A0A061ID74_CRIGR Loading...

Inositol 1,4,5-triphosphate receptor interacting protein-like 2

AlphaFold DB , UniProt , Accession A0A061ID74, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Itpripl2, Length 535 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
1M36Very low44.5Very low249 Ų249148.5 Ų148.5100%1.22775%0.746SS**  0107.90-74-169.3161.200108.7
2S34.3Very low46Very low105 Ų105143 Ų14373%0.73471%0.714SS**  trans-124.5105.1172.370.70000108.7R4S2-R4 PolarHBondContact O-N 2.83Å
3V34Very low47.3Very low121 Ų121141.2 Ų141.273%0.73369%0.694SS**  trans-76.1104.1175.21800000107.6Y5V3-Y5 HydrophobicContact CG1-CD2 4.27Å; V3-Y5 HydrophobicContact CG1-CE2 4.15Å; V3-Y5 PolarHBondContact O-N 3.16Å
4R36Very low48.5Very low225 Ų225136.4 Ų136.485%0.84968%0.679SS**  trans-77.1106.1168.5-75.5-177.6179171.6-0.2108S2 T6S2-R4 PolarHBondContact O-N 2.83Å; R4-T6 PolarHBondContact O-N 2.8Å; R4-T6 VanDerWaalsContact O-N 3.16Å
5Y42.8Very low49.5Very low211 Ų211132.7 Ų132.783%0.82767%0.666SS**  trans-65.8109.4169.4-82.6-92.4000109.4V3 L7V3-Y5 HydrophobicContact CG1-CD2 4.27Å; V3-Y5 HydrophobicContact CG1-CE2 4.15Å; V3-Y5 PolarHBondContact O-N 3.16Å; Y5-L7 PolarHBondContact O-N 3.42Å
6T43.5Very low50.9Low135 Ų135127.3 Ų127.383%0.82864%0.642SS**  trans-7896.5169.342.20000108.7R4 N8R4-T6 PolarHBondContact O-N 2.8Å; R4-T6 VanDerWaalsContact O-N 3.16Å; T6-N8 PolarHBondContact O-N 2.97Å; T6-N8 VanDerWaalsContact O-N 3.1Å
7L46.7Very low52Low115 Ų115124.3 Ų124.360%0.60263%0.632SS**  trans-57.1114.2172.7-110.4148.1000109.5Y5 L9 F12Y5-L7 PolarHBondContact O-N 3.42Å; L7-L9 VanDerWaalsContact C-N 3.34Å; L7-L9 PolarHBondContact O-N 3.17Å; L7-F12 HydrophobicContact CD2-CB 4Å; L7-F12 HydrophobicContact CD2-CD2 3.33Å; L7-F12 HydrophobicContact CD2-CE2 3.89Å; L7-F12 HydrophobicContact CD2-CG 3.74Å
8N52.3Low53Low106 Ų106119.2 Ų119.257%0.56762%0.616SS**  trans-72.890.2-179.2-156.1-27.2000109.3T6 K10 V11 F12T6-N8 PolarHBondContact O-N 2.97Å; T6-N8 VanDerWaalsContact O-N 3.1Å; N8-K10 PolarHBondContact O-N 3.18Å; N8-V11 PolarHBondContact O-N 3.38Å; N8-F12 PolarHBondContact O-N 3.44Å; N8-F12 VanDerWaalsContact O-N 3.12Å
9L53.2Low53.8Low111 Ų111118.5 Ų118.558%0.58161%0.612SS**Hα-helixtrans-55.1-19.3-176.1-74.4155000113.6L7 V11L7-L9 VanDerWaalsContact C-N 3.34Å; L7-L9 PolarHBondContact O-N 3.17Å; L9-V11 VanDerWaalsContact C-N 3.32Å
10K55Low54.3Low167 Ų167116.1 Ų116.173%0.72661%0.606SS**Hα-helixtrans-68.8-27.9174.4-70.3-176.7178174.40113.3N8 P14N8-K10 PolarHBondContact O-N 3.18Å; K10-P14 WeakPolarHBondContact O-CD 3.44Å; K10-P14 WeakPolarHBondContact O-CG 3.43Å
11V55.4Low55.1Low88 Ų88114.8 Ų114.853%0.53360%0.603SS.*Hα-helixtrans-106-33.8-178.1-176.10000111N8 L9 W13 P14 V15N8-V11 PolarHBondContact O-N 3.38Å; L9-V11 VanDerWaalsContact C-N 3.32Å; V11-W13 PolarHBondContact O-N 3.36Å; V11-P14 WeakPolarHBondContact O-CD 3.41Å; V11-V15 HydrophobicContact CG1-CG2 4.08Å; V11-V15 WeakPolarHBondContact O-CB 3.45Å; V11-V15 WeakPolarHBondContact O-CG2 3.24Å; V11-V15 PolarHBondContact O-N 3.34Å
12F62.8Low56.6Low83 Ų83105.6 Ų105.636%0.36457%0.566SS.*Hα-helixtrans-59.3-49.5-177.7-178-105.3000113.1L7 N8 V15 V16L7-F12 HydrophobicContact CD2-CB 4Å; L7-F12 HydrophobicContact CD2-CD2 3.33Å; L7-F12 HydrophobicContact CD2-CE2 3.89Å; L7-F12 HydrophobicContact CD2-CG 3.74Å; N8-F12 PolarHBondContact O-N 3.44Å; N8-F12 VanDerWaalsContact O-N 3.12Å; F12-V15 PolarHBondContact O-N 3.08Å; F12-V16 HydrophobicContact CD1-CG2 4.31Å; F12-V16 HydrophobicContact CD2-CG2 4.28Å; F12-V16 HydrophobicContact CE1-CG2 4Å; F12-V16 HydrophobicContact CE2-CG2 3.97Å; F12-V16 HydrophobicContact CG-CG2 4.45Å; F12-V16 HydrophobicContact CZ-CG2 3.83Å; F12-V16 VanDerWaalsContact O-CG2 3.26Å; F12-V16 WeakPolarHBondContact O-CG2 3.37Å; F12-V16 PolarHBondContact O-N 3.1Å
13W62.5Low58.2Low119 Ų119105.6 Ų105.645%0.45156%0.557SS.*Hα-helixtrans-69.4-43.5-175.6-70.8110.3000114.3V11 V15 V16 T17V11-W13 PolarHBondContact O-N 3.36Å; W13-V15 VanDerWaalsContact C-N 3.29Å; W13-V15 PolarHBondContact O-N 2.85Å; W13-V16 PolarHBondContact O-N 2.72Å; W13-T17 WeakPolarHBondContact O-CG2 3.49Å; W13-T17 PolarHBondContact O-N 3.39Å; W13-T17 PolarHBondContact O-OG1 3.39Å
14P64.9Low59.9Low75 Ų75103.6 Ų103.649%0.48755%0.545SS..Hα-helixtrans-58.2-41173-26.534.4000113.1K10 V11 T17 G18K10-P14 WeakPolarHBondContact O-CD 3.44Å; K10-P14 WeakPolarHBondContact O-CG 3.43Å; V11-P14 WeakPolarHBondContact O-CD 3.41Å; P14-T17 VanDerWaalsContact CA-OG1 3.31Å; P14-T17 WeakPolarHBondContact CA-OG1 3.46Å; P14-T17 PolarHBondContact O-N 3.01Å; P14-T17 PolarHBondContact O-OG1 3.44Å; P14-G18 PolarHBondContact O-N 2.8Å
15V63.9Low61.4Low80 Ų8097 Ų9749%0.48553%0.533SS..Hα-helixtrans-66.1-47.1178.4172.30000110.4V11 F12 W13 T17 G18 L19V11-V15 HydrophobicContact CG1-CG2 4.08Å; V11-V15 WeakPolarHBondContact O-CB 3.45Å; V11-V15 WeakPolarHBondContact O-CG2 3.24Å; V11-V15 PolarHBondContact O-N 3.34Å; F12-V15 PolarHBondContact O-N 3.08Å; W13-V15 VanDerWaalsContact C-N 3.29Å; W13-V15 PolarHBondContact O-N 2.85Å; V15-T17 PolarHBondContact O-N 3.18Å; V15-G18 PolarHBondContact O-N 2.7Å; V15-L19 HydrophobicContact CG1-CD1 4.42Å; V15-L19 WeakPolarHBondContact O-CB 3.31Å; V15-L19 PolarHBondContact O-N 3.15Å
16V71.2Confident62.6Low47 Ų4792 Ų9229%0.28552%0.52SS..Hα-helixtrans-61.2-43.3176.6171.40000111.3F12 W13 G18 L19 C20F12-V16 HydrophobicContact CD1-CG2 4.31Å; F12-V16 HydrophobicContact CD2-CG2 4.28Å; F12-V16 HydrophobicContact CE1-CG2 4Å; F12-V16 HydrophobicContact CE2-CG2 3.97Å; F12-V16 HydrophobicContact CG-CG2 4.45Å; F12-V16 HydrophobicContact CZ-CG2 3.83Å; F12-V16 VanDerWaalsContact O-CG2 3.26Å; F12-V16 WeakPolarHBondContact O-CG2 3.37Å; F12-V16 PolarHBondContact O-N 3.1Å; W13-V16 PolarHBondContact O-N 2.72Å; V16-G18 PolarHBondContact O-N 2.83Å; V16-L19 PolarHBondContact O-N 3.45Å; V16-C20 WeakPolarHBondContact O-CB 3.43Å; V16-C20 PolarHBondContact O-N 2.97Å; V16-C20 PolarHBondContact O-SG 3.29Å
17T69.8Low63.9Low76 Ų7691.7 Ų91.747%0.46650%0.504SS..Hα-helixtrans-64.4-41176.848.90000112W13 P14 V15 T21W13-T17 WeakPolarHBondContact O-CG2 3.49Å; W13-T17 PolarHBondContact O-N 3.39Å; W13-T17 PolarHBondContact O-OG1 3.39Å; P14-T17 VanDerWaalsContact CA-OG1 3.31Å; P14-T17 WeakPolarHBondContact CA-OG1 3.46Å; P14-T17 PolarHBondContact O-N 3.01Å; P14-T17 PolarHBondContact O-OG1 3.44Å; V15-T17 PolarHBondContact O-N 3.18Å; T17-T21 WeakPolarHBondContact O-CG2 3.4Å; T17-T21 PolarHBondContact O-N 3.27Å; T17-T21 PolarHBondContact O-OG1 2.69Å
18G69.3Low64.9Low33 Ų3391.8 Ų91.834%0.3450%0.501SS..Hα-helixtrans-62-44.8175.400000112.3P14 V15 V16 T21 A22P14-G18 PolarHBondContact O-N 2.8Å; V15-G18 PolarHBondContact O-N 2.7Å; V16-G18 PolarHBondContact O-N 2.83Å; G18-T21 WeakPolarHBondContact CA-OG1 3.37Å; G18-T21 PolarHBondContact O-N 3.32Å; G18-T21 PolarHBondContact O-OG1 2.87Å; G18-A22 WeakPolarHBondContact O-CB 3.4Å; G18-A22 PolarHBondContact O-N 3.29Å
19L68.1Low65.6Low105 Ų10589.4 Ų89.455%0.5550%0.496SS..Hα-helixtrans-66.5-42.2179.8-130.6140.7000112V15 V16 A22 L23V15-L19 HydrophobicContact CG1-CD1 4.42Å; V15-L19 WeakPolarHBondContact O-CB 3.31Å; V15-L19 PolarHBondContact O-N 3.15Å; V16-L19 PolarHBondContact O-N 3.45Å; L19-A22 PolarHBondContact O-N 2.82Å; L19-L23 HydrophobicContact CD2-CD1 4.08Å; L19-L23 WeakPolarHBondContact O-CB 3.49Å; L19-L23 WeakPolarHBondContact O-CG 3.17Å; L19-L23 PolarHBondContact O-N 3.25Å
20C64.1Low66Low71 Ų7189.2 Ų89.248%0.4850%0.496SS..Hα-helixtrans-64.4-41.7174-69.20000111.8V16 A22 L23 V24V16-C20 WeakPolarHBondContact O-CB 3.43Å; V16-C20 PolarHBondContact O-N 2.97Å; V16-C20 PolarHBondContact O-SG 3.29Å; C20-A22 VanDerWaalsContact C-N 3.35Å; C20-A22 PolarHBondContact O-N 2.9Å; C20-L23 PolarHBondContact O-N 2.91Å; C20-V24 WeakPolarHBondContact O-CG2 3.41Å; C20-V24 PolarHBondContact O-N 3Å
21T71.8Confident66.1Low89 Ų8988.7 Ų88.755%0.54649%0.489SS..Hα-helixtrans-64.5-38.9174.746.30000112.6T17 G18 V24 C25T17-T21 WeakPolarHBondContact O-CG2 3.4Å; T17-T21 PolarHBondContact O-N 3.27Å; T17-T21 PolarHBondContact O-OG1 2.69Å; G18-T21 WeakPolarHBondContact CA-OG1 3.37Å; G18-T21 PolarHBondContact O-N 3.32Å; G18-T21 PolarHBondContact O-OG1 2.87Å; T21-V24 PolarHBondContact O-N 3.15Å; T21-C25 PolarHBondContact O-N 3.37Å; T21-C25 PolarHBondContact O-SG 2.87Å
22A67.2Low66.1Low55 Ų5588.3 Ų88.346%0.45549%0.49SS..Hα-helixtrans-65.2-41.6176.600000111.5G18 L19 C20 C25 L26G18-A22 WeakPolarHBondContact O-CB 3.4Å; G18-A22 PolarHBondContact O-N 3.29Å; L19-A22 PolarHBondContact O-N 2.82Å; C20-A22 VanDerWaalsContact C-N 3.35Å; C20-A22 PolarHBondContact O-N 2.9Å; A22-C25 PolarHBondContact O-N 3.07Å; A22-L26 WeakPolarHBondContact O-CB 3.03Å; A22-L26 PolarHBondContact O-N 3.16Å
23L68.3Low65.5Low105 Ų10588.7 Ų88.755%0.5550%0.503SS..Hα-helixtrans-63.8-39.6175.5-80164.1000112.7L19 C20 L26 Y27L19-L23 HydrophobicContact CD2-CD1 4.08Å; L19-L23 WeakPolarHBondContact O-CB 3.49Å; L19-L23 WeakPolarHBondContact O-CG 3.17Å; L19-L23 PolarHBondContact O-N 3.25Å; C20-L23 PolarHBondContact O-N 2.91Å; L23-L26 PolarHBondContact O-N 3.27Å; L23-Y27 VanDerWaalsContact O-CB 3.31Å; L23-Y27 WeakPolarHBondContact O-CB 3.3Å; L23-Y27 PolarHBondContact O-N 3.37Å
24V68.6Low64.9Low79 Ų7991 Ų9148%0.47952%0.519SS..Hα-helixtrans-66.5-41.9175.3171.60000110.9C20 T21 L26 Y27 H28C20-V24 WeakPolarHBondContact O-CG2 3.41Å; C20-V24 PolarHBondContact O-N 3Å; T21-V24 PolarHBondContact O-N 3.15Å; V24-L26 VanDerWaalsContact C-N 3.35Å; V24-Y27 PolarHBondContact O-N 3.14Å; V24-H28 PolarHBondContact O-CD2 2.75Å; V24-H28 PolarHBondContact O-N 3.07Å
25C68.5Low64.1Low86 Ų8690.4 Ų90.458%0.58153%0.526SS*.Hα-helixtrans-62.9-41.3173.6-68.70000112T21 A22 H28 A29T21-C25 PolarHBondContact O-N 3.37Å; T21-C25 PolarHBondContact O-SG 2.87Å; A22-C25 PolarHBondContact O-N 3.07Å; C25-H28 PolarHBondContact O-N 2.75Å; C25-A29 WeakPolarHBondContact O-CB 3.34Å; C25-A29 PolarHBondContact O-N 2.89Å
26L68.1Low63.3Low107 Ų10790.7 Ų90.756%0.5654%0.537SS*.Hα-helixtrans-66.2-42.5178.3-15094000111.4A22 L23 V24 H28 A29 L30A22-L26 WeakPolarHBondContact O-CB 3.03Å; A22-L26 PolarHBondContact O-N 3.16Å; L23-L26 PolarHBondContact O-N 3.27Å; V24-L26 VanDerWaalsContact C-N 3.35Å; L26-H28 VanDerWaalsContact C-N 3.32Å; L26-H28 PolarHBondContact O-N 2.99Å; L26-A29 PolarHBondContact O-N 2.98Å; L26-L30 HydrophobicContact CD2-CD1 4.15Å; L26-L30 HydrophobicContact CG-CD1 4.35Å; L26-L30 WeakPolarHBondContact O-CB 3.29Å; L26-L30 VanDerWaalsContact O-CG 3.28Å; L26-L30 WeakPolarHBondContact O-CG 3.44Å; L26-L30 PolarHBondContact O-N 3.38Å
27Y70.8Confident62Low129 Ų129100.1 Ų100.151%0.50657%0.568SS.*Hα-helixtrans-60.8-41.4175.7179.3-104.2000111.6L23 V24 R31L23-Y27 VanDerWaalsContact O-CB 3.31Å; L23-Y27 WeakPolarHBondContact O-CB 3.3Å; L23-Y27 PolarHBondContact O-N 3.37Å; V24-Y27 PolarHBondContact O-N 3.14Å; Y27-R31 VanDerWaalsContact O-CB 3.29Å; Y27-R31 WeakPolarHBondContact O-CB 3.42Å; Y27-R31 PolarHBondContact O-N 3.01Å; Y27-R31 PolarHBondContact OH-NH1 3.37Å
28H66.3Low60.6Low116 Ų116100.8 Ų100.854%0.53758%0.581SS.*Hα-helixtrans-69.9-37.4176.1-82.4-64.6000113.1V24 C25 L26 R31 S32V24-H28 PolarHBondContact O-CD2 2.75Å; V24-H28 PolarHBondContact O-N 3.07Å; C25-H28 PolarHBondContact O-N 2.75Å; L26-H28 VanDerWaalsContact C-N 3.32Å; L26-H28 PolarHBondContact O-N 2.99Å; H28-R31 PolarHBondContact O-N 2.91Å; H28-S32 WeakPolarHBondContact O-CB 3.44Å; H28-S32 PolarHBondContact O-N 3.37Å; H28-S32 PolarHBondContact O-OG 3.37Å; H28-S32 VanDerWaalsContact O-OG 3.1Å
29A66.9Low59Low56 Ų56108.7 Ų108.746%0.46361%0.609SS.*Hα-helixtrans-64.1-42.8175.100000111.9C25 L26 S32 S33C25-A29 WeakPolarHBondContact O-CB 3.34Å; C25-A29 PolarHBondContact O-N 2.89Å; L26-A29 PolarHBondContact O-N 2.98Å; A29-S32 WeakPolarHBondContact CA-OG 3.08Å; A29-S32 PolarHBondContact O-N 2.97Å; A29-S32 PolarHBondContact O-OG 3.35Å; A29-S33 PolarHBondContact O-N 3Å; A29-S33 VanDerWaalsContact O-N 3.15Å
30L61.5Low57.5Low108 Ų108109 Ų10957%0.56562%0.62SS**Hα-helixtrans-67.1-40.7177.3-70.1166.6000111.5L26 S33 E34L26-L30 HydrophobicContact CD2-CD1 4.15Å; L26-L30 HydrophobicContact CG-CD1 4.35Å; L26-L30 WeakPolarHBondContact O-CB 3.29Å; L26-L30 VanDerWaalsContact O-CG 3.28Å; L26-L30 WeakPolarHBondContact O-CG 3.44Å; L26-L30 PolarHBondContact O-N 3.38Å; L30-S33 WeakPolarHBondContact O-CB 3.33Å; L30-S33 PolarHBondContact O-N 3.39Å; L30-S33 VanDerWaalsContact O-N 3.16Å; L30-E34 PolarHBondContact O-N 3.42Å
31R58.1Low57.1Low155 Ų155110.6 Ų110.659%0.58563%0.629SS**Hα-helixtrans-72.9-28.9178.2-154.7175.1-175.1-178.83.2113.4Y27 H28 S33 E34 G35Y27-R31 VanDerWaalsContact O-CB 3.29Å; Y27-R31 WeakPolarHBondContact O-CB 3.42Å; Y27-R31 PolarHBondContact O-N 3.01Å; Y27-R31 PolarHBondContact OH-NH1 3.37Å; H28-R31 PolarHBondContact O-N 2.91Å; R31-S33 VanDerWaalsContact C-N 3.29Å; R31-E34 PolarHBondContact O-N 3.06Å; R31-G35 PolarHBondContact O-N 2.91Å
32S54.7Low55.3Low81 Ų81114 Ų11457%0.56664%0.644SS**Hα-helixtrans-70.1-26.3169.357.60000112.9H28 A29H28-S32 WeakPolarHBondContact O-CB 3.44Å; H28-S32 PolarHBondContact O-N 3.37Å; H28-S32 PolarHBondContact O-OG 3.37Å; H28-S32 VanDerWaalsContact O-OG 3.1Å; A29-S32 WeakPolarHBondContact CA-OG 3.08Å; A29-S32 PolarHBondContact O-N 2.97Å; A29-S32 PolarHBondContact O-OG 3.35Å
33S50.8Low53.7Low91 Ų91115 Ų11564%0.63666%0.66SS**Hα-helixtrans-74.8-28.7175.6-168.10000112.6A29 L30 R31A29-S33 PolarHBondContact O-N 3Å; A29-S33 VanDerWaalsContact O-N 3.15Å; L30-S33 WeakPolarHBondContact O-CB 3.33Å; L30-S33 PolarHBondContact O-N 3.39Å; L30-S33 VanDerWaalsContact O-N 3.16Å; R31-S33 VanDerWaalsContact C-N 3.29Å
34E49Very low52.8Low167 Ų167114.7 Ų114.778%0.7867%0.672SS**Hα-helixtrans-79.3-19.7175.5-73-174.2154.700113.4L30 R31L30-E34 PolarHBondContact O-N 3.42Å; R31-E34 PolarHBondContact O-N 3.06Å
35G49.5Very low51.6Low62 Ų62117.7 Ų117.764%0.63969%0.686SS**THydrogen-bonded Turntrans-86-4.4177.900000115.4R31 R37R31-G35 PolarHBondContact O-N 2.91Å; G35-R37 VanDerWaalsContact C-N 3.31Å; G35-R37 PolarHBondContact O-N 2.87Å
36A46.2Very low50.5Low86 Ų86118.9 Ų118.971%0.71170%0.695SS**  trans-92.636.1-174.400000113.7
37R44.8Very low49.4Very low245 Ų245116 Ų11693%0.92569%0.691SS**SBendtrans-141.957.3173.8-143.2-177.8-161.9-178.74.6112.6G35G35-R37 VanDerWaalsContact C-N 3.31Å; G35-R37 PolarHBondContact O-N 2.87Å
38A40.1Very low48.5Very low90 Ų90116.2 Ų116.274%0.74470%0.695SS**SBendtrans-171.6112.114900000109.9
39E35.6Very low48.2Very low200 Ų200114.6 Ų114.694%0.93570%0.695SS**  trans37.9136.2151.3-64.6-179.7160.300123.2
40S35.6Very low47.6Very low110 Ų110118.3 Ų118.377%0.76971%0.706SS**  trans-93.2-175.9170.459.70000112.2
