3.1Å; D174-A178 PolarHBondContact O-N 3.15Å; D174-E229 PolarHBondContact N-OE1 3.23Å; D174-L308 WeakPolarHBondContact OD1-CD2 3.3Å; D174-Y313 HydrophobicContact CB-CD1 3.99Å; D174-Y313 HydrophobicContact CB-CE1 3.74Å; D174-Y313 PolarHBondContact N-OH 3.33Å; D174-Y322 HydrophobicContact CB-CE1 4.1Å; D174-Y322 VanDerWaalsContact CB-OH 3.26Å; D174-Y322 WeakPolarHBondContact CB-OH 3.47Å; D174-Y322 PolarHBondContact OD2-OH 3.42Å
175G98.4Very high98.2Very high0 Ų016.8 Ų16.80%09%0.087CC..Hα-helixtrans-59.2-32.1-176.800000113.6R173 V179 W204R173-G175 PolarHBondContact O-N 2.8Å; R173-G175 VanDerWaalsContact O-N 3.16Å; G175-V179 VanDerWaalsContact O-CB 3.23Å; G175-V179 WeakPolarHBondContact O-CB 3.48Å; G175-V179 VanDerWaalsContact O-CG2 3.28Å; G175-V179 WeakPolarHBondContact O-CG2 3.3Å; G175-V179 PolarHBondContact O-N 3.39Å; G175-W204 VanDerWaalsContact CA-CD2 3.46Å; G175-W204 VanDerWaalsContact N-CZ2 3.35Å
176R98.4Very high98.1Very high4 Ų414.5 Ų14.52%0.0158%0.084CC..Hα-helixtrans-65.7-45.2177-61.5167.7-67.9-1735.1110.3D174 H180 L201 W289 I293 M301 L308 D314 P315 S317D174-R176 PolarHBondContact O-N 2.84Å; D174-R176 VanDerWaalsContact OD1-CB 3.24Å; D174-R176 WeakPolarHBondContact OD1-CB 3.44Å; D174-R176 IonicContact OD1-CZ 3.96Å; D174-R176 PolarHBondContact OD1-N 3.41Å; D174-R176 IonicContact OD1-NE 3.89Å; D174-R176 PolarHBondContact OD1-NE 3.23Å; D174-R176 IonicContact OD1-NH2 3.77Å; D174-R176 IonicContact OD2-CZ 3.89Å; D174-R176 IonicContact OD2-NE 2.84Å; D174-R176 PolarHBondContact OD2-NE 2.83Å; D174-R176 IonicContact OD2-NH2 3.19Å; D174-R176 PolarHBondContact OD2-NH2 3.21Å; R176-H180 WeakPolarHBondContact O-CB 3.13Å; R176-H180 PolarHBondContact O-N 3.12Å; R176-L201 HydrophobicContact CG-CD2 4.38Å; R176-W289 HydrophobicContact CB-CD2 3.63Å; R176-W289 HydrophobicContact CB-CE3 3.76Å; R176-W289 HydrophobicContact CB-CG 4.14Å; R176-W289 HydrophobicContact CB-CH2 4.18Å; R176-W289 HydrophobicContact CB-CZ2 4Å; R176-W289 HydrophobicContact CB-CZ3 4.07Å; R176-W289 VanDerWaalsContact CD-CH2 3.46Å; R176-W289 HydrophobicContact CG-CE3 4.49Å; R176-W289 HydrophobicContact CG-CH2 4.4Å; R176-W289 HydrophobicContact CG-CZ3 4.36Å; R176-I293 HydrophobicContact CB-CD1 3.72Å; R176-I293 HydrophobicContact CG-CD1 3.93Å; R176-M301 HydrophobicContact CG-CE 3.8Å; R176-M301 HydrophobicContact CG-SD 3.8Å; R176-L308 HydrophobicContact CG-CD1 4.16Å; R176-D314 PolarHBondContact NH1-O 2.95Å; R176-D314 PolarHBondContact NH2-O 3.09Å; R176-P315 PolarHBondContact NH1-O 3.47Å; R176-P315 VanDerWaalsContact NH1-O 3.14Å; R176-S317 PolarHBondContact NH1-O 3.14Å
177A98.4Very high97.9Very high3 Ų315.6 Ų15.63%0.0259%0.091CC..Hα-helixtrans-68.2-43.4176.800000112.5D174 S181 W289D174-A177 HydrophobicContact CB-CB 4.21Å; D174-A177 PolarHBondContact O-N 3.27Å; D174-A177 VanDerWaalsContact O-N 3.1Å; A177-S181 VanDerWaalsContact O-CB 3.3Å; A177-S181 WeakPolarHBondContact O-CB 3.23Å; A177-S181 PolarHBondContact O-N 3.27Å; A177-W289 VanDerWaalsContact CA-CD1 3.47Å; A177-W289 VanDerWaalsContact CB-CD1 3.46Å; A177-W289 HydrophobicContact CB-CG 4.37Å
178A98.3Very high97.6Very high0 Ų019.7 Ų19.70%012%0.119CC..Hα-helixtrans-64.9-49179.800000111.8F66 D174 S181 M182F66-A178 HydrophobicContact CD1-CB 4.14Å; D174-A178 PolarHBondContact O-N 3.15Å; A178-S181 PolarHBondContact O-N 2.86Å; A178-M182 PolarHBondContact O-N 2.84Å
179V98.5Very high97.2Very high0 Ų020.5 Ų20.50%012%0.124CC..Hα-helixtrans-64.6-46.9178167.30000111.2G175 S181 M182 I183 Y197 C200 L201 W204G175-V179 VanDerWaalsContact O-CB 3.23Å; G175-V179 WeakPolarHBondContact O-CB 3.48Å; G175-V179 VanDerWaalsContact O-CG2 3.28Å; G175-V179 WeakPolarHBondContact O-CG2 3.3Å; G175-V179 PolarHBondContact O-N 3.39Å; V179-S181 VanDerWaalsContact C-N 3.28Å; V179-S181 PolarHBondContact O-N 2.63Å; V179-M182 WeakPolarHBondContact O-CB 3.33Å; V179-M182 PolarHBondContact O-N 3.02Å; V179-M182 VanDerWaalsContact O-N 3.08Å; V179-I183 HydrophobicContact CG1-CD1 3.69Å; V179-I183 HydrophobicContact CG1-CG1 4.39Å; V179-I183 WeakPolarHBondContact O-CG1 3.39Å; V179-I183 PolarHBondContact O-N 2.99Å; V179-Y197 HydrophobicContact CG1-CD1 3.93Å; V179-Y197 HydrophobicContact CG1-CE1 4.3Å; V179-C200 HydrophobicContact CB-CB 4.44Å; V179-C200 HydrophobicContact CG1-CB 3.42Å; V179-C200 VanDerWaalsContact CG1-CB 3.42Å; V179-C200 HydrophobicContact CG2-CB 4.15Å; V179-L201 HydrophobicContact CB-CD2 4.16Å; V179-L201 HydrophobicContact CB-CG 4.32Å; V179-L201 HydrophobicContact CG1-CG 4.24Å; V179-L201 HydrophobicContact CG2-CD2 3.93Å; V179-L201 HydrophobicContact CG2-CG 4.15Å; V179-W204 HydrophobicContact CG2-CB 3.84Å; V179-W204 HydrophobicContact CG2-CG 4.27Å
180H98.4Very high96.9Very high23 Ų2327.6 Ų27.611%0.10617%0.167CC..Hα-helixtrans-58.4-42.417617963.4000111.7R176 M182 I183 S184 Y197 L288 W289R176-H180 WeakPolarHBondContact O-CB 3.13Å; R176-H180 PolarHBondContact O-N 3.12Å; H180-M182 VanDerWaalsContact C-N 3.31Å; H180-M182 PolarHBondContact O-N 3.08Å; H180-I183 PolarHBondContact O-N 3.01Å; H180-S184 VanDerWaalsContact O-CB 3.3Å; H180-S184 WeakPolarHBondContact O-CB 3.43Å; H180-S184 PolarHBondContact O-N 3.38Å; H180-S184 PolarHBondContact O-OG 3.37Å; H180-Y197 HydrophobicContact CB-CE1 4.21Å; H180-Y197 AromaticContact ND1-CZ 3.89Å; H180-Y197 PolarHBondContact ND1-OH 3.02Å; H180-L288 PolarHBondContact NE2-O 3.37Å; H180-W289 HydrophobicContact CB-CB 3.51Å
181S97.9Very high96.6Very high11 Ų1129.9 Ų29.98%0.07719%0.191CC..Hα-helixtrans-65.1-33.5176.5-177.90000112.9R68 A177 A178 V179 R185R68-S181 PolarHBondContact NE-OG 3.25Å; R68-S181 PolarHBondContact NH2-OG 3.24Å; A177-S181 VanDerWaalsContact O-CB 3.3Å; A177-S181 WeakPolarHBondContact O-CB 3.23Å; A177-S181 PolarHBondContact O-N 3.27Å; A178-S181 PolarHBondContact O-N 2.86Å; V179-S181 VanDerWaalsContact C-N 3.28Å; V179-S181 PolarHBondContact O-N 2.63Å; S181-R185 VanDerWaalsContact O-CB 3.28Å; S181-R185 WeakPolarHBondContact O-CB 3.29Å; S181-R185 VanDerWaalsContact O-CG 3.32Å; S181-R185 WeakPolarHBondContact O-CG 3.25Å; S181-R185 PolarHBondContact O-N 2.66Å
182M97.7Very high96.5Very high0 Ų031.2 Ų31.20%020%0.197CC..Hα-helixtrans-68.2-47.4176.7-178.6-177.868.400110.9F66 R68 A178 V179 H180 G186 V187 V189 F192 L194 C200F66-M182 HydrophobicContact CE1-SD 4.17Å; F66-M182 HydrophobicContact CZ-CE 4.47Å; F66-M182 HydrophobicContact CZ-SD 4.1Å; R68-M182 HydrophobicContact CG-CB 3.91Å; A178-M182 PolarHBondContact O-N 2.84Å; V179-M182 WeakPolarHBondContact O-CB 3.33Å; V179-M182 PolarHBondContact O-N 3.02Å; V179-M182 VanDerWaalsContact O-N 3.08Å; H180-M182 VanDerWaalsContact C-N 3.31Å; H180-M182 PolarHBondContact O-N 3.08Å; M182-G186 PolarHBondContact O-N 3.41Å; M182-V187 HydrophobicContact CG-CB 4.04Å; M182-V187 HydrophobicContact CG-CG1 4.41Å; M182-V187 WeakPolarHBondContact CG-O 2.81Å; M182-V187 PolarHBondContact O-N 3.49Å; M182-V189 HydrophobicContact SD-CB 4.45Å; M182-V189 HydrophobicContact SD-CG2 3.93Å; M182-F192 HydrophobicContact CE-CB 4.26Å; M182-F192 HydrophobicContact CE-CD1 3.6Å; M182-F192 HydrophobicContact CE-CE1 4.29Å; M182-F192 HydrophobicContact CE-CG 4.17Å; M182-F192 HydrophobicContact SD-CD1 4.15Å; M182-F192 HydrophobicContact SD-CG 4.36Å; M182-L194 HydrophobicContact CE-CD2 3.99Å; M182-L194 HydrophobicContact CG-CD2 3.95Å; M182-L194 HydrophobicContact SD-CD2 4.36Å; M182-C200 HydrophobicContact CE-CB 3.91Å; M182-C200 VanDerWaalsContact CE-SG 3.53Å
183I98.1Very high96.4Very high30 Ų3034.4 Ų34.415%0.15421%0.214CC..Hα-helixtrans-65.2-57.4179.7-70172.1000111V179 H180 R185 G186 L194 Y197 C200V179-I183 HydrophobicContact CG1-CD1 3.69Å; V179-I183 HydrophobicContact CG1-CG1 4.39Å; V179-I183 WeakPolarHBondContact O-CG1 3.39Å; V179-I183 PolarHBondContact O-N 2.99Å; H180-I183 PolarHBondContact O-N 3.01Å; I183-R185 PolarHBondContact O-N 2.9Å; I183-R185 VanDerWaalsContact O-N 3.14Å; I183-G186 PolarHBondContact O-N 2.87Å; I183-L194 HydrophobicContact CG1-CB 4.48Å; I183-L194 HydrophobicContact CG1-CD2 4.33Å; I183-L194 VanDerWaalsContact CG2-O 3.27Å; I183-L194 WeakPolarHBondContact CG2-O 3.4Å; I183-Y197 HydrophobicContact CD1-CD1 3.7Å; I183-Y197 HydrophobicContact CD1-CD2 3.93Å; I183-Y197 HydrophobicContact CD1-CE1 3.68Å; I183-Y197 HydrophobicContact CD1-CE2 3.91Å; I183-Y197 HydrophobicContact CD1-CG 3.82Å; I183-Y197 HydrophobicContact CG2-CE2 4.32Å; I183-C200 HydrophobicContact CD1-CB 4.38Å
184S96.9Very high96.3Very high74 Ų7435.5 Ų35.552%0.51722%0.221SC..Hα-helixtrans-61.8-25.9-17557.20000113.9H180H180-S184 VanDerWaalsContact O-CB 3.3Å; H180-S184 WeakPolarHBondContact O-CB 3.43Å; H180-S184 PolarHBondContact O-N 3.38Å; H180-S184 PolarHBondContact O-OG 3.37Å
185R94.8Very high96.3Very high68 Ų6844.8 Ų44.826%0.25726%0.261SS..THydrogen-bonded Turntrans-98.71.9178.5-59.7-171.465.8101.913.1113.9S181 I183 V187 K272 D275 Q276S181-R185 VanDerWaalsContact O-CB 3.28Å; S181-R185 WeakPolarHBondContact O-CB 3.29Å; S181-R185 VanDerWaalsContact O-CG 3.32Å; S181-R185 WeakPolarHBondContact O-CG 3.25Å; S181-R185 PolarHBondContact O-N 2.66Å; I183-R185 PolarHBondContact O-N 2.9Å; I183-R185 VanDerWaalsContact O-N 3.14Å; R185-V187 VanDerWaalsContact C-N 3.33Å; R185-V187 HydrophobicContact CB-CG2 4.01Å; R185-V187 PolarHBondContact O-N 2.97Å; R185-K272 PolarHBondContact NE-O 3.17Å; R185-K272 VanDerWaalsContact NE-O 3.07Å; R185-K272 PolarHBondContact NH2-O 3.49Å; R185-D275 IonicContact CZ-OD1 3.93Å; R185-D275 IonicContact CZ-OD2 3.43Å; R185-D275 IonicContact NH1-OD1 3.42Å; R185-D275 PolarHBondContact NH1-OD1 2.97Å; R185-D275 IonicContact NH1-OD2 3.46Å; R185-D275 PolarHBondContact NH1-OD2 2.98Å; R185-D275 IonicContact NH2-OD1 3.86Å; R185-D275 PolarHBondContact NH2-OD1 3.37Å; R185-D275 IonicContact NH2-OD2 2.76Å; R185-D275 PolarHBondContact NH2-OD2 3.07Å; R185-Q276 VanDerWaalsContact NH1-CD 3.32Å
186G95.2Very high96.3Very high38 Ų3847.6 Ų47.639%0.39228%0.276SS..THydrogen-bonded Turntrans60.439.7-179.700000113.1M182 I183 T188M182-G186 PolarHBondContact O-N 3.41Å; I183-G186 PolarHBondContact O-N 2.87Å; G186-T188 PolarHBondContact O-N 3.25Å
187V94Very high96.3Very high24 Ų2448.9 Ų48.915%0.14528%0.281CS..  trans-82.7104.3-179.4175.30000108.2M182 R185 V189 K272M182-V187 HydrophobicContact CG-CB 4.04Å; M182-V187 HydrophobicContact CG-CG1 4.41Å; M182-V187 WeakPolarHBondContact CG-O 2.81Å; M182-V187 PolarHBondContact O-N 3.49Å; R185-V187 VanDerWaalsContact C-N 3.33Å; R185-V187 HydrophobicContact CB-CG2 4.01Å; R185-V187 PolarHBondContact O-N 2.97Å; V187-V189 HydrophobicContact CG1-CG2 4.35Å; V187-K272 HydrophobicContact CG2-CB 3.82Å; V187-K272 HydrophobicContact CG2-CG 3.86Å
188T93.2Very high96.3Very high118 Ų11851.8 Ų51.872%0.72429%0.292SS*.  trans-77.3126.3-178.153.80000111.2G186 L194G186-T188 PolarHBondContact O-N 3.25Å; T188-L194 HydrophobicContact CG2-CD1 4.33Å
189V91.5Very high96.3Very high18 Ų1854.5 Ų54.511%0.10930%0.304CS..  trans-129.4130.7176.2-178.40000107.1P67 F151 M182 V187 G191 F192P67-V189 HydrophobicContact CB-CG2 4.12Å; P67-V189 HydrophobicContact CG-CG1 4.47Å; P67-V189 HydrophobicContact CG-CG2 4Å; F151-V189 HydrophobicContact CE2-CG1 3.9Å; F151-V189 HydrophobicContact CZ-CG1 3.6Å; M182-V189 HydrophobicContact SD-CB 4.45Å; M182-V189 HydrophobicContact SD-CG2 3.93Å; V187-V189 HydrophobicContact CG1-CG2 4.35Å; V189-G191 PolarHBondContact O-N 3.34Å; V189-F192 HydrophobicContact CB-CB 4.39Å; V189-F192 HydrophobicContact CB-CD2 3.64Å; V189-F192 HydrophobicContact CB-CE2 4.24Å; V189-F192 HydrophobicContact CB-CG 4.19Å; V189-F192 HydrophobicContact CG1-CD2 3.45Å; V189-F192 VanDerWaalsContact CG1-CD2 3.45Å; V189-F192 HydrophobicContact CG1-CE2 3.59Å; V189-F192 HydrophobicContact CG1-CG 4.42Å; V189-F192 PolarHBondContact O-N 2.82Å
190T91.1Very high96.3Very high148 Ų14854.5 Ų54.591%0.90830%0.304SS*.THydrogen-bonded Turntrans-52.8126.4-177.1-58.60000111
191G93.3Very high96.3Very high49 Ų4953.4 Ų53.451%0.50530%0.299SS..THydrogen-bonded Turntrans79.712.2-179.900000114.9V189 Q199 K203V189-G191 PolarHBondContact O-N 3.34Å; G191-Q199 PolarHBondContact O-OE1 2.99Å; G191-K203 VanDerWaalsContact O-CD 3.25Å; G191-K203 WeakPolarHBondContact O-CD 3.38Å; G191-K203 WeakPolarHBondContact O-CE 3.17Å; G191-K203 PolarHBondContact O-NZ 3.48Å
192F96.4Very high96.3Very high30 Ų3056.1 Ų56.113%0.13232%0.315CS..  trans-107.2125.4171.5-72.5-103.6000110.8F66 M182 V189 C200 K203F66-F192 AromaticContact CE2-CE1 3.76Å; F66-F192 HydrophobicContact CE2-CE1 3.76Å; F66-F192 AromaticContact CE2-CZ 3.56Å; F66-F192 HydrophobicContact CE2-CZ 3.56Å; F66-F192 HydrophobicContact CZ-CD1 4.44Å; F66-F192 AromaticContact CZ-CE1 3.59Å; F66-F192 HydrophobicContact CZ-CE1 3.59Å; F66-F192 AromaticContact CZ-CZ 3.82Å; F66-F192 HydrophobicContact CZ-CZ 3.82Å; M182-F192 HydrophobicContact CE-CB 4.26Å; M182-F192 HydrophobicContact CE-CD1 3.6Å; M182-F192 HydrophobicContact CE-CE1 4.29Å; M182-F192 HydrophobicContact CE-CG 4.17Å; M182-F192 HydrophobicContact SD-CD1 4.15Å; M182-F192 HydrophobicContact SD-CG 4.36Å; V189-F192 HydrophobicContact CB-CB 4.39Å; V189-F192 HydrophobicContact CB-CD2 3.64Å; V189-F192 HydrophobicContact CB-CE2 4.24Å; V189-F192 HydrophobicContact CB-CG 4.19Å; V189-F192 HydrophobicContact CG1-CD2 3.45Å; V189-F192 VanDerWaalsContact CG1-CD2 3.45Å; V189-F192 HydrophobicContact CG1-CE2 3.59Å; V189-F192 HydrophobicContact CG1-CG 4.42Å; V189-F192 PolarHBondContact O-N 2.82Å; F192-C200 HydrophobicContact CD1-CB 4.33Å; F192-K203 HydrophobicContact CD1-CB 4.09Å; F192-K203 HydrophobicContact CD1-CD 4.43Å; F192-K203 HydrophobicContact CE1-CB 3.36Å; F192-K203 HydrophobicContact CE1-CD 4.4Å; F192-K203 HydrophobicContact CE1-CG 4.48Å; F192-K203 HydrophobicContact CE2-CB 4.44Å; F192-K203 HydrophobicContact CZ-CB 3.56Å
193D97.4Very high96.4Very high69 Ų6959.5 Ų59.537%0.36933%0.33SS..  trans-86.1107.3168.3-175.5-3.4000110.3K195 D196 C200D193-K195 PolarHBondContact O-N 3.39Å; D193-K195 VanDerWaalsContact O-N 3.11Å; D193-K195 WeakPolarHBondContact OD1-CB 3.23Å; D193-K195 PolarHBondContact OD1-N 3.27Å; D193-D196 HydrophobicContact CB-CB 4.26Å; D193-D196 PolarHBondContact O-N 2.88Å; D193-C200 PolarHBondContact O-SG 3.03Å
194L96.8Very high96.4Very high39 Ų3958.2 Ų58.220%0.20432%0.323CS..THydrogen-bonded Turntrans-68.6-6.6-177.9-58-174.7000113.9M182 I183 T188M182-L194 HydrophobicContact CE-CD2 3.99Å; M182-L194 HydrophobicContact CG-CD2 3.95Å; M182-L194 HydrophobicContact SD-CD2 4.36Å; I183-L194 HydrophobicContact CG1-CB 4.48Å; I183-L194 HydrophobicContact CG1-CD2 4.33Å; I183-L194 VanDerWaalsContact CG2-O 3.27Å; I183-L194 WeakPolarHBondContact CG2-O 3.4Å; T188-L194 HydrophobicContact CG2-CD1 4.33Å
195K97.1Very high96.5Very high195 Ų19555 Ų5585%0.84830%0.301SS*.THydrogen-bonded Turntrans-89.2-12.2172.4-60.6-179.3-177.4179.50112.7D193D193-K195 PolarHBondContact O-N 3.39Å; D193-K195 VanDerWaalsContact O-N 3.11Å; D193-K195 WeakPolarHBondContact OD1-CB 3.23Å; D193-K195 PolarHBondContact OD1-N 3.27Å
196D98Very high96.7Very high59 Ų5954.9 Ų54.932%0.31631%0.314SS..  trans-11899.5-172.9-174.5-13.7000111.4D193 R198 Q199 C200D193-D196 HydrophobicContact CB-CB 4.26Å; D193-D196 PolarHBondContact O-N 2.88Å; D196-R198 VanDerWaalsContact C-N 3.3Å; D196-R198 PolarHBondContact O-N 3.44Å; D196-R198 WeakPolarHBondContact OD1-CA 3.42Å; D196-R198 VanDerWaalsContact OD1-CB 3.31Å; D196-R198 WeakPolarHBondContact OD1-CB 3.4Å; D196-R198 PolarHBondContact OD1-N 2.89Å; D196-Q199 HydrophobicContact CB-CB 3.95Å; D196-Q199 VanDerWaalsContact CG-CB 3.45Å; D196-Q199 PolarHBondContact OD1-N 3.36Å; D196-Q199 VanDerWaalsContact OD2-CB 3.29Å; D196-Q199 WeakPolarHBondContact OD2-CB 2.67Å; D196-C200 WeakPolarHBondContact O-CB 3.27Å; D196-C200 PolarHBondContact O-N 3.15Å; D196-C200 PolarHBondContact O-SG 2.87Å