41P56.3Low47.3Very low105 Ų105117.9 Ų117.968%0.68270%0.704SS**  cis-131.3-172.3-15.226.3-2.1000112.9
42D34.5Very low47.5Very low162 Ų162116.6 Ų116.687%0.86670%0.703SS**  trans99.5132.9163.3-64.5-15.2000119
43G34.5Very low47.8Very low76 Ų76116.5 Ų116.578%0.78470%0.699SS**  trans108.9101.7165.400000113.8D45G43-D45 PolarHBondContact O-N 2.71Å
44A47.8Very low48.3Very low97 Ų97114.8 Ų114.880%0.80269%0.689SS**  trans-32124168.700000114.6
45D44.1Very low49.2Very low143 Ų143111.3 Ų111.377%0.76568%0.675SS**  trans-179.966.9143.6-94.9-17.6000111.7G43 G47G43-D45 PolarHBondContact O-N 2.71Å; D45-G47 VanDerWaalsContact C-N 3.26Å; D45-G47 PolarHBondContact O-N 2.88Å
46S44.6Very low50.2Low111 Ų111113.8 Ų113.878%0.77667%0.673SS**THydrogen-bonded Turntrans-90.832.7171.267.80000113.2
47G46.6Very low51.1Low47 Ų47115.5 Ų115.549%0.48567%0.67SS.*THydrogen-bonded Turntrans-90.4-18.8174.900000114.5D45 L51D45-G47 VanDerWaalsContact C-N 3.26Å; D45-G47 PolarHBondContact O-N 2.88Å; G47-L51 PolarHBondContact O-N 2.98Å
48F51.3Low52Low132 Ų132108.9 Ų108.958%0.57965%0.652SS**Hα-helixtrans-72.9-28.8-173.6-102.3-88.2000117.4K52F48-K52 WeakPolarHBondContact O-CG 3.33Å; F48-K52 PolarHBondContact O-N 2.66Å
49P59.3Low53.4Low82 Ų82109.2 Ų109.253%0.53264%0.641SS.*Hα-helixtrans-78.8-36.5179.226.9-29.4000112.7K52 V53P49-K52 PolarHBondContact O-N 3.5Å; P49-V53 WeakPolarHBondContact O-CG2 3.46Å; P49-V53 PolarHBondContact O-N 3.39Å; P49-V53 VanDerWaalsContact O-N 3.09Å
50L54.3Low54.9Low134 Ų134101 Ų10170%0.70261%0.61SS**Hα-helixtrans-70.8-38177.3-83.2164.9000112.3K52 V53 A54L50-K52 VanDerWaalsContact C-N 3.34Å; L50-K52 PolarHBondContact O-N 3.27Å; L50-V53 PolarHBondContact O-N 2.76Å; L50-A54 VanDerWaalsContact O-CB 3.29Å; L50-A54 WeakPolarHBondContact O-CB 3.47Å; L50-A54 PolarHBondContact O-N 3.24Å
51L56.1Low56.5Low99 Ų99102.1 Ų102.152%0.51860%0.599SS.*Hα-helixtrans-62.4-41.7174.7-167.781.7000111.2G47 A54 I55G47-L51 PolarHBondContact O-N 2.98Å; L51-A54 PolarHBondContact O-N 2.96Å; L51-I55 HydrophobicContact CD2-CD1 4.23Å; L51-I55 HydrophobicContact CG-CD1 3.96Å; L51-I55 WeakPolarHBondContact O-CB 3.28Å; L51-I55 WeakPolarHBondContact O-CD1 3.5Å; L51-I55 WeakPolarHBondContact O-CG1 3.45Å; L51-I55 PolarHBondContact O-N 3.11Å
52K61.3Low56.9Low129 Ų129100.8 Ų100.856%0.56159%0.585SS**Hα-helixtrans-66.4-40.2177.2-76.8177.2177.7173.10112.4F48 P49 L50 I55 L56F48-K52 WeakPolarHBondContact O-CG 3.33Å; F48-K52 PolarHBondContact O-N 2.66Å; P49-K52 PolarHBondContact O-N 3.5Å; L50-K52 VanDerWaalsContact C-N 3.34Å; L50-K52 PolarHBondContact O-N 3.27Å; K52-I55 PolarHBondContact O-N 2.71Å; K52-L56 WeakPolarHBondContact O-CB 3.38Å; K52-L56 WeakPolarHBondContact O-CG 3.42Å; K52-L56 PolarHBondContact O-N 2.94Å
53V62.3Low58.5Low79 Ų7997.9 Ų97.948%0.47957%0.569SS.*Hα-helixtrans-66.3-40.9174.3173.70000110.9P49 L50 L56 L57P49-V53 WeakPolarHBondContact O-CG2 3.46Å; P49-V53 PolarHBondContact O-N 3.39Å; P49-V53 VanDerWaalsContact O-N 3.09Å; L50-V53 PolarHBondContact O-N 2.76Å; V53-L56 PolarHBondContact O-N 2.85Å; V53-L57 HydrophobicContact CG1-CD1 4Å; V53-L57 HydrophobicContact CG1-CG 4.47Å; V53-L57 WeakPolarHBondContact O-CB 3.28Å; V53-L57 WeakPolarHBondContact O-CG 3.25Å; V53-L57 PolarHBondContact O-N 3.27Å
54A60.9Low60Low54 Ų54100.5 Ų100.545%0.44656%0.564SS.*Hα-helixtrans-64-41.2175.500000112L50 L51 L57 L58L50-A54 VanDerWaalsContact O-CB 3.29Å; L50-A54 WeakPolarHBondContact O-CB 3.47Å; L50-A54 PolarHBondContact O-N 3.24Å; L51-A54 PolarHBondContact O-N 2.96Å; A54-L57 PolarHBondContact O-N 3.06Å; A54-L58 VanDerWaalsContact O-CB 3.29Å; A54-L58 WeakPolarHBondContact O-CB 3.38Å; A54-L58 PolarHBondContact O-N 3.26Å
55I67.4Low60.9Low95 Ų95103.5 Ų103.549%0.48756%0.555SS.*Hα-helixtrans-65.5-41.4175.7-69.6164.5000110.8L51 K52 L58 L59L51-I55 HydrophobicContact CD2-CD1 4.23Å; L51-I55 HydrophobicContact CG-CD1 3.96Å; L51-I55 WeakPolarHBondContact O-CB 3.28Å; L51-I55 WeakPolarHBondContact O-CD1 3.5Å; L51-I55 WeakPolarHBondContact O-CG1 3.45Å; L51-I55 PolarHBondContact O-N 3.11Å; K52-I55 PolarHBondContact O-N 2.71Å; I55-L58 PolarHBondContact O-N 3.36Å; I55-L59 VanDerWaalsContact O-CB 3.28Å; I55-L59 WeakPolarHBondContact O-CB 3.47Å; I55-L59 PolarHBondContact O-N 3.5Å
56L70.5Confident61.5Low113 Ų11399.4 Ų99.459%0.59254%0.537SS*.Hα-helixtrans-66.3-39176.3-77.9168.9000112.4K52 V53 L59 G60K52-L56 WeakPolarHBondContact O-CB 3.38Å; K52-L56 WeakPolarHBondContact O-CG 3.42Å; K52-L56 PolarHBondContact O-N 2.94Å; V53-L56 PolarHBondContact O-N 2.85Å; L56-L59 PolarHBondContact O-N 2.95Å; L56-G60 PolarHBondContact O-N 3.31Å
57L66.1Low62.3Low123 Ų123101.5 Ų101.564%0.64453%0.528SS*.Hα-helixtrans-68-38.9174.3-73.9171.4000111.8V53 A54 G60 Y61V53-L57 HydrophobicContact CG1-CD1 4Å; V53-L57 HydrophobicContact CG1-CG 4.47Å; V53-L57 WeakPolarHBondContact O-CB 3.28Å; V53-L57 WeakPolarHBondContact O-CG 3.25Å; V53-L57 PolarHBondContact O-N 3.27Å; A54-L57 PolarHBondContact O-N 3.06Å; L57-G60 PolarHBondContact O-N 3.34Å; L57-Y61 WeakPolarHBondContact O-CB 3.49Å; L57-Y61 PolarHBondContact O-N 3.19Å
58L63.8Low62.6Low106 Ų106104.9 Ų104.956%0.55553%0.53SS*.Hα-helixtrans-66.5-42.8175.1-162.485.1000111A54 I55 G60 Y61 I62A54-L58 VanDerWaalsContact O-CB 3.29Å; A54-L58 WeakPolarHBondContact O-CB 3.38Å; A54-L58 PolarHBondContact O-N 3.26Å; I55-L58 PolarHBondContact O-N 3.36Å; L58-G60 VanDerWaalsContact C-N 3.35Å; L58-Y61 PolarHBondContact O-N 3.43Å; L58-I62 HydrophobicContact CD2-CD1 4.19Å; L58-I62 HydrophobicContact CG-CD1 4.08Å; L58-I62 WeakPolarHBondContact O-CB 3.34Å; L58-I62 VanDerWaalsContact O-CG1 3.23Å; L58-I62 WeakPolarHBondContact O-CG1 3.23Å; L58-I62 PolarHBondContact O-N 3.09Å
59L68.9Low62.5Low97 Ų97101.6 Ų101.651%0.50852%0.522SS..Hα-helixtrans-64.1-41.3175.2-164.378000110.8I55 L56 I62 L63I55-L59 VanDerWaalsContact O-CB 3.28Å; I55-L59 WeakPolarHBondContact O-CB 3.47Å; I55-L59 PolarHBondContact O-N 3.5Å; L56-L59 PolarHBondContact O-N 2.95Å; L59-I62 PolarHBondContact O-N 3.43Å; L59-L63 HydrophobicContact CG-CD1 4.3Å; L59-L63 WeakPolarHBondContact O-CB 3.43Å; L59-L63 VanDerWaalsContact O-CG 3.24Å; L59-L63 WeakPolarHBondContact O-CG 3.37Å; L59-L63 PolarHBondContact O-N 2.85Å
60G67.8Low62.1Low28 Ų28102 Ų10229%0.28952%0.518SS..Hα-helixtrans-60.3-44.7172.600000112.3L56 L57 L58 L63 L64L56-G60 PolarHBondContact O-N 3.31Å; L57-G60 PolarHBondContact O-N 3.34Å; L58-G60 VanDerWaalsContact C-N 3.35Å; G60-L63 PolarHBondContact O-N 3.01Å; G60-L64 WeakPolarHBondContact O-CB 3.36Å; G60-L64 WeakPolarHBondContact O-CD1 3.4Å; G60-L64 PolarHBondContact O-N 3.37Å
61Y68.3Low61.8Low133 Ų133104.6 Ų104.652%0.52252%0.519SS..Hα-helixtrans-64-44.5175.9179.6-98.8000112.2L57 L58 L64 R65L57-Y61 WeakPolarHBondContact O-CB 3.49Å; L57-Y61 PolarHBondContact O-N 3.19Å; L58-Y61 PolarHBondContact O-N 3.43Å; Y61-L64 PolarHBondContact O-N 3.33Å; Y61-R65 WeakPolarHBondContact O-CB 3.42Å; Y61-R65 PolarHBondContact O-N 3.33Å
62I64Low61.3Low77 Ų77106.2 Ų106.240%0.39552%0.523SS..Hα-helixtrans-64.5-43177.1-68.5165.8000110.3L58 L59 L64 R65 C66L58-I62 HydrophobicContact CD2-CD1 4.19Å; L58-I62 HydrophobicContact CG-CD1 4.08Å; L58-I62 WeakPolarHBondContact O-CB 3.34Å; L58-I62 VanDerWaalsContact O-CG1 3.23Å; L58-I62 WeakPolarHBondContact O-CG1 3.23Å; L58-I62 PolarHBondContact O-N 3.09Å; L59-I62 PolarHBondContact O-N 3.43Å; I62-L64 PolarHBondContact O-N 3.1Å; I62-R65 CarbonylContact O-C 3.6Å; I62-R65 PolarHBondContact O-N 2.78Å; I62-C66 VanDerWaalsContact O-CB 3.26Å; I62-C66 WeakPolarHBondContact O-CB 3.33Å; I62-C66 PolarHBondContact O-N 3.34Å; I62-C66 PolarHBondContact O-SG 3.45Å; I62-C66 VanDerWaalsContact O-SG 3.39Å
63L68.6Low60.5Low101 Ų101110.4 Ų110.453%0.52954%0.536SS..Hα-helixtrans-64.6-38.5175.3-72.9171.2000111.9L59 G60 R67L59-L63 HydrophobicContact CG-CD1 4.3Å; L59-L63 WeakPolarHBondContact O-CB 3.43Å; L59-L63 VanDerWaalsContact O-CG 3.24Å; L59-L63 WeakPolarHBondContact O-CG 3.37Å; L59-L63 PolarHBondContact O-N 2.85Å; G60-L63 PolarHBondContact O-N 3.01Å; L63-R67 VanDerWaalsContact O-CB 3.25Å; L63-R67 WeakPolarHBondContact O-CB 3.3Å; L63-R67 WeakPolarHBondContact O-CG 3.13Å; L63-R67 PolarHBondContact O-N 3.22Å
64L67.2Low59.4Low131 Ų131113.1 Ų113.169%0.68655%0.547SS*.Hα-helixtrans-64.1-39.6172.5-99.4128.7000111.9G60 Y61 I62 R67 H68G60-L64 WeakPolarHBondContact O-CB 3.36Å; G60-L64 WeakPolarHBondContact O-CD1 3.4Å; G60-L64 PolarHBondContact O-N 3.37Å; Y61-L64 PolarHBondContact O-N 3.33Å; I62-L64 PolarHBondContact O-N 3.1Å; L64-R67 PolarHBondContact O-N 3.09Å; L64-H68 WeakPolarHBondContact O-CB 3.33Å; L64-H68 PolarHBondContact O-N 3.5Å
65R64.7Low58.3Low159 Ų159116.6 Ų116.660%0.656%0.557SS**Hα-helixtrans-73.6-38.8178.6-142.7-175.3-169.7-172.64.6112.4Y61 I62 H68 T69Y61-R65 WeakPolarHBondContact O-CB 3.42Å; Y61-R65 PolarHBondContact O-N 3.33Å; I62-R65 CarbonylContact O-C 3.6Å; I62-R65 PolarHBondContact O-N 2.78Å; R65-H68 PolarHBondContact O-N 3.13Å; R65-T69 WeakPolarHBondContact O-CG2 3.33Å; R65-T69 PolarHBondContact O-N 3.38Å; R65-T69 PolarHBondContact O-OG1 3.2Å
66C57Low56.8Low57 Ų57118.1 Ų118.139%0.38557%0.573SS.*Hα-helixtrans-64.6-40.2170.8-76.50000110.8I62 T69 I70I62-C66 VanDerWaalsContact O-CB 3.26Å; I62-C66 WeakPolarHBondContact O-CB 3.33Å; I62-C66 PolarHBondContact O-N 3.34Å; I62-C66 PolarHBondContact O-SG 3.45Å; I62-C66 VanDerWaalsContact O-SG 3.39Å; C66-T69 VanDerWaalsContact CA-OG1 3.25Å; C66-T69 WeakPolarHBondContact CA-OG1 3.37Å; C66-T69 PolarHBondContact O-N 3.01Å; C66-T69 PolarHBondContact O-OG1 3.48Å; C66-I70 WeakPolarHBondContact O-CB 3.38Å; C66-I70 WeakPolarHBondContact O-CD1 3.16Å; C66-I70 WeakPolarHBondContact O-CG1 2.79Å; C66-I70 PolarHBondContact O-N 3.47Å
67R61.5Low55.1Low156 Ų156116 Ų11659%0.58958%0.579SS**Hα-helixtrans-68.8-35.3173.5-73.2180100.2143.57112.3L63 L64 R71L63-R67 VanDerWaalsContact O-CB 3.25Å; L63-R67 WeakPolarHBondContact O-CB 3.3Å; L63-R67 WeakPolarHBondContact O-CG 3.13Å; L63-R67 PolarHBondContact O-N 3.22Å; L64-R67 PolarHBondContact O-N 3.09Å; R67-R71 WeakPolarHBondContact O-CB 3.49Å; R67-R71 PolarHBondContact O-N 3.39Å
68H54.3Low53.4Low117 Ų117115.6 Ų115.654%0.54259%0.586SS.*Hα-helixtrans-66.5-40.7174.4-167.1-77.4000111.8L64 R65 Q72L64-H68 WeakPolarHBondContact O-CB 3.33Å; L64-H68 PolarHBondContact O-N 3.5Å; R65-H68 PolarHBondContact O-N 3.13Å; H68-Q72 PolarHBondContact CE1-NE2 3.44Å; H68-Q72 WeakPolarHBondContact O-CB 3.46Å; H68-Q72 WeakPolarHBondContact O-CG 3.4Å; H68-Q72 PolarHBondContact O-N 3.11Å
69T48.4Very low51.9Low64 Ų64115.8 Ų115.839%0.39360%0.597SS.*Hα-helixtrans-72.8-38.1176.846.30000112.6R65 C66 Q72 R73R65-T69 WeakPolarHBondContact O-CG2 3.33Å; R65-T69 PolarHBondContact O-N 3.38Å; R65-T69 PolarHBondContact O-OG1 3.2Å; C66-T69 VanDerWaalsContact CA-OG1 3.25Å; C66-T69 WeakPolarHBondContact CA-OG1 3.37Å; C66-T69 PolarHBondContact O-N 3.01Å; C66-T69 PolarHBondContact O-OG1 3.48Å; T69-Q72 PolarHBondContact O-N 3.38Å; T69-R73 WeakPolarHBondContact O-CG 3.38Å; T69-R73 PolarHBondContact O-N 3.36Å
70I51Low50.1Low91 Ų91122.3 Ų122.347%0.46762%0.615SS.*Hα-helixtrans-68.6-36.9173.6-69.9167.4000110.8C66 Q72 R73 L74C66-I70 WeakPolarHBondContact O-CB 3.38Å; C66-I70 WeakPolarHBondContact O-CD1 3.16Å; C66-I70 WeakPolarHBondContact O-CG1 2.79Å; C66-I70 PolarHBondContact O-N 3.47Å; I70-Q72 VanDerWaalsContact C-N 3.35Å; I70-R73 CarbonylContact O-C 3.44Å; I70-R73 WeakPolarHBondContact O-CA 3.48Å; I70-R73 PolarHBondContact O-N 3Å; I70-L74 HydrophobicContact CG2-CD1 3.5Å; I70-L74 WeakPolarHBondContact O-CB 3.47Å; I70-L74 PolarHBondContact O-N 3.35Å
71R48.3Very low48.5Very low187 Ų187126.9 Ų126.971%0.70664%0.639SS**Hα-helixtrans-71.1-28.8174.6-162.1179.3-168.2-171.84.3112.7R67 R73 L75R67-R71 WeakPolarHBondContact O-CB 3.49Å; R67-R71 PolarHBondContact O-N 3.39Å; R71-R73 VanDerWaalsContact C-N 3.31Å; R71-L75 PolarHBondContact O-N 3.44Å
72Q45.4Very low46.9Very low133 Ų133127.1 Ų127.162%0.62166%0.659SS**Hα-helixtrans-73.4-21.6166.9-76.7-172.8-22.400113H68 T69 I70H68-Q72 PolarHBondContact CE1-NE2 3.44Å; H68-Q72 WeakPolarHBondContact O-CB 3.46Å; H68-Q72 WeakPolarHBondContact O-CG 3.4Å; H68-Q72 PolarHBondContact O-N 3.11Å; T69-Q72 PolarHBondContact O-N 3.38Å; I70-Q72 VanDerWaalsContact C-N 3.35Å
73R44.7Very low45.3Very low217 Ų217126.2 Ų126.282%0.81967%0.668SS**Hα-helixtrans-91.5-12173.5-72.8-177.2-171.1-1783.2114.9T69 I70 R71T69-R73 WeakPolarHBondContact O-CG 3.38Å; T69-R73 PolarHBondContact O-N 3.36Å; I70-R73 CarbonylContact O-C 3.44Å; I70-R73 WeakPolarHBondContact O-CA 3.48Å; I70-R73 PolarHBondContact O-N 3Å; R71-R73 VanDerWaalsContact C-N 3.31Å
74L39.4Very low44Very low136 Ų136131.2 Ų131.271%0.71269%0.688SS**SBendtrans-114.78.9-178.2-85.9151.5000114.7I70I70-L74 HydrophobicContact CG2-CD1 3.5Å; I70-L74 WeakPolarHBondContact O-CB 3.47Å; I70-L74 PolarHBondContact O-N 3.35Å
75L37.3Very low42.3Very low127 Ų127128.2 Ų128.267%0.66568%0.683SS**SBendtrans-73.4134.9147.5-80156.6000106.5R71 G77R71-L75 PolarHBondContact O-N 3.44Å; L75-G77 PolarHBondContact O-N 3.46Å
76P35.8Very low41Very low127 Ų127129 Ų12983%0.82570%0.699SS**  trans-65.596.1-168.626.5-33.1000110.4S78P76-S78 PolarHBondContact O-N 3.42Å
77G34.3Very low39.8Very low69 Ų69135.3 Ų135.371%0.71172%0.72SS**  trans-70108.7148.900000106.1L75 S79L75-G77 PolarHBondContact O-N 3.46Å; G77-S79 PolarHBondContact O-N 2.79Å
78S30.9Very low38.5Very low114 Ų114133.2 Ų133.280%0.79773%0.729SS**  trans-57.6103.4171.957.70000108.7P76 R80P76-S78 PolarHBondContact O-N 3.42Å; S78-R80 PolarHBondContact O-N 3.21Å
79S31.1Very low37.7Very low110 Ų110132 Ų13277%0.76974%0.74SS**  trans-63.7113.7167.346.80000108.6G77G77-S79 PolarHBondContact O-N 2.79Å
80R32.1Very low37.1Very low235 Ų235140.1 Ų140.189%0.88776%0.763SS**  trans-49.3128.9160.9-77.6172.4160.6172.2-6.9109.8S78S78-R80 PolarHBondContact O-N 3.21Å
81P33.1Very low36.6Very low123 Ų123141.1 Ų141.180%0.79978%0.776SS**  trans-75.8124143.96.611.8000107G83P81-G83 VanDerWaalsContact C-N 3.34Å; P81-G83 PolarHBondContact O-N 2.92Å
82C36.6Very low36.4Very low139 Ų139140.8 Ų140.894%0.93979%0.787SS**  trans-68.398.7167.2-151.80000107.3
83G30.4Very low36.9Very low58 Ų58143.3 Ų143.360%0.59880%0.799SS**  trans-144.5119.816900000106.4P81 A85P81-G83 VanDerWaalsContact C-N 3.34Å; P81-G83 PolarHBondContact O-N 2.92Å; G83-A85 PolarHBondContact O-N 3.44Å
84H40.8Very low37.8Very low205 Ų205139.5 Ų139.595%0.94979%0.79SS**  trans-54.5106.3179.9-75.1-78.7000110.8
85A31.4Very low39.4Very low68 Ų68135.9 Ų135.956%0.56278%0.775SS**  trans-151.1119.616400000108.8G83 F87G83-A85 PolarHBondContact O-N 3.44Å; A85-F87 HydrophobicContact CB-CD2 4.29Å; A85-F87 HydrophobicContact CB-CE2 4.36Å; A85-F87 PolarHBondContact O-N 3.45Å