197Y98.5Very high96.8Very high31 Ų3153.7 Ų53.712%0.12230%0.299CS..Hα-helixtrans-60.4-38.6174.6-87.9-87.3000112.6V179 H180 I183 C200 L201 I293 P294V179-Y197 HydrophobicContact CG1-CD1 3.93Å; V179-Y197 HydrophobicContact CG1-CE1 4.3Å; H180-Y197 HydrophobicContact CB-CE1 4.21Å; H180-Y197 AromaticContact ND1-CZ 3.89Å; H180-Y197 PolarHBondContact ND1-OH 3.02Å; I183-Y197 HydrophobicContact CD1-CD1 3.7Å; I183-Y197 HydrophobicContact CD1-CD2 3.93Å; I183-Y197 HydrophobicContact CD1-CE1 3.68Å; I183-Y197 HydrophobicContact CD1-CE2 3.91Å; I183-Y197 HydrophobicContact CD1-CG 3.82Å; I183-Y197 HydrophobicContact CG2-CE2 4.32Å; Y197-C200 PolarHBondContact O-N 2.81Å; Y197-L201 WeakPolarHBondContact O-CB 3.41Å; Y197-L201 WeakPolarHBondContact O-CG 3.43Å; Y197-L201 PolarHBondContact O-N 3.21Å; Y197-I293 HydrophobicContact CD1-CB 4.45Å; Y197-I293 HydrophobicContact CD1-CG1 3.92Å; Y197-I293 HydrophobicContact CD1-CG2 4.25Å; Y197-I293 HydrophobicContact CE1-CG1 3.86Å; Y197-I293 HydrophobicContact CG-CG2 4.41Å; Y197-P294 HydrophobicContact CD2-CG 4.23Å
198R98.6Very high97Very high64 Ų6452.8 Ų52.824%0.24229%0.294CS..Hα-helixtrans-65.1-50.3-177.8-172.8177.8-69.7-912.1109.7D196 C200 L201 T202 D296 V297 D300 V304D196-R198 VanDerWaalsContact C-N 3.3Å; D196-R198 PolarHBondContact O-N 3.44Å; D196-R198 WeakPolarHBondContact OD1-CA 3.42Å; D196-R198 VanDerWaalsContact OD1-CB 3.31Å; D196-R198 WeakPolarHBondContact OD1-CB 3.4Å; D196-R198 PolarHBondContact OD1-N 2.89Å; R198-C200 VanDerWaalsContact C-N 3.34Å; R198-C200 PolarHBondContact O-N 3.29Å; R198-L201 PolarHBondContact O-N 2.89Å; R198-T202 WeakPolarHBondContact O-CB 3.03Å; R198-T202 PolarHBondContact O-N 3.43Å; R198-T202 PolarHBondContact O-OG1 3.28Å; R198-D296 IonicContact CZ-OD2 2.66Å; R198-D296 IonicContact NE-OD2 3.12Å; R198-D296 VanDerWaalsContact NH2-C 3.34Å; R198-D296 PolarHBondContact NH2-O 3.42Å; R198-D296 VanDerWaalsContact NH2-O 3.07Å; R198-D296 IonicContact NH2-OD2 2.72Å; R198-D296 PolarHBondContact NH2-OD2 3.24Å; R198-V297 HydrophobicContact CB-CG1 4.44Å; R198-V297 HydrophobicContact CB-CG2 3.88Å; R198-D300 IonicContact CZ-OD2 3.57Å; R198-D300 IonicContact NH1-OD2 2.63Å; R198-D300 PolarHBondContact NH1-OD2 3.48Å; R198-D300 IonicContact NH2-OD2 3.38Å; R198-D300 PolarHBondContact NH2-OD2 3.23Å; R198-V304 HydrophobicContact CG-CG1 4.16Å; R198-V304 HydrophobicContact CG-CG2 3.99Å
199Q98.5Very high97.3Very high56 Ų5648 Ų4826%0.26227%0.266SS..Hα-helixtrans-59.8-45.3176-172.2-160.710800111.4G191 D196 L201 T202 K203G191-Q199 PolarHBondContact O-OE1 2.99Å; D196-Q199 HydrophobicContact CB-CB 3.95Å; D196-Q199 VanDerWaalsContact CG-CB 3.45Å; D196-Q199 PolarHBondContact OD1-N 3.36Å; D196-Q199 VanDerWaalsContact OD2-CB 3.29Å; D196-Q199 WeakPolarHBondContact OD2-CB 2.67Å; Q199-L201 PolarHBondContact O-N 2.89Å; Q199-T202 PolarHBondContact O-N 3.05Å; Q199-K203 VanDerWaalsContact CD-NZ 3.27Å; Q199-K203 HydrophobicContact CG-CD 4.07Å; Q199-K203 WeakPolarHBondContact O-CB 3.39Å; Q199-K203 WeakPolarHBondContact O-CG 3.39Å; Q199-K203 PolarHBondContact O-N 3.32Å
200C98.7Very high97.6Very high0 Ų049.7 Ų49.70%027%0.273CS..Hα-helixtrans-62.1-42.2180-74.60000112.6V179 M182 I183 F192 D193 D196 Y197 R198 K203 W204V179-C200 HydrophobicContact CB-CB 4.44Å; V179-C200 HydrophobicContact CG1-CB 3.42Å; V179-C200 VanDerWaalsContact CG1-CB 3.42Å; V179-C200 HydrophobicContact CG2-CB 4.15Å; M182-C200 HydrophobicContact CE-CB 3.91Å; M182-C200 VanDerWaalsContact CE-SG 3.53Å; I183-C200 HydrophobicContact CD1-CB 4.38Å; F192-C200 HydrophobicContact CD1-CB 4.33Å; D193-C200 PolarHBondContact O-SG 3.03Å; D196-C200 WeakPolarHBondContact O-CB 3.27Å; D196-C200 PolarHBondContact O-N 3.15Å; D196-C200 PolarHBondContact O-SG 2.87Å; Y197-C200 PolarHBondContact O-N 2.81Å; R198-C200 VanDerWaalsContact C-N 3.34Å; R198-C200 PolarHBondContact O-N 3.29Å; C200-K203 PolarHBondContact O-N 3.25Å; C200-W204 VanDerWaalsContact O-CB 3.3Å; C200-W204 WeakPolarHBondContact O-CB 3.22Å; C200-W204 PolarHBondContact O-N 2.88Å
201L98.7Very high98Very high0 Ų042.7 Ų42.70%023%0.23CC..Hα-helixtrans-68.7-41.3177.4-78.4163.5000112.3R176 V179 Y197 R198 Q199 K203 W204 S205 V297 M301 V304 A305R176-L201 HydrophobicContact CG-CD2 4.38Å; V179-L201 HydrophobicContact CB-CD2 4.16Å; V179-L201 HydrophobicContact CB-CG 4.32Å; V179-L201 HydrophobicContact CG1-CG 4.24Å; V179-L201 HydrophobicContact CG2-CD2 3.93Å; V179-L201 HydrophobicContact CG2-CG 4.15Å; Y197-L201 WeakPolarHBondContact O-CB 3.41Å; Y197-L201 WeakPolarHBondContact O-CG 3.43Å; Y197-L201 PolarHBondContact O-N 3.21Å; R198-L201 PolarHBondContact O-N 2.89Å; Q199-L201 PolarHBondContact O-N 2.89Å; L201-K203 VanDerWaalsContact C-N 3.34Å; L201-K203 PolarHBondContact O-N 2.94Å; L201-W204 WeakPolarHBondContact O-CB 3.32Å; L201-W204 PolarHBondContact O-N 2.03Å; L201-S205 WeakPolarHBondContact O-CB 3.49Å; L201-S205 PolarHBondContact O-N 2.82Å; L201-V297 HydrophobicContact CD1-CG1 3.64Å; L201-M301 HydrophobicContact CD1-CE 3.83Å; L201-M301 HydrophobicContact CD1-SD 3.85Å; L201-M301 HydrophobicContact CD2-SD 4.31Å; L201-V304 HydrophobicContact CB-CG1 3.59Å; L201-A305 HydrophobicContact CB-CB 4.35Å; L201-A305 HydrophobicContact CD2-CB 4.47Å
202T98.7Very high98.2Very high68 Ų6843.2 Ų43.242%0.41722%0.217SC..Hα-helixtrans-58.9-46.8173.1-59.90000111.1R198 Q199 S205 A206 V304R198-T202 WeakPolarHBondContact O-CB 3.03Å; R198-T202 PolarHBondContact O-N 3.43Å; R198-T202 PolarHBondContact O-OG1 3.28Å; Q199-T202 PolarHBondContact O-N 3.05Å; T202-S205 PolarHBondContact O-N 2.65Å; T202-A206 PolarHBondContact O-N 3.42Å; T202-V304 WeakPolarHBondContact CA-O 3.45Å
203K98.5Very high98.3Very high72 Ų7248.7 Ų48.731%0.31324%0.237SC..Hα-helixtrans-70.9-33.2179.3-72.1-178.4-179167.70112.8G191 F192 Q199 C200 L201 T207G191-K203 VanDerWaalsContact O-CD 3.25Å; G191-K203 WeakPolarHBondContact O-CD 3.38Å; G191-K203 WeakPolarHBondContact O-CE 3.17Å; G191-K203 PolarHBondContact O-NZ 3.48Å; F192-K203 HydrophobicContact CD1-CB 4.09Å; F192-K203 HydrophobicContact CD1-CD 4.43Å; F192-K203 HydrophobicContact CE1-CB 3.36Å; F192-K203 HydrophobicContact CE1-CD 4.4Å; F192-K203 HydrophobicContact CE1-CG 4.48Å; F192-K203 HydrophobicContact CE2-CB 4.44Å; F192-K203 HydrophobicContact CZ-CB 3.56Å; Q199-K203 VanDerWaalsContact CD-NZ 3.27Å; Q199-K203 HydrophobicContact CG-CD 4.07Å; Q199-K203 WeakPolarHBondContact O-CB 3.39Å; Q199-K203 WeakPolarHBondContact O-CG 3.39Å; Q199-K203 PolarHBondContact O-N 3.32Å; C200-K203 PolarHBondContact O-N 3.25Å; L201-K203 VanDerWaalsContact C-N 3.34Å; L201-K203 PolarHBondContact O-N 2.94Å; K203-T207 WeakPolarHBondContact O-CB 3.44Å; K203-T207 PolarHBondContact O-N 2.97Å; K203-T207 PolarHBondContact O-OG1 2.87Å
204W98.6Very high98.4Very high3 Ų347.2 Ų47.21%0.01123%0.228CC..Hα-helixtrans-57.5-53.1168.8168.989.6000110.1F66 G175 V179 C200 L201 A206 T207 V208 A305 M307 L308 L311F66-W204 AromaticContact CD1-CD1 3.5Å; F66-W204 HydrophobicContact CD2-CB 4.39Å; F66-W204 AromaticContact CD2-CD1 3.77Å; F66-W204 HydrophobicContact CD2-CG 4.4Å; F66-W204 AromaticContact CE1-CD1 3.86Å; F66-W204 HydrophobicContact CE2-CB 3.98Å; F66-W204 HydrophobicContact CE2-CG 4.43Å; F66-W204 AromaticContact CG-CD1 3.48Å; F66-W204 VanDerWaalsContact CG-CD1 3.48Å; F66-W204 HydrophobicContact CG-CG 4.47Å; F66-W204 HydrophobicContact CZ-CB 4.07Å; G175-W204 VanDerWaalsContact CA-CD2 3.46Å; G175-W204 VanDerWaalsContact N-CZ2 3.35Å; V179-W204 HydrophobicContact CG2-CB 3.84Å; V179-W204 HydrophobicContact CG2-CG 4.27Å; C200-W204 VanDerWaalsContact O-CB 3.3Å; C200-W204 WeakPolarHBondContact O-CB 3.22Å; C200-W204 PolarHBondContact O-N 2.88Å; L201-W204 WeakPolarHBondContact O-CB 3.32Å; L201-W204 PolarHBondContact O-N 2.03Å; W204-A206 PolarHBondContact O-N 3.38Å; W204-T207 PolarHBondContact O-N 3.07Å; W204-V208 HydrophobicContact CD2-CG2 4.25Å; W204-V208 HydrophobicContact CG-CG2 4.33Å; W204-V208 HydrophobicContact CZ2-CG1 4.43Å; W204-V208 HydrophobicContact CZ2-CG2 4.19Å; W204-V208 WeakPolarHBondContact O-CB 3.23Å; W204-V208 WeakPolarHBondContact O-CG2 3.33Å; W204-V208 PolarHBondContact O-N 3.4Å; W204-A305 HydrophobicContact CE3-CB 4.07Å; W204-A305 HydrophobicContact CZ3-CB 4Å; W204-M307 HydrophobicContact CH2-CB 3.96Å; W204-M307 HydrophobicContact CZ3-CB 3.82Å; W204-L308 HydrophobicContact CH2-CD2 3.74Å; W204-L308 HydrophobicContact CH2-CG 3.97Å; W204-L308 HydrophobicContact CZ3-CD2 4.06Å; W204-L308 HydrophobicContact CZ3-CG 3.84Å; W204-L311 HydrophobicContact CH2-CD1 4.26Å; W204-L311 HydrophobicContact CZ2-CD1 4.36Å
205S98.7Very high98.4Very high7 Ų745.5 Ų45.55%0.04922%0.219CC..Hα-helixtrans-59-47.7-178.4-172.10000111.5L201 T202 T207 A209 P306 M307L201-S205 WeakPolarHBondContact O-CB 3.49Å; L201-S205 PolarHBondContact O-N 2.82Å; T202-S205 PolarHBondContact O-N 2.65Å; S205-T207 PolarHBondContact O-N 2.87Å; S205-A209 VanDerWaalsContact O-CB 3.27Å; S205-A209 WeakPolarHBondContact O-CB 3.44Å; S205-A209 PolarHBondContact O-N 3.18Å; S205-P306 WeakPolarHBondContact OG-CD 3.02Å; S205-M307 VanDerWaalsContact O-CG 3.25Å; S205-M307 WeakPolarHBondContact O-CG 3.28Å; S205-M307 WeakPolarHBondContact OG-CB 3.48Å; S205-M307 WeakPolarHBondContact OG-CG 3.28Å; S205-M307 PolarHBondContact OG-N 2.9Å
206A98.5Very high98.5Very high64 Ų6441.2 Ų41.253%0.52920%0.202SC..Hα-helixtrans-62.5-41.617700000113.1T202 W204 Q210T202-A206 PolarHBondContact O-N 3.42Å; W204-A206 PolarHBondContact O-N 3.38Å; A206-Q210 PolarHBondContact O-N 3.11Å; A206-Q210 VanDerWaalsContact O-N 3.13Å
207T98.2Very high98.5Very high13 Ų1344.6 Ų44.68%0.0822%0.22CC..Hα-helixtrans-67.8-45.6-179.8-63.40000111.7F66 F151 K203 W204 S205 Q210 M211F66-T207 HydrophobicContact CD2-CG2 3.94Å; F151-T207 HydrophobicContact CE1-CG2 4.21Å; K203-T207 WeakPolarHBondContact O-CB 3.44Å; K203-T207 PolarHBondContact O-N 2.97Å; K203-T207 PolarHBondContact O-OG1 2.87Å; W204-T207 PolarHBondContact O-N 3.07Å; S205-T207 PolarHBondContact O-N 2.87Å; T207-Q210 WeakPolarHBondContact O-CB 3.28Å; T207-Q210 PolarHBondContact O-N 3.02Å; T207-M211 HydrophobicContact CG2-CE 3.77Å; T207-M211 HydrophobicContact CG2-SD 4.03Å; T207-M211 WeakPolarHBondContact O-CG 3.41Å; T207-M211 PolarHBondContact O-N 2.95Å
208V98.5Very high98.5Very high5 Ų544.1 Ų44.13%0.0322%0.222CC..Hα-helixtrans-67.1-38.3179.1170.90000110.7F66 F170 W204 Q210 M211 Y212 M307 L311F66-V208 HydrophobicContact CB-CG2 3.93Å; F66-V208 HydrophobicContact CD2-CG2 4.49Å; F66-V208 HydrophobicContact CG-CG2 4.49Å; F170-V208 HydrophobicContact CZ-CG1 4.08Å; W204-V208 HydrophobicContact CD2-CG2 4.25Å; W204-V208 HydrophobicContact CG-CG2 4.33Å; W204-V208 HydrophobicContact CZ2-CG1 4.43Å; W204-V208 HydrophobicContact CZ2-CG2 4.19Å; W204-V208 WeakPolarHBondContact O-CB 3.23Å; W204-V208 WeakPolarHBondContact O-CG2 3.33Å; W204-V208 PolarHBondContact O-N 3.4Å; V208-Q210 VanDerWaalsContact C-N 3.31Å; V208-Q210 PolarHBondContact O-N 3.2Å; V208-M211 PolarHBondContact O-N 3.49Å; V208-Y212 VanDerWaalsContact O-CB 3.29Å; V208-Y212 WeakPolarHBondContact O-CB 3.48Å; V208-Y212 PolarHBondContact O-N 2.78Å; V208-M307 HydrophobicContact CG1-CE 4.08Å; V208-L311 HydrophobicContact CG1-CD1 3.62Å
209A98.7Very high98.4Very high18 Ų1842.5 Ų42.515%0.14923%0.225CC..Hα-helixtrans-59.3-41.1172.300000112.3S205 R213 M307S205-A209 VanDerWaalsContact O-CB 3.27Å; S205-A209 WeakPolarHBondContact O-CB 3.44Å; S205-A209 PolarHBondContact O-N 3.18Å; A209-R213 WeakPolarHBondContact O-CG 3.43Å; A209-R213 PolarHBondContact O-N 3.23Å; A209-R213 VanDerWaalsContact O-N 3.1Å; A209-R213 PolarHBondContact O-NH1 3.06Å; A209-M307 HydrophobicContact CB-CE 4.31Å; A209-M307 HydrophobicContact CB-CG 3.87Å; A209-M307 HydrophobicContact CB-SD 3.69Å
210Q98.3Very high98.3Very high54 Ų5442.9 Ų42.925%0.25224%0.244SC..Hα-helixtrans-63.6-50.5174.9-176.6-169.3-9.800111.5K154 A206 T207 V208 Y212 R213 E214K154-Q210 PolarHBondContact O-NE2 3.47Å; A206-Q210 PolarHBondContact O-N 3.11Å; A206-Q210 VanDerWaalsContact O-N 3.13Å; T207-Q210 WeakPolarHBondContact O-CB 3.28Å; T207-Q210 PolarHBondContact O-N 3.02Å; V208-Q210 VanDerWaalsContact C-N 3.31Å; V208-Q210 PolarHBondContact O-N 3.2Å; Q210-Y212 VanDerWaalsContact C-N 3.29Å; Q210-Y212 PolarHBondContact O-N 3.32Å; Q210-R213 PolarHBondContact O-N 3.37Å; Q210-E214 WeakPolarHBondContact O-CG 3.19Å; Q210-E214 PolarHBondContact O-N 2.97Å
211M98.5Very high98.3Very high0 Ų049.7 Ų49.70%028%0.28CS..Hα-helixtrans-62.1-37.9-179.8-68.7171.2169.200112G65 F151 L153 K154 F170 T207 V208 E214 C215G65-M211 WeakPolarHBondContact O-CE 3.36Å; F151-M211 HydrophobicContact CD1-CE 3.66Å; F151-M211 HydrophobicContact CE1-CE 4.18Å; L153-M211 HydrophobicContact CB-CB 4.24Å; L153-M211 HydrophobicContact CB-CE 4.49Å; L153-M211 HydrophobicContact CB-CG 3.94Å; L153-M211 HydrophobicContact CB-SD 4.31Å; K154-M211 HydrophobicContact CG-CE 3.89Å; K154-M211 HydrophobicContact CG-CG 4.22Å; F170-M211 HydrophobicContact CD2-CB 4.3Å; F170-M211 HydrophobicContact CE1-CB 4.39Å; F170-M211 HydrophobicContact CE2-CB 3.63Å; F170-M211 HydrophobicContact CE2-CG 4.45Å; F170-M211 HydrophobicContact CE2-SD 4.06Å; F170-M211 HydrophobicContact CZ-CB 3.67Å; T207-M211 HydrophobicContact CG2-CE 3.77Å; T207-M211 HydrophobicContact CG2-SD 4.03Å; T207-M211 WeakPolarHBondContact O-CG 3.41Å; T207-M211 PolarHBondContact O-N 2.95Å; V208-M211 PolarHBondContact O-N 3.49Å; M211-E214 PolarHBondContact O-N 3.02Å; M211-C215 WeakPolarHBondContact O-CB 3.19Å; M211-C215 PolarHBondContact O-N 2.97Å
212Y98.5Very high98.2Very high60 Ų6052.4 Ų52.424%0.23529%0.291CS..Hα-helixtrans-61.6-47.2174.8-173.1-87.5000111F170 V208 Q210 E214 C215 Q216 F310 L311F170-Y212 HydrophobicContact CE1-CD2 4.09Å; V208-Y212 VanDerWaalsContact O-CB 3.29Å; V208-Y212 WeakPolarHBondContact O-CB 3.48Å; V208-Y212 PolarHBondContact O-N 2.78Å; Q210-Y212 VanDerWaalsContact C-N 3.29Å; Q210-Y212 PolarHBondContact O-N 3.32Å; Y212-E214 PolarHBondContact O-N 2.99Å; Y212-C215 WeakPolarHBondContact O-CB 3.48Å; Y212-C215 PolarHBondContact O-N 2.9Å; Y212-Q216 HydrophobicContact CD1-CG 3.76Å; Y212-Q216 HydrophobicContact CE1-CG 3.39Å; Y212-Q216 VanDerWaalsContact O-CG 3.29Å; Y212-Q216 WeakPolarHBondContact O-CG 3.46Å; Y212-Q216 PolarHBondContact O-N 3.21Å; Y212-Q216 PolarHBondContact OH-NE2 3.25Å; Y212-F310 AromaticContact CD1-CE1 3.79Å; Y212-F310 HydrophobicContact CD1-CE1 3.79Å; Y212-F310 HydrophobicContact CD1-CZ 4.14Å; Y212-F310 HydrophobicContact CD2-CE1 4.21Å; Y212-F310 AromaticContact CE1-CE1 3.51Å; Y212-F310 HydrophobicContact CE1-CE1 3.51Å; Y212-F310 AromaticContact CE1-CZ 3.6Å; Y212-F310 HydrophobicContact CE1-CZ 3.6Å; Y212-F310 AromaticContact CE2-CE1 3.96Å; Y212-F310 HydrophobicContact CE2-CE1 3.96Å; Y212-F310 HydrophobicContact CG-CE1 4.14Å; Y212-F310 AromaticContact CZ-CE1 3.61Å; Y212-F310 AromaticContact CZ-CZ 3.94Å; Y212-L311 HydrophobicContact CD2-CD2 4.02Å; Y212-L311 HydrophobicContact CE2-CD2 4.25Å
213R98.5Very high98.2Very high146 Ų14649.4 Ų49.455%0.55127%0.272SS*.Hα-helixtrans-60.1-45.3176-73.3-169.9-58.1-883.5112.5A209 Q210 C215 Q216 L217A209-R213 WeakPolarHBondContact O-CG 3.43Å; A209-R213 PolarHBondContact O-N 3.23Å; A209-R213 VanDerWaalsContact O-N 3.1Å; A209-R213 PolarHBondContact O-NH1 3.06Å; Q210-R213 PolarHBondContact O-N 3.37Å; R213-C215 VanDerWaalsContact C-N 3.31Å; R213-C215 PolarHBondContact O-N 3.33Å; R213-Q216 PolarHBondContact O-N 2.91Å; R213-L217 VanDerWaalsContact O-CG 3.31Å; R213-L217 WeakPolarHBondContact O-CG 3.29Å; R213-L217 PolarHBondContact O-N 3.18Å
214E98.6Very high98.3Very high37 Ų3747.8 Ų47.817%0.17327%0.266CS..Hα-helixtrans-58.8-42.8175.8-75.4-71.7169.400111.9L153 V156 S157 Q210 M211 Y212 L217 A218L153-E214 WeakPolarHBondContact O-CB 3.49Å; V156-E214 HydrophobicContact CB-CB 3.88Å; V156-E214 HydrophobicContact CG2-CB 3.82Å; V156-E214 PolarHBondContact N-OE2 3.27Å; S157-E214 VanDerWaalsContact CB-OE2 3.28Å; S157-E214 WeakPolarHBondContact CB-OE2 3.49Å; S157-E214 PolarHBondContact N-OE2 3.46Å; S157-E214 PolarHBondContact OG-OE2 3.01Å; Q210-E214 WeakPolarHBondContact O-CG 3.19Å; Q210-E214 PolarHBondContact O-N 2.97Å; M211-E214 PolarHBondContact O-N 3.02Å; Y212-E214 PolarHBondContact O-N 2.99Å; E214-L217 PolarHBondContact O-N 3.21Å; E214-A218 PolarHBondContact O-N 3.28Å
215C98.4Very high98.3Very high3 Ų349.9 Ų49.92%0.0228%0.28CS..Hα-helixtrans-64.4-42.9175.5-172.60000112.2F170 M211 Y212 R213 A218 G219 C223F170-C215 HydrophobicContact CD1-CB 4.21Å; M211-C215 WeakPolarHBondContact O-CB 3.19Å; M211-C215 PolarHBondContact O-N 2.97Å; Y212-C215 WeakPolarHBondContact O-CB 3.48Å; Y212-C215 PolarHBondContact O-N 2.9Å; R213-C215 VanDerWaalsContact C-N 3.31Å; R213-C215 PolarHBondContact O-N 3.33Å; C215-A218 PolarHBondContact O-N 3.18Å; C215-G219 PolarHBondContact O-N 2.96Å; C215-C223 WeakPolarHBondContact CA-SG 3.14Å; C215-C223 HydrophobicContact CB-CB 4Å; C215-C223 WeakPolarHBondContact CB-SG 3.4Å; C215-C223 WeakPolarHBondContact O-CB 3.39Å; C215-C223 WeakPolarHBondContact SG-CB 3.46Å; C215-C223 CovalentContact SG-SG 2.03Å; C215-C223 PolarHBondContact SG-SG 3.02Å
216Q98.2Very high98.3Very high106 Ų10649.9 Ų49.950%0.49528%0.279SS..Hα-helixtrans-63.3-41.3176.1-70.3-64.1-56.500112.2Y212 R213 A218 G219Y212-Q216 HydrophobicContact CD1-CG 3.76Å; Y212-Q216 HydrophobicContact CE1-CG 3.39Å; Y212-Q216 VanDerWaalsContact O-CG 3.29Å; Y212-Q216 WeakPolarHBondContact O-CG 3.46Å; Y212-Q216 PolarHBondContact O-N 3.21Å; Y212-Q216 PolarHBondContact OH-NE2 3.25Å; R213-Q216 PolarHBondContact O-N 2.91Å; Q216-A218 PolarHBondContact O-N 3.33Å; Q216-G219 PolarHBondContact O-N 3.29Å
217L98.2Very high98.3Very high130 Ų13050.4 Ų50.468%0.68127%0.268SS*.Hα-helixtrans-63-29.4177.4-73.3171.2000112.9R213 E214 G219R213-L217 VanDerWaalsContact O-CG 3.31Å; R213-L217 WeakPolarHBondContact O-CG 3.29Å; R213-L217 PolarHBondContact O-N 3.18Å; E214-L217 PolarHBondContact O-N 3.21Å; L217-G219 VanDerWaalsContact C-N 3.31Å
218A97.8Very high98.3Very high20 Ų2050.4 Ų50.417%0.16527%0.266CS..Hα-helixtrans-73.5-23.4174.500000113.4V156 E214 C215 Q216 R222 C223V156-A218 HydrophobicContact CG1-CB 3.57Å; E214-A218 PolarHBondContact O-N 3.28Å; C215-A218 PolarHBondContact O-N 3.18Å; Q216-A218 PolarHBondContact O-N 3.33Å; A218-R222 HydrophobicContact CB-CB 4.13Å; A218-R222 WeakPolarHBondContact O-CB 3.45Å; A218-C223 HydrophobicContact CB-CB 4.07Å
219G97.5Very high98.3Very high31 Ų3150.3 Ų50.332%0.3227%0.265SS..  trans82.6159.6-17700000113.9C215 Q216 L217 D221 R222 C223C215-G219 PolarHBondContact O-N 2.96Å; Q216-G219 PolarHBondContact O-N 3.29Å; L217-G219 VanDerWaalsContact C-N 3.31Å; G219-D221 PolarHBondContact O-N 3.34Å; G219-R222 PolarHBondContact O-N 3.28Å; G219-C223 PolarHBondContact O-N 3.45Å
220G96.8Very high98.3Very high63 Ų6353.1 Ų53.165%0.64928%0.275SS*.THydrogen-bonded Turntrans-62.5-24.2-175.900000114.5R222 F245G220-R222 VanDerWaalsContact C-N 3.26Å; G220-R222 PolarHBondContact O-N 3.24Å; G220-F245 WeakPolarHBondContact O-CE2 3.31Å
221D97.6Very high98.3Very high144 Ų14450.5 Ų50.577%0.7726%0.263SS*.THydrogen-bonded Turntrans-75-18.3176.3-61-27.7000112.8K167 G219K167-D221 WeakPolarHBondContact CE-O 3.15Å; G219-D221 PolarHBondContact O-N 3.34Å
222R98Very high98.3Very high56 Ų5650.6 Ų50.621%0.21126%0.264CS..THydrogen-bonded Turntrans-118.6-22.9-176-60.6-164.266.8178.1-0.8114.2A160 F163 P164 S166 K167 F168 A218 G219 G220A160-R222 PolarHBondContact O-NH1 2.88Å; A160-R222 PolarHBondContact O-NH2 3.13Å; F163-R222 PolarHBondContact O-NH2 3.2Å; P164-R222 PolarHBondContact O-NH1 3.01Å; P164-R222 PolarHBondContact O-NH2 3.04Å; P164-R222 VanDerWaalsContact O-NH2 3.1Å; S166-R222 PolarHBondContact O-NE 3.36Å; S166-R222 PolarHBondContact O-NH2 2.76Å; S166-R222 PolarHBondContact OG-NH2 3.21Å; K167-R222 CarbonylContact C-O 3.56Å; K167-R222 WeakPolarHBondContact CA-O 3.33Å; F168-R222 WeakPolarHBondContact CD2-O 3.06Å; F168-R222 PolarHBondContact N-O 3.4Å; A218-R222 HydrophobicContact CB-CB 4.13Å; A218-R222 WeakPolarHBondContact O-CB 3.45Å; G219-R222 PolarHBondContact O-N 3.28Å; G220-R222 VanDerWaalsContact C-N 3.26Å; G220-R222 PolarHBondContact O-N 3.24Å
223C98.8Very high98.3Very high5 Ų548 Ų483%0.03425%0.254CS..EExtended strand (participates in β ladder)trans-128.9126.6178-168.70000112.6F168 C215 A218 G219F168-C223 HydrophobicContact CB-CB 4.14Å; F168-C223 WeakPolarHBondContact O-CA 3.17Å; C215-C223 WeakPolarHBondContact CA-SG 3.14Å; C215-C223 HydrophobicContact CB-CB 4Å; C215-C223 WeakPolarHBondContact CB-SG 3.4Å; C215-C223 WeakPolarHBondContact O-CB 3.39Å; C215-C223 WeakPolarHBondContact SG-CB 3.46Å; C215-C223 CovalentContact SG-SG 2.03Å; C215-C223 PolarHBondContact SG-SG 3.02Å; A218-C223 HydrophobicContact CB-CB 4.07Å; G219-C223 PolarHBondContact O-N 3.45Å
224F98.7Very high98.3Very high39 Ų3942.7 Ų42.717%0.17124%0.235CC..EExtended strand (participates in β ladder)trans-112.3108.7-178.8-172.5-88.5000110.9F168 V169 F170 L226 E241 L242 F245F168-F224 PolarHBondContact O-N 3.08Å; V169-F224 WeakPolarHBondContact CA-O 3.48Å; F170-F224 PolarHBondContact N-O 3.09Å; F224-L226 HydrophobicContact CD1-CB 4.05Å; F224-L226 HydrophobicContact CE1-CB 3.98Å; F224-L226 HydrophobicContact CE1-CD1 4.21Å; F224-L226 PolarHBondContact O-N 2.7Å; F224-E241 HydrophobicContact CE2-CB 4.48Å; F224-E241 HydrophobicContact CZ-CB 4.05Å; F224-L242 HydrophobicContact CD1-CD1 3.94Å; F224-L242 HydrophobicContact CE1-CB 4.43Å; F224-L242 HydrophobicContact CE1-CD1 4.41Å; F224-L242 HydrophobicContact CG-CD1 4.34Å; F224-F245 HydrophobicContact CB-CD1 3.5Å; F224-F245 HydrophobicContact CB-CD2 4.09Å; F224-F245 HydrophobicContact CB-CE1 3.45Å; F224-F245 VanDerWaalsContact CB-CE1 3.45Å; F224-F245 HydrophobicContact CB-CE2 4.04Å; F224-F245 HydrophobicContact CB-CG 3.83Å; F224-F245 HydrophobicContact CB-CZ 3.74Å; F224-F245 HydrophobicContact CD2-CB 3.83Å; F224-F245 HydrophobicContact CD2-CD1 4.18Å; F224-F245 HydrophobicContact CD2-CD2 4.06Å; F224-F245 AromaticContact CD2-CG 3.74Å; F224-F245 HydrophobicContact CD2-CG 3.74Å; F224-F245 HydrophobicContact CE2-CB 4.29Å; F224-F245 HydrophobicContact CG-CB 4.43Å; F224-F245 HydrophobicContact CG-CD1 4Å; F224-F245 HydrophobicContact CG-CE1 4.43Å; F224-F245 HydrophobicContact CG-CG 4.04Å
225P98.6Very high98.3Very high47 Ų4740.9 Ų40.931%0.30523%0.227SC..EExtended strand (participates in β ladder)trans-70.9122.5170.6-13.929.1000110.8F170 I172F170-P225 WeakPolarHBondContact O-CA 3.43Å; I172-P225 HydrophobicContact CD1-CB 3.66Å
226L98.8Very high98.3Very high7 Ų744.2 Ų44.24%0.03724%0.242CC..EExtended strand (participates in β ladder)trans-122.6119.4178.2178.557.9000110.8L74 V169 F170 M171 I172 F224 L231 L242L74-L226 HydrophobicContact CD1-CD2 4.15Å; L74-L226 HydrophobicContact CD2-CD2 4.2Å; V169-L226 HydrophobicContact CG1-CB 4.22Å; F170-L226 PolarHBondContact O-N 3.08Å; M171-L226 WeakPolarHBondContact CA-O 3.49Å; M171-L226 HydrophobicContact CE-CD2 4.48Å; M171-L226 HydrophobicContact CE-CG 4.36Å; M171-L226 HydrophobicContact SD-CB 4Å; M171-L226 HydrophobicContact SD-CD2 3.8Å; M171-L226 HydrophobicContact SD-CG 3.98Å; I172-L226 PolarHBondContact N-O 2.98Å; F224-L226 HydrophobicContact CD1-CB 4.05Å; F224-L226 HydrophobicContact CE1-CB 3.98Å; F224-L226 HydrophobicContact CE1-CD1 4.21Å; F224-L226 PolarHBondContact O-N 2.7Å; L226-L231 HydrophobicContact CD1-CB 4.46Å; L226-L231 HydrophobicContact CD2-CD1 4.35Å; L226-L231 HydrophobicContact CD2-CD2 4.29Å; L226-L242 HydrophobicContact CD2-CD2 4.21Å
227Y98.8Very high98.3Very high74 Ų7444.4 Ų44.429%0.2924%0.243SC..EExtended strand (participates in β ladder)trans-79125.6177.6-74.5-109000110.3I172 E229 Q230 L231 L311 Y313I172-Y227 HydrophobicContact CB-CD1 4.39Å; I172-Y227 HydrophobicContact CB-CG 4.39Å; I172-Y227 HydrophobicContact CD1-CD2 4.42Å; I172-Y227 HydrophobicContact CD1-CE2 3.93Å; I172-Y227 HydrophobicContact CG2-CD1 3.88Å; I172-Y227 HydrophobicContact CG2-CE1 3.73Å; I172-Y227 HydrophobicContact CG2-CG 4.37Å; I172-Y227 CarbonylContact O-C 3.27Å; I172-Y227 WeakPolarHBondContact O-CA 3.12Å; Y227-E229 VanDerWaalsContact C-N 3.26Å; Y227-E229 PolarHBondContact O-N 3.45Å; Y227-Q230 PolarHBondContact O-N 3.4Å; Y227-Q230 VanDerWaalsContact O-N 3.17Å; Y227-L231 PolarHBondContact O-N 3.29Å; Y227-L311 HydrophobicContact CE1-CB 4.47Å; Y227-L311 VanDerWaalsContact CE1-O 3.27Å; Y227-L311 WeakPolarHBondContact CE1-O 3.49Å; Y227-L311 PolarHBondContact OH-O 3.49Å; Y227-Y313 HydrophobicContact CD1-CE2 4.42Å; Y227-Y313 AromaticContact CD1-CZ 3.89Å; Y227-Y313 WeakPolarHBondContact CD1-OH 3.42Å; Y227-Y313 AromaticContact CE1-CE2 4Å; Y227-Y313 HydrophobicContact CE1-CE2 4Å; Y227-Y313 AromaticContact CE1-CZ 3.92Å
228Y98.8Very high98.4Very high14 Ų1438.5 Ų38.56%0.05521%0.212CC..Hα-helixtrans-57.7-41.5178.3169.7-103.2000111.7S69 L73 I172 R173 Q230 L231 V232 S285 L286S69-Y228 WeakPolarHBondContact O-CB 3.38Å; L73-Y228 HydrophobicContact CD2-CE2 3.91Å; I172-Y228 WeakPolarHBondContact O-CB 3.37Å; I172-Y228 PolarHBondContact O-N 2.89Å; R173-Y228 HydrophobicContact CG-CD1 3.73Å; R173-Y228 HydrophobicContact CG-CG 4.06Å; R173-Y228 VanDerWaalsContact NE-CD1 3.32Å; Y228-Q230 VanDerWaalsContact C-N 3.34Å; Y228-Q230 PolarHBondContact O-N 3.19Å; Y228-L231 WeakPolarHBondContact O-CB 3.28Å; Y228-L231 PolarHBondContact O-N 3.05Å; Y228-V232 HydrophobicContact CD2-CG1 4.13Å; Y228-V232 HydrophobicContact CE1-CG1 4.38Å; Y228-V232 HydrophobicContact CE1-CG2 4.38Å; Y228-V232 HydrophobicContact CE2-CG1 3.57Å; Y228-V232 WeakPolarHBondContact O-CG2 3.29Å; Y228-V232 PolarHBondContact O-N 2.9Å; Y228-S285 PolarHBondContact OH-OG 3.06Å; Y228-L286 HydrophobicContact CD1-CD2 4.07Å; Y228-L286 HydrophobicContact CE1-CD2 3.79Å
229E98.6Very high98.4Very high2 Ų237.5 Ų37.51%0.00921%0.205CC..Hα-helixtrans-55.6-49.8176.6-6764.5-155.900110R173 D174 Y227 V232 L233 L286 Y313 Y322R173-E229 VanDerWaalsContact CG-OE1 3.29Å; R173-E229 WeakPolarHBondContact CG-OE1 3.42Å; D174-E229 PolarHBondContact N-OE1 3.23Å; Y227-E229 VanDerWaalsContact C-N 3.26Å; Y227-E229 PolarHBondContact O-N 3.45Å; E229-V232 WeakPolarHBondContact O-CG2 3.31Å; E229-V232 PolarHBondContact O-N 2.99Å; E229-L233 VanDerWaalsContact O-CB 3.29Å; E229-L233 WeakPolarHBondContact O-CB 3.32Å; E229-L233 WeakPolarHBondContact O-CD1 3.25Å; E229-L233 WeakPolarHBondContact O-CG 3.3Å; E229-L233 PolarHBondContact O-N 3.45Å; E229-L286 HydrophobicContact CB-CD2 4.4Å; E229-L286 HydrophobicContact CG-CD2 4Å; E229-Y313 HydrophobicContact CG-CE1 4.39Å; E229-Y313 PolarHBondContact OE2-OH 2.96Å; E229-Y313 VanDerWaalsContact OE2-OH 3.07Å; E229-Y322 HydrophobicContact CB-CD1 4.27Å; E229-Y322 HydrophobicContact CB-CG 4.34Å; E229-Y322 HydrophobicContact CG-CD1 3.48Å; E229-Y322 VanDerWaalsContact CG-CD1 3.48Å; E229-Y322 HydrophobicContact CG-CD2 4.31Å; E229-Y322 HydrophobicContact CG-CE1 3.74Å; E229-Y322 HydrophobicContact CG-CG 3.78Å
230Q98.6Very high98.5Very high77 Ų7740.8 Ų40.836%0.3621%0.207SC..Hα-helixtrans-67.4-39.4177.9-59-54.3-51.200111.7Y227 Y228 V232 L233 H234 S238Y227-Q230 PolarHBondContact O-N 3.4Å; Y227-Q230 VanDerWaalsContact O-N 3.17Å; Y228-Q230 VanDerWaalsContact C-N 3.34Å; Y228-Q230 PolarHBondContact O-N 3.19Å; Q230-V232 VanDerWaalsContact C-N 3.32Å; Q230-V232 PolarHBondContact O-N 3.08Å; Q230-L233 PolarHBondContact O-N 3.41Å; Q230-H234 CarbonylContact O-C 3.53Å; Q230-H234 WeakPolarHBondContact O-CA 3.39Å; Q230-H234 PolarHBondContact O-N 3.42Å; Q230-H234 PolarHBondContact OE1-CD2 2.91Å; Q230-S238 PolarHBondContact O-OG 3.25Å
231L98.7Very high98.6Very high0 Ų042.1 Ų42.10%020%0.197CC..Hα-helixtrans-59.9-38.9175.9179.562.6000112.7L73 L74 M77 M171 L226 Y227 Y228 P235 M239L73-L231 HydrophobicContact CD2-CD2 4.41Å; L74-L231 HydrophobicContact CB-CD2 4.2Å; L74-L231 HydrophobicContact CD1-CD2 4.48Å; M77-L231 HydrophobicContact CE-CD1 3.94Å; M77-L231 HydrophobicContact SD-CD1 3.96Å; M77-L231 HydrophobicContact SD-CD2 4.27Å; M77-L231 HydrophobicContact SD-CG 4.26Å; M171-L231 HydrophobicContact CE-CD2 4.02Å; L226-L231 HydrophobicContact CD1-CB 4.46Å; L226-L231 HydrophobicContact CD2-CD1 4.35Å; L226-L231 HydrophobicContact CD2-CD2 4.29Å; Y227-L231 PolarHBondContact O-N 3.29Å; Y228-L231 WeakPolarHBondContact O-CB 3.28Å; Y228-L231 PolarHBondContact O-N 3.05Å; L231-P235 VanDerWaalsContact O-CA 3.25Å; L231-P235 WeakPolarHBondContact O-CA 3.34Å; L231-P235 VanDerWaalsContact O-CB 3.3Å; L231-P235 WeakPolarHBondContact O-CB 3.41Å; L231-M239 HydrophobicContact CD1-CG 4.23Å; L231-M239 HydrophobicContact CD1-SD 3.93Å
232V98.3Very high98.6Very high1 Ų135.3 Ų35.31%0.00616%0.16CC..Hα-helixtrans-89.3-18.7-179.5-58.10000114L73 Y228 E229 Q230 T283 L286 V329L73-V232 HydrophobicContact CD2-CG1 3.73Å; Y228-V232 HydrophobicContact CD2-CG1 4.13Å; Y228-V232 HydrophobicContact CE1-CG1 4.38Å; Y228-V232 HydrophobicContact CE1-CG2 4.38Å; Y228-V232 HydrophobicContact CE2-CG1 3.57Å; Y228-V232 WeakPolarHBondContact O-CG2 3.29Å; Y228-V232 PolarHBondContact O-N 2.9Å; E229-V232 WeakPolarHBondContact O-CG2 3.31Å; E229-V232 PolarHBondContact O-N 2.99Å; Q230-V232 VanDerWaalsContact C-N 3.32Å; Q230-V232 PolarHBondContact O-N 3.08Å; V232-T283 HydrophobicContact CG2-CG2 4.39Å; V232-L286 HydrophobicContact CG2-CD1 4.17Å; V232-L286 HydrophobicContact CG2-CD2 3.81Å; V232-L286 HydrophobicContact CG2-CG 4.19Å; V232-V329 WeakPolarHBondContact O-CG1 3.24Å; V232-V329 WeakPolarHBondContact O-CG2 3.37Å
233L98.4Very high98.7Very high5 Ų532.7 Ų32.73%0.02615%0.15CC..Hα-helixtrans-87.3-42.9174.9-69.3167.7000111.8E229 Q230 T283 L286 Y322 A325 D326E229-L233 VanDerWaalsContact O-CB 3.29Å; E229-L233 WeakPolarHBondContact O-CB 3.32Å; E229-L233 WeakPolarHBondContact O-CD1 3.25Å; E229-L233 WeakPolarHBondContact O-CG 3.3Å; E229-L233 PolarHBondContact O-N 3.45Å; Q230-L233 PolarHBondContact O-N 3.41Å; L233-T283 HydrophobicContact CD2-CG2 3.79Å; L233-L286 HydrophobicContact CD1-CD1 4.41Å; L233-L286 HydrophobicContact CD2-CD1 4.11Å; L233-L286 HydrophobicContact CG-CD1 4.21Å; L233-Y322 WeakPolarHBondContact CD1-O 3.45Å; L233-A325 HydrophobicContact CD2-CB 3.75Å; L233-D326 PolarHBondContact O-N 3.5Å
234H98.7Very high98.7Very high35 Ų3536.6 Ų36.616%0.16218%0.178CC..SBendtrans-130.462.6-173.1-51.3-65.7000111.6Q230 E236 Q237 S238 K324 D326Q230-H234 CarbonylContact O-C 3.53Å; Q230-H234 WeakPolarHBondContact O-CA 3.39Å; Q230-H234 PolarHBondContact O-N 3.42Å; Q230-H234 PolarHBondContact OE1-CD2 2.91Å; H234-E236 PolarHBondContact O-N 3.25Å; H234-Q237 HydrophobicContact CB-CB 4.39Å; H234-S238 WeakPolarHBondContact O-CB 3.46Å; H234-S238 PolarHBondContact O-N 2.92Å; H234-S238 PolarHBondContact O-OG 2.85Å; H234-K324 PolarHBondContact CE1-O 2.88Å; H234-D326 VanDerWaalsContact CA-OD2 3.32Å; H234-D326 WeakPolarHBondContact CA-OD2 3.42Å; H234-D326 IonicContact CE1-OD1 2.84Å; H234-D326 PolarHBondContact CE1-OD1 3.33Å; H234-D326 IonicContact CG-OD1 3.73Å; H234-D326 IonicContact ND1-OD1 3.63Å; H234-D326 PolarHBondContact ND1-OD1 3.06Å; H234-D326 IonicContact ND1-OD2 2.6Å
235P98.5Very high98.7Very high0 Ų036 Ų360%018%0.175CC..Hα-helixtrans-66.6-34.9-169.728-37.6000113.5M77 L231 M239 L255 L281 L328 V329M77-P235 HydrophobicContact CE-CB 4.32Å; L231-P235 VanDerWaalsContact O-CA 3.25Å; L231-P235 WeakPolarHBondContact O-CA 3.34Å; L231-P235 VanDerWaalsContact O-CB 3.3Å; L231-P235 WeakPolarHBondContact O-CB 3.41Å; P235-M239 VanDerWaalsContact O-CB 3.22Å; P235-M239 WeakPolarHBondContact O-CB 3.44Å; P235-M239 WeakPolarHBondContact O-CG 3.46Å; P235-M239 PolarHBondContact O-N 2.86Å; P235-L255 HydrophobicContact CB-CD2 3.89Å; P235-L255 HydrophobicContact CG-CD2 4.44Å; P235-L281 HydrophobicContact CB-CD1 3.38Å; P235-L281 HydrophobicContact CG-CD1 3.66Å; P235-L328 HydrophobicContact CG-CD2 4.13Å; P235-V329 VanDerWaalsContact CD-CG2 3.48Å; P235-V329 HydrophobicContact CG-CG2 3.68Å