86N37.5Very low41.6Very low176 Ų176131.5 Ų131.594%0.94176%0.761SS**  trans-57.799176.6-70.8-29.3000110.5
87F31.2Very low44Very low190 Ų190128 Ų12883%0.83373%0.734SS**  trans-114106.5166.5-88.2-83.3000109.6A85 A89A85-F87 HydrophobicContact CB-CD2 4.29Å; A85-F87 HydrophobicContact CB-CE2 4.36Å; A85-F87 PolarHBondContact O-N 3.45Å; F87-A89 PolarHBondContact O-N 3.15Å
88S35.4Very low46.4Very low112 Ų112127.1 Ų127.178%0.78372%0.717SS**  trans-44.9119.5166.7178.20000110.5R90S88-R90 PolarHBondContact O-N 2.96Å
89A36.2Very low49.1Very low92 Ų92126.2 Ų126.276%0.7670%0.703SS**  trans-64.2102.2168.700000108.3F87 P91F87-A89 PolarHBondContact O-N 3.15Å; A89-P91 WeakPolarHBondContact O-CD 3.31Å
90R35.5Very low52Low233 Ų233122.1 Ų122.188%0.87967%0.672SS**  trans-63.8122.9162.1-90-175.4171179.1-2.1107.4S88 L92S88-R90 PolarHBondContact O-N 2.96Å; R90-L92 PolarHBondContact O-N 3.46Å
91P41.9Very low54.8Low113 Ų113111 Ų11173%0.73463%0.63SS**  trans-60.9136.7172.925.3-31.4000108.5A89 Q93A89-P91 WeakPolarHBondContact O-CD 3.31Å; P91-Q93 VanDerWaalsContact C-N 3.35Å; P91-Q93 PolarHBondContact O-N 3.4Å
92L44.2Very low57.6Low180 Ų180108.9 Ų108.994%0.94261%0.609SS**  trans-53.1104.2163.5-96.3141.9000106.8R90 E94R90-L92 PolarHBondContact O-N 3.46Å; L92-E94 PolarHBondContact O-N 3.04Å
93Q54.6Low60.2Low186 Ų186104.3 Ų104.387%0.86958%0.579SS**PPolyproline II helixtrans-59.7120.9-175.9-167.6171.611.400108.2P91P91-Q93 VanDerWaalsContact C-N 3.35Å; P91-Q93 PolarHBondContact O-N 3.4Å
94E63.5Low63.1Low136 Ų136101.8 Ų101.864%0.63655%0.552SS**PPolyproline II helixtrans-56.5137.1177.9-66.6-163.5173.200109.4L92 G96 R508L92-E94 PolarHBondContact O-N 3.04Å; E94-G96 PolarHBondContact O-N 3.39Å; E94-R508 IonicContact OE2-CZ 2.82Å; E94-R508 IonicContact OE2-NH1 3.7Å; E94-R508 IonicContact OE2-NH2 2.96Å; E94-R508 PolarHBondContact OE2-NH2 2.76Å
95P73.6Confident65.6Low61 Ų6193.3 Ų93.340%0.39651%0.511SS..PPolyproline II helixtrans-59.1129.817723.8-32.1000109.1I99 L100P95-I99 HydrophobicContact CB-CG2 4.46Å; P95-L100 HydrophobicContact CB-CD2 4.48Å; P95-L100 HydrophobicContact CG-CD2 4.05Å; P95-L100 HydrophobicContact CG-CG 4.42Å
96G82.6Confident68.4Low35 Ų3594 Ų9436%0.36150%0.503SS..PPolyproline II helixtrans-57.9156.8176.900000112E94 S98 I99 L100E94-G96 PolarHBondContact O-N 3.39Å; G96-S98 PolarHBondContact O-N 3.01Å; G96-I99 PolarHBondContact O-N 3.48Å; G96-L100 PolarHBondContact O-N 3.35Å
97L86.4Confident70.9Confident53 Ų5389.6 Ų89.628%0.27748%0.477SS..Hα-helixtrans-56.6-36.1-178.917661000112.7I99 L100 L101 L503 P504 L507L97-I99 PolarHBondContact O-N 2.99Å; L97-L100 PolarHBondContact O-N 3.26Å; L97-L101 HydrophobicContact CD1-CD1 4.17Å; L97-L101 HydrophobicContact CD1-CG 4.04Å; L97-L101 HydrophobicContact CD2-CD1 4.5Å; L97-L101 HydrophobicContact CG-CD1 3.9Å; L97-L101 HydrophobicContact CG-CG 4.27Å; L97-L101 WeakPolarHBondContact O-CB 3.38Å; L97-L101 WeakPolarHBondContact O-CG 3.28Å; L97-L101 PolarHBondContact O-N 2.67Å; L97-L503 HydrophobicContact CD1-CD2 4.08Å; L97-L503 HydrophobicContact CD1-CG 4.08Å; L97-P504 HydrophobicContact CD1-CG 4.22Å; L97-L507 HydrophobicContact CD1-CD1 3.99Å
98S86.2Confident73.6Confident50 Ų5082.4 Ų82.435%0.3545%0.446SS..Hα-helixtrans-56.6-48.9176.750.60000112.2G96 L100 L101 E102G96-S98 PolarHBondContact O-N 3.01Å; S98-L100 VanDerWaalsContact C-N 3.34Å; S98-L100 PolarHBondContact O-N 3.46Å; S98-L101 WeakPolarHBondContact O-CB 3.28Å; S98-L101 PolarHBondContact O-N 2.9Å; S98-E102 WeakPolarHBondContact O-CG 3.49Å; S98-E102 PolarHBondContact O-N 3.46Å
99I87.8Confident76.3Confident96 Ų9677.1 Ų77.149%0.49241%0.409SS..Hα-helixtrans-63.1-42.1179.3-58.9172.5000110.7P95 G96 L97 E102 S103P95-I99 HydrophobicContact CB-CG2 4.46Å; G96-I99 PolarHBondContact O-N 3.48Å; L97-I99 PolarHBondContact O-N 2.99Å; I99-E102 PolarHBondContact O-N 3.3Å; I99-S103 WeakPolarHBondContact O-CB 3.16Å; I99-S103 PolarHBondContact O-N 2.89Å
100L90.8Very high79Confident23 Ų2378.5 Ų78.512%0.1239%0.394CS..Hα-helixtrans-64.5-40.7177.5-67.1175000111.7P95 G96 L97 S98 Y104 P504 L507 R508P95-L100 HydrophobicContact CB-CD2 4.48Å; P95-L100 HydrophobicContact CG-CD2 4.05Å; P95-L100 HydrophobicContact CG-CG 4.42Å; G96-L100 PolarHBondContact O-N 3.35Å; L97-L100 PolarHBondContact O-N 3.26Å; S98-L100 VanDerWaalsContact C-N 3.34Å; S98-L100 PolarHBondContact O-N 3.46Å; L100-Y104 VanDerWaalsContact O-CB 3.29Å; L100-Y104 WeakPolarHBondContact O-CB 3.15Å; L100-Y104 PolarHBondContact O-N 2.84Å; L100-P504 HydrophobicContact CD1-CB 4.13Å; L100-L507 HydrophobicContact CB-CB 4.18Å; L100-L507 HydrophobicContact CB-CD1 3.86Å; L100-R508 HydrophobicContact CD1-CG 4.25Å; L100-R508 HydrophobicContact CD2-CG 3.98Å
101L92.1Very high81.6Confident1 Ų168.4 Ų68.41%0.00536%0.357CS..Hα-helixtrans-65.2-44.9177.3-78.5171.1000111.7L97 S98 Y104 Y105 L378 L430 L434 L503 L507L97-L101 HydrophobicContact CD1-CD1 4.17Å; L97-L101 HydrophobicContact CD1-CG 4.04Å; L97-L101 HydrophobicContact CD2-CD1 4.5Å; L97-L101 HydrophobicContact CG-CD1 3.9Å; L97-L101 HydrophobicContact CG-CG 4.27Å; L97-L101 WeakPolarHBondContact O-CB 3.38Å; L97-L101 WeakPolarHBondContact O-CG 3.28Å; L97-L101 PolarHBondContact O-N 2.67Å; S98-L101 WeakPolarHBondContact O-CB 3.28Å; S98-L101 PolarHBondContact O-N 2.9Å; L101-Y104 PolarHBondContact O-N 2.84Å; L101-Y105 VanDerWaalsContact O-CB 3.27Å; L101-Y105 WeakPolarHBondContact O-CB 3.45Å; L101-Y105 PolarHBondContact O-N 3.44Å; L101-L378 HydrophobicContact CD2-CD1 4.34Å; L101-L378 HydrophobicContact CD2-CD2 4.17Å; L101-L430 HydrophobicContact CB-CD2 4.36Å; L101-L434 HydrophobicContact CD1-CD2 4.35Å; L101-L434 HydrophobicContact CD2-CD2 4.07Å; L101-L503 HydrophobicContact CD2-CD2 4.23Å; L101-L507 HydrophobicContact CD2-CD1 3.69Å; L101-L507 HydrophobicContact CG-CD1 3.9Å
102E91.1Very high83.8Confident79 Ų7965.6 Ų65.637%0.36934%0.341SS..Hα-helixtrans-62.2-48.4176.6-75.2175.7-177.500111.7S98 I99 Y104 Y105 E106 L430S98-E102 WeakPolarHBondContact O-CG 3.49Å; S98-E102 PolarHBondContact O-N 3.46Å; I99-E102 PolarHBondContact O-N 3.3Å; E102-Y104 VanDerWaalsContact C-N 3.35Å; E102-Y104 PolarHBondContact O-N 3.45Å; E102-Y105 WeakPolarHBondContact O-CB 3.31Å; E102-Y105 PolarHBondContact O-N 3.35Å; E102-E106 WeakPolarHBondContact O-CG 3.34Å; E102-E106 PolarHBondContact O-N 2.89Å; E102-L430 HydrophobicContact CG-CD2 4.41Å
103S90.3Very high86Confident44 Ų4461.5 Ų61.531%0.30833%0.325SS..Hα-helixtrans-59.8-46177.2-179.20000111.5I99 Y105 E106 H107I99-S103 WeakPolarHBondContact O-CB 3.16Å; I99-S103 PolarHBondContact O-N 2.89Å; S103-Y105 VanDerWaalsContact C-N 3.32Å; S103-Y105 PolarHBondContact O-N 2.96Å; S103-E106 PolarHBondContact O-N 3.34Å; S103-H107 PolarHBondContact O-N 3.03Å; S103-H107 VanDerWaalsContact O-N 3.12Å; S103-H107 PolarHBondContact O-ND1 2.82Å
104Y92.1Very high87.6Confident4 Ų457.2 Ų57.22%0.01631%0.305CS..Hα-helixtrans-63.8-39.7177.6-179.9-112.6000111.9L100 L101 E102 E108 V109 L378 A381 L385 L507L100-Y104 VanDerWaalsContact O-CB 3.29Å; L100-Y104 WeakPolarHBondContact O-CB 3.15Å; L100-Y104 PolarHBondContact O-N 2.84Å; L101-Y104 PolarHBondContact O-N 2.84Å; E102-Y104 VanDerWaalsContact C-N 3.35Å; E102-Y104 PolarHBondContact O-N 3.45Å; Y104-E108 HydrophobicContact CD2-CB 3.93Å; Y104-E108 HydrophobicContact CD2-CG 4.25Å; Y104-E108 HydrophobicContact CE2-CB 3.69Å; Y104-E108 HydrophobicContact CE2-CG 4.13Å; Y104-E108 PolarHBondContact O-N 3.18Å; Y104-V109 HydrophobicContact CD1-CG2 3.71Å; Y104-V109 HydrophobicContact CE1-CG2 3.51Å; Y104-V109 PolarHBondContact O-N 2.91Å; Y104-L378 HydrophobicContact CD1-CD2 4.02Å; Y104-A381 HydrophobicContact CE1-CB 3.8Å; Y104-L385 HydrophobicContact CE1-CD1 4.38Å; Y104-L507 HydrophobicContact CD1-CD2 3.49Å; Y104-L507 VanDerWaalsContact CD1-CD2 3.49Å; Y104-L507 HydrophobicContact CD2-CD2 4.08Å; Y104-L507 HydrophobicContact CE1-CD2 4.03Å; Y104-L507 HydrophobicContact CG-CD2 3.51Å
105Y93.2Very high88.9Confident27 Ų2752 Ų5211%0.10628%0.282CS..Iπ-helixtrans-59.6-53.1176.7178.1-100.4000110.9L101 E102 S103 H107 V109 R110 K374 Q377 L378L101-Y105 VanDerWaalsContact O-CB 3.27Å; L101-Y105 WeakPolarHBondContact O-CB 3.45Å; L101-Y105 PolarHBondContact O-N 3.44Å; E102-Y105 WeakPolarHBondContact O-CB 3.31Å; E102-Y105 PolarHBondContact O-N 3.35Å; S103-Y105 VanDerWaalsContact C-N 3.32Å; S103-Y105 PolarHBondContact O-N 2.96Å; Y105-H107 PolarHBondContact O-N 3.43Å; Y105-V109 HydrophobicContact CD2-CB 3.88Å; Y105-V109 HydrophobicContact CD2-CG1 3.92Å; Y105-V109 HydrophobicContact CE2-CB 4.45Å; Y105-V109 HydrophobicContact CE2-CG1 4.15Å; Y105-V109 PolarHBondContact O-N 3.21Å; Y105-V109 VanDerWaalsContact O-N 3.12Å; Y105-R110 HydrophobicContact CD1-CB 4.19Å; Y105-R110 HydrophobicContact CE1-CB 3.85Å; Y105-R110 HydrophobicContact CE1-CG 4.01Å; Y105-R110 HydrophobicContact CE2-CB 4.47Å; Y105-R110 VanDerWaalsContact O-CB 3.26Å; Y105-R110 WeakPolarHBondContact O-CB 3.32Å; Y105-R110 PolarHBondContact O-N 3.42Å; Y105-K374 HydrophobicContact CD1-CD 4.34Å; Y105-K374 HydrophobicContact CD1-CG 4.16Å; Y105-K374 HydrophobicContact CD2-CG 3.82Å; Y105-K374 HydrophobicContact CE1-CD 4.34Å; Y105-K374 HydrophobicContact CE1-CG 4.07Å; Y105-K374 HydrophobicContact CE2-CB 4.43Å; Y105-K374 HydrophobicContact CE2-CG 3.74Å; Y105-K374 HydrophobicContact CG-CG 4.03Å; Y105-Q377 HydrophobicContact CE2-CB 4.1Å; Y105-Q377 VanDerWaalsContact CE2-OE1 3.3Å; Y105-Q377 PolarHBondContact OH-OE1 2.74Å; Y105-L378 HydrophobicContact CD2-CD2 4.44Å; Y105-L378 HydrophobicContact CD2-CG 4.2Å
106E91.4Very high89.7Confident82 Ų8250 Ų5038%0.38327%0.268SS..Iπ-helixtrans-64.2-36.7-176.5-70.4-58.6138.700113.5E102 S103 R110E102-E106 WeakPolarHBondContact O-CG 3.34Å; E102-E106 PolarHBondContact O-N 2.89Å; S103-E106 PolarHBondContact O-N 3.34Å; E106-R110 VanDerWaalsContact CD-NH1 3.29Å; E106-R110 IonicContact OE1-CZ 3.2Å; E106-R110 IonicContact OE1-NH1 2.73Å; E106-R110 PolarHBondContact OE1-NH1 2.92Å; E106-R110 WeakPolarHBondContact OE2-CD 3.42Å; E106-R110 IonicContact OE2-CZ 3.53Å; E106-R110 IonicContact OE2-NE 3.82Å; E106-R110 IonicContact OE2-NH1 3.83Å; E106-R110 PolarHBondContact OE2-NH1 3.32Å
107H88.3Confident90.1Very high84 Ų8450 Ų5039%0.38927%0.268SS..Iπ-helixtrans-91-35.3-173.6-65.989.8000114.2S103 Y105S103-H107 PolarHBondContact O-N 3.03Å; S103-H107 VanDerWaalsContact O-N 3.12Å; S103-H107 PolarHBondContact O-ND1 2.82Å; Y105-H107 PolarHBondContact O-N 3.43Å
108E89.3Confident90.3Very high40 Ų4050.5 Ų50.519%0.18727%0.269CS..Iπ-helixtrans-122.1-19.7-169.7-68.3-68.1148.900113.8Y104 R169 R514Y104-E108 HydrophobicContact CD2-CB 3.93Å; Y104-E108 HydrophobicContact CD2-CG 4.25Å; Y104-E108 HydrophobicContact CE2-CB 3.69Å; Y104-E108 HydrophobicContact CE2-CG 4.13Å; Y104-E108 PolarHBondContact O-N 3.18Å; E108-R169 WeakPolarHBondContact O-CG 3.26Å; E108-R514 IonicContact OE1-CZ 2.88Å; E108-R514 IonicContact OE1-NE 3.77Å; E108-R514 PolarHBondContact OE1-NE 3.2Å; E108-R514 IonicContact OE1-NH2 3.97Å; E108-R514 PolarHBondContact OE1-NH2 3.02Å; E108-R514 IonicContact OE2-NH2 3.64Å; E108-R514 PolarHBondContact OE2-NH2 3.43Å
109V92.4Very high90.5Very high0 Ų048.4 Ų48.40%025%0.254CS..Iπ-helixtrans-105.9-47.5-175.9-173.80000112.4Y104 Y105 L111 I168 R169 Q377 L378 A381Y104-V109 HydrophobicContact CD1-CG2 3.71Å; Y104-V109 HydrophobicContact CE1-CG2 3.51Å; Y104-V109 PolarHBondContact O-N 2.91Å; Y105-V109 HydrophobicContact CD2-CB 3.88Å; Y105-V109 HydrophobicContact CD2-CG1 3.92Å; Y105-V109 HydrophobicContact CE2-CB 4.45Å; Y105-V109 HydrophobicContact CE2-CG1 4.15Å; Y105-V109 PolarHBondContact O-N 3.21Å; Y105-V109 VanDerWaalsContact O-N 3.12Å; V109-L111 PolarHBondContact O-N 3.19Å; V109-I168 HydrophobicContact CG1-CB 4.01Å; V109-I168 HydrophobicContact CG1-CG2 3.64Å; V109-I168 WeakPolarHBondContact O-CA 3.44Å; V109-R169 PolarHBondContact O-N 3.41Å; V109-Q377 HydrophobicContact CG1-CB 3.83Å; V109-L378 HydrophobicContact CG2-CD2 4.32Å; V109-A381 HydrophobicContact CG1-CB 4.25Å; V109-A381 HydrophobicContact CG2-CB 3.59Å
110R91.8Very high90.8Very high121 Ų12146 Ų4646%0.45724%0.24SC..PPolyproline II helixtrans-62.4121.5-173.4-175179.5179.1169.21.6109.7Y105 E106Y105-R110 HydrophobicContact CD1-CB 4.19Å; Y105-R110 HydrophobicContact CE1-CB 3.85Å; Y105-R110 HydrophobicContact CE1-CG 4.01Å; Y105-R110 HydrophobicContact CE2-CB 4.47Å; Y105-R110 VanDerWaalsContact O-CB 3.26Å; Y105-R110 WeakPolarHBondContact O-CB 3.32Å; Y105-R110 PolarHBondContact O-N 3.42Å; E106-R110 VanDerWaalsContact CD-NH1 3.29Å; E106-R110 IonicContact OE1-CZ 3.2Å; E106-R110 IonicContact OE1-NH1 2.73Å; E106-R110 PolarHBondContact OE1-NH1 2.92Å; E106-R110 WeakPolarHBondContact OE2-CD 3.42Å; E106-R110 IonicContact OE2-CZ 3.53Å; E106-R110 IonicContact OE2-NE 3.82Å; E106-R110 IonicContact OE2-NH1 3.83Å; E106-R110 PolarHBondContact OE2-NH1 3.32Å
111L89.8Confident90.9Very high21 Ų2147.8 Ų47.811%0.1126%0.258CS..PPolyproline II helixtrans-89.4133172.5-179.759.6000109.3V109 P113 L116 K167 P171V109-L111 PolarHBondContact O-N 3.19Å; L111-P113 WeakPolarHBondContact O-CD 3.4Å; L111-L116 HydrophobicContact CD2-CB 3.84Å; L111-L116 HydrophobicContact CD2-CD1 3.86Å; L111-L116 HydrophobicContact CD2-CD2 4.12Å; L111-L116 HydrophobicContact CD2-CG 4.13Å; L111-L116 HydrophobicContact CG-CB 4.19Å; L111-K167 HydrophobicContact CD2-CB 4.38Å; L111-K167 HydrophobicContact CD2-CG 4.07Å; L111-P171 HydrophobicContact CD1-CG 4.2Å; L111-P171 HydrophobicContact CD2-CB 4.08Å; L111-P171 HydrophobicContact CD2-CG 4.45Å
112S89.2Confident90.8Very high55 Ų5549.7 Ų49.739%0.38527%0.267SS..PPolyproline II helixtrans-59122.9174.1173.10000110.5H114 V115 L116S112-H114 PolarHBondContact O-N 3.14Å; S112-V115 PolarHBondContact O-N 2.86Å; S112-L116 PolarHBondContact O-N 3.46Å
113P89.5Confident90.9Very high93 Ų9346 Ų4660%0.60425%0.25SC*.Hα-helixtrans-58.8-35.3178.8-25.534.6000112.8L111 L116 G117L111-P113 WeakPolarHBondContact O-CD 3.4Å; P113-L116 PolarHBondContact O-N 3.1Å; P113-G117 PolarHBondContact O-N 2.87Å
114H89.4Confident91.1Very high97 Ų9745.2 Ų45.245%0.44925%0.245SC..Hα-helixtrans-61.6-50177.1174.575.6000111.6S112 L116 G117 H118S112-H114 PolarHBondContact O-N 3.14Å; H114-L116 PolarHBondContact O-N 2.94Å; H114-G117 PolarHBondContact O-N 2.8Å; H114-H118 AromaticContact CE1-CE1 3.13Å; H114-H118 PolarHBondContact CE1-CE1 3.01Å; H114-H118 AromaticContact CE1-ND1 3.74Å; H114-H118 AromaticContact CE1-NE2 3.39Å; H114-H118 PolarHBondContact CE1-NE2 2.89Å; H114-H118 AromaticContact NE2-CE1 3.38Å; H114-H118 PolarHBondContact NE2-CE1 2.86Å; H114-H118 AromaticContact NE2-ND1 3.61Å; H114-H118 PolarHBondContact O-N 3.32Å