236E98.6Very high98.7Very high73 Ų7333.8 Ų33.834%0.34116%0.161SC..Hα-helixtrans-66.1-51.9179.2-176.4174.8162.900110.9H234 S238 M239 R240 W250 L255H234-E236 PolarHBondContact O-N 3.25Å; E236-S238 PolarHBondContact O-N 3.45Å; E236-M239 PolarHBondContact O-N 3.21Å; E236-R240 HydrophobicContact CG-CG 4.4Å; E236-R240 WeakPolarHBondContact O-CB 3.48Å; E236-R240 VanDerWaalsContact O-CG 3.27Å; E236-R240 WeakPolarHBondContact O-CG 3.23Å; E236-R240 PolarHBondContact O-N 3.4Å; E236-R240 IonicContact OE1-CZ 3.48Å; E236-R240 VanDerWaalsContact OE1-CZ 3.24Å; E236-R240 IonicContact OE1-NE 2.64Å; E236-R240 PolarHBondContact OE1-NE 2.83Å; E236-R240 IonicContact OE1-NH2 2.72Å; E236-R240 PolarHBondContact OE1-NH2 3.24Å; E236-W250 HydrophobicContact CG-CH2 4.05Å; E236-W250 HydrophobicContact CG-CZ2 4.17Å; E236-L255 HydrophobicContact CB-CD1 3.94Å; E236-L255 HydrophobicContact CB-CD2 4.46Å; E236-L255 HydrophobicContact CG-CD1 4.13Å
237Q98.6Very high98.6Very high110 Ų11038.7 Ų38.751%0.51419%0.187SC..Hα-helixtrans-56.4-52.9176.1-179.2-178.3-13.200111H234 M239 R240 E241H234-Q237 HydrophobicContact CB-CB 4.39Å; Q237-M239 VanDerWaalsContact C-N 3.3Å; Q237-M239 PolarHBondContact O-N 3.18Å; Q237-R240 PolarHBondContact O-N 3.25Å; Q237-R240 VanDerWaalsContact O-N 3.15Å; Q237-E241 VanDerWaalsContact CG-OE1 3.28Å; Q237-E241 WeakPolarHBondContact CG-OE1 3.44Å; Q237-E241 PolarHBondContact NE2-OE1 3.47Å; Q237-E241 WeakPolarHBondContact O-CG 3.38Å; Q237-E241 PolarHBondContact O-N 2.92Å
238S98.8Very high98.6Very high5 Ų535.9 Ų35.94%0.03518%0.177CC..Hα-helixtrans-57.2-42.7-178.6-59.20000112.5Q230 H234 E236 L242Q230-S238 PolarHBondContact O-OG 3.25Å; H234-S238 WeakPolarHBondContact O-CB 3.46Å; H234-S238 PolarHBondContact O-N 2.92Å; H234-S238 PolarHBondContact O-OG 2.85Å; E236-S238 PolarHBondContact O-N 3.45Å; S238-L242 WeakPolarHBondContact O-CB 3.34Å; S238-L242 PolarHBondContact O-N 3.41Å
239M98.8Very high98.6Very high0 Ų039.6 Ų39.60%020%0.202CC..Hα-helixtrans-75.5-32.1179.9-70.3-58.4-50.600112.7L74 M77 L78 L231 P235 E236 Q237 L242 L243 W250 V254 L255L74-M239 HydrophobicContact CD1-CE 4.48Å; L74-M239 HydrophobicContact CD1-SD 3.93Å; M77-M239 HydrophobicContact CB-SD 4.33Å; M77-M239 HydrophobicContact CE-CG 3.52Å; M77-M239 HydrophobicContact CE-SD 3.77Å; M77-M239 HydrophobicContact SD-SD 4.46Å; L78-M239 HydrophobicContact CD2-CE 3.76Å; L78-M239 HydrophobicContact CG-CE 4.34Å; L231-M239 HydrophobicContact CD1-CG 4.23Å; L231-M239 HydrophobicContact CD1-SD 3.93Å; P235-M239 VanDerWaalsContact O-CB 3.22Å; P235-M239 WeakPolarHBondContact O-CB 3.44Å; P235-M239 WeakPolarHBondContact O-CG 3.46Å; P235-M239 PolarHBondContact O-N 2.86Å; E236-M239 PolarHBondContact O-N 3.21Å; Q237-M239 VanDerWaalsContact C-N 3.3Å; Q237-M239 PolarHBondContact O-N 3.18Å; M239-L242 HydrophobicContact CE-CD2 4.23Å; M239-L242 HydrophobicContact SD-CD2 4.3Å; M239-L243 HydrophobicContact CE-CG 4.37Å; M239-L243 VanDerWaalsContact O-CB 3.32Å; M239-L243 WeakPolarHBondContact O-CB 3.5Å; M239-L243 VanDerWaalsContact O-CG 3.27Å; M239-L243 WeakPolarHBondContact O-CG 3.47Å; M239-L243 PolarHBondContact O-N 3.01Å; M239-W250 HydrophobicContact CB-CH2 4.15Å; M239-W250 HydrophobicContact CB-CZ3 3.71Å; M239-V254 HydrophobicContact CB-CG2 3.94Å; M239-V254 HydrophobicContact CE-CB 3.93Å; M239-V254 HydrophobicContact CE-CG1 4.29Å; M239-V254 HydrophobicContact CE-CG2 4.04Å; M239-V254 HydrophobicContact CG-CG2 4.09Å; M239-L255 HydrophobicContact CG-CD2 4.29Å
240R98.8Very high98.6Very high100 Ų10042.8 Ų42.838%0.37721%0.214SC..Hα-helixtrans-64.7-46.8174.2-76.6-177.4-175.5-62.7-5.4110.8E236 Q237 S244 W250 E252E236-R240 HydrophobicContact CG-CG 4.4Å; E236-R240 WeakPolarHBondContact O-CB 3.48Å; E236-R240 VanDerWaalsContact O-CG 3.27Å; E236-R240 WeakPolarHBondContact O-CG 3.23Å; E236-R240 PolarHBondContact O-N 3.4Å; E236-R240 IonicContact OE1-CZ 3.48Å; E236-R240 VanDerWaalsContact OE1-CZ 3.24Å; E236-R240 IonicContact OE1-NE 2.64Å; E236-R240 PolarHBondContact OE1-NE 2.83Å; E236-R240 IonicContact OE1-NH2 2.72Å; E236-R240 PolarHBondContact OE1-NH2 3.24Å; Q237-R240 PolarHBondContact O-N 3.25Å; Q237-R240 VanDerWaalsContact O-N 3.15Å; R240-S244 VanDerWaalsContact O-CB 3.28Å; R240-S244 WeakPolarHBondContact O-CB 3.42Å; R240-S244 PolarHBondContact O-N 3.1Å; R240-W250 HydrophobicContact CB-CE3 4.4Å; R240-W250 HydrophobicContact CB-CZ3 4.32Å; R240-W250 HydrophobicContact CG-CD2 4.11Å; R240-W250 HydrophobicContact CG-CE3 3.52Å; R240-W250 HydrophobicContact CG-CH2 4.05Å; R240-W250 HydrophobicContact CG-CZ3 3.49Å; R240-W250 VanDerWaalsContact CG-CZ3 3.49Å; R240-W250 VanDerWaalsContact NH1-CD2 3.3Å; R240-W250 VanDerWaalsContact NH1-CG 3.27Å; R240-E252 IonicContact NH2-OE1 3.93Å
241E98.8Very high98.6Very high91 Ų9141.7 Ų41.743%0.42521%0.211SC..Hα-helixtrans-60.2-46.9175.7-69.7172-171.300111F224 Q237 S244 F245F224-E241 HydrophobicContact CE2-CB 4.48Å; F224-E241 HydrophobicContact CZ-CB 4.05Å; Q237-E241 VanDerWaalsContact CG-OE1 3.28Å; Q237-E241 WeakPolarHBondContact CG-OE1 3.44Å; Q237-E241 PolarHBondContact NE2-OE1 3.47Å; Q237-E241 WeakPolarHBondContact O-CG 3.38Å; Q237-E241 PolarHBondContact O-N 2.92Å; E241-S244 PolarHBondContact O-N 3.21Å; E241-F245 WeakPolarHBondContact O-CB 3.33Å; E241-F245 PolarHBondContact O-N 2.99Å
242L98.8Very high98.6Very high0 Ų046.3 Ų46.30%023%0.233CC..Hα-helixtrans-64.4-47.3178.9177.362.4000112.8L74 L78 V169 F224 L226 S238 M239 S244 F245 L246L74-L242 HydrophobicContact CD1-CD2 3.47Å; L74-L242 VanDerWaalsContact CD1-CD2 3.47Å; L74-L242 HydrophobicContact CD2-CD2 4.22Å; L74-L242 HydrophobicContact CG-CD2 4.42Å; L78-L242 HydrophobicContact CD1-CD2 4.43Å; L78-L242 HydrophobicContact CD2-CD2 4.32Å; V169-L242 HydrophobicContact CG1-CD1 4.02Å; V169-L242 HydrophobicContact CG2-CD1 3.64Å; F224-L242 HydrophobicContact CD1-CD1 3.94Å; F224-L242 HydrophobicContact CE1-CB 4.43Å; F224-L242 HydrophobicContact CE1-CD1 4.41Å; F224-L242 HydrophobicContact CG-CD1 4.34Å; L226-L242 HydrophobicContact CD2-CD2 4.21Å; S238-L242 WeakPolarHBondContact O-CB 3.34Å; S238-L242 PolarHBondContact O-N 3.41Å; M239-L242 HydrophobicContact CE-CD2 4.23Å; M239-L242 HydrophobicContact SD-CD2 4.3Å; L242-S244 VanDerWaalsContact C-N 3.31Å; L242-S244 PolarHBondContact O-N 2.82Å; L242-F245 HydrophobicContact CD1-CD1 4.12Å; L242-F245 WeakPolarHBondContact O-CB 3.43Å; L242-F245 PolarHBondContact O-N 3.08Å; L242-L246 HydrophobicContact CD1-CD1 3.96Å; L242-L246 HydrophobicContact CD1-CG 4.08Å; L242-L246 HydrophobicContact CG-CD1 3.92Å; L242-L246 HydrophobicContact CG-CG 4.41Å; L242-L246 VanDerWaalsContact O-CG 3.25Å; L242-L246 WeakPolarHBondContact O-CG 3.37Å; L242-L246 PolarHBondContact O-N 2.89Å
243L98.8Very high98.5Very high2 Ų246.8 Ų46.81%0.0124%0.237CC..Hα-helixtrans-66.6-35.5-179.7-71.2178.4000111.6L78 I84 M239 L246 D247 I248 W250 V254L78-L243 HydrophobicContact CD2-CD2 3.96Å; I84-L243 HydrophobicContact CD1-CD2 4.04Å; M239-L243 HydrophobicContact CE-CG 4.37Å; M239-L243 VanDerWaalsContact O-CB 3.32Å; M239-L243 WeakPolarHBondContact O-CB 3.5Å; M239-L243 VanDerWaalsContact O-CG 3.27Å; M239-L243 WeakPolarHBondContact O-CG 3.47Å; M239-L243 PolarHBondContact O-N 3.01Å; L243-L246 PolarHBondContact O-N 3.3Å; L243-D247 PolarHBondContact O-N 3.07Å; L243-I248 HydrophobicContact CD2-CB 4.08Å; L243-I248 HydrophobicContact CD2-CG2 4.11Å; L243-I248 PolarHBondContact O-N 3.03Å; L243-W250 HydrophobicContact CD1-CE3 3.78Å; L243-W250 HydrophobicContact CD1-CZ3 4.19Å; L243-V254 HydrophobicContact CD1-CG1 4.25Å; L243-V254 HydrophobicContact CD1-CG2 4.41Å
244S98.7Very high98.6Very high87 Ų8746.5 Ų46.561%0.60824%0.235SC*.Hα-helixtrans-60.8-47.6169.9-172.30000111.2R240 E241 L242 L246 D247R240-S244 VanDerWaalsContact O-CB 3.28Å; R240-S244 WeakPolarHBondContact O-CB 3.42Å; R240-S244 PolarHBondContact O-N 3.1Å; E241-S244 PolarHBondContact O-N 3.21Å; L242-S244 VanDerWaalsContact C-N 3.31Å; L242-S244 PolarHBondContact O-N 2.82Å; S244-L246 PolarHBondContact O-N 3.41Å; S244-D247 PolarHBondContact O-N 3.33Å; S244-D247 VanDerWaalsContact O-N 3.16Å
245F98.7Very high98.5Very high27 Ų2745 Ų4512%0.11823%0.229CC..Hα-helixtrans-58.7-34.6174.8163.9-98.9000112.2K167 G220 F224 E241 L242 D247K167-F245 HydrophobicContact CB-CE1 3.88Å; K167-F245 HydrophobicContact CB-CZ 3.94Å; K167-F245 HydrophobicContact CD-CE1 4.1Å; K167-F245 HydrophobicContact CD-CE2 4.39Å; K167-F245 HydrophobicContact CD-CZ 4.01Å; K167-F245 VanDerWaalsContact CD-O 3.27Å; K167-F245 WeakPolarHBondContact CD-O 3.43Å; K167-F245 WeakPolarHBondContact CE-O 3.42Å; K167-F245 HydrophobicContact CG-CE1 4.34Å; K167-F245 HydrophobicContact CG-CZ 4.08Å; K167-F245 PolarHBondContact NZ-O 2.81Å; G220-F245 WeakPolarHBondContact O-CE2 3.31Å; F224-F245 HydrophobicContact CB-CD1 3.5Å; F224-F245 HydrophobicContact CB-CD2 4.09Å; F224-F245 HydrophobicContact CB-CE1 3.45Å; F224-F245 VanDerWaalsContact CB-CE1 3.45Å; F224-F245 HydrophobicContact CB-CE2 4.04Å; F224-F245 HydrophobicContact CB-CG 3.83Å; F224-F245 HydrophobicContact CB-CZ 3.74Å; F224-F245 HydrophobicContact CD2-CB 3.83Å; F224-F245 HydrophobicContact CD2-CD1 4.18Å; F224-F245 HydrophobicContact CD2-CD2 4.06Å; F224-F245 AromaticContact CD2-CG 3.74Å; F224-F245 HydrophobicContact CD2-CG 3.74Å; F224-F245 HydrophobicContact CE2-CB 4.29Å; F224-F245 HydrophobicContact CG-CB 4.43Å; F224-F245 HydrophobicContact CG-CD1 4Å; F224-F245 HydrophobicContact CG-CE1 4.43Å; F224-F245 HydrophobicContact CG-CG 4.04Å; E241-F245 WeakPolarHBondContact O-CB 3.33Å; E241-F245 PolarHBondContact O-N 2.99Å; L242-F245 HydrophobicContact CD1-CD1 4.12Å; L242-F245 WeakPolarHBondContact O-CB 3.43Å; L242-F245 PolarHBondContact O-N 3.08Å; F245-D247 VanDerWaalsContact C-N 3.31Å; F245-D247 PolarHBondContact O-N 3.32Å
246L98.6Very high98.5Very high0 Ų046.5 Ų46.50%024%0.237CC..THydrogen-bonded Turntrans-82.9-3.4-179.5-66.3173.6000114.4I61 L78 R144 K167 V169 L242 L243 S244 I248I61-L246 HydrophobicContact CD1-CD1 3.8Å; I61-L246 HydrophobicContact CD1-CD2 4.06Å; I61-L246 HydrophobicContact CD1-CG 4.41Å; I61-L246 HydrophobicContact CG1-CD2 3.99Å; I61-L246 HydrophobicContact CG2-CD2 4.04Å; L78-L246 HydrophobicContact CD2-CD1 4.32Å; R144-L246 PolarHBondContact NH2-O 3.02Å; R144-L246 VanDerWaalsContact NH2-O 3.16Å; K167-L246 HydrophobicContact CB-CD2 3.98Å; K167-L246 HydrophobicContact CD-CD2 4.35Å; V169-L246 HydrophobicContact CG2-CD2 4.49Å; L242-L246 HydrophobicContact CD1-CD1 3.96Å; L242-L246 HydrophobicContact CD1-CG 4.08Å; L242-L246 HydrophobicContact CG-CD1 3.92Å; L242-L246 HydrophobicContact CG-CG 4.41Å; L242-L246 VanDerWaalsContact O-CG 3.25Å; L242-L246 WeakPolarHBondContact O-CG 3.37Å; L242-L246 PolarHBondContact O-N 2.89Å; L243-L246 PolarHBondContact O-N 3.3Å; S244-L246 PolarHBondContact O-N 3.41Å; L246-I248 HydrophobicContact CB-CD1 3.72Å; L246-I248 HydrophobicContact CB-CG1 3.92Å; L246-I248 HydrophobicContact CD1-CD1 4.21Å
247D98.2Very high98.4Very high110 Ų11043.1 Ų43.159%0.58822%0.221SC*.THydrogen-bonded Turntrans56.746.3-170.4-44.5-57.6000112.4K167 L243 S244 F245K167-D247 IonicContact NZ-OD1 3.64Å; K167-D247 IonicContact NZ-OD2 3.53Å; K167-D247 PolarHBondContact NZ-OD2 3.21Å; L243-D247 PolarHBondContact O-N 3.07Å; S244-D247 PolarHBondContact O-N 3.33Å; S244-D247 VanDerWaalsContact O-N 3.16Å; F245-D247 VanDerWaalsContact C-N 3.31Å; F245-D247 PolarHBondContact O-N 3.32Å
248I98.3Very high98.2Very high15 Ų1538 Ų388%0.07720%0.197CC..  trans-122.5131.9-179.3-58.4173.3000109.1I61 I84 R144 L243 L246I61-I248 HydrophobicContact CD1-CD1 4.03Å; I84-I248 HydrophobicContact CD1-CD1 3.51Å; I84-I248 HydrophobicContact CD1-CG2 4.28Å; I84-I248 HydrophobicContact CG1-CD1 3.85Å; R144-I248 HydrophobicContact CB-CD1 4.29Å; R144-I248 HydrophobicContact CG-CD1 3.84Å; L243-I248 HydrophobicContact CD2-CB 4.08Å; L243-I248 HydrophobicContact CD2-CG2 4.11Å; L243-I248 PolarHBondContact O-N 3.03Å; L246-I248 HydrophobicContact CB-CD1 3.72Å; L246-I248 HydrophobicContact CB-CG1 3.92Å; L246-I248 HydrophobicContact CD1-CD1 4.21Å
249P98.3Very high98Very high91 Ų9143.3 Ų43.359%0.59122%0.219SC*.  trans-56.4150.4175.9-25.735.1000112.6H81H81-P249 PolarHBondContact NE2-O 3.36Å
250W98.6Very high97.8Very high69 Ų6946.5 Ų46.526%0.26123%0.233SC..  trans-64.1140.9174.3175.9-106.3000111.8E236 M239 R240 L243 E252 V254 L255E236-W250 HydrophobicContact CG-CH2 4.05Å; E236-W250 HydrophobicContact CG-CZ2 4.17Å; M239-W250 HydrophobicContact CB-CH2 4.15Å; M239-W250 HydrophobicContact CB-CZ3 3.71Å; R240-W250 HydrophobicContact CB-CE3 4.4Å; R240-W250 HydrophobicContact CB-CZ3 4.32Å; R240-W250 HydrophobicContact CG-CD2 4.11Å; R240-W250 HydrophobicContact CG-CE3 3.52Å; R240-W250 HydrophobicContact CG-CH2 4.05Å; R240-W250 HydrophobicContact CG-CZ3 3.49Å; R240-W250 VanDerWaalsContact CG-CZ3 3.49Å; R240-W250 VanDerWaalsContact NH1-CD2 3.3Å; R240-W250 VanDerWaalsContact NH1-CG 3.27Å; L243-W250 HydrophobicContact CD1-CE3 3.78Å; L243-W250 HydrophobicContact CD1-CZ3 4.19Å; W250-E252 PolarHBondContact NE1-OE1 2.89Å; W250-V254 HydrophobicContact CH2-CG2 3.85Å; W250-V254 HydrophobicContact CZ3-CG2 3.9Å; W250-L255 HydrophobicContact CH2-CD1 3.87Å; W250-L255 HydrophobicContact CH2-CD2 4.13Å; W250-L255 HydrophobicContact CH2-CG 3.9Å; W250-L255 HydrophobicContact CZ2-CD1 3.78Å; W250-L255 HydrophobicContact CZ2-CG 4.12Å
251N98.5Very high97.6Very high55 Ų5542.3 Ų42.329%0.29422%0.218SC..  trans-144.9126.9168.4-167.5-68.3000111.2H81 P82 A253 V254H81-N251 VanDerWaalsContact CD2-CB 3.41Å; H81-N251 WeakPolarHBondContact CD2-CB 3.38Å; H81-N251 WeakPolarHBondContact NE2-CB 3.31Å; P82-N251 WeakPolarHBondContact CD-ND2 3.2Å; P82-N251 WeakPolarHBondContact CG-ND2 3.3Å; N251-A253 PolarHBondContact O-N 2.97Å; N251-A253 WeakPolarHBondContact OD1-CB 3.43Å; N251-A253 PolarHBondContact OD1-N 3.4Å; N251-V254 WeakPolarHBondContact O-CG2 3.35Å; N251-V254 PolarHBondContact O-N 3.3Å
252E98Very high97Very high96 Ų9639.4 Ų39.445%0.44921%0.212SC..G310 helixtrans-58.3-18.8-178.9-69.3-60.1150.500114.8R240 W250 V254 L255 N256R240-E252 IonicContact NH2-OE1 3.93Å; W250-E252 PolarHBondContact NE1-OE1 2.89Å; E252-V254 PolarHBondContact O-N 3.3Å; E252-L255 PolarHBondContact O-N 3.06Å; E252-N256 PolarHBondContact O-ND2 2.7Å
253A98.1Very high96.6Very high11 Ų1147.3 Ų47.39%0.09125%0.247CC..G310 helixtrans-57.7-3017700000112.5A80 N251 L255 N256 H257 F260A80-A253 HydrophobicContact CB-CB 4.21Å; A80-A253 VanDerWaalsContact CB-O 3.23Å; A80-A253 WeakPolarHBondContact CB-O 3.17Å; A80-A253 VanDerWaalsContact O-CB 3.28Å; A80-A253 WeakPolarHBondContact O-CB 3.22Å; N251-A253 PolarHBondContact O-N 2.97Å; N251-A253 WeakPolarHBondContact OD1-CB 3.43Å; N251-A253 PolarHBondContact OD1-N 3.4Å; A253-L255 PolarHBondContact O-N 3.46Å; A253-N256 CarbonylContact O-C 3.58Å; A253-N256 WeakPolarHBondContact O-CA 3.41Å; A253-N256 PolarHBondContact O-N 3.21Å; A253-H257 PolarHBondContact O-N 3.29Å; A253-F260 HydrophobicContact CB-CE2 3.66Å; A253-F260 HydrophobicContact CB-CZ 3.69Å
254V98.5Very high96.2Very high0 Ų051.4 Ų51.40%026%0.264CS..G310 helixtrans-65.2-25-178.3-53.70000113.5M77 H81 M239 L243 W250 N251 E252 N256M77-V254 WeakPolarHBondContact CB-O 3.36Å; M77-V254 WeakPolarHBondContact CE-O 3.22Å; M77-V254 WeakPolarHBondContact CG-O 3.48Å; M77-V254 WeakPolarHBondContact O-CA 3.46Å; M77-V254 WeakPolarHBondContact O-CB 3.47Å; M77-V254 WeakPolarHBondContact O-CG1 3.44Å; H81-V254 HydrophobicContact CB-CG1 3.87Å; M239-V254 HydrophobicContact CB-CG2 3.94Å; M239-V254 HydrophobicContact CE-CB 3.93Å; M239-V254 HydrophobicContact CE-CG1 4.29Å; M239-V254 HydrophobicContact CE-CG2 4.04Å; M239-V254 HydrophobicContact CG-CG2 4.09Å; L243-V254 HydrophobicContact CD1-CG1 4.25Å; L243-V254 HydrophobicContact CD1-CG2 4.41Å; W250-V254 HydrophobicContact CH2-CG2 3.85Å; W250-V254 HydrophobicContact CZ3-CG2 3.9Å; N251-V254 WeakPolarHBondContact O-CG2 3.35Å; N251-V254 PolarHBondContact O-N 3.3Å; E252-V254 PolarHBondContact O-N 3.3Å; V254-N256 VanDerWaalsContact C-N 3.29Å
255L98.2Very high95.9Very high4 Ų447.2 Ų47.22%0.02124%0.235CC..G310 helixtrans-84.8-4.2175.1-57.6-177000113.1M77 P235 E236 M239 W250 E252 A253 L328 K332M77-L255 HydrophobicContact CE-CD2 4.42Å; P235-L255 HydrophobicContact CB-CD2 3.89Å; P235-L255 HydrophobicContact CG-CD2 4.44Å; E236-L255 HydrophobicContact CB-CD1 3.94Å; E236-L255 HydrophobicContact CB-CD2 4.46Å; E236-L255 HydrophobicContact CG-CD1 4.13Å; M239-L255 HydrophobicContact CG-CD2 4.29Å; W250-L255 HydrophobicContact CH2-CD1 3.87Å; W250-L255 HydrophobicContact CH2-CD2 4.13Å; W250-L255 HydrophobicContact CH2-CG 3.9Å; W250-L255 HydrophobicContact CZ2-CD1 3.78Å; W250-L255 HydrophobicContact CZ2-CG 4.12Å; E252-L255 PolarHBondContact O-N 3.06Å; A253-L255 PolarHBondContact O-N 3.46Å; L255-L328 HydrophobicContact CD1-CD2 3.96Å; L255-K332 VanDerWaalsContact O-CE 3.23Å; L255-K332 WeakPolarHBondContact O-CE 3.32Å; L255-K332 PolarHBondContact O-NZ 3.27Å
256N96.9Very high95.5Very high31 Ų3149.2 Ų49.217%0.16625%0.252CS..G310 helixtrans-131.930.4-169.3-66.1-79000112.4E252 A253 V254 E258 K259 F260 K332E252-N256 PolarHBondContact O-ND2 2.7Å; A253-N256 CarbonylContact O-C 3.58Å; A253-N256 WeakPolarHBondContact O-CA 3.41Å; A253-N256 PolarHBondContact O-N 3.21Å; V254-N256 VanDerWaalsContact C-N 3.29Å; N256-E258 WeakPolarHBondContact CA-OE2 3.47Å; N256-E258 PolarHBondContact O-N 2.99Å; N256-E258 VanDerWaalsContact O-N 3.08Å; N256-K259 HydrophobicContact CB-CD 4.06Å; N256-K259 HydrophobicContact CB-CG 4.39Å; N256-K259 WeakPolarHBondContact O-CB 3.42Å; N256-K259 PolarHBondContact O-N 3.3Å; N256-K259 PolarHBondContact OD1-NZ 2.95Å; N256-K259 VanDerWaalsContact OD1-NZ 3.07Å; N256-F260 HydrophobicContact CB-CE2 4.34Å; N256-F260 VanDerWaalsContact O-CD2 3.25Å; N256-F260 WeakPolarHBondContact O-CD2 3.27Å; N256-K332 PolarHBondContact OD1-NZ 3.37Å
257H97.2Very high95.1Very high1 Ų149.7 Ų49.71%0.00526%0.255CS..G310 helixtrans-49.2-36.9-178.169-78.9000113.3A76 M77 A80 A253 K259 F260 I261 I265 V277 K279A76-H257 HydrophobicContact CB-CB 4.32Å; A76-H257 WeakPolarHBondContact O-CB 3.13Å; M77-H257 HydrophobicContact CG-CB 4.26Å; A80-H257 HydrophobicContact CB-CB 4.35Å; A253-H257 PolarHBondContact O-N 3.29Å; H257-K259 PolarHBondContact O-N 2.91Å; H257-F260 PolarHBondContact O-N 3.15Å; H257-I261 PolarHBondContact O-N 3.14Å; H257-I265 HydrophobicContact CB-CD1 3.95Å; H257-I265 VanDerWaalsContact O-CD1 3.31Å; H257-I265 WeakPolarHBondContact O-CD1 3.29Å; H257-V277 PolarHBondContact CD2-O 3.22Å; H257-V277 PolarHBondContact NE2-O 3.49Å; H257-K279 PolarHBondContact NE2-O 3.42Å
258E95Very high94.5Very high4 Ų445.3 Ų45.32%0.01923%0.233CC..G310 helixtrans-56-28.5178.973.5-75.2174.600112.8N256 F260 P280 K332 K345N256-E258 WeakPolarHBondContact CA-OE2 3.47Å; N256-E258 PolarHBondContact O-N 2.99Å; N256-E258 VanDerWaalsContact O-N 3.08Å; E258-F260 VanDerWaalsContact C-N 3.31Å; E258-F260 PolarHBondContact O-N 2.95Å; E258-P280 HydrophobicContact CG-CB 4.31Å; E258-P280 HydrophobicContact CG-CG 3.99Å; E258-K332 IonicContact OE1-NZ 2.66Å; E258-K332 PolarHBondContact OE1-NZ 2.96Å; E258-K332 IonicContact OE2-NZ 3.02Å; E258-K345 PolarHBondContact O-NZ 3.2Å
259K94.6Very high93.8Very high116 Ų11648.1 Ų48.150%0.50425%0.245SC..G310 helixtrans-78.2-15.1-179.3-57.9-176.2-175162.40113.4N256 H257 K263N256-K259 HydrophobicContact CB-CD 4.06Å; N256-K259 HydrophobicContact CB-CG 4.39Å; N256-K259 WeakPolarHBondContact O-CB 3.42Å; N256-K259 PolarHBondContact O-N 3.3Å; N256-K259 PolarHBondContact OD1-NZ 2.95Å; N256-K259 VanDerWaalsContact OD1-NZ 3.07Å; H257-K259 PolarHBondContact O-N 2.91Å; K259-K263 PolarHBondContact O-NZ 3.26Å
260F95.3Very high93.2Very high66 Ų6649.5 Ų49.529%0.28925%0.252SS..THydrogen-bonded Turntrans-108.9-3.3-176.5-57.8-83.8000113.7A80 A253 N256 H257 E258 G262 K263 K264 I265A80-F260 HydrophobicContact CB-CD2 3.87Å; A80-F260 HydrophobicContact CB-CE2 4.34Å; A80-F260 HydrophobicContact CB-CG 4.43Å; A253-F260 HydrophobicContact CB-CE2 3.66Å; A253-F260 HydrophobicContact CB-CZ 3.69Å; N256-F260 HydrophobicContact CB-CE2 4.34Å; N256-F260 VanDerWaalsContact O-CD2 3.25Å; N256-F260 WeakPolarHBondContact O-CD2 3.27Å; H257-F260 PolarHBondContact O-N 3.15Å; E258-F260 VanDerWaalsContact C-N 3.31Å; E258-F260 PolarHBondContact O-N 2.95Å; F260-G262 PolarHBondContact O-N 3.48Å; F260-K263 WeakPolarHBondContact O-CB 3.19Å; F260-K263 PolarHBondContact O-N 2.66Å; F260-K263 VanDerWaalsContact O-N 3.07Å; F260-K264 PolarHBondContact O-N 2.64Å; F260-I265 HydrophobicContact CB-CD1 3.64Å; F260-I265 HydrophobicContact CB-CG1 3.87Å; F260-I265 PolarHBondContact O-N 3.48Å; F260-I265 VanDerWaalsContact O-N 3.1Å
261I93.4Very high92.7Very high13 Ų1347.2 Ų47.27%0.06724%0.244CC..BIsolated β-bridgetrans-60.6132.1173.4-57.2-55000111.2H257 K263 I265 L267 I278 I349H257-I261 PolarHBondContact O-N 3.14Å; I261-K263 PolarHBondContact O-N 3.07Å; I261-I265 HydrophobicContact CD1-CB 3.89Å; I261-I265 HydrophobicContact CD1-CD1 3.92Å; I261-I265 HydrophobicContact CD1-CG2 3.63Å; I261-L267 HydrophobicContact CD1-CD1 3.87Å; I261-L267 HydrophobicContact CD1-CG 4.25Å; I261-L267 HydrophobicContact CG1-CD1 4.47Å; I261-L267 HydrophobicContact CG2-CD1 3.73Å; I261-L267 HydrophobicContact CG2-CG 4.35Å; I261-I278 HydrophobicContact CG2-CG2 4.1Å; I261-I349 HydrophobicContact CG2-CD1 3.38Å; I261-I349 HydrophobicContact CG2-CG1 4.2Å
262G87.2Confident92.3Very high29 Ų2949.9 Ų49.930%0.29925%0.253SS..THydrogen-bonded Turntrans74.84.7-176.900000113.4F260 I265 R352F260-G262 PolarHBondContact O-N 3.48Å; G262-I265 PolarHBondContact N-O 3.34Å; G262-R352 PolarHBondContact O-NH1 3.38Å
263K88.7Confident92Very high167 Ų16746.1 Ų46.173%0.72624%0.237SC*.THydrogen-bonded Turntrans-112.6-101.7170.2-59.4175.3-175.9168.40108.1K259 F260 I261K259-K263 PolarHBondContact O-NZ 3.26Å; F260-K263 WeakPolarHBondContact O-CB 3.19Å; F260-K263 PolarHBondContact O-N 2.66Å; F260-K263 VanDerWaalsContact O-N 3.07Å; I261-K263 PolarHBondContact O-N 3.07Å
264K90.5Very high91.7Very high87 Ų8745.7 Ų45.738%0.37823%0.233SC..THydrogen-bonded Turntrans-74.1-34.1176.5-175.1174.7177.1-178.90112.3D79 H81 P82 I84 F260D79-K264 WeakPolarHBondContact O-CD 3.29Å; D79-K264 WeakPolarHBondContact O-CE 3.43Å; H81-K264 PolarHBondContact O-NZ 2.95Å; P82-K264 PolarHBondContact O-NZ 3.43Å; I84-K264 PolarHBondContact O-NZ 3.44Å; F260-K264 PolarHBondContact O-N 2.64Å
265I93.4Very high91.4Very high0 Ų047.8 Ų47.80%024%0.244CC..BIsolated β-bridgetrans-90.4111.4-179.6-52171.4000109A76 D79 A80 H257 F260 I261 G262 L267A76-I265 HydrophobicContact CB-CD1 4.5Å; A76-I265 HydrophobicContact CB-CG2 4.18Å; A76-I265 WeakPolarHBondContact O-CD1 3.33Å; D79-I265 HydrophobicContact CB-CB 4.42Å; D79-I265 HydrophobicContact CB-CG1 3.8Å; D79-I265 HydrophobicContact CB-CG2 4.25Å; A80-I265 HydrophobicContact CB-CD1 4.04Å; H257-I265 HydrophobicContact CB-CD1 3.95Å; H257-I265 VanDerWaalsContact O-CD1 3.31Å; H257-I265 WeakPolarHBondContact O-CD1 3.29Å; F260-I265 HydrophobicContact CB-CD1 3.64Å; F260-I265 HydrophobicContact CB-CG1 3.87Å; F260-I265 PolarHBondContact O-N 3.48Å; F260-I265 VanDerWaalsContact O-N 3.1Å; I261-I265 HydrophobicContact CD1-CB 3.89Å; I261-I265 HydrophobicContact CD1-CD1 3.92Å; I261-I265 HydrophobicContact CD1-CG2 3.63Å; G262-I265 PolarHBondContact N-O 3.34Å; I265-L267 HydrophobicContact CG2-CD2 4.3Å
266S90.7Very high91.2Very high68 Ų6849.2 Ų49.248%0.47625%0.251SS..  trans-84.3138.9170.3-164.30000110.6R75 E88R75-S266 PolarHBondContact NH2-O 3.01Å; E88-S266 VanDerWaalsContact OE1-CB 3.28Å; E88-S266 WeakPolarHBondContact OE1-CB 3.37Å; E88-S266 PolarHBondContact OE1-OG 2.6Å
267L89.4Confident91.1Very high10 Ų1048 Ų485%0.05225%0.245CC..  trans-127.3132.1174.5-66.3-179000110.1E88 I261 I265 T274 V277 I278 I349E88-L267 PolarHBondContact OE1-N 3.43Å; I261-L267 HydrophobicContact CD1-CD1 3.87Å; I261-L267 HydrophobicContact CD1-CG 4.25Å; I261-L267 HydrophobicContact CG1-CD1 4.47Å; I261-L267 HydrophobicContact CG2-CD1 3.73Å; I261-L267 HydrophobicContact CG2-CG 4.35Å; I265-L267 HydrophobicContact CG2-CD2 4.3Å; L267-T274 HydrophobicContact CB-CG2 3.92Å; L267-T274 HydrophobicContact CD1-CG2 3.96Å; L267-V277 HydrophobicContact CD1-CG1 4.45Å; L267-V277 HydrophobicContact CD2-CG1 4.11Å; L267-I278 HydrophobicContact CD1-CG2 3.55Å; L267-I349 HydrophobicContact CB-CG2 4.5Å
268S86.8Confident90.9Very high18 Ų1848 Ų4813%0.12625%0.245CC..  trans-75.2142.6176.2177.30000111.7E88 T270 E271 T274E88-S268 PolarHBondContact OE1-N 3.03Å; E88-S268 VanDerWaalsContact OE2-CB 3.25Å; E88-S268 WeakPolarHBondContact OE2-CB 3.44Å; S268-T270 PolarHBondContact O-N 2.98Å; S268-T270 PolarHBondContact OG-N 2.76Å; S268-T270 PolarHBondContact OG-OG1 2.92Å; S268-E271 PolarHBondContact O-N 3.46Å; S268-T274 PolarHBondContact O-OG1 3.19Å
269K83.2Confident90.9Very high74 Ų7450.7 Ų50.732%0.32226%0.257SS..SBendtrans-65.4-28.3168.2-71.9167.5163.5159.10113.2F350 S353K269-F350 HydrophobicContact CB-CD1 4.33Å; K269-F350 HydrophobicContact CB-CE1 4.33Å; K269-F350 WeakPolarHBondContact CE-O 3.48Å; K269-F350 HydrophobicContact CG-CB 4.48Å; K269-F350 HydrophobicContact CG-CD1 3.62Å; K269-F350 HydrophobicContact CG-CE1 4.09Å; K269-F350 HydrophobicContact CG-CG 4.19Å; K269-F350 PolarHBondContact NZ-O 3.4Å; K269-S353 VanDerWaalsContact CD-OG 3.23Å; K269-S353 WeakPolarHBondContact CD-OG 3.41Å; K269-S353 WeakPolarHBondContact CE-OG 3.49Å; K269-S353 PolarHBondContact NZ-O 3.05Å; K269-S353 PolarHBondContact NZ-OG 3.33Å
270T86.1Confident91Very high121 Ų12145.3 Ų45.374%0.74223%0.233SC*.SBendtrans-86.9-15.8-175.863.10000111.7S268 K272S268-T270 PolarHBondContact O-N 2.98Å; S268-T270 PolarHBondContact OG-N 2.76Å; S268-T270 PolarHBondContact OG-OG1 2.92Å; T270-K272 PolarHBondContact O-N 3.35Å
271E87.9Confident91Very high20 Ų2042.3 Ų42.39%0.09322%0.22CC..  trans-71.7113.7173.4-81.7-166.6-129.500110.8T72 R75 E89 K148 S268 S273 T274T72-E271 WeakPolarHBondContact CG2-OE2 3.4Å; T72-E271 PolarHBondContact OG1-OE2 3.34Å; T72-E271 VanDerWaalsContact OG1-OE2 3.04Å; R75-E271 IonicContact NH1-OE1 2.7Å; R75-E271 PolarHBondContact NH1-OE1 3.4Å; R75-E271 IonicContact NH1-OE2 3.81Å; E89-E271 PolarHBondContact N-OE1 2.77Å; K148-E271 IonicContact NZ-OE1 3.02Å; K148-E271 IonicContact NZ-OE2 3.78Å; K148-E271 PolarHBondContact NZ-OE2 3.36Å; S268-E271 PolarHBondContact O-N 3.46Å; E271-S273 PolarHBondContact O-N 3.02Å; E271-T274 WeakPolarHBondContact O-CB 3.44Å; E271-T274 PolarHBondContact O-N 3.38Å; E271-T274 VanDerWaalsContact O-N 3.08Å; E271-T274 PolarHBondContact O-OG1 2.86Å; E271-T274 VanDerWaalsContact O-OG1 3.09Å
272K89.5Confident91.1Very high112 Ų11243 Ų4349%0.48722%0.222SC..THydrogen-bonded Turntrans-61.8-10177.7-66.9-70.3-173.5176.50114R185 V187 T270R185-K272 PolarHBondContact NE-O 3.17Å; R185-K272 VanDerWaalsContact NE-O 3.07Å; R185-K272 PolarHBondContact NH2-O 3.49Å; V187-K272 HydrophobicContact CG2-CB 3.82Å; V187-K272 HydrophobicContact CG2-CG 3.86Å; T270-K272 PolarHBondContact O-N 3.35Å
273S92.5Very high91.5Very high17 Ų1743.8 Ų43.812%0.11922%0.221CC..THydrogen-bonded Turntrans-88.2-10.5176.6-54.60000113.6R68 T72 E271 D275 Q276 V277R68-S273 PolarHBondContact NH1-OG 3.38Å; T72-S273 PolarHBondContact OG1-OG 2.83Å; E271-S273 PolarHBondContact O-N 3.02Å; S273-D275 PolarHBondContact O-N 3.35Å; S273-Q276 WeakPolarHBondContact O-CA 3.5Å; S273-Q276 WeakPolarHBondContact O-CB 3.46Å; S273-Q276 PolarHBondContact O-N 2.76Å; S273-V277 PolarHBondContact O-N 2.76Å
274T91.5Very high91.7Very high1 Ų139.4 Ų39.41%0.00621%0.211CC..Hα-helixtrans-59.9-45.6-165.6-67.30000113L267 S268 E271 Q276 V277 I278 L346 F350L267-T274 HydrophobicContact CB-CG2 3.92Å; L267-T274 HydrophobicContact CD1-CG2 3.96Å; S268-T274 PolarHBondContact O-OG1 3.19Å; E271-T274 WeakPolarHBondContact O-CB 3.44Å; E271-T274 PolarHBondContact O-N 3.38Å; E271-T274 VanDerWaalsContact O-N 3.08Å; E271-T274 PolarHBondContact O-OG1 2.86Å; E271-T274 VanDerWaalsContact O-OG1 3.09Å; T274-Q276 PolarHBondContact O-N 2.82Å; T274-Q276 VanDerWaalsContact O-N 3.08Å; T274-V277 PolarHBondContact O-N 3.41Å; T274-I278 HydrophobicContact CG2-CG2 4.28Å; T274-I278 WeakPolarHBondContact O-CG2 3.39Å; T274-I278 PolarHBondContact O-N 3.25Å; T274-I278 VanDerWaalsContact O-N 3.13Å; T274-L346 HydrophobicContact CG2-CD1 4.16Å; T274-F350 HydrophobicContact CG2-CE1 3.7Å; T274-F350 HydrophobicContact CG2-CZ 4.26Å
275D90.8Very high91.9Very high44 Ų4435.5 Ų35.524%0.23520%0.195CC..Hα-helixtrans-60.9-16.5174.764.3-47.2000115R185 S273 K279 L346R185-D275 IonicContact CZ-OD1 3.93Å; R185-D275 IonicContact CZ-OD2 3.43Å; R185-D275 IonicContact NH1-OD1 3.42Å; R185-D275 PolarHBondContact NH1-OD1 2.97Å; R185-D275 IonicContact NH1-OD2 3.46Å; R185-D275 PolarHBondContact NH1-OD2 2.98Å; R185-D275 IonicContact NH2-OD1 3.86Å; R185-D275 PolarHBondContact NH2-OD1 3.37Å; R185-D275 IonicContact NH2-OD2 2.76Å; R185-D275 PolarHBondContact NH2-OD2 3.07Å; S273-D275 PolarHBondContact O-N 3.35Å; D275-K279 WeakPolarHBondContact O-CE 3.31Å; D275-K279 PolarHBondContact O-NZ 3.35Å; D275-L346 HydrophobicContact CB-CD1 4.23Å; D275-L346 HydrophobicContact CB-CD2 3.87Å
276Q93.8Very high92.1Very high34 Ų3436 Ų3616%0.15920%0.198CC..Hα-helixtrans-94.3-44.6176.6-58.1-178.8-83.800111.1R185 S273 T274 I278 K279 Y282R185-Q276 VanDerWaalsContact NH1-CD 3.32Å; S273-Q276 WeakPolarHBondContact O-CA 3.5Å; S273-Q276 WeakPolarHBondContact O-CB 3.46Å; S273-Q276 PolarHBondContact O-N 2.76Å; T274-Q276 PolarHBondContact O-N 2.82Å; T274-Q276 VanDerWaalsContact O-N 3.08Å; Q276-I278 VanDerWaalsContact C-N 3.29Å; Q276-I278 PolarHBondContact O-N 3.13Å; Q276-K279 WeakPolarHBondContact O-CB 3.41Å; Q276-K279 PolarHBondContact O-N 2.93Å; Q276-Y282 WeakPolarHBondContact CB-OH 3.35Å
277V94.8Very high92.3Very high6 Ų635.8 Ų35.84%0.03619%0.194CC..Hα-helixtrans-75.3-16.2-175.2174.30000112.9T72 L73 A76 H257 L267 S273 T274 K279T72-V277 HydrophobicContact CG2-CG2 3.91Å; L73-V277 HydrophobicContact CB-CG2 4.44Å; A76-V277 HydrophobicContact CB-CG1 3.39Å; H257-V277 PolarHBondContact CD2-O 3.22Å; H257-V277 PolarHBondContact NE2-O 3.49Å; L267-V277 HydrophobicContact CD1-CG1 4.45Å; L267-V277 HydrophobicContact CD2-CG1 4.11Å; S273-V277 PolarHBondContact O-N 2.76Å; T274-V277 PolarHBondContact O-N 3.41Å; V277-K279 PolarHBondContact O-N 2.85Å
278I94.4Very high92.7Very high1 Ų140.2 Ų40.21%0.00522%0.217CC..THydrogen-bonded Turntrans-68.9-16.4174.262.3163.2000113.4I261 L267 T274 Q276 W342 K345 L346 I349I261-I278 HydrophobicContact CG2-CG2 4.1Å; L267-I278 HydrophobicContact CD1-CG2 3.55Å; T274-I278 HydrophobicContact CG2-CG2 4.28Å; T274-I278 WeakPolarHBondContact O-CG2 3.39Å; T274-I278 PolarHBondContact O-N 3.25Å; T274-I278 VanDerWaalsContact O-N 3.13Å; Q276-I278 VanDerWaalsContact C-N 3.29Å; Q276-I278 PolarHBondContact O-N 3.13Å; I278-W342 WeakPolarHBondContact CD1-O 3.46Å; I278-W342 WeakPolarHBondContact O-CZ3 3.42Å; I278-K345 PolarHBondContact O-NZ 3.25Å; I278-L346 HydrophobicContact CD1-CB 3.77Å; I278-L346 HydrophobicContact CD1-CD1 4.07Å; I278-L346 HydrophobicContact CD1-CG 4.44Å; I278-I349 HydrophobicContact CB-CD1 4.32Å; I278-I349 HydrophobicContact CG2-CD1 3.41Å; I278-I349 VanDerWaalsContact CG2-CD1 3.41Å
279K95Very high93.2Very high61 Ų6139.6 Ų39.627%0.26521%0.212SC..SBendtrans-97.5157.9-172.9-59.5173.3-179.6167.70110.8H257 D275 Q276 V277 Y282 L336 W342H257-K279 PolarHBondContact NE2-O 3.42Å; D275-K279 WeakPolarHBondContact O-CE 3.31Å; D275-K279 PolarHBondContact O-NZ 3.35Å; Q276-K279 WeakPolarHBondContact O-CB 3.41Å; Q276-K279 PolarHBondContact O-N 2.93Å; V277-K279 PolarHBondContact O-N 2.85Å; K279-Y282 HydrophobicContact CB-CD1 4.44Å; K279-Y282 HydrophobicContact CB-CE1 4.2Å; K279-Y282 HydrophobicContact CD-CE1 4.23Å; K279-L336 HydrophobicContact CB-CD2 3.77Å; K279-L336 HydrophobicContact CD-CD2 4.06Å; K279-L336 HydrophobicContact CG-CD2 4.17Å; K279-W342 HydrophobicContact CG-CD2 4.1Å; K279-W342 HydrophobicContact CG-CE3 4.16Å; K279-W342 HydrophobicContact CG-CG 4.31Å