115V89Confident91.2Very high25 Ų2552.3 Ų52.315%0.15227%0.271CS..Hα-helixtrans-62.4-46.2179.3-174.30000110.1S112 G117 H118 S119 P171 C300 L303S112-V115 PolarHBondContact O-N 2.86Å; V115-G117 VanDerWaalsContact C-N 3.34Å; V115-G117 PolarHBondContact O-N 2.84Å; V115-H118 PolarHBondContact O-N 3.21Å; V115-S119 PolarHBondContact O-N 2.99Å; V115-S119 PolarHBondContact O-OG 2.82Å; V115-S119 VanDerWaalsContact O-OG 3.1Å; V115-P171 HydrophobicContact CG1-CG 3.83Å; V115-C300 HydrophobicContact CB-CB 4.44Å; V115-C300 HydrophobicContact CG1-CB 4.26Å; V115-C300 HydrophobicContact CG2-CB 3.82Å; V115-L303 HydrophobicContact CG1-CD1 3.6Å
116L91.1Very high91.2Very high20 Ų2051.2 Ų51.211%0.10527%0.267CS..Hα-helixtrans-61.3-42.2178-179.360.4000112L111 S112 P113 H114 S119 K120 A162 P171 F174L111-L116 HydrophobicContact CD2-CB 3.84Å; L111-L116 HydrophobicContact CD2-CD1 3.86Å; L111-L116 HydrophobicContact CD2-CD2 4.12Å; L111-L116 HydrophobicContact CD2-CG 4.13Å; L111-L116 HydrophobicContact CG-CB 4.19Å; S112-L116 PolarHBondContact O-N 3.46Å; P113-L116 PolarHBondContact O-N 3.1Å; H114-L116 PolarHBondContact O-N 2.94Å; L116-S119 PolarHBondContact O-N 3.1Å; L116-K120 HydrophobicContact CD1-CD 4.46Å; L116-K120 HydrophobicContact CD1-CG 4.28Å; L116-K120 HydrophobicContact CG-CD 4.22Å; L116-K120 HydrophobicContact CG-CG 4.47Å; L116-K120 WeakPolarHBondContact O-CB 3.38Å; L116-K120 VanDerWaalsContact O-CG 3.26Å; L116-K120 WeakPolarHBondContact O-CG 2.81Å; L116-K120 PolarHBondContact O-N 3.03Å; L116-A162 HydrophobicContact CD1-CB 4.2Å; L116-P171 HydrophobicContact CD1-CB 4.11Å; L116-F174 HydrophobicContact CD1-CE1 4.38Å
117G92.1Very high91.4Very high36 Ų3647.3 Ų47.337%0.37125%0.249SC..Hα-helixtrans-60.6-47.4177.800000112.4P113 H114 V115 K120 A121P113-G117 PolarHBondContact O-N 2.87Å; H114-G117 PolarHBondContact O-N 2.8Å; V115-G117 VanDerWaalsContact C-N 3.34Å; V115-G117 PolarHBondContact O-N 2.84Å; G117-K120 PolarHBondContact O-N 3.49Å; G117-A121 PolarHBondContact O-N 3.31Å
118H90.2Very high91.7Very high63 Ų6344.1 Ų44.129%0.29224%0.239SC..Hα-helixtrans-61.8-45.9175-79.2-170.2000112.4H114 V115 K120 A121 H122 C300 C301H114-H118 AromaticContact CE1-CE1 3.13Å; H114-H118 PolarHBondContact CE1-CE1 3.01Å; H114-H118 AromaticContact CE1-ND1 3.74Å; H114-H118 AromaticContact CE1-NE2 3.39Å; H114-H118 PolarHBondContact CE1-NE2 2.89Å; H114-H118 AromaticContact NE2-CE1 3.38Å; H114-H118 PolarHBondContact NE2-CE1 2.86Å; H114-H118 AromaticContact NE2-ND1 3.61Å; H114-H118 PolarHBondContact O-N 3.32Å; V115-H118 PolarHBondContact O-N 3.21Å; H118-K120 PolarHBondContact O-N 3.09Å; H118-A121 PolarHBondContact O-N 3.48Å; H118-H122 PolarHBondContact O-N 3.47Å; H118-C300 PolarHBondContact ND1-SG 3.27Å; H118-C300 VanDerWaalsContact ND1-SG 3.44Å; H118-C301 PolarHBondContact ND1-SG 3.22Å
119S90.4Very high91.9Very high5 Ų544.5 Ų44.54%0.03524%0.24CC..Hα-helixtrans-60.4-44.1177.4-62.30000111.8V115 L116 A121 H122 V123V115-S119 PolarHBondContact O-N 2.99Å; V115-S119 PolarHBondContact O-OG 2.82Å; V115-S119 VanDerWaalsContact O-OG 3.1Å; L116-S119 PolarHBondContact O-N 3.1Å; S119-A121 PolarHBondContact O-N 3.27Å; S119-H122 PolarHBondContact O-N 3.39Å; S119-V123 VanDerWaalsContact O-CG2 3.32Å; S119-V123 WeakPolarHBondContact O-CG2 3.37Å; S119-V123 PolarHBondContact O-N 3.05Å
120K93.8Very high92Very high45 Ų4544.6 Ų44.620%0.19624%0.241CC..Hα-helixtrans-59-45.5175.2-75.6175.8176.2179.70112.1L116 G117 H118 H122 V123 S124 A162 Y163 F174L116-K120 HydrophobicContact CD1-CD 4.46Å; L116-K120 HydrophobicContact CD1-CG 4.28Å; L116-K120 HydrophobicContact CG-CD 4.22Å; L116-K120 HydrophobicContact CG-CG 4.47Å; L116-K120 WeakPolarHBondContact O-CB 3.38Å; L116-K120 VanDerWaalsContact O-CG 3.26Å; L116-K120 WeakPolarHBondContact O-CG 2.81Å; L116-K120 PolarHBondContact O-N 3.03Å; G117-K120 PolarHBondContact O-N 3.49Å; H118-K120 PolarHBondContact O-N 3.09Å; K120-H122 VanDerWaalsContact C-N 3.33Å; K120-H122 PolarHBondContact O-N 2.98Å; K120-V123 PolarHBondContact O-N 2.77Å; K120-S124 WeakPolarHBondContact O-CB 3.41Å; K120-S124 PolarHBondContact O-N 2.77Å; K120-S124 PolarHBondContact O-OG 3.21Å; K120-A162 WeakPolarHBondContact CE-O 3.41Å; K120-A162 PolarHBondContact NZ-O 3.29Å; K120-Y163 HydrophobicContact CB-CE1 4.21Å; K120-Y163 HydrophobicContact CD-CD1 4Å; K120-Y163 HydrophobicContact CD-CE1 4.18Å; K120-Y163 HydrophobicContact CG-CD1 4.04Å; K120-Y163 HydrophobicContact CG-CE1 3.73Å; K120-F174 HydrophobicContact CG-CE1 4.03Å
121A91.9Very high92.2Very high61 Ų6138.9 Ų38.950%0.50422%0.219SC..Hα-helixtrans-62.3-42.6179.200000111.4G117 H118 S119 S124 R125G117-A121 PolarHBondContact O-N 3.31Å; H118-A121 PolarHBondContact O-N 3.48Å; S119-A121 PolarHBondContact O-N 3.27Å; A121-S124 PolarHBondContact O-N 2.85Å; A121-R125 PolarHBondContact O-N 2.92Å
122H90.4Very high92.3Very high42 Ų4242.4 Ų42.419%0.19424%0.235CC..Hα-helixtrans-65.4-46.1178.8-162.368.5000112.2H118 S119 K120 S124 R125 I126 M305H118-H122 PolarHBondContact O-N 3.47Å; S119-H122 PolarHBondContact O-N 3.39Å; K120-H122 VanDerWaalsContact C-N 3.33Å; K120-H122 PolarHBondContact O-N 2.98Å; H122-S124 VanDerWaalsContact C-N 3.32Å; H122-S124 PolarHBondContact O-N 3.44Å; H122-R125 PolarHBondContact O-N 2.9Å; H122-I126 VanDerWaalsContact CD2-CD1 3.49Å; H122-I126 WeakPolarHBondContact CD2-CD1 3.22Å; H122-I126 VanDerWaalsContact NE2-CD1 3.25Å; H122-I126 WeakPolarHBondContact NE2-CD1 3.48Å; H122-I126 WeakPolarHBondContact O-CG1 3.07Å; H122-I126 PolarHBondContact O-N 3.15Å; H122-I126 VanDerWaalsContact O-N 3.11Å; H122-M305 HydrophobicContact CB-CE 4.36Å
123V93.7Very high92.4Very high0 Ų040.5 Ų40.50%022%0.223CC..Hα-helixtrans-58.4-46.2174.3170.60000110.5S119 K120 R125 I126 V127 Y163 F174 V176 I291 M305 V307S119-V123 VanDerWaalsContact O-CG2 3.32Å; S119-V123 WeakPolarHBondContact O-CG2 3.37Å; S119-V123 PolarHBondContact O-N 3.05Å; K120-V123 PolarHBondContact O-N 2.77Å; V123-R125 VanDerWaalsContact C-N 3.33Å; V123-R125 PolarHBondContact O-N 3.44Å; V123-I126 PolarHBondContact O-N 3.44Å; V123-V127 HydrophobicContact CG1-CG2 4Å; V123-V127 VanDerWaalsContact O-CB 3.3Å; V123-V127 WeakPolarHBondContact O-CB 3.43Å; V123-V127 VanDerWaalsContact O-CG2 3.23Å; V123-V127 WeakPolarHBondContact O-CG2 3.44Å; V123-V127 PolarHBondContact O-N 3Å; V123-Y163 WeakPolarHBondContact CG1-OH 3.23Å; V123-F174 HydrophobicContact CG1-CB 4.41Å; V123-F174 HydrophobicContact CG1-CG 4.46Å; V123-F174 HydrophobicContact CG2-CD1 4.35Å; V123-F174 HydrophobicContact CG2-CD2 3.76Å; V123-F174 HydrophobicContact CG2-CE2 3.96Å; V123-F174 HydrophobicContact CG2-CG 3.98Å; V123-F174 HydrophobicContact CG2-CZ 4.34Å; V123-V176 HydrophobicContact CG1-CG2 4.48Å; V123-I291 HydrophobicContact CG2-CD1 4.35Å; V123-M305 HydrophobicContact CG2-SD 3.97Å; V123-V307 HydrophobicContact CB-CG2 4.41Å; V123-V307 HydrophobicContact CG1-CG1 3.96Å; V123-V307 HydrophobicContact CG1-CG2 3.77Å; V123-V307 HydrophobicContact CG2-CG2 3.79Å
124S94.9Very high92.4Very high29 Ų2936.1 Ų36.120%0.20320%0.195CC..Hα-helixtrans-61.1-42-178.8-56.90000112.5K120 A121 H122 G128 F156 Q158K120-S124 WeakPolarHBondContact O-CB 3.41Å; K120-S124 PolarHBondContact O-N 2.77Å; K120-S124 PolarHBondContact O-OG 3.21Å; A121-S124 PolarHBondContact O-N 2.85Å; H122-S124 VanDerWaalsContact C-N 3.32Å; H122-S124 PolarHBondContact O-N 3.44Å; S124-G128 WeakPolarHBondContact O-CA 3.48Å; S124-G128 PolarHBondContact O-N 3.4Å; S124-F156 WeakPolarHBondContact O-CZ 3.4Å; S124-Q158 PolarHBondContact OG-NE2 3.4Å
125R92.7Very high92.4Very high153 Ų15337 Ų3758%0.57719%0.194SC*.Hα-helixtrans-64.7-49.8178.7-174.7174.2-178.5171.70.5111.5A121 H122 V123 G128 E129A121-R125 PolarHBondContact O-N 2.92Å; H122-R125 PolarHBondContact O-N 2.9Å; V123-R125 VanDerWaalsContact C-N 3.33Å; V123-R125 PolarHBondContact O-N 3.44Å; R125-G128 PolarHBondContact O-N 3.38Å; R125-E129 IonicContact NE-OE1 3.5Å; R125-E129 WeakPolarHBondContact O-CG 3.36Å; R125-E129 PolarHBondContact O-N 3.3Å
126I93.3Very high92.2Very high3 Ų339.3 Ų39.32%0.01522%0.216CC..Hα-helixtrans-68.4-45.6-176.5-67.1168.8000111.2H122 V123 G128 E129 L130 L270 C274 V276 L289 I291H122-I126 VanDerWaalsContact CD2-CD1 3.49Å; H122-I126 WeakPolarHBondContact CD2-CD1 3.22Å; H122-I126 VanDerWaalsContact NE2-CD1 3.25Å; H122-I126 WeakPolarHBondContact NE2-CD1 3.48Å; H122-I126 WeakPolarHBondContact O-CG1 3.07Å; H122-I126 PolarHBondContact O-N 3.15Å; H122-I126 VanDerWaalsContact O-N 3.11Å; V123-I126 PolarHBondContact O-N 3.44Å; I126-G128 VanDerWaalsContact C-N 3.28Å; I126-G128 PolarHBondContact O-N 2.82Å; I126-E129 PolarHBondContact O-N 3.08Å; I126-L130 WeakPolarHBondContact O-CB 3.22Å; I126-L130 PolarHBondContact O-N 2.84Å; I126-L270 HydrophobicContact CG1-CD2 4.14Å; I126-L270 HydrophobicContact CG2-CD1 4.27Å; I126-C274 HydrophobicContact CD1-CB 4.31Å; I126-C274 WeakPolarHBondContact CD1-SG 3.11Å; I126-V276 HydrophobicContact CG2-CG2 4.4Å; I126-L289 HydrophobicContact CG2-CD2 4.04Å; I126-I291 HydrophobicContact CB-CD1 4.14Å; I126-I291 HydrophobicContact CD1-CB 4.43Å; I126-I291 HydrophobicContact CD1-CD1 3.89Å; I126-I291 HydrophobicContact CD1-CG1 4.19Å; I126-I291 HydrophobicContact CD1-CG2 3.4Å; I126-I291 HydrophobicContact CG2-CD1 4.01Å; I126-I291 HydrophobicContact CG2-CG1 4.39Å
127V95.6Very high91.3Very high0 Ų044.6 Ų44.60%023%0.234CC..Hα-helixtrans-65.8-36.2177.8177.60000110.6V123 L130 V131 F156 V176 L289 V307 L309V123-V127 HydrophobicContact CG1-CG2 4Å; V123-V127 VanDerWaalsContact O-CB 3.3Å; V123-V127 WeakPolarHBondContact O-CB 3.43Å; V123-V127 VanDerWaalsContact O-CG2 3.23Å; V123-V127 WeakPolarHBondContact O-CG2 3.44Å; V123-V127 PolarHBondContact O-N 3Å; V127-L130 PolarHBondContact O-N 2.8Å; V127-V131 HydrophobicContact CG1-CG2 3.9Å; V127-V131 WeakPolarHBondContact O-CB 3.26Å; V127-V131 WeakPolarHBondContact O-CG2 3.19Å; V127-V131 PolarHBondContact O-N 2.87Å; V127-F156 HydrophobicContact CG1-CB 4.34Å; V127-F156 HydrophobicContact CG1-CD1 4.02Å; V127-F156 HydrophobicContact CG1-CD2 4.24Å; V127-F156 HydrophobicContact CG1-CE1 4.41Å; V127-F156 HydrophobicContact CG1-CG 3.94Å; V127-V176 HydrophobicContact CG1-CG1 4.04Å; V127-L289 HydrophobicContact CG2-CD2 4.33Å; V127-V307 HydrophobicContact CG2-CG1 4.04Å; V127-L309 HydrophobicContact CG1-CD2 3.96Å; V127-L309 HydrophobicContact CG2-CD2 4.14Å
128G95.2Very high89.9Confident17 Ų1744 Ų4418%0.17523%0.228CC..Hα-helixtrans-59.1-51.7172.400000112.7S124 R125 I126 L130 V131 Q132S124-G128 WeakPolarHBondContact O-CA 3.48Å; S124-G128 PolarHBondContact O-N 3.4Å; R125-G128 PolarHBondContact O-N 3.38Å; I126-G128 VanDerWaalsContact C-N 3.28Å; I126-G128 PolarHBondContact O-N 2.82Å; G128-L130 VanDerWaalsContact C-N 3.3Å; G128-L130 PolarHBondContact O-N 3.23Å; G128-V131 PolarHBondContact O-N 2.93Å; G128-Q132 WeakPolarHBondContact O-CB 3.35Å; G128-Q132 VanDerWaalsContact O-CG 3.24Å; G128-Q132 WeakPolarHBondContact O-CG 3.17Å; G128-Q132 PolarHBondContact O-N 3.43Å
129E94.3Very high88.2Confident48 Ų4844.9 Ų44.922%0.22424%0.241CC..Hα-helixtrans-57.9-42.6176.5-71.7178.1-147.800111.5R125 I126 A133 L270 R273R125-E129 IonicContact NE-OE1 3.5Å; R125-E129 WeakPolarHBondContact O-CG 3.36Å; R125-E129 PolarHBondContact O-N 3.3Å; I126-E129 PolarHBondContact O-N 3.08Å; E129-A133 WeakPolarHBondContact O-CB 3.39Å; E129-A133 PolarHBondContact O-N 3.49Å; E129-L270 WeakPolarHBondContact OE2-CD2 3.44Å; E129-R273 IonicContact OE1-CZ 3.5Å; E129-R273 IonicContact OE1-NH1 2.75Å; E129-R273 PolarHBondContact OE1-NH1 2.75Å; E129-R273 IonicContact OE1-NH2 3.29Å; E129-R273 PolarHBondContact OE1-NH2 2.93Å; E129-R273 IonicContact OE2-CZ 3.71Å; E129-R273 IonicContact OE2-NH1 3.71Å; E129-R273 IonicContact OE2-NH2 2.82Å; E129-R273 PolarHBondContact OE2-NH2 3.27Å
130L94.4Very high86.3Confident2 Ų249.2 Ų49.21%0.0127%0.269CS..Hα-helixtrans-65-46.8178.8-178.662.8000113I126 V127 G128 A133 G134 L259 L263 V266 L289 L309I126-L130 WeakPolarHBondContact O-CB 3.22Å; I126-L130 PolarHBondContact O-N 2.84Å; V127-L130 PolarHBondContact O-N 2.8Å; G128-L130 VanDerWaalsContact C-N 3.3Å; G128-L130 PolarHBondContact O-N 3.23Å; L130-A133 PolarHBondContact O-N 3.1Å; L130-G134 PolarHBondContact O-N 3.4Å; L130-L259 HydrophobicContact CD2-CD2 3.93Å; L130-L259 HydrophobicContact CG-CD2 4.12Å; L130-L263 HydrophobicContact CD1-CB 3.92Å; L130-L263 HydrophobicContact CD1-CD1 4.48Å; L130-V266 HydrophobicContact CD1-CG2 4.19Å; L130-L289 HydrophobicContact CD2-CD1 4.36Å; L130-L289 HydrophobicContact CD2-CD2 4.14Å; L130-L309 HydrophobicContact CD2-CD1 3.82Å
131V94.4Very high83.9Confident1 Ų148.9 Ų48.91%0.00628%0.279CS..Hα-helixtrans-69.9-36.5-177.8174.10000110.7V127 G128 G134 R135 F152 F156 V178V127-V131 HydrophobicContact CG1-CG2 3.9Å; V127-V131 WeakPolarHBondContact O-CB 3.26Å; V127-V131 WeakPolarHBondContact O-CG2 3.19Å; V127-V131 PolarHBondContact O-N 2.87Å; G128-V131 PolarHBondContact O-N 2.93Å; V131-G134 PolarHBondContact O-N 3.21Å; V131-R135 PolarHBondContact O-N 3.48Å; V131-F152 HydrophobicContact CG1-CB 4.41Å; V131-F152 HydrophobicContact CG1-CD2 4.29Å; V131-F156 HydrophobicContact CG2-CB 4.43Å; V131-V178 HydrophobicContact CG1-CG1 4.35Å; V131-V178 HydrophobicContact CG2-CG1 4.13Å; V131-V178 HydrophobicContact CG2-CG2 4.22Å
132Q92.8Very high81.3Confident95 Ų9552.8 Ų52.844%0.44430%0.299SS..Hα-helixtrans-66.2-42.5174.5-68.5-63.3-7.500111.9G128 G134 R135 A136 G154G128-Q132 WeakPolarHBondContact O-CB 3.35Å; G128-Q132 VanDerWaalsContact O-CG 3.24Å; G128-Q132 WeakPolarHBondContact O-CG 3.17Å; G128-Q132 PolarHBondContact O-N 3.43Å; Q132-G134 VanDerWaalsContact C-N 3.3Å; Q132-G134 PolarHBondContact O-N 2.99Å; Q132-R135 WeakPolarHBondContact O-CB 3.31Å; Q132-R135 PolarHBondContact O-N 3.46Å; Q132-R135 VanDerWaalsContact O-N 3.17Å; Q132-A136 PolarHBondContact O-N 3.33Å; Q132-G154 PolarHBondContact NE2-O 2.87Å
133A91.8Very high78.9Confident16 Ų1657.5 Ų57.513%0.13232%0.324CS..Hα-helixtrans-61.1-40.3173.800000112E129 L130 R135 A136 R137 V266E129-A133 WeakPolarHBondContact O-CB 3.39Å; E129-A133 PolarHBondContact O-N 3.49Å; L130-A133 PolarHBondContact O-N 3.1Å; A133-R135 VanDerWaalsContact C-N 3.34Å; A133-R135 PolarHBondContact O-N 2.89Å; A133-A136 PolarHBondContact O-N 2.86Å; A133-R137 PolarHBondContact O-N 3.36Å; A133-V266 HydrophobicContact CB-CG1 3.42Å; A133-V266 VanDerWaalsContact CB-CG1 3.42Å
134G89.1Confident76.2Confident0 Ų065 Ų650%037%0.37CS..Hα-helixtrans-67.7-31.1175.100000113.8L130 V131 Q132 G138 H258 S262L130-G134 PolarHBondContact O-N 3.4Å; V131-G134 PolarHBondContact O-N 3.21Å; Q132-G134 VanDerWaalsContact C-N 3.3Å; Q132-G134 PolarHBondContact O-N 2.99Å; G134-G138 PolarHBondContact O-N 2.89Å; G134-H258 PolarHBondContact O-NE2 3.05Å; G134-S262 WeakPolarHBondContact CA-OG 3.43Å