280P95.4Very high93.8Very high2 Ų238.4 Ų38.41%0.01321%0.211CC..PPolyproline II helixtrans-57.1167.8169.4-17.926.8000111.8E258 Y282 K332 E335 W342E258-P280 HydrophobicContact CG-CB 4.31Å; E258-P280 HydrophobicContact CG-CG 3.99Å; P280-Y282 WeakPolarHBondContact O-CD1 3.22Å; P280-K332 HydrophobicContact CB-CB 3.84Å; P280-K332 HydrophobicContact CB-CD 4.25Å; P280-K332 HydrophobicContact CB-CG 4.16Å; P280-E335 HydrophobicContact CG-CB 4.28Å; P280-W342 VanDerWaalsContact CD-CH2 3.42Å; P280-W342 HydrophobicContact CG-CH2 4.05Å; P280-W342 HydrophobicContact CG-CZ2 3.85Å
281L95.9Very high94.3Very high4 Ų435.8 Ų35.82%0.02121%0.208CC..PPolyproline II helixtrans-58.9138.1173-67.3166.6000111.9L73 M77 P235L73-L281 HydrophobicContact CD1-CD2 3.97Å; L73-L281 HydrophobicContact CD2-CD2 3.89Å; L73-L281 HydrophobicContact CG-CD2 4.36Å; M77-L281 HydrophobicContact CE-CD1 4.19Å; M77-L281 HydrophobicContact CE-CD2 4.49Å; M77-L281 HydrophobicContact SD-CD2 4.05Å; P235-L281 HydrophobicContact CB-CD1 3.38Å; P235-L281 HydrophobicContact CG-CD1 3.66Å
282Y95.1Very high94.8Very high28 Ų2840.9 Ų40.911%0.1123%0.23CC..  trans-153.4160.5178.664.1-98.6000111.3Q276 K279 P280 S284 S285 L336Q276-Y282 WeakPolarHBondContact CB-OH 3.35Å; K279-Y282 HydrophobicContact CB-CD1 4.44Å; K279-Y282 HydrophobicContact CB-CE1 4.2Å; K279-Y282 HydrophobicContact CD-CE1 4.23Å; P280-Y282 WeakPolarHBondContact O-CD1 3.22Å; Y282-S284 VanDerWaalsContact CD2-OG 3.29Å; Y282-S284 WeakPolarHBondContact CD2-OG 3.48Å; Y282-S285 WeakPolarHBondContact CE2-OG 3.29Å; Y282-L336 HydrophobicContact CD1-CD1 3.86Å; Y282-L336 HydrophobicContact CD1-CD2 4.37Å; Y282-L336 HydrophobicContact CG-CD1 3.75Å
283T96.4Very high95.2Very high44 Ų4436.1 Ų36.127%0.2721%0.21SC..SBendtrans-112.7-6.6-172.254.20000114.1V232 L233 S285 L286 A325 V329V232-T283 HydrophobicContact CG2-CG2 4.39Å; L233-T283 HydrophobicContact CD2-CG2 3.79Å; T283-S285 PolarHBondContact O-N 2.95Å; T283-L286 HydrophobicContact CG2-CD1 4.25Å; T283-L286 VanDerWaalsContact O-CB 3.28Å; T283-L286 WeakPolarHBondContact O-CB 3.29Å; T283-L286 VanDerWaalsContact O-CG 3.24Å; T283-L286 WeakPolarHBondContact O-CG 3.3Å; T283-L286 PolarHBondContact O-N 2.83Å; T283-A325 HydrophobicContact CG2-CB 3.97Å; T283-V329 HydrophobicContact CG2-CG1 3.88Å
284S93.4Very high95.5Very high75 Ų7538 Ų3852%0.52422%0.221SC..THydrogen-bonded Turntrans-59.9-22.1-178.459.60000113.8Y282 L286 L288Y282-S284 VanDerWaalsContact CD2-OG 3.29Å; Y282-S284 WeakPolarHBondContact CD2-OG 3.48Å; S284-L286 VanDerWaalsContact C-N 3.29Å; S284-L286 PolarHBondContact O-N 2.78Å; S284-L288 WeakPolarHBondContact O-CG 3.33Å
285S94.1Very high95.7Very high5 Ų544 Ų444%0.03526%0.258CS..THydrogen-bonded Turntrans-76.3-8175.545.50000115.2R173 Y228 Y282 T283R173-S285 PolarHBondContact NH2-O 3.36Å; Y228-S285 PolarHBondContact OH-OG 3.06Å; Y282-S285 WeakPolarHBondContact CE2-OG 3.29Å; T283-S285 PolarHBondContact O-N 2.95Å
286L97.1Very high96Very high10 Ų1045.8 Ų45.85%0.05227%0.268CS..SBendtrans-67.6-40.5-179.7-66.9-179.5000111.8Y228 E229 V232 L233 T283 S284 W289 Y322Y228-L286 HydrophobicContact CD1-CD2 4.07Å; Y228-L286 HydrophobicContact CE1-CD2 3.79Å; E229-L286 HydrophobicContact CB-CD2 4.4Å; E229-L286 HydrophobicContact CG-CD2 4Å; V232-L286 HydrophobicContact CG2-CD1 4.17Å; V232-L286 HydrophobicContact CG2-CD2 3.81Å; V232-L286 HydrophobicContact CG2-CG 4.19Å; L233-L286 HydrophobicContact CD1-CD1 4.41Å; L233-L286 HydrophobicContact CD2-CD1 4.11Å; L233-L286 HydrophobicContact CG-CD1 4.21Å; T283-L286 HydrophobicContact CG2-CD1 4.25Å; T283-L286 VanDerWaalsContact O-CB 3.28Å; T283-L286 WeakPolarHBondContact O-CB 3.29Å; T283-L286 VanDerWaalsContact O-CG 3.24Å; T283-L286 WeakPolarHBondContact O-CG 3.3Å; T283-L286 PolarHBondContact O-N 2.83Å; S284-L286 VanDerWaalsContact C-N 3.29Å; S284-L286 PolarHBondContact O-N 2.78Å; L286-W289 PolarHBondContact O-NE1 3.17Å; L286-W289 VanDerWaalsContact O-NE1 3.15Å; L286-Y322 HydrophobicContact CB-CD2 3.85Å; L286-Y322 HydrophobicContact CB-CE2 3.87Å; L286-Y322 HydrophobicContact CD1-CD2 4.11Å; L286-Y322 HydrophobicContact CD2-CD2 4.42Å; L286-Y322 HydrophobicContact CG-CD2 4.35Å
287T96.2Very high96.2Very high64 Ų6444.3 Ų44.339%0.39326%0.261SS..SBendtrans-1128.3-170.954.50000114.5W289 V290 P320T287-W289 PolarHBondContact O-N 2.95Å; T287-V290 VanDerWaalsContact O-CB 3.28Å; T287-V290 WeakPolarHBondContact O-CB 3.43Å; T287-V290 WeakPolarHBondContact O-CG2 3.32Å; T287-V290 PolarHBondContact O-N 3.5Å; T287-P320 HydrophobicContact CG2-CG 4.47Å
288L96.2Very high96.4Very high104 Ų10445.7 Ų45.755%0.54527%0.27SS..THydrogen-bonded Turntrans-58-21.5179.7-73.7176.5000114.4H180 S284 K292H180-L288 PolarHBondContact NE2-O 3.37Å; S284-L288 WeakPolarHBondContact O-CG 3.33Å; L288-K292 WeakPolarHBondContact O-CG 3.28Å
289W97.3Very high96.5Very high4 Ų452.5 Ų52.52%0.01530%0.301CS..THydrogen-bonded Turntrans-79.5-18.5179.166.6-95.6000113.6R176 A177 H180 L286 T287 G291 K292 I293 N318 P320 Y322R176-W289 HydrophobicContact CB-CD2 3.63Å; R176-W289 HydrophobicContact CB-CE3 3.76Å; R176-W289 HydrophobicContact CB-CG 4.14Å; R176-W289 HydrophobicContact CB-CH2 4.18Å; R176-W289 HydrophobicContact CB-CZ2 4Å; R176-W289 HydrophobicContact CB-CZ3 4.07Å; R176-W289 VanDerWaalsContact CD-CH2 3.46Å; R176-W289 HydrophobicContact CG-CE3 4.49Å; R176-W289 HydrophobicContact CG-CH2 4.4Å; R176-W289 HydrophobicContact CG-CZ3 4.36Å; A177-W289 VanDerWaalsContact CA-CD1 3.47Å; A177-W289 VanDerWaalsContact CB-CD1 3.46Å; A177-W289 HydrophobicContact CB-CG 4.37Å; H180-W289 HydrophobicContact CB-CB 3.51Å; L286-W289 PolarHBondContact O-NE1 3.17Å; L286-W289 VanDerWaalsContact O-NE1 3.15Å; T287-W289 PolarHBondContact O-N 2.95Å; W289-G291 PolarHBondContact O-N 2.99Å; W289-K292 WeakPolarHBondContact O-CB 3.37Å; W289-K292 PolarHBondContact O-N 3.01Å; W289-I293 HydrophobicContact CE3-CD1 3.78Å; W289-I293 HydrophobicContact CE3-CG1 4.43Å; W289-I293 HydrophobicContact CZ3-CD1 4.31Å; W289-N318 HydrophobicContact CH2-CB 4.49Å; W289-P320 HydrophobicContact CH2-CG 4.45Å; W289-P320 HydrophobicContact CZ2-CB 4.23Å; W289-P320 VanDerWaalsContact CZ2-CD 3.42Å; W289-P320 HydrophobicContact CZ2-CG 3.54Å; W289-Y322 PolarHBondContact NE1-OH 3.04Å
290V97.6Very high96.7Very high49 Ų4951.2 Ų51.230%0.29730%0.297SS..THydrogen-bonded Turntrans-59.1125.9-178.2170.10000109.5T287 K292 N318 P319T287-V290 VanDerWaalsContact O-CB 3.28Å; T287-V290 WeakPolarHBondContact O-CB 3.43Å; T287-V290 WeakPolarHBondContact O-CG2 3.32Å; T287-V290 PolarHBondContact O-N 3.5Å; V290-K292 VanDerWaalsContact C-N 3.29Å; V290-K292 PolarHBondContact O-N 2.94Å; V290-N318 WeakPolarHBondContact CG1-OD1 3.05Å; V290-P319 HydrophobicContact CG1-CB 4.48Å; V290-P319 HydrophobicContact CG2-CB 3.95Å
291G96.4Very high96.8Very high67 Ų6751.2 Ų51.269%0.69130%0.297SS*.THydrogen-bonded Turntrans73.59.9-176.800000115.7W289W289-G291 PolarHBondContact O-N 2.99Å
292K97.6Very high96.9Very high127 Ų12752.2 Ų52.255%0.55231%0.308SS*.THydrogen-bonded Turntrans-105.9-18.1179.1-55.9-58.7-177.5-1730114.6L288 W289 V290L288-K292 WeakPolarHBondContact O-CG 3.28Å; W289-K292 WeakPolarHBondContact O-CB 3.37Å; W289-K292 PolarHBondContact O-N 3.01Å; V290-K292 VanDerWaalsContact C-N 3.29Å; V290-K292 PolarHBondContact O-N 2.94Å
293I97.9Very high97.1Very high12 Ų1259.8 Ų59.86%0.06234%0.336CS..SBendtrans-87.3134.2-179.7-56.7-179.5000108.7R176 Y197 W289 V297 V298 M301R176-I293 HydrophobicContact CB-CD1 3.72Å; R176-I293 HydrophobicContact CG-CD1 3.93Å; Y197-I293 HydrophobicContact CD1-CB 4.45Å; Y197-I293 HydrophobicContact CD1-CG1 3.92Å; Y197-I293 HydrophobicContact CD1-CG2 4.25Å; Y197-I293 HydrophobicContact CE1-CG1 3.86Å; Y197-I293 HydrophobicContact CG-CG2 4.41Å; W289-I293 HydrophobicContact CE3-CD1 3.78Å; W289-I293 HydrophobicContact CE3-CG1 4.43Å; W289-I293 HydrophobicContact CZ3-CD1 4.31Å; I293-V297 HydrophobicContact CG2-CB 3.9Å; I293-V297 HydrophobicContact CG2-CG1 3.86Å; I293-V298 HydrophobicContact CB-CG2 3.82Å; I293-V298 HydrophobicContact CG2-CG2 3.8Å; I293-M301 HydrophobicContact CD1-CE 4.11Å; I293-M301 HydrophobicContact CG2-CE 4.21Å
294P97.9Very high97.2Very high56 Ų5658.1 Ų58.136%0.36433%0.326SS..  trans-52.7142.5176.5-27.835.6000113.1Y197 D296 V297 V298Y197-P294 HydrophobicContact CD2-CG 4.23Å; P294-D296 VanDerWaalsContact C-N 3.32Å; P294-D296 WeakPolarHBondContact CB-OD1 3.32Å; P294-D296 PolarHBondContact O-N 2.93Å; P294-V297 HydrophobicContact CB-CG2 4.15Å; P294-V297 WeakPolarHBondContact O-CB 3.13Å; P294-V297 PolarHBondContact O-N 3.4Å; P294-V298 WeakPolarHBondContact O-CG2 3.27Å; P294-V298 PolarHBondContact O-N 3.2Å
295T96.9Very high97.4Very high126 Ų12654.6 Ų54.677%0.77330%0.301SS*.Hα-helixtrans-62.1-36.5-172.148.30000113.1V297 V298 H299T295-V297 VanDerWaalsContact C-N 3.3Å; T295-V297 PolarHBondContact O-N 3.31Å; T295-V298 PolarHBondContact O-N 2.91Å; T295-H299 WeakPolarHBondContact O-CB 3.27Å; T295-H299 PolarHBondContact O-N 3.3Å
296D97.6Very high97.6Very high82 Ų8257.8 Ų57.844%0.43932%0.322SS..Hα-helixtrans-64.4-34.5175.669.9-63.4000112.2R198 P294 D300R198-D296 IonicContact CZ-OD2 2.66Å; R198-D296 IonicContact NE-OD2 3.12Å; R198-D296 VanDerWaalsContact NH2-C 3.34Å; R198-D296 PolarHBondContact NH2-O 3.42Å; R198-D296 VanDerWaalsContact NH2-O 3.07Å; R198-D296 IonicContact NH2-OD2 2.72Å; R198-D296 PolarHBondContact NH2-OD2 3.24Å; P294-D296 VanDerWaalsContact C-N 3.32Å; P294-D296 WeakPolarHBondContact CB-OD1 3.32Å; P294-D296 PolarHBondContact O-N 2.93Å; D296-D300 WeakPolarHBondContact O-CB 3.48Å; D296-D300 PolarHBondContact O-N 3.17Å
297V98.1Very high97.7Very high4 Ų458.2 Ų58.22%0.02432%0.324CS..Hα-helixtrans-76.2-38.2176.9-177.20000110.8R198 L201 I293 P294 T295 D300 M301R198-V297 HydrophobicContact CB-CG1 4.44Å; R198-V297 HydrophobicContact CB-CG2 3.88Å; L201-V297 HydrophobicContact CD1-CG1 3.64Å; I293-V297 HydrophobicContact CG2-CB 3.9Å; I293-V297 HydrophobicContact CG2-CG1 3.86Å; P294-V297 HydrophobicContact CB-CG2 4.15Å; P294-V297 WeakPolarHBondContact O-CB 3.13Å; P294-V297 PolarHBondContact O-N 3.4Å; T295-V297 VanDerWaalsContact C-N 3.3Å; T295-V297 PolarHBondContact O-N 3.31Å; V297-D300 CarbonylContact O-C 3.56Å; V297-D300 PolarHBondContact O-N 2.98Å; V297-M301 HydrophobicContact CG1-CE 4.43Å; V297-M301 WeakPolarHBondContact O-CA 3.29Å; V297-M301 PolarHBondContact O-N 3.4Å
298V97.6Very high97.8Very high35 Ų3555.1 Ų55.121%0.21231%0.305CS..Hα-helixtrans-62.9-44.5173.7174.30000111I293 P294 T295 D300 M301I293-V298 HydrophobicContact CB-CG2 3.82Å; I293-V298 HydrophobicContact CG2-CG2 3.8Å; P294-V298 WeakPolarHBondContact O-CG2 3.27Å; P294-V298 PolarHBondContact O-N 3.2Å; T295-V298 PolarHBondContact O-N 2.91Å; V298-D300 VanDerWaalsContact C-N 3.31Å; V298-D300 PolarHBondContact O-N 2.96Å; V298-M301 VanDerWaalsContact O-CB 3.27Å; V298-M301 WeakPolarHBondContact O-CB 3.26Å; V298-M301 PolarHBondContact O-N 3.01Å
299H97.3Very high97.9Very high144 Ų14453 Ų5367%0.66730%0.303SS*.Hα-helixtrans-57.5-45.5175.9177.2-86.3000111.6T295 M301T295-H299 WeakPolarHBondContact O-CB 3.27Å; T295-H299 PolarHBondContact O-N 3.3Å; H299-M301 VanDerWaalsContact C-N 3.31Å; H299-M301 PolarHBondContact O-N 3.02Å
300D98Very high98Very high34 Ų3458.6 Ų58.618%0.18233%0.327CS..THydrogen-bonded Turntrans-87.59.1-177.8-71.4-4.2000114.3R198 D296 V297 V298 G302 R303 V304R198-D300 IonicContact CZ-OD2 3.57Å; R198-D300 IonicContact NH1-OD2 2.63Å; R198-D300 PolarHBondContact NH1-OD2 3.48Å; R198-D300 IonicContact NH2-OD2 3.38Å; R198-D300 PolarHBondContact NH2-OD2 3.23Å; D296-D300 WeakPolarHBondContact O-CB 3.48Å; D296-D300 PolarHBondContact O-N 3.17Å; V297-D300 CarbonylContact O-C 3.56Å; V297-D300 PolarHBondContact O-N 2.98Å; V298-D300 VanDerWaalsContact C-N 3.31Å; V298-D300 PolarHBondContact O-N 2.96Å; D300-G302 VanDerWaalsContact C-N 3.33Å; D300-G302 PolarHBondContact O-N 3.44Å; D300-G302 VanDerWaalsContact O-N 3.17Å; D300-R303 WeakPolarHBondContact O-CA 3.36Å; D300-R303 WeakPolarHBondContact O-CB 3.25Å; D300-R303 PolarHBondContact O-N 3.05Å; D300-R303 IonicContact OD2-CZ 3.82Å; D300-R303 IonicContact OD2-NH2 2.76Å; D300-R303 PolarHBondContact OD2-NH2 3.16Å; D300-V304 HydrophobicContact CB-CG2 3.91Å; D300-V304 WeakPolarHBondContact O-CG2 3.24Å; D300-V304 PolarHBondContact O-N 3.15Å
301M98.4Very high98Very high2 Ų256.6 Ų56.61%0.0132%0.315CS..Hα-helixtrans-53.6-45.4-164.7-174.164.263.500113.4R176 L201 I293 V297 V298 H299 R303 V304 A305 L308 P315R176-M301 HydrophobicContact CG-CE 3.8Å; R176-M301 HydrophobicContact CG-SD 3.8Å; L201-M301 HydrophobicContact CD1-CE 3.83Å; L201-M301 HydrophobicContact CD1-SD 3.85Å; L201-M301 HydrophobicContact CD2-SD 4.31Å; I293-M301 HydrophobicContact CD1-CE 4.11Å; I293-M301 HydrophobicContact CG2-CE 4.21Å; V297-M301 HydrophobicContact CG1-CE 4.43Å; V297-M301 WeakPolarHBondContact O-CA 3.29Å; V297-M301 PolarHBondContact O-N 3.4Å; V298-M301 VanDerWaalsContact O-CB 3.27Å; V298-M301 WeakPolarHBondContact O-CB 3.26Å; V298-M301 PolarHBondContact O-N 3.01Å; H299-M301 VanDerWaalsContact C-N 3.31Å; H299-M301 PolarHBondContact O-N 3.02Å; M301-R303 VanDerWaalsContact C-N 3.25Å; M301-R303 PolarHBondContact O-N 3.45Å; M301-V304 PolarHBondContact O-N 2.98Å; M301-A305 PolarHBondContact O-N 2.9Å; M301-A305 HydrophobicContact SD-CB 4.37Å; M301-L308 HydrophobicContact CG-CD1 3.57Å; M301-L308 HydrophobicContact SD-CD1 3.69Å; M301-P315 HydrophobicContact CB-CB 4.43Å; M301-P315 WeakPolarHBondContact CB-O 3.3Å; M301-P315 HydrophobicContact CG-CB 4.1Å; M301-P315 WeakPolarHBondContact CG-O 3.27Å
302G97.9Very high98.1Very high25 Ų2556.7 Ų56.726%0.25832%0.316SS..Hα-helixtrans-60.9-32.5179.200000113.6D300 P306D300-G302 VanDerWaalsContact C-N 3.33Å; D300-G302 PolarHBondContact O-N 3.44Å; D300-G302 VanDerWaalsContact O-N 3.17Å; G302-P306 WeakPolarHBondContact O-CA 3.34Å
303R98.3Very high98.1Very high186 Ų18651.5 Ų51.570%0.70229%0.293SS*.Hα-helixtrans-81.2-38.7176.9-176175.966.8107.5-3.9112.1D300 M301D300-R303 WeakPolarHBondContact O-CA 3.36Å; D300-R303 WeakPolarHBondContact O-CB 3.25Å; D300-R303 PolarHBondContact O-N 3.05Å; D300-R303 IonicContact OD2-CZ 3.82Å; D300-R303 IonicContact OD2-NH2 2.76Å; D300-R303 PolarHBondContact OD2-NH2 3.16Å; M301-R303 VanDerWaalsContact C-N 3.25Å; M301-R303 PolarHBondContact O-N 3.45Å
304V98.5Very high98.1Very high10 Ų1055 Ų556%0.06131%0.312CS..Hα-helixtrans-70-40.5179.7172.60000111R198 L201 T202 D300 M301R198-V304 HydrophobicContact CG-CG1 4.16Å; R198-V304 HydrophobicContact CG-CG2 3.99Å; L201-V304 HydrophobicContact CB-CG1 3.59Å; T202-V304 WeakPolarHBondContact CA-O 3.45Å; D300-V304 HydrophobicContact CB-CG2 3.91Å; D300-V304 WeakPolarHBondContact O-CG2 3.24Å; D300-V304 PolarHBondContact O-N 3.15Å; M301-V304 PolarHBondContact O-N 2.98Å
305A98.5Very high98.1Very high0 Ų053.1 Ų53.10%030%0.3CS..  trans-133.965.4-173.400000112.4L201 W204 M301 M307 L308L201-A305 HydrophobicContact CB-CB 4.35Å; L201-A305 HydrophobicContact CD2-CB 4.47Å; W204-A305 HydrophobicContact CE3-CB 4.07Å; W204-A305 HydrophobicContact CZ3-CB 4Å; M301-A305 PolarHBondContact O-N 2.9Å; M301-A305 HydrophobicContact SD-CB 4.37Å; A305-M307 PolarHBondContact O-N 3.22Å; A305-L308 HydrophobicContact CB-CD1 3.86Å; A305-L308 HydrophobicContact CB-CG 4.13Å; A305-L308 WeakPolarHBondContact O-CB 3.23Å; A305-L308 PolarHBondContact O-N 3.32Å
306P98.5Very high98Very high73 Ų7352.8 Ų52.847%0.47429%0.289SS..THydrogen-bonded Turntrans-59.3-23.1-177.523.6-35.6000114S205 G302 L308 A309 F310S205-P306 WeakPolarHBondContact OG-CD 3.02Å; G302-P306 WeakPolarHBondContact O-CA 3.34Å; P306-L308 PolarHBondContact O-N 3.1Å; P306-A309 PolarHBondContact O-N 2.91Å; P306-F310 PolarHBondContact O-N 3.46Å
307M98.6Very high97.9Very high18 Ų1850 Ų509%0.08928%0.276CS..Hα-helixtrans-63.1-18.1173.9-74.5-58.1-66.200113.7W204 S205 V208 A209 A305 F310 L311W204-M307 HydrophobicContact CH2-CB 3.96Å; W204-M307 HydrophobicContact CZ3-CB 3.82Å; S205-M307 VanDerWaalsContact O-CG 3.25Å; S205-M307 WeakPolarHBondContact O-CG 3.28Å; S205-M307 WeakPolarHBondContact OG-CB 3.48Å; S205-M307 WeakPolarHBondContact OG-CG 3.28Å; S205-M307 PolarHBondContact OG-N 2.9Å; V208-M307 HydrophobicContact CG1-CE 4.08Å; A209-M307 HydrophobicContact CB-CE 4.31Å; A209-M307 HydrophobicContact CB-CG 3.87Å; A209-M307 HydrophobicContact CB-SD 3.69Å; A305-M307 PolarHBondContact O-N 3.22Å; M307-F310 HydrophobicContact CE-CD1 3.43Å; M307-F310 VanDerWaalsContact CE-CD1 3.43Å; M307-F310 HydrophobicContact CE-CE1 3.96Å; M307-F310 HydrophobicContact CE-CG 4.24Å; M307-F310 HydrophobicContact SD-CB 4.16Å; M307-F310 HydrophobicContact SD-CD1 3.89Å; M307-F310 HydrophobicContact SD-CG 4.13Å; M307-L311 HydrophobicContact CB-CD1 4.34Å; M307-L311 HydrophobicContact CE-CD1 4.11Å; M307-L311 HydrophobicContact CE-CD2 4.09Å; M307-L311 HydrophobicContact CE-CG 3.96Å; M307-L311 VanDerWaalsContact O-CB 3.27Å; M307-L311 WeakPolarHBondContact O-CB 3.45Å; M307-L311 WeakPolarHBondContact O-CD1 3.49Å; M307-L311 WeakPolarHBondContact O-CG 3.46Å; M307-L311 PolarHBondContact O-N 2.94Å
308L98.7Very high97.6Very high0 Ų053.1 Ų53.10%029%0.293CS..Hα-helixtrans-58.7-58.8171.9-73.4170.6000110.4D174 R176 W204 M301 A305 P306 F310 L311 G312 Y313 P315D174-L308 WeakPolarHBondContact OD1-CD2 3.3Å; R176-L308 HydrophobicContact CG-CD1 4.16Å; W204-L308 HydrophobicContact CH2-CD2 3.74Å; W204-L308 HydrophobicContact CH2-CG 3.97Å; W204-L308 HydrophobicContact CZ3-CD2 4.06Å; W204-L308 HydrophobicContact CZ3-CG 3.84Å; M301-L308 HydrophobicContact CG-CD1 3.57Å; M301-L308 HydrophobicContact SD-CD1 3.69Å; A305-L308 HydrophobicContact CB-CD1 3.86Å; A305-L308 HydrophobicContact CB-CG 4.13Å; A305-L308 WeakPolarHBondContact O-CB 3.23Å; A305-L308 PolarHBondContact O-N 3.32Å; P306-L308 PolarHBondContact O-N 3.1Å; L308-F310 VanDerWaalsContact C-N 3.34Å; L308-F310 PolarHBondContact O-N 3.47Å; L308-L311 PolarHBondContact O-N 3.08Å; L308-G312 PolarHBondContact O-N 2.97Å; L308-Y313 CarbonylContact C-O 3.44Å; L308-Y313 VanDerWaalsContact C-O 3.27Å; L308-Y313 HydrophobicContact CD2-CD2 4.22Å; L308-Y313 HydrophobicContact CD2-CG 4.28Å; L308-Y313 WeakPolarHBondContact O-CB 3.39Å; L308-Y313 WeakPolarHBondContact O-CD2 3.39Å; L308-Y313 PolarHBondContact O-N 3.42Å; L308-P315 HydrophobicContact CB-CB 4.34Å; L308-P315 HydrophobicContact CD1-CB 4.33Å
309A98.5Very high97.4Very high59 Ų5955.7 Ų55.749%0.48831%0.31SS..Hα-helixtrans-60.5-43.5179.400000111.7P306 L311 G312 Y313 P315P306-A309 PolarHBondContact O-N 2.91Å; A309-L311 VanDerWaalsContact C-N 3.25Å; A309-L311 PolarHBondContact O-N 3.32Å; A309-G312 PolarHBondContact O-N 2.82Å; A309-Y313 VanDerWaalsContact CA-O 3.29Å; A309-Y313 WeakPolarHBondContact CA-O 3.43Å; A309-Y313 PolarHBondContact N-O 3.34Å; A309-P315 HydrophobicContact CB-CG 4.46Å
310F98.5Very high97.3Very high122 Ų12249.5 Ų49.554%0.53528%0.283SS..Hα-helixtrans-59.1-35.5178.1-178.8-91.3000113Y212 P306 M307 L308 G312Y212-F310 AromaticContact CD1-CE1 3.79Å; Y212-F310 HydrophobicContact CD1-CE1 3.79Å; Y212-F310 HydrophobicContact CD1-CZ 4.14Å; Y212-F310 HydrophobicContact CD2-CE1 4.21Å; Y212-F310 AromaticContact CE1-CE1 3.51Å; Y212-F310 HydrophobicContact CE1-CE1 3.51Å; Y212-F310 AromaticContact CE1-CZ 3.6Å; Y212-F310 HydrophobicContact CE1-CZ 3.6Å; Y212-F310 AromaticContact CE2-CE1 3.96Å; Y212-F310 HydrophobicContact CE2-CE1 3.96Å; Y212-F310 HydrophobicContact CG-CE1 4.14Å; Y212-F310 AromaticContact CZ-CE1 3.61Å; Y212-F310 AromaticContact CZ-CZ 3.94Å; P306-F310 PolarHBondContact O-N 3.46Å; M307-F310 HydrophobicContact CE-CD1 3.43Å; M307-F310 VanDerWaalsContact CE-CD1 3.43Å; M307-F310 HydrophobicContact CE-CE1 3.96Å; M307-F310 HydrophobicContact CE-CG 4.24Å; M307-F310 HydrophobicContact SD-CB 4.16Å; M307-F310 HydrophobicContact SD-CD1 3.89Å; M307-F310 HydrophobicContact SD-CG 4.13Å; L308-F310 VanDerWaalsContact C-N 3.34Å; L308-F310 PolarHBondContact O-N 3.47Å; F310-G312 VanDerWaalsContact C-N 3.31Å
311L98.4Very high97.2Very high6 Ų654.8 Ų54.83%0.03131%0.311CS..THydrogen-bonded Turntrans-88.35.1179.7-64.9168.2000113.4I172 W204 V208 Y212 Y227 M307 L308 A309 Y313I172-L311 HydrophobicContact CD1-CD2 4.17Å; I172-L311 HydrophobicContact CG2-CD1 3.96Å; I172-L311 HydrophobicContact CG2-CD2 4.4Å; W204-L311 HydrophobicContact CH2-CD1 4.26Å; W204-L311 HydrophobicContact CZ2-CD1 4.36Å; V208-L311 HydrophobicContact CG1-CD1 3.62Å; Y212-L311 HydrophobicContact CD2-CD2 4.02Å; Y212-L311 HydrophobicContact CE2-CD2 4.25Å; Y227-L311 HydrophobicContact CE1-CB 4.47Å; Y227-L311 VanDerWaalsContact CE1-O 3.27Å; Y227-L311 WeakPolarHBondContact CE1-O 3.49Å; Y227-L311 PolarHBondContact OH-O 3.49Å; M307-L311 HydrophobicContact CB-CD1 4.34Å; M307-L311 HydrophobicContact CE-CD1 4.11Å; M307-L311 HydrophobicContact CE-CD2 4.09Å; M307-L311 HydrophobicContact CE-CG 3.96Å; M307-L311 VanDerWaalsContact O-CB 3.27Å; M307-L311 WeakPolarHBondContact O-CB 3.45Å; M307-L311 WeakPolarHBondContact O-CD1 3.49Å; M307-L311 WeakPolarHBondContact O-CG 3.46Å; M307-L311 PolarHBondContact O-N 2.94Å; L308-L311 PolarHBondContact O-N 3.08Å; A309-L311 VanDerWaalsContact C-N 3.25Å; A309-L311 PolarHBondContact O-N 3.32Å; L311-Y313 HydrophobicContact CB-CD2 3.8Å; L311-Y313 HydrophobicContact CB-CE2 3.73Å; L311-Y313 HydrophobicContact CD1-CE2 4.45Å
312G98.1Very high97.2Very high70 Ų7056 Ų5672%0.72232%0.316SS*.THydrogen-bonded Turntrans90.69.7177.900000115.3L308 A309 F310L308-G312 PolarHBondContact O-N 2.97Å; A309-G312 PolarHBondContact O-N 2.82Å; F310-G312 VanDerWaalsContact C-N 3.31Å
313Y98.1Very high97.1Very high17 Ų1756.7 Ų56.77%0.06732%0.324CS..  trans-89.7131.3172.2-54.9-81.9000110.3I172 D174 Y227 E229 L308 A309 L311 P315 Y322I172-Y313 HydrophobicContact CG2-CE2 4.26Å; D174-Y313 HydrophobicContact CB-CD1 3.99Å; D174-Y313 HydrophobicContact CB-CE1 3.74Å; D174-Y313 PolarHBondContact N-OH 3.33Å; Y227-Y313 HydrophobicContact CD1-CE2 4.42Å; Y227-Y313 AromaticContact CD1-CZ 3.89Å; Y227-Y313 WeakPolarHBondContact CD1-OH 3.42Å; Y227-Y313 AromaticContact CE1-CE2 4Å; Y227-Y313 HydrophobicContact CE1-CE2 4Å; Y227-Y313 AromaticContact CE1-CZ 3.92Å; E229-Y313 HydrophobicContact CG-CE1 4.39Å; E229-Y313 PolarHBondContact OE2-OH 2.96Å; E229-Y313 VanDerWaalsContact OE2-OH 3.07Å; L308-Y313 CarbonylContact C-O 3.44Å; L308-Y313 VanDerWaalsContact C-O 3.27Å; L308-Y313 HydrophobicContact CD2-CD2 4.22Å; L308-Y313 HydrophobicContact CD2-CG 4.28Å; L308-Y313 WeakPolarHBondContact O-CB 3.39Å; L308-Y313 WeakPolarHBondContact O-CD2 3.39Å; L308-Y313 PolarHBondContact O-N 3.42Å; A309-Y313 VanDerWaalsContact CA-O 3.29Å; A309-Y313 WeakPolarHBondContact CA-O 3.43Å; A309-Y313 PolarHBondContact N-O 3.34Å; L311-Y313 HydrophobicContact CB-CD2 3.8Å; L311-Y313 HydrophobicContact CB-CE2 3.73Å; L311-Y313 HydrophobicContact CD1-CE2 4.45Å; Y313-P315 VanDerWaalsContact O-CD 3.22Å; Y313-P315 WeakPolarHBondContact O-CD 3.4Å; Y313-Y322 AromaticContact CD1-CE1 3.93Å; Y313-Y322 HydrophobicContact CD1-CE1 3.93Å; Y313-Y322 HydrophobicContact CE1-CD1 4.4Å; Y313-Y322 AromaticContact CE1-CE1 3.91Å; Y313-Y322 HydrophobicContact CE1-CE1 3.91Å
314D97.8Very high97Very high85 Ų8556.6 Ų56.646%0.45533%0.328SS..  trans-68.6113.7167.6172.66.8000109.3R176 H316 S317R176-D314 PolarHBondContact NH1-O 2.95Å; R176-D314 PolarHBondContact NH2-O 3.09Å; D314-H316 PolarHBondContact O-N 2.57Å; D314-H316 PolarHBondContact OD1-N 2.95Å; D314-S317 PolarHBondContact O-N 2.69Å; D314-S317 PolarHBondContact O-OG 2.89Å; D314-S317 PolarHBondContact OD1-N 3.28Å; D314-S317 WeakPolarHBondContact OD2-CB 3.25Å; D314-S317 PolarHBondContact OD2-N 3.13Å
315P97.5Very high97Very high17 Ų1757.1 Ų57.111%0.1133%0.333CS..THydrogen-bonded Turntrans-63.3-22.2-178.527-34.4000113.2R176 M301 L308 A309 Y313R176-P315 PolarHBondContact NH1-O 3.47Å; R176-P315 VanDerWaalsContact NH1-O 3.14Å; M301-P315 HydrophobicContact CB-CB 4.43Å; M301-P315 WeakPolarHBondContact CB-O 3.3Å; M301-P315 HydrophobicContact CG-CB 4.1Å; M301-P315 WeakPolarHBondContact CG-O 3.27Å; L308-P315 HydrophobicContact CB-CB 4.34Å; L308-P315 HydrophobicContact CD1-CB 4.33Å; A309-P315 HydrophobicContact CB-CG 4.46Å; Y313-P315 VanDerWaalsContact O-CD 3.22Å; Y313-P315 WeakPolarHBondContact O-CD 3.4Å
316H95.1Very high96.9Very high119 Ų11959.7 Ų59.755%0.55135%0.347SS*.THydrogen-bonded Turntrans-98.6-13.8-177.7-60-66000113.7D314 N318D314-H316 PolarHBondContact O-N 2.57Å; D314-H316 PolarHBondContact OD1-N 2.95Å; H316-N318 PolarHBondContact O-N 3.02Å
317S95.3Very high96.9Very high23 Ų2361 Ų6116%0.16135%0.35CS..  trans-60.2120.6174.562.60000112R176 D314R176-S317 PolarHBondContact NH1-O 3.14Å; D314-S317 PolarHBondContact O-N 2.69Å; D314-S317 PolarHBondContact O-OG 2.89Å; D314-S317 PolarHBondContact OD1-N 3.28Å; D314-S317 WeakPolarHBondContact OD2-CB 3.25Å; D314-S317 PolarHBondContact OD2-N 3.13Å
318N92.4Very high96.7Very high70 Ų7063 Ų6337%0.37436%0.361SS..SBendtrans-15494.3178.6-170.48.2000110.2W289 V290 H316W289-N318 HydrophobicContact CH2-CB 4.49Å; V290-N318 WeakPolarHBondContact CG1-OD1 3.05Å; H316-N318 PolarHBondContact O-N 3.02Å
319P94.1Very high96.7Very high90 Ų9063 Ų6358%0.58436%0.361SS*.SBendcis-74.2155.67.632-36.3000113.2V290V290-P319 HydrophobicContact CG1-CB 4.48Å; V290-P319 HydrophobicContact CG2-CB 3.95Å
320P94.7Very high96.5Very high14 Ų1467 Ų679%0.09136%0.364CS..PPolyproline II helixtrans-73.9150.7169.735-39000111.1T287 W289 Y322T287-P320 HydrophobicContact CG2-CG 4.47Å; W289-P320 HydrophobicContact CH2-CG 4.45Å; W289-P320 HydrophobicContact CZ2-CB 4.23Å; W289-P320 VanDerWaalsContact CZ2-CD 3.42Å; W289-P320 HydrophobicContact CZ2-CG 3.54Å; P320-Y322 HydrophobicContact CB-CD1 4.39Å; P320-Y322 HydrophobicContact CB-CD2 4.45Å; P320-Y322 HydrophobicContact CB-CE1 3.83Å; P320-Y322 HydrophobicContact CB-CE2 3.91Å; P320-Y322 HydrophobicContact CG-CD2 4.04Å; P320-Y322 HydrophobicContact CG-CE1 4.06Å; P320-Y322 HydrophobicContact CG-CE2 3.25Å; P320-Y322 VanDerWaalsContact CG-OH 3.27Å; P320-Y322 WeakPolarHBondContact CG-OH 3.22Å
321D96.3Very high96.3Very high145 Ų14566.2 Ų66.278%0.77536%0.364SS*.PPolyproline II helixtrans-100117.8163.4-173.84.2000109.2G323D321-G323 PolarHBondContact OD1-N 3.11Å
322Y96.9Very high96.1Very high26 Ų2666.3 Ų66.310%0.10236%0.364CS..  trans-104.6-3.5177.6-60-59.6000112.8D174 E229 L233 L286 W289 Y313 P320D174-Y322 HydrophobicContact CB-CE1 4.1Å; D174-Y322 VanDerWaalsContact CB-OH 3.26Å; D174-Y322 WeakPolarHBondContact CB-OH 3.47Å; D174-Y322 PolarHBondContact OD2-OH 3.42Å; E229-Y322 HydrophobicContact CB-CD1 4.27Å; E229-Y322 HydrophobicContact CB-CG 4.34Å; E229-Y322 HydrophobicContact CG-CD1 3.48Å; E229-Y322 VanDerWaalsContact CG-CD1 3.48Å; E229-Y322 HydrophobicContact CG-CD2 4.31Å; E229-Y322 HydrophobicContact CG-CE1 3.74Å; E229-Y322 HydrophobicContact CG-CG 3.78Å; L233-Y322 WeakPolarHBondContact CD1-O 3.45Å; L286-Y322 HydrophobicContact CB-CD2 3.85Å; L286-Y322 HydrophobicContact CB-CE2 3.87Å; L286-Y322 HydrophobicContact CD1-CD2 4.11Å; L286-Y322 HydrophobicContact CD2-CD2 4.42Å; L286-Y322 HydrophobicContact CG-CD2 4.35Å; W289-Y322 PolarHBondContact NE1-OH 3.04Å; Y313-Y322 AromaticContact CD1-CE1 3.93Å; Y313-Y322 HydrophobicContact CD1-CE1 3.93Å; Y313-Y322 HydrophobicContact CE1-CD1 4.4Å; Y313-Y322 AromaticContact CE1-CE1 3.91Å; Y313-Y322 HydrophobicContact CE1-CE1 3.91Å; P320-Y322 HydrophobicContact CB-CD1 4.39Å; P320-Y322 HydrophobicContact CB-CD2 4.45Å; P320-Y322 HydrophobicContact CB-CE1 3.83Å; P320-Y322 HydrophobicContact CB-CE2 3.91Å; P320-Y322 HydrophobicContact CG-CD2 4.04Å; P320-Y322 HydrophobicContact CG-CE1 4.06Å; P320-Y322 HydrophobicContact CG-CE2 3.25Å; P320-Y322 VanDerWaalsContact CG-OH 3.27Å; P320-Y322 WeakPolarHBondContact CG-OH 3.22Å
323G96.2Very high95.7Very high41 Ų4164.6 Ų64.642%0.42334%0.343SS..  trans102.3-179-171.200000114D321D321-G323 PolarHBondContact OD1-N 3.11Å
324K96.8Very high95.4Very high184 Ų18470.4 Ų70.480%0.837%0.369SS*.  trans-104132.7-175.1-67179.7-178.51740110.6H234H234-K324 PolarHBondContact CE1-O 2.88Å
325A97.3Very high94.9Very high20 Ų2070.7 Ų70.717%0.16537%0.367CS..  trans-69.7142.4179.900000112.3L233 T283 V329 R330L233-A325 HydrophobicContact CD2-CB 3.75Å; T283-A325 HydrophobicContact CG2-CB 3.97Å; A325-V329 HydrophobicContact CB-CB 4.15Å; A325-V329 HydrophobicContact CB-CG1 4.18Å; A325-R330 HydrophobicContact CB-CG 4.18Å
326D98Very high94.5Very high54 Ų5471.7 Ų71.729%0.28937%0.372SS..  trans-60.1155.8171.9-68.9-15.4000112.1L233 H234 L328 V329 R330L233-D326 PolarHBondContact O-N 3.5Å; H234-D326 VanDerWaalsContact CA-OD2 3.32Å; H234-D326 WeakPolarHBondContact CA-OD2 3.42Å; H234-D326 IonicContact CE1-OD1 2.84Å; H234-D326 PolarHBondContact CE1-OD1 3.33Å; H234-D326 IonicContact CG-OD1 3.73Å; H234-D326 IonicContact ND1-OD1 3.63Å; H234-D326 PolarHBondContact ND1-OD1 3.06Å; H234-D326 IonicContact ND1-OD2 2.6Å; D326-L328 PolarHBondContact O-N 3.26Å; D326-V329 PolarHBondContact O-N 2.95Å; D326-R330 WeakPolarHBondContact O-CG 3.29Å; D326-R330 PolarHBondContact O-N 3.28Å
327D97.1Very high94.1Very high101 Ų10172.6 Ų72.654%0.5438%0.38SS..Hα-helixtrans-54-40.3177.7-71.114.6000112.1V329 R330 L331D327-V329 VanDerWaalsContact C-N 3.29Å; D327-V329 PolarHBondContact O-N 3.22Å; D327-R330 PolarHBondContact O-N 3.37Å; D327-R330 IonicContact OD1-CZ 3.84Å; D327-R330 IonicContact OD1-NE 3Å; D327-R330 PolarHBondContact OD1-NE 2.89Å; D327-R330 IonicContact OD1-NH2 3.29Å; D327-R330 PolarHBondContact OD1-NH2 3.41Å; D327-R330 IonicContact OD2-NH2 2.73Å; D327-L331 WeakPolarHBondContact O-CB 3.35Å; D327-L331 VanDerWaalsContact O-CG 3.23Å; D327-L331 WeakPolarHBondContact O-CG 3.16Å; D327-L331 PolarHBondContact O-N 2.61Å
328L96.1Very high93.8Very high59 Ų5975.6 Ų75.631%0.30940%0.395SS..Hα-helixtrans-52.9-47.3175.4176.763.7000111.8P235 L255 D326 K332P235-L328 HydrophobicContact CG-CD2 4.13Å; L255-L328 HydrophobicContact CD1-CD2 3.96Å; D326-L328 PolarHBondContact O-N 3.26Å; L328-K332 HydrophobicContact CD1-CD 4.32Å; L328-K332 HydrophobicContact CG-CD 4.43Å; L328-K332 WeakPolarHBondContact O-CB 3.38Å; L328-K332 WeakPolarHBondContact O-CG 3.27Å; L328-K332 PolarHBondContact O-N 3.32Å
329V96.8Very high93.5Very high1 Ų177.3 Ų77.31%0.00641%0.407CS..Hα-helixtrans-70.6-42.5-179.3-1790000110.3V232 P235 T283 A325 D326 D327 L331 K332 A333V232-V329 WeakPolarHBondContact O-CG1 3.24Å; V232-V329 WeakPolarHBondContact O-CG2 3.37Å; P235-V329 VanDerWaalsContact CD-CG2 3.48Å; P235-V329 HydrophobicContact CG-CG2 3.68Å; T283-V329 HydrophobicContact CG2-CG1 3.88Å; A325-V329 HydrophobicContact CB-CB 4.15Å; A325-V329 HydrophobicContact CB-CG1 4.18Å; D326-V329 PolarHBondContact O-N 2.95Å; D327-V329 VanDerWaalsContact C-N 3.29Å; D327-V329 PolarHBondContact O-N 3.22Å; V329-L331 VanDerWaalsContact C-N 3.28Å; V329-L331 PolarHBondContact O-N 2.73Å; V329-K332 PolarHBondContact O-N 3.06Å; V329-A333 WeakPolarHBondContact O-CB 3.39Å; V329-A333 PolarHBondContact O-N 3.19Å
330R94.9Very high93.3Very high144 Ų14477.7 Ų77.754%0.54341%0.408SS..Hα-helixtrans-61.9-36.9177.6-62.1-170.6-62.2162.40.3112A325 D326 D327A325-R330 HydrophobicContact CB-CG 4.18Å; D326-R330 WeakPolarHBondContact O-CG 3.29Å; D326-R330 PolarHBondContact O-N 3.28Å; D327-R330 PolarHBondContact O-N 3.37Å; D327-R330 IonicContact OD1-CZ 3.84Å; D327-R330 IonicContact OD1-NE 3Å; D327-R330 PolarHBondContact OD1-NE 2.89Å; D327-R330 IonicContact OD1-NH2 3.29Å; D327-R330 PolarHBondContact OD1-NH2 3.41Å; D327-R330 IonicContact OD2-NH2 2.73Å