135R89.8Confident73.8Confident115 Ų11566.4 Ų66.443%0.43439%0.389SS..Hα-helixtrans-67.9-46.2171.3174.7179.8175-171.93.3111.7V131 Q132 A133 R137 G138 S139 F152V131-R135 PolarHBondContact O-N 3.48Å; Q132-R135 WeakPolarHBondContact O-CB 3.31Å; Q132-R135 PolarHBondContact O-N 3.46Å; Q132-R135 VanDerWaalsContact O-N 3.17Å; A133-R135 VanDerWaalsContact C-N 3.34Å; A133-R135 PolarHBondContact O-N 2.89Å; R135-R137 VanDerWaalsContact C-N 3.29Å; R135-R137 PolarHBondContact O-N 3.17Å; R135-G138 CarbonylContact O-C 3.53Å; R135-G138 PolarHBondContact O-N 3.47Å; R135-G138 VanDerWaalsContact O-N 3.08Å; R135-S139 PolarHBondContact O-N 3.47Å; R135-F152 HydrophobicContact CB-CB 4.36Å
136A83.7Confident71.7Confident74 Ų7460.6 Ų60.661%0.61238%0.377SS*.Hα-helixtrans-60.2-39.9-178.900000111.9Q132 A133 G138 S139Q132-A136 PolarHBondContact O-N 3.33Å; A133-A136 PolarHBondContact O-N 2.86Å; A136-G138 VanDerWaalsContact C-N 3.31Å; A136-G138 PolarHBondContact O-N 3.18Å; A136-S139 WeakPolarHBondContact O-CB 3.21Å; A136-S139 PolarHBondContact O-N 2.85Å
137R73.8Confident69.7Low131 Ų13164 Ų6449%0.49441%0.406SS..Hα-helixtrans-68.4-25.8175.1-76.4179.1167-108.20.9114.6A133 R135 T265A133-R137 PolarHBondContact O-N 3.36Å; R135-R137 VanDerWaalsContact C-N 3.29Å; R135-R137 PolarHBondContact O-N 3.17Å; R137-T265 PolarHBondContact NE-OG1 3.28Å; R137-T265 PolarHBondContact NH2-OG1 2.96Å
138G61.9Low68.2Low23 Ų2366 Ų6624%0.23742%0.416CS..THydrogen-bonded Turntrans-95.37.1178.200000113.6G134 R135 A136G134-G138 PolarHBondContact O-N 2.89Å; R135-G138 CarbonylContact O-C 3.53Å; R135-G138 PolarHBondContact O-N 3.47Å; R135-G138 VanDerWaalsContact O-N 3.08Å; A136-G138 VanDerWaalsContact C-N 3.31Å; A136-G138 PolarHBondContact O-N 3.18Å
139S54.4Low67.2Low82 Ų8267.5 Ų67.557%0.57343%0.427SS*.SBendtrans-70.2136.8174.9-165.20000109.3R135 A136 G141R135-S139 PolarHBondContact O-N 3.47Å; A136-S139 WeakPolarHBondContact O-CB 3.21Å; A136-S139 PolarHBondContact O-N 2.85Å; S139-G141 VanDerWaalsContact C-N 3.3Å; S139-G141 PolarHBondContact O-N 2.8Å
140P50.7Low66.8Low96 Ų9665.4 Ų65.462%0.62342%0.417SS*.  trans-66.390.317725.9-31.7000109.7
141G43.7Very low66.6Low38 Ų3865.6 Ų65.639%0.39242%0.419SS..  trans-78.5169.916200000111S139 I143S139-G141 VanDerWaalsContact C-N 3.3Å; S139-G141 PolarHBondContact O-N 2.8Å; G141-I143 PolarHBondContact O-N 3.15Å
142P37.1Very low66.5Low144 Ų14465.6 Ų65.694%0.93542%0.419SS*.SBendtrans-70.818.4-173.830.6-35.5000114.6
143I40Very low66.4Low140 Ų14064.4 Ų64.472%0.71841%0.411SS*.SBendtrans-84.4131.6175.9-53.5174.8000107.9G141 G145 G146G141-I143 PolarHBondContact O-N 3.15Å; I143-G145 PolarHBondContact O-N 2.93Å; I143-G146 PolarHBondContact O-N 2.83Å; I143-G146 VanDerWaalsContact O-N 3.1Å
144T37.7Very low66.3Low158 Ų15863.9 Ų63.997%0.96941%0.407SS*.THydrogen-bonded Turntrans-60.534.2-172.39.60000116.7
145G43.1Very low66.5Low58 Ų5866.6 Ų66.660%0.59842%0.421SS*.THydrogen-bonded Turntrans-158.74.6173.500000114.8I143I143-G145 PolarHBondContact O-N 2.93Å
146G48.3Very low66.7Low31 Ų3163.5 Ų63.532%0.3241%0.411SS..THydrogen-bonded Turntrans-79.3-13.4-172.400000116.6I143I143-G146 PolarHBondContact O-N 2.83Å; I143-G146 VanDerWaalsContact O-N 3.1Å
147A52.9Low67.3Low76 Ų7660.4 Ų60.463%0.62838%0.384SS*.THydrogen-bonded Turntrans-83.7-14.3-172.900000114.9
148L62.8Low68.3Low41 Ų4157.4 Ų57.422%0.21538%0.375CS..SBendtrans-12718.6-166.9-67.1164.9000113.9D228 P231 F232L148-D228 WeakPolarHBondContact CD1-O 3.42Å; L148-D228 WeakPolarHBondContact CD2-O 3.35Å; L148-P231 HydrophobicContact CD1-CG 4.16Å; L148-F232 WeakPolarHBondContact O-CD2 3.42Å
149A74Confident69.8Low48 Ų4856.6 Ų56.640%0.39737%0.366SS..SBendtrans-104.6156.5-179.200000112.7
150L86.8Confident71.5Confident5 Ų553.4 Ų53.43%0.02635%0.346CS..  trans-62.1146.4166.6-67.9176.8000110.5L180 L182 F232 F236 V251 W254L150-L180 HydrophobicContact CD1-CD1 4.42Å; L150-L182 HydrophobicContact CD2-CD2 3.55Å; L150-F232 HydrophobicContact CD2-CE2 3.79Å; L150-F232 HydrophobicContact CD2-CZ 4.21Å; L150-F232 HydrophobicContact CG-CE2 4Å; L150-F236 HydrophobicContact CB-CZ 4.13Å; L150-F236 HydrophobicContact CD1-CD1 3.53Å; L150-F236 HydrophobicContact CD1-CD2 4.39Å; L150-F236 HydrophobicContact CD1-CE1 3.37Å; L150-F236 HydrophobicContact CD1-CE2 4.27Å; L150-F236 HydrophobicContact CD1-CG 4.04Å; L150-F236 HydrophobicContact CD1-CZ 3.78Å; L150-F236 HydrophobicContact CG-CD1 4.28Å; L150-F236 HydrophobicContact CG-CD2 4.3Å; L150-F236 HydrophobicContact CG-CE1 3.99Å; L150-F236 HydrophobicContact CG-CE2 4.02Å; L150-F236 HydrophobicContact CG-CG 4.43Å; L150-F236 HydrophobicContact CG-CZ 3.85Å; L150-V251 HydrophobicContact CD1-CB 4.43Å; L150-V251 HydrophobicContact CD1-CG1 4.05Å; L150-V251 HydrophobicContact CD1-CG2 3.9Å; L150-W254 HydrophobicContact CB-CD2 4.24Å; L150-W254 HydrophobicContact CB-CE3 4.07Å; L150-W254 HydrophobicContact CB-CH2 3.61Å; L150-W254 HydrophobicContact CB-CZ2 3.77Å; L150-W254 HydrophobicContact CB-CZ3 3.76Å; L150-W254 HydrophobicContact CD1-CD2 4.42Å; L150-W254 HydrophobicContact CD1-CE3 3.99Å; L150-W254 HydrophobicContact CD1-CZ3 4.24Å; L150-W254 WeakPolarHBondContact O-CZ2 3.45Å
151A89.8Confident73.4Confident6 Ų650 Ų505%0.0532%0.324CS..EExtended strand (participates in β ladder)trans-139.8159.4174.300000111L180 R181A151-L180 CarbonylContact O-C 3.56Å; A151-L180 WeakPolarHBondContact O-CA 3.43Å; A151-R181 PolarHBondContact N-O 2.89Å; A151-R181 PolarHBondContact O-N 3.46Å
152F92.9Very high75.8Confident0 Ų048.2 Ų48.20%031%0.307CS..EExtended strand (participates in β ladder)trans-69.9139.3168.1-66.9-5.5000109.9V131 R135 G154 V178 L180 R181 W254 F255 H258 L259V131-F152 HydrophobicContact CG1-CB 4.41Å; V131-F152 HydrophobicContact CG1-CD2 4.29Å; R135-F152 HydrophobicContact CB-CB 4.36Å; F152-G154 PolarHBondContact O-N 2.88Å; F152-V178 HydrophobicContact CD1-CG1 4.2Å; F152-V178 HydrophobicContact CD2-CG1 4.41Å; F152-V178 HydrophobicContact CE1-CG1 4.39Å; F152-V178 HydrophobicContact CG-CG1 4.23Å; F152-L180 HydrophobicContact CD1-CD2 3.84Å; F152-L180 HydrophobicContact CE1-CD2 4.16Å; F152-R181 PolarHBondContact O-NH1 2.73Å; F152-W254 HydrophobicContact CD1-CH2 4.2Å; F152-W254 HydrophobicContact CE1-CH2 4.12Å; F152-W254 HydrophobicContact CE1-CZ3 4.27Å; F152-F255 HydrophobicContact CD1-CD2 4.5Å; F152-F255 HydrophobicContact CD1-CE2 4.33Å; F152-F255 AromaticContact CE1-CD2 3.46Å; F152-F255 HydrophobicContact CE1-CD2 3.46Å; F152-F255 VanDerWaalsContact CE1-CD2 3.46Å; F152-F255 AromaticContact CE1-CE2 3.42Å; F152-F255 HydrophobicContact CE1-CE2 3.42Å; F152-F255 VanDerWaalsContact CE1-CE2 3.42Å; F152-F255 AromaticContact CZ-CD2 3.92Å; F152-F255 HydrophobicContact CZ-CD2 3.92Å; F152-F255 AromaticContact CZ-CE2 3.63Å; F152-F255 HydrophobicContact CZ-CE2 3.63Å; F152-H258 AromaticContact CE1-CD2 3.6Å; F152-H258 AromaticContact CE2-CD2 3.93Å; F152-H258 AromaticContact CZ-CD2 3.55Å; F152-L259 HydrophobicContact CE2-CD2 3.81Å; F152-L259 HydrophobicContact CZ-CD2 3.66Å; F152-L259 HydrophobicContact CZ-CG 3.97Å
153R90.6Very high78.4Confident71 Ų7142.5 Ų42.527%0.26827%0.266SS..  trans-64.8-30.6173.4-168.1168.373.21784.4111.2D155 P179 R181R153-D155 WeakPolarHBondContact CB-OD1 3.35Å; R153-D155 VanDerWaalsContact CG-OD1 3.3Å; R153-D155 WeakPolarHBondContact CG-OD1 3.18Å; R153-D155 IonicContact CZ-OD1 2.64Å; R153-D155 IonicContact CZ-OD2 3.71Å; R153-D155 IonicContact NE-OD1 2.7Å; R153-D155 PolarHBondContact NE-OD1 3.49Å; R153-D155 IonicContact NE-OD2 2.74Å; R153-D155 PolarHBondContact NE-OD2 2.93Å; R153-D155 IonicContact NH2-OD1 2.76Å; R153-D155 IonicContact NH2-OD2 2.78Å; R153-D155 PolarHBondContact NH2-OD2 3.42Å; R153-P179 HydrophobicContact CB-CB 4.02Å; R153-P179 VanDerWaalsContact CB-O 3.29Å; R153-P179 WeakPolarHBondContact CB-O 3.45Å; R153-P179 PolarHBondContact N-O 2.88Å; R153-R181 PolarHBondContact O-NH2 3.16Å
154G88.4Confident80.9Confident5 Ų536.6 Ų36.65%0.05224%0.236CC..SBendtrans107.8-11.1177.400000113.7Q132 F152Q132-G154 PolarHBondContact NE2-O 2.87Å; F152-G154 PolarHBondContact O-N 2.88Å
155D93.5Very high83.3Confident57 Ų5734 Ų3431%0.30521%0.212SC..  trans-114.1173.7173.365.8-36.5000110.2R153 P179R153-D155 WeakPolarHBondContact CB-OD1 3.35Å; R153-D155 VanDerWaalsContact CG-OD1 3.3Å; R153-D155 WeakPolarHBondContact CG-OD1 3.18Å; R153-D155 IonicContact CZ-OD1 2.64Å; R153-D155 IonicContact CZ-OD2 3.71Å; R153-D155 IonicContact NE-OD1 2.7Å; R153-D155 PolarHBondContact NE-OD1 3.49Å; R153-D155 IonicContact NE-OD2 2.74Å; R153-D155 PolarHBondContact NE-OD2 2.93Å; R153-D155 IonicContact NH2-OD1 2.76Å; R153-D155 IonicContact NH2-OD2 2.78Å; R153-D155 PolarHBondContact NH2-OD2 3.42Å; D155-P179 WeakPolarHBondContact O-CD 3.46Å
156F95.5Very high85.7Confident49 Ų4931.4 Ų31.422%0.21519%0.185CC..  trans-144160.2177.464.2-91.6000110.1S124 V127 V131 Q158 V176 L177S124-F156 WeakPolarHBondContact O-CZ 3.4Å; V127-F156 HydrophobicContact CG1-CB 4.34Å; V127-F156 HydrophobicContact CG1-CD1 4.02Å; V127-F156 HydrophobicContact CG1-CD2 4.24Å; V127-F156 HydrophobicContact CG1-CE1 4.41Å; V127-F156 HydrophobicContact CG1-CG 3.94Å; V131-F156 HydrophobicContact CG2-CB 4.43Å; F156-Q158 HydrophobicContact CD2-CG 4.29Å; F156-Q158 HydrophobicContact CE2-CG 3.92Å; F156-V176 HydrophobicContact CB-CG1 3.6Å; F156-V176 HydrophobicContact CD2-CG1 3.58Å; F156-V176 HydrophobicContact CG-CG1 3.92Å; F156-L177 CarbonylContact C-O 3.57Å; F156-L177 WeakPolarHBondContact CA-O 3.47Å; F156-L177 WeakPolarHBondContact CB-O 3.27Å
157I95.2Very high87.8Confident9 Ų930.8 Ų30.85%0.04617%0.174CC..EExtended strand (participates in β ladder)trans-121.6122.3-177.7-51.2165.8000108.3V159 V176 L177 P179 F320 R353I157-V159 HydrophobicContact CG2-CG1 3.96Å; I157-V159 PolarHBondContact O-N 3.3Å; I157-V176 WeakPolarHBondContact O-CA 3.43Å; I157-L177 HydrophobicContact CB-CB 4.14Å; I157-L177 HydrophobicContact CB-CD1 4.47Å; I157-L177 HydrophobicContact CD1-CD1 4.49Å; I157-L177 PolarHBondContact N-O 3.44Å; I157-L177 PolarHBondContact O-N 3.3Å; I157-P179 HydrophobicContact CD1-CG 3.88Å; I157-P179 HydrophobicContact CG1-CG 4.15Å; I157-F320 HydrophobicContact CD1-CD2 4.22Å; I157-F320 HydrophobicContact CD1-CE1 4Å; I157-F320 HydrophobicContact CD1-CE2 3.33Å; I157-F320 HydrophobicContact CD1-CZ 3.2Å; I157-R353 HydrophobicContact CG2-CG 4.24Å
158Q94.9Very high89.7Confident68 Ų6827.8 Ų27.832%0.31815%0.147SC..EExtended strand (participates in β ladder)trans-75.8118.5177.3-69.6178.6-13.200109.8S124 F156 Y163 Q356S124-Q158 PolarHBondContact OG-NE2 3.4Å; F156-Q158 HydrophobicContact CD2-CG 4.29Å; F156-Q158 HydrophobicContact CE2-CG 3.92Å; Q158-Y163 HydrophobicContact CB-CD1 3.55Å; Q158-Y163 HydrophobicContact CB-CD2 3.69Å; Q158-Y163 HydrophobicContact CB-CE1 3.65Å; Q158-Y163 HydrophobicContact CB-CE2 3.76Å; Q158-Y163 HydrophobicContact CB-CG 3.56Å; Q158-Y163 HydrophobicContact CG-CD1 3.89Å; Q158-Y163 HydrophobicContact CG-CD2 4.46Å; Q158-Y163 HydrophobicContact CG-CE1 3.48Å; Q158-Y163 VanDerWaalsContact CG-CE1 3.48Å; Q158-Y163 HydrophobicContact CG-CE2 4.09Å; Q158-Y163 HydrophobicContact CG-CG 4.36Å; Q158-Y163 VanDerWaalsContact OE1-CD1 3.3Å; Q158-Q356 PolarHBondContact O-NE2 3.33Å
159V93.1Very high90.9Very high6 Ų629.9 Ų29.94%0.03615%0.152CC..EExtended strand (participates in β ladder)trans-132.9157.3-175.1-640000111.8I157 Y163 D175 L177 A352I157-V159 HydrophobicContact CG2-CG1 3.96Å; I157-V159 PolarHBondContact O-N 3.3Å; V159-Y163 WeakPolarHBondContact O-CD2 3.19Å; V159-D175 HydrophobicContact CG2-CB 3.87Å; V159-D175 PolarHBondContact N-O 3.04Å; V159-D175 VanDerWaalsContact N-O 3.08Å; V159-D175 WeakPolarHBondContact O-CB 3.37Å; V159-L177 HydrophobicContact CG1-CD1 3.82Å; V159-L177 HydrophobicContact CG1-CG 3.84Å; V159-L177 HydrophobicContact CG2-CD2 4.17Å; V159-L177 HydrophobicContact CG2-CG 3.86Å; V159-A352 HydrophobicContact CB-CB 3.96Å; V159-A352 HydrophobicContact CG1-CB 3.51Å
160G90.2Very high91.4Very high16 Ų1634.8 Ų34.817%0.16516%0.16CC..SBendtrans87.4-176.2174.600000114.4A162 Y163 E164G160-A162 VanDerWaalsContact C-N 3.29Å; G160-A162 PolarHBondContact O-N 2.84Å; G160-A162 VanDerWaalsContact O-N 3.08Å; G160-Y163 PolarHBondContact O-N 3.07Å; G160-E164 WeakPolarHBondContact CA-OE1 3.48Å; G160-E164 PolarHBondContact N-OE1 2.9Å; G160-E164 PolarHBondContact O-N 3.41Å
161S91.5Very high91.4Very high23 Ų2334.6 Ų34.616%0.16116%0.159CC..THydrogen-bonded Turntrans-62.4-27.8-157.766.80000116.7Q165 H166 K167 K380S161-Q165 PolarHBondContact O-N 2.97Å; S161-H166 VanDerWaalsContact CA-CE1 3.41Å; S161-H166 WeakPolarHBondContact CA-CE1 3.44Å; S161-H166 WeakPolarHBondContact CB-NE2 3.4Å; S161-H166 PolarHBondContact O-N 3.47Å; S161-K167 PolarHBondContact O-N 3.41Å; S161-K167 WeakPolarHBondContact OG-CD 3.43Å; S161-K380 VanDerWaalsContact CB-NZ 3.26Å; S161-K380 PolarHBondContact OG-NZ 2.73Å
162A92.6Very high91.3Very high2 Ų238.3 Ų38.32%0.01718%0.178CC..THydrogen-bonded Turntrans-64.3-42.7175.600000111.3L116 K120 G160 F174L116-A162 HydrophobicContact CD1-CB 4.2Å; K120-A162 WeakPolarHBondContact CE-O 3.41Å; K120-A162 PolarHBondContact NZ-O 3.29Å; G160-A162 VanDerWaalsContact C-N 3.29Å; G160-A162 PolarHBondContact O-N 2.84Å; G160-A162 VanDerWaalsContact O-N 3.08Å; A162-F174 HydrophobicContact CB-CD1 3.56Å; A162-F174 HydrophobicContact CB-CE1 3.6Å; A162-F174 HydrophobicContact CB-CG 4.48Å
163Y92.8Very high91.2Very high24 Ų2440.7 Ų40.79%0.09420%0.195CC..THydrogen-bonded Turntrans-83.3-33-176.8-58.7-74.6000112.2K120 V123 Q158 V159 G160 Q165 F174K120-Y163 HydrophobicContact CB-CE1 4.21Å; K120-Y163 HydrophobicContact CD-CD1 4Å; K120-Y163 HydrophobicContact CD-CE1 4.18Å; K120-Y163 HydrophobicContact CG-CD1 4.04Å; K120-Y163 HydrophobicContact CG-CE1 3.73Å; V123-Y163 WeakPolarHBondContact CG1-OH 3.23Å; Q158-Y163 HydrophobicContact CB-CD1 3.55Å; Q158-Y163 HydrophobicContact CB-CD2 3.69Å; Q158-Y163 HydrophobicContact CB-CE1 3.65Å; Q158-Y163 HydrophobicContact CB-CE2 3.76Å; Q158-Y163 HydrophobicContact CB-CG 3.56Å; Q158-Y163 HydrophobicContact CG-CD1 3.89Å; Q158-Y163 HydrophobicContact CG-CD2 4.46Å; Q158-Y163 HydrophobicContact CG-CE1 3.48Å; Q158-Y163 VanDerWaalsContact CG-CE1 3.48Å; Q158-Y163 HydrophobicContact CG-CE2 4.09Å; Q158-Y163 HydrophobicContact CG-CG 4.36Å; Q158-Y163 VanDerWaalsContact OE1-CD1 3.3Å; V159-Y163 WeakPolarHBondContact O-CD2 3.19Å; G160-Y163 PolarHBondContact O-N 3.07Å; Y163-Q165 PolarHBondContact O-N 3.32Å; Y163-F174 HydrophobicContact CE2-CB 4.35Å; Y163-F174 AromaticContact CE2-CD1 3.94Å; Y163-F174 HydrophobicContact CE2-CD1 3.94Å; Y163-F174 AromaticContact CZ-CD1 3.81Å