331L94.9Very high93.2Very high104 Ų10481.6 Ų81.655%0.54542%0.423SS..Hα-helixtrans-70.6-48.6175.7-70.2171.3000111.4D327 V329 A333 K334D327-L331 WeakPolarHBondContact O-CB 3.35Å; D327-L331 VanDerWaalsContact O-CG 3.23Å; D327-L331 WeakPolarHBondContact O-CG 3.16Å; D327-L331 PolarHBondContact O-N 2.61Å; V329-L331 VanDerWaalsContact C-N 3.28Å; V329-L331 PolarHBondContact O-N 2.73Å; L331-A333 VanDerWaalsContact C-N 3.27Å; L331-A333 PolarHBondContact O-N 3.26Å; L331-K334 WeakPolarHBondContact O-CB 3.28Å; L331-K334 PolarHBondContact O-N 3.29Å
332K93.7Very high92.9Very high9 Ų975.5 Ų75.54%0.03939%0.39CS..Hα-helixtrans-58.3-37.3175.2-81.7179.2177.6-90.90112.6L255 N256 E258 P280 L328 V329 K334 E335L255-K332 VanDerWaalsContact O-CE 3.23Å; L255-K332 WeakPolarHBondContact O-CE 3.32Å; L255-K332 PolarHBondContact O-NZ 3.27Å; N256-K332 PolarHBondContact OD1-NZ 3.37Å; E258-K332 IonicContact OE1-NZ 2.66Å; E258-K332 PolarHBondContact OE1-NZ 2.96Å; E258-K332 IonicContact OE2-NZ 3.02Å; P280-K332 HydrophobicContact CB-CB 3.84Å; P280-K332 HydrophobicContact CB-CD 4.25Å; P280-K332 HydrophobicContact CB-CG 4.16Å; L328-K332 HydrophobicContact CD1-CD 4.32Å; L328-K332 HydrophobicContact CG-CD 4.43Å; L328-K332 WeakPolarHBondContact O-CB 3.38Å; L328-K332 WeakPolarHBondContact O-CG 3.27Å; L328-K332 PolarHBondContact O-N 3.32Å; V329-K332 PolarHBondContact O-N 3.06Å; K332-K334 PolarHBondContact O-N 3Å; K332-E335 VanDerWaalsContact O-CB 3.3Å; K332-E335 WeakPolarHBondContact O-CB 3.36Å; K332-E335 PolarHBondContact O-N 2.86Å
333A90.8Very high92.5Very high33 Ų3382.7 Ų82.727%0.27342%0.417SS..Hα-helixtrans-60.6-28.1177.300000113V329 L331 E335 L336V329-A333 WeakPolarHBondContact O-CB 3.39Å; V329-A333 PolarHBondContact O-N 3.19Å; L331-A333 VanDerWaalsContact C-N 3.27Å; L331-A333 PolarHBondContact O-N 3.26Å; A333-E335 VanDerWaalsContact C-N 3.27Å; A333-E335 PolarHBondContact O-N 2.99Å; A333-L336 VanDerWaalsContact O-CB 3.29Å; A333-L336 WeakPolarHBondContact O-CB 3.4Å; A333-L336 WeakPolarHBondContact O-CG 3.48Å; A333-L336 PolarHBondContact O-N 2.94Å
334K90.4Very high92.3Very high140 Ų14085.2 Ų85.261%0.60942%0.42SS*.Hα-helixtrans-66.8-28175.5-62.8177.5-179.1178.80112.4L331 K332 L336 N337L331-K334 WeakPolarHBondContact O-CB 3.28Å; L331-K334 PolarHBondContact O-N 3.29Å; K332-K334 PolarHBondContact O-N 3Å; K334-L336 PolarHBondContact O-N 3.41Å; K334-N337 PolarHBondContact O-N 2.85Å; K334-N337 PolarHBondContact O-ND2 3.31Å
335E88.4Confident91.9Very high91 Ų9178 Ų7843%0.42539%0.389SS..G310 helixtrans-68.5-17.3176.6-57.1178.3-162.400112.6P280 K332 A333 N337 N338 W342P280-E335 HydrophobicContact CG-CB 4.28Å; K332-E335 VanDerWaalsContact O-CB 3.3Å; K332-E335 WeakPolarHBondContact O-CB 3.36Å; K332-E335 PolarHBondContact O-N 2.86Å; A333-E335 VanDerWaalsContact C-N 3.27Å; A333-E335 PolarHBondContact O-N 2.99Å; E335-N337 PolarHBondContact O-N 3.01Å; E335-N338 PolarHBondContact O-N 2.99Å; E335-W342 PolarHBondContact O-NE1 2.99Å
336L88.6Confident91.5Very high38 Ų3878.8 Ų78.820%0.19939%0.39CS..G310 helixtrans-68.5-18.2177.4-62.6-175.7000113.9K279 Y282 A333 K334 N338K279-L336 HydrophobicContact CB-CD2 3.77Å; K279-L336 HydrophobicContact CD-CD2 4.06Å; K279-L336 HydrophobicContact CG-CD2 4.17Å; Y282-L336 HydrophobicContact CD1-CD1 3.86Å; Y282-L336 HydrophobicContact CD1-CD2 4.37Å; Y282-L336 HydrophobicContact CG-CD1 3.75Å; A333-L336 VanDerWaalsContact O-CB 3.29Å; A333-L336 WeakPolarHBondContact O-CB 3.4Å; A333-L336 WeakPolarHBondContact O-CG 3.48Å; A333-L336 PolarHBondContact O-N 2.94Å; K334-L336 PolarHBondContact O-N 3.41Å; L336-N338 PolarHBondContact O-N 3.37Å; L336-N338 VanDerWaalsContact O-N 3.14Å
337N86.7Confident91Very high137 Ų13780 Ų8073%0.73340%0.396SS*.G310 helixtrans-63.2-19.5179.7-68.8-16.2000112.6K334 E335 V339K334-N337 PolarHBondContact O-N 2.85Å; K334-N337 PolarHBondContact O-ND2 3.31Å; E335-N337 PolarHBondContact O-N 3.01Å; N337-V339 PolarHBondContact O-N 2.98Å
338N88Confident90.5Very high87 Ų8779.6 Ų79.647%0.46539%0.391SS..  trans-80.466.5175-162.8-15.6000112E335 L336 V340 F341 W342E335-N338 PolarHBondContact O-N 2.99Å; L336-N338 PolarHBondContact O-N 3.37Å; L336-N338 VanDerWaalsContact O-N 3.14Å; N338-V340 VanDerWaalsContact C-N 3.28Å; N338-V340 PolarHBondContact O-N 2.81Å; N338-F341 HydrophobicContact CB-CB 4.02Å; N338-F341 WeakPolarHBondContact ND2-CB 3.46Å; N338-F341 WeakPolarHBondContact O-CB 3.37Å; N338-F341 PolarHBondContact O-N 2.88Å; N338-F341 WeakPolarHBondContact OD1-CB 3.29Å; N338-F341 PolarHBondContact OD1-N 3.39Å; N338-F341 VanDerWaalsContact OD1-N 3.15Å; N338-W342 PolarHBondContact O-N 3.44Å
339V87.5Confident89.9Confident105 Ų10577.6 Ų77.664%0.63638%0.38SS*.Hα-helixtrans-57.8-39.5-175.9179.30000112.2N337 W342 R343N337-V339 PolarHBondContact O-N 2.98Å; V339-W342 PolarHBondContact O-N 3.01Å; V339-R343 WeakPolarHBondContact O-CB 3.4Å; V339-R343 PolarHBondContact O-N 2.88Å
340V90.2Very high89.3Confident98 Ų9880.8 Ų80.859%0.59439%0.394SS*.Hα-helixtrans-63.9-44.3179.51780000110.9N338 W342 R343 N344N338-V340 VanDerWaalsContact C-N 3.28Å; N338-V340 PolarHBondContact O-N 2.81Å; V340-W342 PolarHBondContact O-N 2.89Å; V340-R343 PolarHBondContact O-N 3.44Å; V340-N344 PolarHBondContact O-N 3.26Å
341F91.8Very high88.7Confident96 Ų9677.2 Ų77.242%0.42139%0.386SS..Hα-helixtrans-58.5-49.4176.1172.6-99.8000112.1N338 R343 N344 K345N338-F341 HydrophobicContact CB-CB 4.02Å; N338-F341 WeakPolarHBondContact ND2-CB 3.46Å; N338-F341 WeakPolarHBondContact O-CB 3.37Å; N338-F341 PolarHBondContact O-N 2.88Å; N338-F341 WeakPolarHBondContact OD1-CB 3.29Å; N338-F341 PolarHBondContact OD1-N 3.39Å; N338-F341 VanDerWaalsContact OD1-N 3.15Å; F341-R343 VanDerWaalsContact C-N 3.32Å; F341-R343 PolarHBondContact O-N 3.36Å; F341-N344 PolarHBondContact O-N 3.41Å; F341-K345 HydrophobicContact CE1-CD 4.32Å; F341-K345 HydrophobicContact CZ-CD 4.44Å; F341-K345 WeakPolarHBondContact O-CB 3.45Å; F341-K345 PolarHBondContact O-N 2.84Å
342W89Confident87.5Confident18 Ų1878.8 Ų78.87%0.06839%0.385CS..Hα-helixtrans-65.6-35-179.1-63.9116.8000112.7I278 K279 P280 E335 N338 V339 V340 K345 L346I278-W342 WeakPolarHBondContact CD1-O 3.46Å; I278-W342 WeakPolarHBondContact O-CZ3 3.42Å; K279-W342 HydrophobicContact CG-CD2 4.1Å; K279-W342 HydrophobicContact CG-CE3 4.16Å; K279-W342 HydrophobicContact CG-CG 4.31Å; P280-W342 VanDerWaalsContact CD-CH2 3.42Å; P280-W342 HydrophobicContact CG-CH2 4.05Å; P280-W342 HydrophobicContact CG-CZ2 3.85Å; E335-W342 PolarHBondContact O-NE1 2.99Å; N338-W342 PolarHBondContact O-N 3.44Å; V339-W342 PolarHBondContact O-N 3.01Å; V340-W342 PolarHBondContact O-N 2.89Å; W342-K345 HydrophobicContact CE3-CD 3.9Å; W342-K345 HydrophobicContact CZ3-CD 3.69Å; W342-L346 PolarHBondContact O-N 2.72Å
343R89.6Confident85.7Confident177 Ų17780.3 Ų80.367%0.66840%0.396SS*.Hα-helixtrans-63.7-46.7172.8-177.1178179.9162.6-0111.6V339 V340 F341 L346 I347V339-R343 WeakPolarHBondContact O-CB 3.4Å; V339-R343 PolarHBondContact O-N 2.88Å; V340-R343 PolarHBondContact O-N 3.44Å; F341-R343 VanDerWaalsContact C-N 3.32Å; F341-R343 PolarHBondContact O-N 3.36Å; R343-L346 WeakPolarHBondContact O-CB 3.27Å; R343-L346 PolarHBondContact O-N 2.87Å; R343-I347 HydrophobicContact CG-CD1 4.21Å; R343-I347 WeakPolarHBondContact O-CG1 3.22Å; R343-I347 PolarHBondContact O-N 3.19Å; R343-I347 VanDerWaalsContact O-N 3.08Å
344N91.7Very high83.6Confident94 Ų9487 Ų8750%0.50341%0.414SS..Hα-helixtrans-65.1-41.6179.1-71.3-12000111.7V340 F341 L346 I347 E348V340-N344 PolarHBondContact O-N 3.26Å; F341-N344 PolarHBondContact O-N 3.41Å; N344-L346 VanDerWaalsContact C-N 3.32Å; N344-L346 PolarHBondContact O-N 3.31Å; N344-I347 PolarHBondContact O-N 3.14Å; N344-E348 PolarHBondContact O-N 3.17Å
345K88.7Confident81.3Confident32 Ų3287.3 Ų87.314%0.13942%0.422CS..Hα-helixtrans-59.7-41.2174.7-168.5179.8-175.7-173.80112E258 I278 F341 W342 E348 I349E258-K345 PolarHBondContact O-NZ 3.2Å; I278-K345 PolarHBondContact O-NZ 3.25Å; F341-K345 HydrophobicContact CE1-CD 4.32Å; F341-K345 HydrophobicContact CZ-CD 4.44Å; F341-K345 WeakPolarHBondContact O-CB 3.45Å; F341-K345 PolarHBondContact O-N 2.84Å; W342-K345 HydrophobicContact CE3-CD 3.9Å; W342-K345 HydrophobicContact CZ3-CD 3.69Å; K345-E348 PolarHBondContact O-N 3.27Å; K345-I349 HydrophobicContact CG-CD1 4.22Å; K345-I349 WeakPolarHBondContact O-CD1 3.49Å; K345-I349 VanDerWaalsContact O-CG1 3.29Å; K345-I349 WeakPolarHBondContact O-CG1 3.47Å; K345-I349 PolarHBondContact O-N 3.26Å; K345-I349 VanDerWaalsContact O-N 3.08Å
346L88.1Confident78.9Confident37 Ų3787.1 Ų87.119%0.19443%0.431CS..Hα-helixtrans-62.6-44.3175.3-173.362000111.9T274 D275 I278 W342 R343 N344 E348 I349 F350T274-L346 HydrophobicContact CG2-CD1 4.16Å; D275-L346 HydrophobicContact CB-CD1 4.23Å; D275-L346 HydrophobicContact CB-CD2 3.87Å; I278-L346 HydrophobicContact CD1-CB 3.77Å; I278-L346 HydrophobicContact CD1-CD1 4.07Å; I278-L346 HydrophobicContact CD1-CG 4.44Å; W342-L346 PolarHBondContact O-N 2.72Å; R343-L346 WeakPolarHBondContact O-CB 3.27Å; R343-L346 PolarHBondContact O-N 2.87Å; N344-L346 VanDerWaalsContact C-N 3.32Å; N344-L346 PolarHBondContact O-N 3.31Å; L346-E348 VanDerWaalsContact C-N 3.34Å; L346-E348 PolarHBondContact O-N 3.28Å; L346-I349 PolarHBondContact O-N 3.34Å; L346-F350 HydrophobicContact CD1-CD1 4.31Å; L346-F350 HydrophobicContact CD1-CD2 4.37Å; L346-F350 HydrophobicContact CD1-CE1 3.8Å; L346-F350 HydrophobicContact CD1-CE2 3.85Å; L346-F350 HydrophobicContact CD1-CZ 3.55Å; L346-F350 HydrophobicContact CD2-CE2 4.27Å; L346-F350 HydrophobicContact CG-CD2 4.18Å; L346-F350 HydrophobicContact CG-CE2 3.9Å; L346-F350 HydrophobicContact CG-CZ 4.14Å; L346-F350 WeakPolarHBondContact O-CB 3.4Å; L346-F350 WeakPolarHBondContact O-CG 3.38Å; L346-F350 PolarHBondContact O-N 3.4Å
347I88.4Confident76.5Confident79 Ų7997 Ų9741%0.40547%0.473SS..Hα-helixtrans-61.3-43176.7-67.7165.6000110.7R343 N344 F350 N351R343-I347 HydrophobicContact CG-CD1 4.21Å; R343-I347 WeakPolarHBondContact O-CG1 3.22Å; R343-I347 PolarHBondContact O-N 3.19Å; R343-I347 VanDerWaalsContact O-N 3.08Å; N344-I347 PolarHBondContact O-N 3.14Å; I347-F350 CarbonylContact O-C 3.42Å; I347-F350 PolarHBondContact O-N 2.84Å; I347-N351 WeakPolarHBondContact CG2-ND2 3.49Å; I347-N351 WeakPolarHBondContact O-CB 3.49Å; I347-N351 VanDerWaalsContact O-CG 3.29Å; I347-N351 PolarHBondContact O-N 3.04Å; I347-N351 PolarHBondContact O-ND2 3.41Å
348E87.2Confident76Confident93 Ų9395.1 Ų95.144%0.43546%0.46SS..Hα-helixtrans-59.7-49.1177.8-171.2-170.8165.900111.6N344 K345 L346 F350 N351 R352N344-E348 PolarHBondContact O-N 3.17Å; K345-E348 PolarHBondContact O-N 3.27Å; L346-E348 VanDerWaalsContact C-N 3.34Å; L346-E348 PolarHBondContact O-N 3.28Å; E348-F350 VanDerWaalsContact C-N 3.28Å; E348-F350 PolarHBondContact O-N 2.95Å; E348-N351 PolarHBondContact O-N 2.92Å; E348-R352 WeakPolarHBondContact O-CG 3.31Å; E348-R352 PolarHBondContact O-N 3.05Å; E348-R352 IonicContact OE1-CZ 3.57Å; E348-R352 IonicContact OE1-NE 2.64Å; E348-R352 PolarHBondContact OE1-NE 3.07Å; E348-R352 IonicContact OE1-NH2 3.62Å; E348-R352 PolarHBondContact OE1-NH2 2.76Å
349I83.5Confident75.3Confident17 Ų1795.5 Ų95.59%0.08746%0.46CS..Hα-helixtrans-59.5-42.7176.9-66.1162.7000110.4I261 L267 I278 K345 L346 N351I261-I349 HydrophobicContact CG2-CD1 3.38Å; I261-I349 HydrophobicContact CG2-CG1 4.2Å; L267-I349 HydrophobicContact CB-CG2 4.5Å; I278-I349 HydrophobicContact CB-CD1 4.32Å; I278-I349 HydrophobicContact CG2-CD1 3.41Å; I278-I349 VanDerWaalsContact CG2-CD1 3.41Å; K345-I349 HydrophobicContact CG-CD1 4.22Å; K345-I349 WeakPolarHBondContact O-CD1 3.49Å; K345-I349 VanDerWaalsContact O-CG1 3.29Å; K345-I349 WeakPolarHBondContact O-CG1 3.47Å; K345-I349 PolarHBondContact O-N 3.26Å; K345-I349 VanDerWaalsContact O-N 3.08Å; L346-I349 PolarHBondContact O-N 3.34Å; I349-N351 PolarHBondContact O-N 2.99Å
350F83.1Confident74.6Confident67 Ų6794.9 Ų94.929%0.29445%0.45SS..Hα-helixtrans-73.3-10.4177-70.1-2.1000113.8K269 T274 L346 I347 E348K269-F350 HydrophobicContact CB-CD1 4.33Å; K269-F350 HydrophobicContact CB-CE1 4.33Å; K269-F350 WeakPolarHBondContact CE-O 3.48Å; K269-F350 HydrophobicContact CG-CB 4.48Å; K269-F350 HydrophobicContact CG-CD1 3.62Å; K269-F350 HydrophobicContact CG-CE1 4.09Å; K269-F350 HydrophobicContact CG-CG 4.19Å; K269-F350 PolarHBondContact NZ-O 3.4Å; T274-F350 HydrophobicContact CG2-CE1 3.7Å; T274-F350 HydrophobicContact CG2-CZ 4.26Å; L346-F350 HydrophobicContact CD1-CD1 4.31Å; L346-F350 HydrophobicContact CD1-CD2 4.37Å; L346-F350 HydrophobicContact CD1-CE1 3.8Å; L346-F350 HydrophobicContact CD1-CE2 3.85Å; L346-F350 HydrophobicContact CD1-CZ 3.55Å; L346-F350 HydrophobicContact CD2-CE2 4.27Å; L346-F350 HydrophobicContact CG-CD2 4.18Å; L346-F350 HydrophobicContact CG-CE2 3.9Å; L346-F350 HydrophobicContact CG-CZ 4.14Å; L346-F350 WeakPolarHBondContact O-CB 3.4Å; L346-F350 WeakPolarHBondContact O-CG 3.38Å; L346-F350 PolarHBondContact O-N 3.4Å; I347-F350 CarbonylContact O-C 3.42Å; I347-F350 PolarHBondContact O-N 2.84Å; E348-F350 VanDerWaalsContact C-N 3.28Å; E348-F350 PolarHBondContact O-N 2.95Å
351N82.4Confident73.7Confident69 Ų6994.8 Ų94.837%0.36944%0.442SS..Hα-helixtrans-99.4-34.8173.5-73.7-22.2000112.2I347 E348 I349 S353 R354I347-N351 WeakPolarHBondContact CG2-ND2 3.49Å; I347-N351 WeakPolarHBondContact O-CB 3.49Å; I347-N351 VanDerWaalsContact O-CG 3.29Å; I347-N351 PolarHBondContact O-N 3.04Å; I347-N351 PolarHBondContact O-ND2 3.41Å; E348-N351 PolarHBondContact O-N 2.92Å; I349-N351 PolarHBondContact O-N 2.99Å; N351-S353 VanDerWaalsContact C-N 3.32Å; N351-S353 PolarHBondContact O-N 3.45Å; N351-R354 WeakPolarHBondContact O-CB 3.22Å; N351-R354 PolarHBondContact O-N 2.72Å; N351-R354 PolarHBondContact OD1-NH2 3.42Å
352R70.1Confident72.6Confident138 Ų13894.7 Ų94.752%0.52144%0.443SS..Hα-helixtrans-55.5-42.3178.4-78.3-176.4-177.6-153.5-0.5113.3G262 E348 R354 N355G262-R352 PolarHBondContact O-NH1 3.38Å; E348-R352 WeakPolarHBondContact O-CG 3.31Å; E348-R352 PolarHBondContact O-N 3.05Å; E348-R352 IonicContact OE1-CZ 3.57Å; E348-R352 IonicContact OE1-NE 2.64Å; E348-R352 PolarHBondContact OE1-NE 3.07Å; E348-R352 IonicContact OE1-NH2 3.62Å; E348-R352 PolarHBondContact OE1-NH2 2.76Å; R352-R354 PolarHBondContact O-N 3.22Å; R352-R354 VanDerWaalsContact O-N 3.11Å; R352-N355 PolarHBondContact O-N 2.9Å; R352-N355 VanDerWaalsContact O-N 3.13Å
353S56.2Low71.5Confident40 Ų4099.8 Ų99.828%0.2847%0.468SS..THydrogen-bonded Turntrans-78.714.8177.756.60000114.7K269 N351K269-S353 VanDerWaalsContact CD-OG 3.23Å; K269-S353 WeakPolarHBondContact CD-OG 3.41Å; K269-S353 WeakPolarHBondContact CE-OG 3.49Å; K269-S353 PolarHBondContact NZ-O 3.05Å; K269-S353 PolarHBondContact NZ-OG 3.33Å; N351-S353 VanDerWaalsContact C-N 3.32Å; N351-S353 PolarHBondContact O-N 3.45Å
354R46Very low70.2Confident175 Ų17594.3 Ų94.366%0.6645%0.454SS*.THydrogen-bonded Turntrans-86.8-22160.5-67.5-167.4-145.4-168.57.1112.6N351 R352N351-R354 WeakPolarHBondContact O-CB 3.22Å; N351-R354 PolarHBondContact O-N 2.72Å; N351-R354 PolarHBondContact OD1-NH2 3.42Å; R352-R354 PolarHBondContact O-N 3.22Å; R352-R354 VanDerWaalsContact O-N 3.11Å
355N41.7Very low68.6Low145 Ų14594.3 Ų94.378%0.77545%0.45SS*.SBendtrans-104.115-172.6-66.9-1000113.3R352R352-N355 PolarHBondContact O-N 2.9Å; R352-N355 VanDerWaalsContact O-N 3.13Å
356S38.9Very low66.9Low87 Ų8799.5 Ų99.561%0.60848%0.476SS*.  trans-115.120.6178.871.50000113.6
357F37.1Very low65Low247 Ų247105.2 Ų105.2100%1.08350%0.502SS*.  trans-117.10162.6-65.5-81.6000107.2

Retrieved 357 of 357 residues in 655.4 ms (Link to these results)

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