164E91.3Very high91.5Very high16 Ų1637.4 Ų37.48%0.07518%0.183CC..THydrogen-bonded Turntrans-83.221.3175.9-66.9164.6-140.900113.7G160 H166 Q356 L359 K408G160-E164 WeakPolarHBondContact CA-OE1 3.48Å; G160-E164 PolarHBondContact N-OE1 2.9Å; G160-E164 PolarHBondContact O-N 3.41Å; E164-H166 VanDerWaalsContact CB-CE1 3.41Å; E164-H166 WeakPolarHBondContact CB-CE1 3.14Å; E164-H166 VanDerWaalsContact CB-ND1 3.32Å; E164-H166 WeakPolarHBondContact CB-ND1 3.48Å; E164-H166 PolarHBondContact O-N 3.28Å; E164-H166 PolarHBondContact O-ND1 3.17Å; E164-H166 IonicContact OE2-CE1 2.88Å; E164-H166 PolarHBondContact OE2-CE1 3.04Å; E164-H166 VanDerWaalsContact OE2-CE1 3.27Å; E164-Q356 HydrophobicContact CG-CG 3.98Å; E164-L359 HydrophobicContact CB-CD1 4.02Å; E164-L359 HydrophobicContact CG-CD1 3.97Å; E164-K408 IonicContact OE1-NZ 3.49Å; E164-K408 VanDerWaalsContact OE2-CD 3.29Å; E164-K408 WeakPolarHBondContact OE2-CD 2.74Å; E164-K408 IonicContact OE2-NZ 3.46Å; E164-K408 PolarHBondContact OE2-NZ 3.31Å
165Q89.9Confident91.8Very high102 Ų10238.7 Ų38.748%0.47719%0.188SC..THydrogen-bonded Turntrans59.45.5172.2-53.4-17414.200118S161 Y163 L373 Q377S161-Q165 PolarHBondContact O-N 2.97Å; Y163-Q165 PolarHBondContact O-N 3.32Å; Q165-L373 HydrophobicContact CB-CD1 4.41Å; Q165-Q377 PolarHBondContact O-NE2 3.22Å
166H92.4Very high91.9Very high4 Ų436 Ų362%0.01917%0.174CC..  trans-11223.5-177.567.9-82.7000113S161 E164 L376 Q377 K380S161-H166 VanDerWaalsContact CA-CE1 3.41Å; S161-H166 WeakPolarHBondContact CA-CE1 3.44Å; S161-H166 WeakPolarHBondContact CB-NE2 3.4Å; S161-H166 PolarHBondContact O-N 3.47Å; E164-H166 VanDerWaalsContact CB-CE1 3.41Å; E164-H166 WeakPolarHBondContact CB-CE1 3.14Å; E164-H166 VanDerWaalsContact CB-ND1 3.32Å; E164-H166 WeakPolarHBondContact CB-ND1 3.48Å; E164-H166 PolarHBondContact O-N 3.28Å; E164-H166 PolarHBondContact O-ND1 3.17Å; E164-H166 IonicContact OE2-CE1 2.88Å; E164-H166 PolarHBondContact OE2-CE1 3.04Å; E164-H166 VanDerWaalsContact OE2-CE1 3.27Å; H166-L376 HydrophobicContact CB-CD2 3.65Å; H166-L376 HydrophobicContact CB-CG 4.15Å; H166-Q377 HydrophobicContact CB-CG 4.27Å; H166-K380 PolarHBondContact CD2-NZ 3.33Å; H166-K380 VanDerWaalsContact CD2-NZ 3.35Å; H166-K380 WeakPolarHBondContact O-CE 3.33Å; H166-K380 PolarHBondContact O-NZ 2.84Å
167K93.6Very high92Very high19 Ų1933.7 Ų33.78%0.08316%0.164CC..  trans-68.8146167.6-174.471.5-180-178.10109.6L111 S161 R170 D172 S173 Q377L111-K167 HydrophobicContact CD2-CB 4.38Å; L111-K167 HydrophobicContact CD2-CG 4.07Å; S161-K167 PolarHBondContact O-N 3.41Å; S161-K167 WeakPolarHBondContact OG-CD 3.43Å; K167-R170 WeakPolarHBondContact CE-O 3.29Å; K167-D172 VanDerWaalsContact CE-OD1 3.25Å; K167-D172 WeakPolarHBondContact CE-OD1 3.47Å; K167-D172 IonicContact NZ-OD1 3.29Å; K167-D172 PolarHBondContact NZ-OD1 2.86Å; K167-S173 PolarHBondContact NZ-OG 2.97Å; K167-Q377 PolarHBondContact O-NE2 2.94Å
168I92.3Very high92.1Very high13 Ų1333.2 Ų33.27%0.06716%0.161CC..  trans-123.3157.7-178.263.6166.8000110.9V109 R170 Q377 K380 A381V109-I168 HydrophobicContact CG1-CB 4.01Å; V109-I168 HydrophobicContact CG1-CG2 3.64Å; V109-I168 WeakPolarHBondContact O-CA 3.44Å; I168-R170 VanDerWaalsContact C-N 3.31Å; I168-R170 PolarHBondContact O-N 3.23Å; I168-Q377 HydrophobicContact CG2-CB 3.64Å; I168-Q377 HydrophobicContact CG2-CG 3.78Å; I168-K380 HydrophobicContact CD1-CB 3.79Å; I168-K380 HydrophobicContact CG2-CB 4.39Å; I168-A381 HydrophobicContact CD1-CB 4.29Å
169R86.6Confident92.1Very high85 Ų8530 Ų3032%0.32115%0.146SC..SBendtrans62.8-72.7175.4-67.1173.6-179.5151.812115.3E108 V109 D384E108-R169 WeakPolarHBondContact O-CG 3.26Å; V109-R169 PolarHBondContact O-N 3.41Å; R169-D384 IonicContact CZ-OD2 3.57Å; R169-D384 VanDerWaalsContact CZ-OD2 3.29Å; R169-D384 IonicContact NH1-OD2 2.77Å; R169-D384 PolarHBondContact NH1-OD2 3.42Å; R169-D384 IonicContact NH2-OD2 2.64Å
170R85.8Confident92.1Very high150 Ų15030 Ų3057%0.56615%0.146SC*.  trans-139.5146-171.3-66.4-175.5178.1170.2-2.2111K167 I168 D172K167-R170 WeakPolarHBondContact CE-O 3.29Å; I168-R170 VanDerWaalsContact C-N 3.31Å; I168-R170 PolarHBondContact O-N 3.23Å; R170-D172 HydrophobicContact CB-CB 4.44Å; R170-D172 PolarHBondContact O-N 3.29Å
171P86.1Confident92.2Very high2 Ų233.9 Ų33.91%0.01316%0.156CC..  trans-83.859.8173.632.4-23.4000109.9L111 V115 L116 F174 L303L111-P171 HydrophobicContact CD1-CG 4.2Å; L111-P171 HydrophobicContact CD2-CB 4.08Å; L111-P171 HydrophobicContact CD2-CG 4.45Å; V115-P171 HydrophobicContact CG1-CG 3.83Å; L116-P171 HydrophobicContact CD1-CB 4.11Å; P171-F174 HydrophobicContact CB-CE2 4.45Å; P171-F174 HydrophobicContact CB-CZ 3.97Å; P171-F174 WeakPolarHBondContact O-CE2 3.45Å; P171-L303 HydrophobicContact CG-CD1 3.82Å
172D88.2Confident92Very high84 Ų8434.7 Ų34.745%0.44916%0.158SC..  trans-91.7-21.4-175.260.9-14.4000113.5K167 R170 A306K167-D172 VanDerWaalsContact CE-OD1 3.25Å; K167-D172 WeakPolarHBondContact CE-OD1 3.47Å; K167-D172 IonicContact NZ-OD1 3.29Å; K167-D172 PolarHBondContact NZ-OD1 2.86Å; R170-D172 HydrophobicContact CB-CB 4.44Å; R170-D172 PolarHBondContact O-N 3.29Å; D172-A306 PolarHBondContact O-N 2.56Å
173S91.8Very high91.7Very high50 Ų5035 Ų3535%0.3516%0.159SC..EExtended strand (participates in β ladder)trans-135139-17975.50000113.6K167 A306K167-S173 PolarHBondContact NZ-OG 2.97Å; S173-A306 CarbonylContact C-O 3.59Å; S173-A306 VanDerWaalsContact CA-O 3.26Å; S173-A306 WeakPolarHBondContact CA-O 3.29Å
174F95.6Very high91.1Very high2 Ų239.9 Ų39.91%0.00919%0.194CC..EExtended strand (participates in β ladder)trans-135.1144.6-179.6-63-92.9000109.8L116 K120 V123 A162 Y163 P171 M305 A306 V307 R308L116-F174 HydrophobicContact CD1-CE1 4.38Å; K120-F174 HydrophobicContact CG-CE1 4.03Å; V123-F174 HydrophobicContact CG1-CB 4.41Å; V123-F174 HydrophobicContact CG1-CG 4.46Å; V123-F174 HydrophobicContact CG2-CD1 4.35Å; V123-F174 HydrophobicContact CG2-CD2 3.76Å; V123-F174 HydrophobicContact CG2-CE2 3.96Å; V123-F174 HydrophobicContact CG2-CG 3.98Å; V123-F174 HydrophobicContact CG2-CZ 4.34Å; A162-F174 HydrophobicContact CB-CD1 3.56Å; A162-F174 HydrophobicContact CB-CE1 3.6Å; A162-F174 HydrophobicContact CB-CG 4.48Å; Y163-F174 HydrophobicContact CE2-CB 4.35Å; Y163-F174 AromaticContact CE2-CD1 3.94Å; Y163-F174 HydrophobicContact CE2-CD1 3.94Å; Y163-F174 AromaticContact CZ-CD1 3.81Å; P171-F174 HydrophobicContact CB-CE2 4.45Å; P171-F174 HydrophobicContact CB-CZ 3.97Å; P171-F174 WeakPolarHBondContact O-CE2 3.45Å; F174-M305 HydrophobicContact CD2-CB 4.29Å; F174-M305 HydrophobicContact CE2-CB 4.1Å; F174-M305 HydrophobicContact CE2-CG 3.86Å; F174-M305 HydrophobicContact CE2-SD 3.98Å; F174-A306 PolarHBondContact N-O 2.98Å; F174-V307 HydrophobicContact CB-CG1 4.21Å; F174-V307 HydrophobicContact CB-CG2 4.25Å; F174-V307 CarbonylContact O-C 3.56Å; F174-V307 VanDerWaalsContact O-CA 3.32Å; F174-V307 WeakPolarHBondContact O-CA 3.31Å; F174-R308 PolarHBondContact O-N 3Å
175D94.9Very high90.5Very high31 Ų3143.4 Ų43.417%0.16621%0.211CC..EExtended strand (participates in β ladder)trans-115.6135.2173.8-62.3-25.6000109V159 R308 I310V159-D175 HydrophobicContact CG2-CB 3.87Å; V159-D175 PolarHBondContact N-O 3.04Å; V159-D175 VanDerWaalsContact N-O 3.08Å; V159-D175 WeakPolarHBondContact O-CB 3.37Å; D175-R308 WeakPolarHBondContact OD1-CB 3.19Å; D175-R308 IonicContact OD1-CZ 3.22Å; D175-R308 IonicContact OD1-NE 3.04Å; D175-R308 IonicContact OD1-NH1 3.35Å; D175-R308 PolarHBondContact OD1-NH1 3.33Å; D175-R308 IonicContact OD1-NH2 3.87Å; D175-R308 PolarHBondContact OD1-NH2 3.03Å; D175-R308 IonicContact OD2-CZ 2.84Å; D175-R308 IonicContact OD2-NH1 3.77Å; D175-R308 PolarHBondContact OD2-NH1 2.95Å; D175-R308 IonicContact OD2-NH2 3.27Å; D175-R308 PolarHBondContact OD2-NH2 3.01Å; D175-I310 HydrophobicContact CB-CD1 4.38Å
176V96.7Very high90.2Very high0 Ų039.1 Ų39.10%019%0.191CC..EExtended strand (participates in β ladder)trans-136.4126.3-179.9176.80000109.3V123 V127 F156 I157 V307 R308 L309 I310V123-V176 HydrophobicContact CG1-CG2 4.48Å; V127-V176 HydrophobicContact CG1-CG1 4.04Å; F156-V176 HydrophobicContact CB-CG1 3.6Å; F156-V176 HydrophobicContact CD2-CG1 3.58Å; F156-V176 HydrophobicContact CG-CG1 3.92Å; I157-V176 WeakPolarHBondContact O-CA 3.43Å; V176-V307 HydrophobicContact CB-CG1 4.35Å; V176-V307 HydrophobicContact CG2-CG1 3.79Å; V176-R308 PolarHBondContact N-O 3.15Å; V176-L309 HydrophobicContact CB-CD2 4.35Å; V176-I310 PolarHBondContact O-N 3.2Å
177L96.4Very high89.9Confident1 Ų141 Ų411%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-80.6135.9167.5-54177.9000109F156 I157 V159 P179 I310 A312 F320 V322F156-L177 CarbonylContact C-O 3.57Å; F156-L177 WeakPolarHBondContact CA-O 3.47Å; F156-L177 WeakPolarHBondContact CB-O 3.27Å; I157-L177 HydrophobicContact CB-CB 4.14Å; I157-L177 HydrophobicContact CB-CD1 4.47Å; I157-L177 HydrophobicContact CD1-CD1 4.49Å; I157-L177 PolarHBondContact N-O 3.44Å; I157-L177 PolarHBondContact O-N 3.3Å; V159-L177 HydrophobicContact CG1-CD1 3.82Å; V159-L177 HydrophobicContact CG1-CG 3.84Å; V159-L177 HydrophobicContact CG2-CD2 4.17Å; V159-L177 HydrophobicContact CG2-CG 3.86Å; L177-P179 WeakPolarHBondContact O-CD 3.41Å; L177-I310 CarbonylContact C-O 3.54Å; L177-I310 WeakPolarHBondContact CA-O 3.11Å; L177-I310 HydrophobicContact CD2-CB 3.84Å; L177-I310 HydrophobicContact CD2-CD1 4.11Å; L177-I310 HydrophobicContact CD2-CG2 3.87Å; L177-A312 HydrophobicContact CB-CB 4.04Å; L177-F320 HydrophobicContact CD1-CD2 4.05Å; L177-F320 HydrophobicContact CD1-CG 4.42Å; L177-V322 HydrophobicContact CD2-CG1 4.14Å
178V96.7Very high89.7Confident0 Ų041.5 Ų41.50%021%0.211CC..EExtended strand (participates in β ladder)trans-112.996.3172.6-1770000107.8V131 F152 L180 F255 L309 I310 A312V131-V178 HydrophobicContact CG1-CG1 4.35Å; V131-V178 HydrophobicContact CG2-CG1 4.13Å; V131-V178 HydrophobicContact CG2-CG2 4.22Å; F152-V178 HydrophobicContact CD1-CG1 4.2Å; F152-V178 HydrophobicContact CD2-CG1 4.41Å; F152-V178 HydrophobicContact CE1-CG1 4.39Å; F152-V178 HydrophobicContact CG-CG1 4.23Å; V178-L180 PolarHBondContact O-N 3.49Å; V178-F255 HydrophobicContact CB-CE2 3.84Å; V178-F255 HydrophobicContact CB-CZ 3.84Å; V178-F255 HydrophobicContact CG1-CE2 3.83Å; V178-F255 HydrophobicContact CG1-CZ 4.24Å; V178-F255 HydrophobicContact CG2-CE2 4.4Å; V178-F255 HydrophobicContact CG2-CZ 3.96Å; V178-L309 HydrophobicContact CG2-CD2 4.26Å; V178-I310 PolarHBondContact N-O 3.16Å; V178-A312 PolarHBondContact O-N 3.28Å
179P95.7Very high89.7Confident0 Ų045.6 Ų45.60%023%0.23CC..EExtended strand (participates in β ladder)trans-59.3132.5178.1-26.236.1000112.4R153 D155 I157 L177 A312 F320R153-P179 HydrophobicContact CB-CB 4.02Å; R153-P179 VanDerWaalsContact CB-O 3.29Å; R153-P179 WeakPolarHBondContact CB-O 3.45Å; R153-P179 PolarHBondContact N-O 2.88Å; D155-P179 WeakPolarHBondContact O-CD 3.46Å; I157-P179 HydrophobicContact CD1-CG 3.88Å; I157-P179 HydrophobicContact CG1-CG 4.15Å; L177-P179 WeakPolarHBondContact O-CD 3.41Å; P179-A312 CarbonylContact C-O 3.51Å; P179-A312 WeakPolarHBondContact CA-O 3.39Å; P179-F320 HydrophobicContact CB-CE1 4.24Å; P179-F320 HydrophobicContact CG-CE1 4.14Å
180L94.1Very high89.9Confident6 Ų642.9 Ų42.93%0.03122%0.223CC..EExtended strand (participates in β ladder)trans-95.8143.3175.7-54.7-175.8000110L150 A151 F152 V178 V251 W254 F255 P311 A312 V313L150-L180 HydrophobicContact CD1-CD1 4.42Å; A151-L180 CarbonylContact O-C 3.56Å; A151-L180 WeakPolarHBondContact O-CA 3.43Å; F152-L180 HydrophobicContact CD1-CD2 3.84Å; F152-L180 HydrophobicContact CE1-CD2 4.16Å; V178-L180 PolarHBondContact O-N 3.49Å; L180-V251 HydrophobicContact CD1-CG1 3.55Å; L180-W254 HydrophobicContact CD1-CZ3 4.25Å; L180-W254 HydrophobicContact CD2-CH2 4.47Å; L180-W254 HydrophobicContact CD2-CZ3 3.95Å; L180-F255 HydrophobicContact CD2-CD2 4.11Å; L180-F255 HydrophobicContact CD2-CE2 4.34Å; L180-P311 HydrophobicContact CD1-CB 4.07Å; L180-A312 PolarHBondContact N-O 3.13Å; L180-V313 HydrophobicContact CD1-CG2 4.31Å
181R90.8Very high90Very high98 Ų9842.4 Ų42.437%0.3722%0.222SC..EExtended strand (participates in β ladder)trans-95.1121.6169.3-171.6-172.9-62.6101.45.4107.8A151 F152 R153A151-R181 PolarHBondContact N-O 2.89Å; A151-R181 PolarHBondContact O-N 3.46Å; F152-R181 PolarHBondContact O-NH1 2.73Å; R153-R181 PolarHBondContact O-NH2 3.16Å
182L88.4Confident90.1Very high40 Ų4043.5 Ų43.521%0.20923%0.229CC..PPolyproline II helixtrans-79.7151.2170.4-60.3174.8000109.8L150 L188 F232 V313L150-L182 HydrophobicContact CD2-CD2 3.55Å; L182-L188 HydrophobicContact CD1-CD1 3.53Å; L182-L188 HydrophobicContact CD1-CG 3.77Å; L182-L188 HydrophobicContact CD2-CD1 4.49Å; L182-F232 HydrophobicContact CD2-CZ 4.42Å; L182-V313 HydrophobicContact CD1-CG1 4.09Å; L182-V313 HydrophobicContact CD2-CG1 4.26Å; L182-V313 HydrophobicContact CG-CG1 4.41Å
183P85.9Confident89.9Confident7 Ų739.9 Ų39.95%0.04521%0.21CC..PPolyproline II helixtrans-56.6145169.7-22.733.1000111.2Q185 V186 F232P183-Q185 PolarHBondContact O-N 3.15Å; P183-Q185 VanDerWaalsContact O-N 3.11Å; P183-V186 HydrophobicContact CB-CB 4.42Å; P183-V186 HydrophobicContact CB-CG2 4.02Å; P183-V186 HydrophobicContact CG-CG2 4.13Å; P183-V186 PolarHBondContact O-N 2.77Å; P183-F232 HydrophobicContact CG-CD2 3.81Å; P183-F232 HydrophobicContact CG-CE2 4.05Å
184P80.7Confident89Confident127 Ų12738 Ų3883%0.82520%0.199SC*.THydrogen-bonded Turntrans-62.6-24.4-173.224.6-34.2000113.8V186P184-V186 VanDerWaalsContact C-N 3.34Å
185Q77.8Confident87.7Confident91 Ų9142.6 Ų42.643%0.42523%0.227SC..THydrogen-bonded Turntrans-83.6-11.3178.6-62.2172.4-4.700112.9P183 W225P183-Q185 PolarHBondContact O-N 3.15Å; P183-Q185 VanDerWaalsContact O-N 3.11Å; Q185-W225 PolarHBondContact O-NE1 3.1Å
186V84.1Confident86.5Confident11 Ų1146.2 Ų46.27%0.06724%0.243CC..  trans-98.8113.3-176.5174.90000109.6P183 P184 L188 L211 F232P183-V186 HydrophobicContact CB-CB 4.42Å; P183-V186 HydrophobicContact CB-CG2 4.02Å; P183-V186 HydrophobicContact CG-CG2 4.13Å; P183-V186 PolarHBondContact O-N 2.77Å; P184-V186 VanDerWaalsContact C-N 3.34Å; V186-L188 HydrophobicContact CG1-CD2 4.37Å; V186-L211 HydrophobicContact CG1-CD2 3.95Å; V186-F232 HydrophobicContact CG1-CD1 4.22Å; V186-F232 HydrophobicContact CG1-CE1 3.75Å; V186-F232 HydrophobicContact CG1-CZ 4.07Å; V186-F232 HydrophobicContact CG2-CD1 3.89Å; V186-F232 HydrophobicContact CG2-CD2 4.4Å; V186-F232 HydrophobicContact CG2-CE1 4.22Å; V186-F232 HydrophobicContact CG2-CG 4Å
187A86.5Confident84.9Confident45 Ų4551.6 Ų51.637%0.37228%0.278SS..EExtended strand (participates in β ladder)trans-106.6144.9168.500000110.2K212A187-K212 HydrophobicContact CB-CB 4Å; A187-K212 PolarHBondContact O-N 3.33Å
188L89.8Confident83.7Confident28 Ų2856.1 Ų56.115%0.14731%0.306CS..EExtended strand (participates in β ladder)trans-108.7141.6177.3-60.6179.5000110.6L182 V186 A210 L211 L246 V313L182-L188 HydrophobicContact CD1-CD1 3.53Å; L182-L188 HydrophobicContact CD1-CG 3.77Å; L182-L188 HydrophobicContact CD2-CD1 4.49Å; V186-L188 HydrophobicContact CG1-CD2 4.37Å; L188-A210 WeakPolarHBondContact CA-O 3.26Å; L188-L211 HydrophobicContact CD2-CD2 3.8Å; L188-L246 HydrophobicContact CD1-CD2 3.92Å; L188-L246 HydrophobicContact CD2-CB 4.4Å; L188-L246 HydrophobicContact CD2-CD2 4.39Å; L188-V313 HydrophobicContact CD1-CG1 3.52Å
189E90.6Very high82.6Confident99 Ų9956.4 Ų56.446%0.46331%0.307SS..EExtended strand (participates in β ladder)trans-114.595.7171.1-173.2173.5-179.700108.9A210 K212E189-A210 PolarHBondContact N-O 2.97Å; E189-A210 PolarHBondContact O-N 2.88Å; E189-K212 HydrophobicContact CB-CB 4.21Å
190P91.1Very high81.7Confident28 Ų2858.6 Ų58.618%0.18233%0.326CS..EExtended strand (participates in β ladder)trans-73.3136176.530-34.4000110.6V208 L315 A471P190-V208 CarbonylContact C-O 3.59Å; P190-V208 WeakPolarHBondContact CA-O 3.48Å; P190-L315 HydrophobicContact CB-CD1 4.03Å; P190-L315 HydrophobicContact CB-CD2 4.01Å; P190-L315 HydrophobicContact CG-CD1 4.12Å; P190-L315 HydrophobicContact CG-CD2 3.73Å; P190-A471 HydrophobicContact CB-CB 4.26Å; P190-A471 HydrophobicContact CG-CB 3.74Å; P190-A471 WeakPolarHBondContact O-CB 3.49Å
191R89.2Confident80.9Confident141 Ų14161.2 Ų61.253%0.53234%0.343SS..EExtended strand (participates in β ladder)trans-129.3127.5174.1-166.8-179.782.4137.63.2109.6F207 V208R191-F207 WeakPolarHBondContact O-CA 3.26Å; R191-V208 HydrophobicContact CB-CG2 4.1Å; R191-V208 PolarHBondContact N-O 2.93Å; R191-V208 PolarHBondContact O-N 3.38Å
192S87.7Confident80.3Confident24 Ų2457.7 Ų57.717%0.16833%0.334CS..EExtended strand (participates in β ladder)trans-68.1139.6170.2-178.60000109.7G194S192-G194 VanDerWaalsContact C-N 3.27Å; S192-G194 PolarHBondContact OG-N 3.44Å
193L82.8Confident79.9Confident8 Ų857.1 Ų57.14%0.04233%0.33CS..  trans-76.7-17.6172.3-66.6-179.7000112.7E196 L199 C206 V208 L341 L346L193-E196 WeakPolarHBondContact O-CG 3.47Å; L193-L199 HydrophobicContact CB-CD2 3.81Å; L193-L199 HydrophobicContact CD1-CD1 4.37Å; L193-L199 HydrophobicContact CD1-CD2 4.2Å; L193-C206 HydrophobicContact CD1-CB 4.23Å; L193-C206 PolarHBondContact N-O 2.84Å; L193-C206 VanDerWaalsContact N-O 3.13Å; L193-V208 HydrophobicContact CD1-CG1 4.37Å; L193-V208 HydrophobicContact CD2-CG1 3.89Å; L193-V208 HydrophobicContact CD2-CG2 4.04Å; L193-V208 HydrophobicContact CG-CG1 4.32Å; L193-L341 HydrophobicContact CD1-CD1 4.24Å; L193-L341 HydrophobicContact CD2-CD1 3.83Å; L193-L341 HydrophobicContact CD2-CD2 4.44Å; L193-L346 HydrophobicContact CD1-CD2 3.45Å; L193-L346 VanDerWaalsContact CD1-CD2 3.45Å
194G74.3Confident79.6Confident12 Ų1261.4 Ų61.412%0.12435%0.346CS..THydrogen-bonded Turntrans57.5-150.7172.600000114.5S192 E196 R204S192-G194 VanDerWaalsContact C-N 3.27Å; S192-G194 PolarHBondContact OG-N 3.44Å; G194-E196 PolarHBondContact O-N 2.93Å; G194-R204 WeakPolarHBondContact O-CB 3.33Å; G194-R204 WeakPolarHBondContact O-CG 3.42Å
195T67.9Low79.6Confident98 Ų9857.3 Ų57.360%0.60132%0.32SS*.THydrogen-bonded Turntrans-99.145.1-179.5540000111.7A476T195-A476 HydrophobicContact CG2-CB 4.15Å
196E70.4Confident80.1Confident107 Ų10753.2 Ų53.250%0.530%0.301SS..  trans-56.1125.7170-74.1-66.7160.100109L193 G194 T198 L199L193-E196 WeakPolarHBondContact O-CG 3.47Å; G194-E196 PolarHBondContact O-N 2.93Å; E196-T198 PolarHBondContact O-N 3.03Å; E196-L199 HydrophobicContact CB-CB 4.04Å; E196-L199 WeakPolarHBondContact O-CB 3.39Å; E196-L199 PolarHBondContact O-N 3.44Å
197P62.2Low80.4Confident113 Ų11352.7 Ų52.773%0.73430%0.298SS*.THydrogen-bonded Turntrans-65-26.1-169.823.4-32.8000112.6L199P197-L199 VanDerWaalsContact C-N 3.34Å
198T70.8Confident80.7Confident95 Ų9550.7 Ų50.758%0.58328%0.281SS*.THydrogen-bonded Turntrans-79.9-15.6177.555.60000113E196 P338E196-T198 PolarHBondContact O-N 3.03Å; T198-P338 WeakPolarHBondContact O-CG 3.43Å
199L74.4Confident80.8Confident7 Ų749.3 Ų49.34%0.03727%0.274CS..SBendtrans-86.4129.7-174.7-163.583.5000111.2L193 E196 P197 F203 R204 L341L193-L199 HydrophobicContact CB-CD2 3.81Å; L193-L199 HydrophobicContact CD1-CD1 4.37Å; L193-L199 HydrophobicContact CD1-CD2 4.2Å; E196-L199 HydrophobicContact CB-CB 4.04Å; E196-L199 WeakPolarHBondContact O-CB 3.39Å; E196-L199 PolarHBondContact O-N 3.44Å; P197-L199 VanDerWaalsContact C-N 3.34Å; L199-F203 HydrophobicContact CD1-CB 4.08Å; L199-F203 HydrophobicContact CD2-CB 3.72Å; L199-F203 HydrophobicContact CG-CB 3.83Å; L199-R204 HydrophobicContact CD2-CG 4.26Å; L199-L341 HydrophobicContact CD1-CD1 4.27Å
200A77.2Confident80.8Confident46 Ų4645.1 Ų45.138%0.3826%0.257SS..  trans-58.1142.7176.300000110.6A202 F203A200-A202 PolarHBondContact O-N 3.38Å; A200-F203 HydrophobicContact CB-CD2 3.75Å; A200-F203 HydrophobicContact CB-CE2 3.99Å; A200-F203 PolarHBondContact O-N 2.95Å
201P77Confident80.7Confident60 Ų6045.1 Ų45.139%0.3926%0.255SS..G310 helixtrans-52.3-31.5-178.8-29.235.6000114.4F203 R204 A482P201-F203 PolarHBondContact O-N 3.28Å; P201-R204 PolarHBondContact O-N 2.85Å; P201-A482 HydrophobicContact CB-CB 4.36Å; P201-A482 WeakPolarHBondContact CB-O 3.21Å
202A76.6Confident80.6Confident24 Ų2443.4 Ų43.420%0.19825%0.251CS..G310 helixtrans-60.2-25.2177.700000114.6A200 P483A200-A202 PolarHBondContact O-N 3.38Å; A202-P483 HydrophobicContact CB-CB 3.97Å
203F80.3Confident80.2Confident29 Ų2944.1 Ų44.113%0.12726%0.258CS..G310 helixtrans-103.8-3.6-176-55.1-65.6000113.6L199 A200 P201 S205 C206 L337 L346L199-F203 HydrophobicContact CD1-CB 4.08Å; L199-F203 HydrophobicContact CD2-CB 3.72Å; L199-F203 HydrophobicContact CG-CB 3.83Å; A200-F203 HydrophobicContact CB-CD2 3.75Å; A200-F203 HydrophobicContact CB-CE2 3.99Å; A200-F203 PolarHBondContact O-N 2.95Å; P201-F203 PolarHBondContact O-N 3.28Å; F203-S205 PolarHBondContact O-N 3.44Å; F203-S205 VanDerWaalsContact O-N 3.17Å; F203-C206 VanDerWaalsContact O-CB 3.24Å; F203-C206 WeakPolarHBondContact O-CB 3.35Å; F203-C206 PolarHBondContact O-N 3.36Å; F203-L337 HydrophobicContact CD2-CD2 3.75Å; F203-L337 HydrophobicContact CE2-CD2 3.4Å; F203-L337 VanDerWaalsContact CE2-CD2 3.4Å; F203-L337 HydrophobicContact CG-CD2 4.45Å; F203-L337 HydrophobicContact CZ-CD2 3.82Å; F203-L346 HydrophobicContact CD1-CD1 3.49Å; F203-L346 VanDerWaalsContact CD1-CD1 3.49Å; F203-L346 HydrophobicContact CE1-CD1 3.86Å; F203-L346 HydrophobicContact CG-CD1 4.3Å
204R79.7Confident79.8Confident96 Ų9646.6 Ų46.636%0.36228%0.275SS..THydrogen-bonded Turntrans-64.5-21.4-178.2-65.2-177.3-179.9178.9-2.5113.4G194 L199 P201G194-R204 WeakPolarHBondContact O-CB 3.33Å; G194-R204 WeakPolarHBondContact O-CG 3.42Å; L199-R204 HydrophobicContact CD2-CG 4.26Å; P201-R204 PolarHBondContact O-N 2.85Å
205S81.5Confident79.4Confident41 Ų4152 Ų5229%0.28731%0.308SS..THydrogen-bonded Turntrans-88.9-3.117462.30000113.8F203 F207F203-S205 PolarHBondContact O-N 3.44Å; F203-S205 VanDerWaalsContact O-N 3.17Å; S205-F207 WeakPolarHBondContact O-CD2 3.32Å
206C88.8Confident79.1Confident5 Ų549.2 Ų49.23%0.03429%0.293CS..  trans-88.1155.9-178.3-64.30000111.8L193 F203 L346 W347L193-C206 HydrophobicContact CD1-CB 4.23Å; L193-C206 PolarHBondContact N-O 2.84Å; L193-C206 VanDerWaalsContact N-O 3.13Å; F203-C206 VanDerWaalsContact O-CB 3.24Å; F203-C206 WeakPolarHBondContact O-CB 3.35Å; F203-C206 PolarHBondContact O-N 3.36Å; C206-L346 HydrophobicContact CB-CB 4.4Å; C206-L346 HydrophobicContact CB-CD2 4.21Å; C206-W347 CarbonylContact C-O 3.57Å; C206-W347 WeakPolarHBondContact CA-O 3.27Å
207F90.6Very high78.5Confident1 Ų150.3 Ų50.30%0.00431%0.309CS..EExtended strand (participates in β ladder)trans-122.8153.7-179.5-72.6-110.3000109.4R191 S205 L321 W347 V349 L472 A475R191-F207 WeakPolarHBondContact O-CA 3.26Å; S205-F207 WeakPolarHBondContact O-CD2 3.32Å; F207-L321 HydrophobicContact CB-CD2 4.27Å; F207-W347 PolarHBondContact N-O 3.46Å; F207-W347 PolarHBondContact O-N 3.49Å; F207-V349 HydrophobicContact CD1-CG2 4.33Å; F207-V349 HydrophobicContact CD2-CB 4.47Å; F207-V349 HydrophobicContact CD2-CG2 3.28Å; F207-V349 HydrophobicContact CE1-CG2 4.3Å; F207-V349 HydrophobicContact CE2-CB 4.27Å; F207-V349 HydrophobicContact CE2-CG2 3.27Å; F207-V349 HydrophobicContact CG-CG2 3.86Å; F207-V349 HydrophobicContact CZ-CG2 3.81Å; F207-L472 HydrophobicContact CE1-CD1 4.09Å; F207-L472 HydrophobicContact CZ-CD1 4.36Å; F207-L472 HydrophobicContact CZ-CG 4.44Å; F207-A475 HydrophobicContact CE1-CB 4.35Å; F207-A475 HydrophobicContact CZ-CB 3.91Å
208V91.3Very high78.2Confident2 Ų248.3 Ų48.31%0.01230%0.298CS..EExtended strand (participates in β ladder)trans-116.7146.1166.9-66.80000108.6P190 R191 L193 L341 L346P190-V208 CarbonylContact C-O 3.59Å; P190-V208 WeakPolarHBondContact CA-O 3.48Å; R191-V208 HydrophobicContact CB-CG2 4.1Å; R191-V208 PolarHBondContact N-O 2.93Å; R191-V208 PolarHBondContact O-N 3.38Å; L193-V208 HydrophobicContact CD1-CG1 4.37Å; L193-V208 HydrophobicContact CD2-CG1 3.89Å; L193-V208 HydrophobicContact CD2-CG2 4.04Å; L193-V208 HydrophobicContact CG-CG1 4.32Å; V208-L341 HydrophobicContact CG1-CD2 4.35Å; V208-L346 HydrophobicContact CG1-CD2 4.14Å
209C92.4Very high77.5Confident0 Ų047.1 Ų47.10%030%0.304CS..EExtended strand (participates in β ladder)trans-124.7101.6-175.4-66.10000110.2H245 L246 L321C209-H245 CarbonylContact O-C 3.57Å; C209-H245 VanDerWaalsContact O-CA 3.26Å; C209-H245 WeakPolarHBondContact O-CA 3.29Å; C209-L246 HydrophobicContact CB-CB 4.3Å; C209-L246 PolarHBondContact O-N 3.37Å; C209-L321 WeakPolarHBondContact SG-CD1 3.33Å
210A91.5Very high76.6Confident11 Ų1152.3 Ų52.39%0.09134%0.336CS..EExtended strand (participates in β ladder)trans-78.4151.5176.700000110.7L188 E189 K212L188-A210 WeakPolarHBondContact CA-O 3.26Å; E189-A210 PolarHBondContact N-O 2.97Å; E189-A210 PolarHBondContact O-N 2.88Å; A210-K212 PolarHBondContact O-N 3.37Å
211L89.3Confident75.8Confident28 Ų2853.4 Ų53.415%0.14734%0.338CS..EExtended strand (participates in β ladder)trans-72.7125.2167.4-61.2-175.4000109.6V186 L188 W225 F232 A233 R244V186-L211 HydrophobicContact CG1-CD2 3.95Å; L188-L211 HydrophobicContact CD2-CD2 3.8Å; L211-W225 HydrophobicContact CB-CH2 4.06Å; L211-F232 HydrophobicContact CD2-CD1 4.43Å; L211-F232 HydrophobicContact CD2-CE1 3.99Å; L211-A233 HydrophobicContact CD1-CB 3.91Å; L211-R244 HydrophobicContact CD1-CB 3.99Å; L211-R244 HydrophobicContact CG-CB 4.28Å; L211-R244 PolarHBondContact N-O 3.5Å
212K86.1Confident75.1Confident105 Ų10552.9 Ų52.946%0.45733%0.334SS..EExtended strand (participates in β ladder)trans-94.3115.5178.4-175.9174.2179.8175.50110.1A187 E189 A210 W225A187-K212 HydrophobicContact CB-CB 4Å; A187-K212 PolarHBondContact O-N 3.33Å; E189-K212 HydrophobicContact CB-CB 4.21Å; A210-K212 PolarHBondContact O-N 3.37Å; K212-W225 VanDerWaalsContact O-CZ2 3.31Å; K212-W225 WeakPolarHBondContact O-CZ2 3.4Å
213A78.4Confident74.7Confident38 Ų3853.6 Ų53.631%0.31434%0.343SS..PPolyproline II helixtrans-69.914316900000110.2W225A213-W225 HydrophobicContact CB-CD2 4.33Å; A213-W225 HydrophobicContact CB-CE3 3.81Å; A213-W225 HydrophobicContact CB-CH2 4.09Å; A213-W225 HydrophobicContact CB-CZ3 3.68Å
214P74.7Confident74.3Confident61 Ų6156.8 Ų56.840%0.39636%0.359SS..PPolyproline II helixtrans-61.7143.8174.624.5-31.9000110.6S216 W225P214-S216 PolarHBondContact O-N 2.87Å; P214-W225 HydrophobicContact CG-CB 4.48Å; P214-W225 HydrophobicContact CG-CG 4.08Å
215P67.4Low74Confident124 Ų12453.4 Ų53.481%0.80535%0.346SS*.PPolyproline II helixtrans-61.4123.5175.325.2-31.5000109.1
216S59.9Low73.7Confident41 Ų4156.9 Ų56.929%0.28736%0.357SS..PPolyproline II helixtrans-100.6118.6-174.7-176.80000109.8P214 S218 T221P214-S216 PolarHBondContact O-N 2.87Å; S216-S218 VanDerWaalsContact C-N 3.27Å; S216-S218 VanDerWaalsContact OG-C 3.29Å; S216-S218 PolarHBondContact OG-O 2.75Å; S216-T221 WeakPolarHBondContact CB-OG1 3.45Å; S216-T221 PolarHBondContact OG-OG1 2.93Å
217P58.2Low73.1Confident130 Ų13065.5 Ų65.584%0.84439%0.389SS*.SBendtrans-76.7-13.8173.428.8-31.9000112.9
218S56.8Low72.4Confident71 Ų7168 Ų6850%0.49740%0.403SS..SBendtrans-151.7119.6176.451.80000108.7S216 T220 T221S216-S218 VanDerWaalsContact C-N 3.27Å; S216-S218 VanDerWaalsContact OG-C 3.29Å; S216-S218 PolarHBondContact OG-O 2.75Å; S218-T220 PolarHBondContact O-N 3.33Å; S218-T221 PolarHBondContact O-N 3.35Å
219G55.9Low71.8Confident69 Ų6968.1 Ų68.171%0.71140%0.404SS*.THydrogen-bonded Turntrans-59.711.4-162.800000118.9T222G219-T222 PolarHBondContact O-OG1 3.41Å
220T55Low71.3Confident116 Ų11673.7 Ų73.771%0.71243%0.428SS*.THydrogen-bonded Turntrans-83.1-23.6173.747.20000113.9S218S218-T220 PolarHBondContact O-N 3.33Å
221T60.5Low71Confident69 Ų6976.6 Ų76.642%0.42345%0.446SS..Hα-helixtrans-79.5-20.9-176.448.40000114.7S216 S218 W225S216-T221 WeakPolarHBondContact CB-OG1 3.45Å; S216-T221 PolarHBondContact OG-OG1 2.93Å; S218-T221 PolarHBondContact O-N 3.35Å; T221-W225 PolarHBondContact O-N 3.23Å
222T62Low70.9Confident49 Ų4975.3 Ų75.330%0.30144%0.439SS..Hα-helixtrans-69.1-42178.650.50000112.2G219 Q224 W225 H226G219-T222 PolarHBondContact O-OG1 3.41Å; T222-Q224 VanDerWaalsContact C-N 3.34Å; T222-Q224 PolarHBondContact O-N 3.4Å; T222-W225 PolarHBondContact O-N 3.12Å; T222-H226 PolarHBondContact O-CD2 3.45Å; T222-H226 PolarHBondContact O-N 3.46Å
223G68Low70.9Confident39 Ų3970.8 Ų70.840%0.40242%0.421SS..Hα-helixtrans-63.2-37.717900000113.3R227G223-R227 WeakPolarHBondContact O-CG 3.33Å; G223-R227 PolarHBondContact O-N 3.17Å
224Q72.4Confident71.3Confident97 Ų9774.6 Ų74.645%0.45343%0.432SS..Hα-helixtrans-70.5-44.6176.3-174.159.232.200111.6T222 H226 R227 D228T222-Q224 VanDerWaalsContact C-N 3.34Å; T222-Q224 PolarHBondContact O-N 3.4Å; Q224-H226 VanDerWaalsContact C-N 3.29Å; Q224-H226 PolarHBondContact O-N 3.1Å; Q224-R227 WeakPolarHBondContact O-CB 3.48Å; Q224-R227 PolarHBondContact O-N 2.91Å; Q224-D228 PolarHBondContact NE2-OD1 3.12Å; Q224-D228 PolarHBondContact NE2-OD2 2.81Å; Q224-D228 VanDerWaalsContact O-CG 3.32Å; Q224-D228 PolarHBondContact O-N 2.78Å
225W73.8Confident71.9Confident25 Ų2573.5 Ų73.510%0.09543%0.432CS..Hα-helixtrans-58.9-40.5175.6178.484.4000112.5Q185 L211 K212 A213 P214 T221 T222 R227 D228 C229Q185-W225 PolarHBondContact O-NE1 3.1Å; L211-W225 HydrophobicContact CB-CH2 4.06Å; K212-W225 VanDerWaalsContact O-CZ2 3.31Å; K212-W225 WeakPolarHBondContact O-CZ2 3.4Å; A213-W225 HydrophobicContact CB-CD2 4.33Å; A213-W225 HydrophobicContact CB-CE3 3.81Å; A213-W225 HydrophobicContact CB-CH2 4.09Å; A213-W225 HydrophobicContact CB-CZ3 3.68Å; P214-W225 HydrophobicContact CG-CB 4.48Å; P214-W225 HydrophobicContact CG-CG 4.08Å; T221-W225 PolarHBondContact O-N 3.23Å; T222-W225 PolarHBondContact O-N 3.12Å; W225-R227 VanDerWaalsContact C-N 3.31Å; W225-R227 PolarHBondContact O-N 2.96Å; W225-D228 PolarHBondContact O-N 2.89Å; W225-C229 HydrophobicContact CZ2-CB 4.43Å; W225-C229 PolarHBondContact NE1-SG 3.45Å; W225-C229 VanDerWaalsContact NE1-SG 3.36Å; W225-C229 WeakPolarHBondContact O-CB 3.44Å; W225-C229 PolarHBondContact O-N 2.88Å; W225-C229 PolarHBondContact O-SG 2.99Å
226H73.9Confident73Confident113 Ų11368.4 Ų68.452%0.52340%0.398SS..Hα-helixtrans-63.3-35.7175.4-83.2-68.1000112.8T222 Q224 K230T222-H226 PolarHBondContact O-CD2 3.45Å; T222-H226 PolarHBondContact O-N 3.46Å; Q224-H226 VanDerWaalsContact C-N 3.29Å; Q224-H226 PolarHBondContact O-N 3.1Å; H226-K230 WeakPolarHBondContact O-CB 3.42Å; H226-K230 PolarHBondContact O-N 3.03Å; H226-K230 VanDerWaalsContact O-N 3.14Å
227R76.1Confident74.6Confident186 Ų18666.8 Ų66.870%0.70239%0.386SS*.Hα-helixtrans-68.4-45173.8-72.1179.7-177.6-171.11.1111.4G223 Q224 W225 K230G223-R227 WeakPolarHBondContact O-CG 3.33Å; G223-R227 PolarHBondContact O-N 3.17Å; Q224-R227 WeakPolarHBondContact O-CB 3.48Å; Q224-R227 PolarHBondContact O-N 2.91Å; W225-R227 VanDerWaalsContact C-N 3.31Å; W225-R227 PolarHBondContact O-N 2.96Å; R227-K230 VanDerWaalsContact O-CB 3.28Å; R227-K230 WeakPolarHBondContact O-CB 3.33Å; R227-K230 PolarHBondContact O-N 3.16Å
228D76.2Confident76.1Confident55 Ų5561.2 Ų61.229%0.29435%0.35SS..Hα-helixtrans-68.5-36.5-178.1-62.1-23.9000111.6L148 Q224 W225 K230 P231L148-D228 WeakPolarHBondContact CD1-O 3.42Å; L148-D228 WeakPolarHBondContact CD2-O 3.35Å; Q224-D228 PolarHBondContact NE2-OD1 3.12Å; Q224-D228 PolarHBondContact NE2-OD2 2.81Å; Q224-D228 VanDerWaalsContact O-CG 3.32Å; Q224-D228 PolarHBondContact O-N 2.78Å; W225-D228 PolarHBondContact O-N 2.89Å; D228-K230 VanDerWaalsContact C-N 3.34Å; D228-P231 WeakPolarHBondContact O-CD 3.32Å
229C78.9Confident77.6Confident4 Ų461.1 Ų61.13%0.02734%0.344CS..Hα-helixtrans-83.5-7.2176.9-68.60000113.9W225 F232 A233W225-C229 HydrophobicContact CZ2-CB 4.43Å; W225-C229 PolarHBondContact NE1-SG 3.45Å; W225-C229 VanDerWaalsContact NE1-SG 3.36Å; W225-C229 WeakPolarHBondContact O-CB 3.44Å; W225-C229 PolarHBondContact O-N 2.88Å; W225-C229 PolarHBondContact O-SG 2.99Å; C229-F232 WeakPolarHBondContact O-CB 3.41Å; C229-F232 PolarHBondContact O-N 3.25Å; C229-A233 WeakPolarHBondContact O-CB 3.42Å; C229-A233 PolarHBondContact O-N 2.96Å
230K82.6Confident78.9Confident116 Ų11658 Ų5850%0.50431%0.311SS..Hα-helixtrans-55.6-47.8-176.3-176.8177.3173.3-178.30113.2H226 R227 D228 F232 A233 E234H226-K230 WeakPolarHBondContact O-CB 3.42Å; H226-K230 PolarHBondContact O-N 3.03Å; H226-K230 VanDerWaalsContact O-N 3.14Å; R227-K230 VanDerWaalsContact O-CB 3.28Å; R227-K230 WeakPolarHBondContact O-CB 3.33Å; R227-K230 PolarHBondContact O-N 3.16Å; D228-K230 VanDerWaalsContact C-N 3.34Å; K230-F232 VanDerWaalsContact C-N 3.29Å; K230-F232 PolarHBondContact O-N 2.99Å; K230-A233 PolarHBondContact O-N 3.5Å; K230-E234 WeakPolarHBondContact CE-OE1 3.45Å; K230-E234 HydrophobicContact CG-CG 4.28Å; K230-E234 IonicContact NZ-OE1 3.71Å; K230-E234 WeakPolarHBondContact O-CB 3.21Å; K230-E234 WeakPolarHBondContact O-CG 3.41Å; K230-E234 PolarHBondContact O-N 2.87Å
231P84.8Confident80Confident72 Ų7259.1 Ų59.147%0.46831%0.308SS..Hα-helixtrans-62.3-37179.9-21.734.2000112.7L148 D228 G235L148-P231 HydrophobicContact CD1-CG 4.16Å; D228-P231 WeakPolarHBondContact O-CD 3.32Å; P231-G235 PolarHBondContact O-N 2.81Å; P231-G235 VanDerWaalsContact O-N 3.1Å
232F87.1Confident80.9Confident1 Ų159.4 Ų59.40%0.00432%0.324CS..Hα-helixtrans-66.7-46.9175.4179.7-89.9000111.1L148 L150 L182 P183 V186 L211 C229 K230 E234 G235 F236 L246L148-F232 WeakPolarHBondContact O-CD2 3.42Å; L150-F232 HydrophobicContact CD2-CE2 3.79Å; L150-F232 HydrophobicContact CD2-CZ 4.21Å; L150-F232 HydrophobicContact CG-CE2 4Å; L182-F232 HydrophobicContact CD2-CZ 4.42Å; P183-F232 HydrophobicContact CG-CD2 3.81Å; P183-F232 HydrophobicContact CG-CE2 4.05Å; V186-F232 HydrophobicContact CG1-CD1 4.22Å; V186-F232 HydrophobicContact CG1-CE1 3.75Å; V186-F232 HydrophobicContact CG1-CZ 4.07Å; V186-F232 HydrophobicContact CG2-CD1 3.89Å; V186-F232 HydrophobicContact CG2-CD2 4.4Å; V186-F232 HydrophobicContact CG2-CE1 4.22Å; V186-F232 HydrophobicContact CG2-CG 4Å; L211-F232 HydrophobicContact CD2-CD1 4.43Å; L211-F232 HydrophobicContact CD2-CE1 3.99Å; C229-F232 WeakPolarHBondContact O-CB 3.41Å; C229-F232 PolarHBondContact O-N 3.25Å; K230-F232 VanDerWaalsContact C-N 3.29Å; K230-F232 PolarHBondContact O-N 2.99Å; F232-E234 VanDerWaalsContact C-N 3.3Å; F232-E234 PolarHBondContact O-N 2.99Å; F232-G235 PolarHBondContact O-N 3.08Å; F232-F236 AromaticContact CD2-CD2 3.68Å; F232-F236 HydrophobicContact CD2-CD2 3.68Å; F232-F236 HydrophobicContact CD2-CE2 4.22Å; F232-F236 HydrophobicContact CE1-CB 4.38Å; F232-F236 HydrophobicContact CE2-CB 4.47Å; F232-F236 AromaticContact CE2-CD2 3.71Å; F232-F236 HydrophobicContact CE2-CD2 3.71Å; F232-F236 HydrophobicContact CE2-CE2 4.31Å; F232-F236 HydrophobicContact CE2-CG 4.29Å; F232-F236 HydrophobicContact CG-CD2 4.28Å; F232-F236 HydrophobicContact CZ-CB 4.22Å; F232-F236 HydrophobicContact CZ-CD2 4.3Å; F232-F236 PolarHBondContact O-N 2.82Å; F232-L246 HydrophobicContact CE1-CD1 4.09Å; F232-L246 HydrophobicContact CZ-CD1 3.92Å
233A86.9Confident82Confident10 Ų1064.9 Ų64.98%0.08334%0.339CS..Hα-helixtrans-66-31.3-179.700000112.8L211 C229 K230 C237 R244L211-A233 HydrophobicContact CD1-CB 3.91Å; C229-A233 WeakPolarHBondContact O-CB 3.42Å; C229-A233 PolarHBondContact O-N 2.96Å; K230-A233 PolarHBondContact O-N 3.5Å; A233-C237 HydrophobicContact CB-CB 4.43Å; A233-C237 WeakPolarHBondContact O-CA 3.17Å; A233-C237 VanDerWaalsContact O-CB 3.26Å; A233-C237 WeakPolarHBondContact O-CB 3.15Å; A233-C237 PolarHBondContact O-N 3.11Å; A233-R244 HydrophobicContact CB-CG 4.48Å; A233-R244 PolarHBondContact O-NH1 2.78Å
234E86.6Confident83Confident118 Ų11867.5 Ų67.555%0.55134%0.337SS*.Hα-helixtrans-73.9-34.6173.5-73.2176.2168.100112.2K230 F232K230-E234 WeakPolarHBondContact CE-OE1 3.45Å; K230-E234 HydrophobicContact CG-CG 4.28Å; K230-E234 IonicContact NZ-OE1 3.71Å; K230-E234 WeakPolarHBondContact O-CB 3.21Å; K230-E234 WeakPolarHBondContact O-CG 3.41Å; K230-E234 PolarHBondContact O-N 2.87Å; F232-E234 VanDerWaalsContact C-N 3.3Å; F232-E234 PolarHBondContact O-N 2.99Å
235G87.1Confident83.9Confident38 Ų3863.8 Ų63.839%0.39232%0.32SS..Hα-helixtrans-82.2-31.2-17900000115.2P231 F232P231-G235 PolarHBondContact O-N 2.81Å; P231-G235 VanDerWaalsContact O-N 3.1Å; F232-G235 PolarHBondContact O-N 3.08Å
236F91.3Very high84.8Confident18 Ų1862.6 Ų62.68%0.07932%0.315CS..Hα-helixtrans-129.8-5.7-168.2-61.5-73000115.3L150 F232 L246 S247 V251 W254L150-F236 HydrophobicContact CB-CZ 4.13Å; L150-F236 HydrophobicContact CD1-CD1 3.53Å; L150-F236 HydrophobicContact CD1-CD2 4.39Å; L150-F236 HydrophobicContact CD1-CE1 3.37Å; L150-F236 HydrophobicContact CD1-CE2 4.27Å; L150-F236 HydrophobicContact CD1-CG 4.04Å; L150-F236 HydrophobicContact CD1-CZ 3.78Å; L150-F236 HydrophobicContact CG-CD1 4.28Å; L150-F236 HydrophobicContact CG-CD2 4.3Å; L150-F236 HydrophobicContact CG-CE1 3.99Å; L150-F236 HydrophobicContact CG-CE2 4.02Å; L150-F236 HydrophobicContact CG-CG 4.43Å; L150-F236 HydrophobicContact CG-CZ 3.85Å; F232-F236 AromaticContact CD2-CD2 3.68Å; F232-F236 HydrophobicContact CD2-CD2 3.68Å; F232-F236 HydrophobicContact CD2-CE2 4.22Å; F232-F236 HydrophobicContact CE1-CB 4.38Å; F232-F236 HydrophobicContact CE2-CB 4.47Å; F232-F236 AromaticContact CE2-CD2 3.71Å; F232-F236 HydrophobicContact CE2-CD2 3.71Å; F232-F236 HydrophobicContact CE2-CE2 4.31Å; F232-F236 HydrophobicContact CE2-CG 4.29Å; F232-F236 HydrophobicContact CG-CD2 4.28Å; F232-F236 HydrophobicContact CZ-CB 4.22Å; F232-F236 HydrophobicContact CZ-CD2 4.3Å; F232-F236 PolarHBondContact O-N 2.82Å; F236-L246 HydrophobicContact CB-CD1 3.91Å; F236-S247 PolarHBondContact O-N 2.93Å; F236-V251 HydrophobicContact CD1-CG2 4.11Å; F236-W254 HydrophobicContact CE1-CB 3.61Å; F236-W254 AromaticContact CE1-CD1 3.93Å; F236-W254 HydrophobicContact CE1-CD2 4.04Å; F236-W254 AromaticContact CE1-CG 3.56Å; F236-W254 HydrophobicContact CE1-CG 3.56Å; F236-W254 HydrophobicContact CZ-CB 4.32Å; F236-W254 AromaticContact CZ-CD1 3.75Å; F236-W254 HydrophobicContact CZ-CD2 4.22Å; F236-W254 AromaticContact CZ-CG 3.84Å; F236-W254 HydrophobicContact CZ-CG 3.84Å
237C91.5Very high85.7Confident7 Ų757.2 Ų57.25%0.04729%0.29CS..EExtended strand (participates in β ladder)trans-117.7153.6-177-600000113.2A233 R244 H245A233-C237 HydrophobicContact CB-CB 4.43Å; A233-C237 WeakPolarHBondContact O-CA 3.17Å; A233-C237 VanDerWaalsContact O-CB 3.26Å; A233-C237 WeakPolarHBondContact O-CB 3.15Å; A233-C237 PolarHBondContact O-N 3.11Å; C237-R244 HydrophobicContact CB-CB 4.17Å; C237-H245 CarbonylContact C-O 3.6Å; C237-H245 WeakPolarHBondContact CA-O 3.48Å; C237-H245 WeakPolarHBondContact CB-O 3.48Å
238V90.8Very high86.5Confident13 Ų1348.6 Ų48.68%0.07926%0.259CS..EExtended strand (participates in β ladder)trans-119144.9171.6-67.40000109.3V240 H245 L250 A345V238-V240 HydrophobicContact CG2-CG2 4.16Å; V238-H245 PolarHBondContact N-O 2.91Å; V238-H245 PolarHBondContact O-N 3.42Å; V238-L250 HydrophobicContact CG1-CD1 4.34Å; V238-A345 HydrophobicContact CG2-CB 3.72Å
239D87.8Confident87.2Confident69 Ų6946.3 Ų46.337%0.36925%0.247SC..EExtended strand (participates in β ladder)trans-78.5126.4173-83.2-43.8000110.1R244D239-R244 WeakPolarHBondContact OD1-CD 3.48Å; D239-R244 WeakPolarHBondContact OD1-CG 3.38Å; D239-R244 IonicContact OD1-CZ 2.66Å; D239-R244 IonicContact OD1-NE 3.54Å; D239-R244 PolarHBondContact OD1-NE 2.91Å; D239-R244 IonicContact OD2-CZ 3.62Å; D239-R244 IonicContact OD2-NE 3.27Å; D239-R244 PolarHBondContact OD2-NE 3.05Å; D239-R244 IonicContact OD2-NH2 3.34Å; D239-R244 PolarHBondContact OD2-NH2 3.02Å
240V83.3Confident87.8Confident3 Ų348 Ų482%0.01826%0.256CS..EExtended strand (participates in β ladder)trans-133.7115.6175.8175.60000106.3V238 G242 R243 L341 R342 A345V238-V240 HydrophobicContact CG2-CG2 4.16Å; V240-G242 VanDerWaalsContact C-N 3.28Å; V240-G242 PolarHBondContact O-N 2.91Å; V240-R243 PolarHBondContact N-O 3.47Å; V240-R243 PolarHBondContact O-N 3.17Å; V240-R243 VanDerWaalsContact O-O 3.13Å; V240-L341 HydrophobicContact CG1-CD2 3.67Å; V240-R342 HydrophobicContact CG2-CB 4.5Å; V240-A345 HydrophobicContact CG2-CB 4.13Å
241Q78.1Confident88.3Confident140 Ų14042.6 Ų42.665%0.65423%0.232SC*.THydrogen-bonded Turntrans52.741.6-177.2-57.2179.5-12.300113.8R243 G339Q241-R243 PolarHBondContact O-N 3.43Å; Q241-G339 PolarHBondContact NE2-O 3.39Å
242G79.6Confident88.7Confident74 Ų7439.2 Ų39.276%0.76321%0.21SC*.THydrogen-bonded Turntrans73.28.4179.500000114.9V240V240-G242 VanDerWaalsContact C-N 3.28Å; V240-G242 PolarHBondContact O-N 2.91Å
243R84.6Confident88.9Confident164 Ų16444.1 Ų44.162%0.61923%0.228SC*.EExtended strand (participates in β ladder)trans-118.1139.1173.3-67-175178.5-163.80.1111.2V240 Q241 H245V240-R243 PolarHBondContact N-O 3.47Å; V240-R243 PolarHBondContact O-N 3.17Å; V240-R243 VanDerWaalsContact O-O 3.13Å; Q241-R243 PolarHBondContact O-N 3.43Å; R243-H245 PolarHBondContact O-N 3.37Å; R243-H245 PolarHBondContact O-ND1 2.92Å
244R89.4Confident89.1Confident95 Ų9545.7 Ų45.736%0.35823%0.232SC..EExtended strand (participates in β ladder)trans-76.3119175.6-70.7-76.1168.6148-3.2110.7L211 A233 C237 D239L211-R244 HydrophobicContact CD1-CB 3.99Å; L211-R244 HydrophobicContact CG-CB 4.28Å; L211-R244 PolarHBondContact N-O 3.5Å; A233-R244 HydrophobicContact CB-CG 4.48Å; A233-R244 PolarHBondContact O-NH1 2.78Å; C237-R244 HydrophobicContact CB-CB 4.17Å; D239-R244 WeakPolarHBondContact OD1-CD 3.48Å; D239-R244 WeakPolarHBondContact OD1-CG 3.38Å; D239-R244 IonicContact OD1-CZ 2.66Å; D239-R244 IonicContact OD1-NE 3.54Å; D239-R244 PolarHBondContact OD1-NE 2.91Å; D239-R244 IonicContact OD2-CZ 3.62Å; D239-R244 IonicContact OD2-NE 3.27Å; D239-R244 PolarHBondContact OD2-NE 3.05Å; D239-R244 IonicContact OD2-NH2 3.34Å; D239-R244 PolarHBondContact OD2-NH2 3.02Å
245H91.4Very high89.5Confident19 Ų1940.1 Ų40.19%0.08821%0.206CC..EExtended strand (participates in β ladder)trans-115139.9177.1-68.178.6000110.9C209 C237 V238 R243 S247 A345C209-H245 CarbonylContact O-C 3.57Å; C209-H245 VanDerWaalsContact O-CA 3.26Å; C209-H245 WeakPolarHBondContact O-CA 3.29Å; C237-H245 CarbonylContact C-O 3.6Å; C237-H245 WeakPolarHBondContact CA-O 3.48Å; C237-H245 WeakPolarHBondContact CB-O 3.48Å; V238-H245 PolarHBondContact N-O 2.91Å; V238-H245 PolarHBondContact O-N 3.42Å; R243-H245 PolarHBondContact O-N 3.37Å; R243-H245 PolarHBondContact O-ND1 2.92Å; H245-S247 PolarHBondContact O-N 3.27Å; H245-A345 HydrophobicContact CB-CB 4.35Å
246L93.6Very high89.7Confident0 Ų039.6 Ų39.60%019%0.193CC..EExtended strand (participates in β ladder)trans-63.9126.5176.2-170.772.1000110.2L188 C209 F232 F236 V251 V313 W347L188-L246 HydrophobicContact CD1-CD2 3.92Å; L188-L246 HydrophobicContact CD2-CB 4.4Å; L188-L246 HydrophobicContact CD2-CD2 4.39Å; C209-L246 HydrophobicContact CB-CB 4.3Å; C209-L246 PolarHBondContact O-N 3.37Å; F232-L246 HydrophobicContact CE1-CD1 4.09Å; F232-L246 HydrophobicContact CZ-CD1 3.92Å; F236-L246 HydrophobicContact CB-CD1 3.91Å; L246-V251 HydrophobicContact CD1-CG2 3.99Å; L246-V251 HydrophobicContact CD2-CG2 4.42Å; L246-V251 HydrophobicContact CG-CG2 4.13Å; L246-V313 HydrophobicContact CD2-CG2 4.2Å; L246-W347 HydrophobicContact CB-CZ2 4.47Å; L246-W347 HydrophobicContact CD2-CH2 4.12Å; L246-W347 HydrophobicContact CD2-CZ2 3.47Å; L246-W347 VanDerWaalsContact CD2-CZ2 3.47Å; L246-W347 HydrophobicContact CG-CZ2 3.71Å; L246-W347 PolarHBondContact O-NE1 2.77Å
247S92.9Very high89.7Confident0 Ų040.6 Ų40.60%021%0.205CC..  trans-90.7121.6179170.50000111.1F236 H245 T249 L250 V251 E344F236-S247 PolarHBondContact O-N 2.93Å; H245-S247 PolarHBondContact O-N 3.27Å; S247-T249 VanDerWaalsContact C-N 3.26Å; S247-T249 PolarHBondContact O-N 3.49Å; S247-T249 PolarHBondContact OG-N 3.39Å; S247-L250 PolarHBondContact O-N 2.64Å; S247-L250 PolarHBondContact OG-N 3.01Å; S247-L250 VanDerWaalsContact OG-N 3.11Å; S247-V251 WeakPolarHBondContact O-CG2 3.1Å; S247-V251 PolarHBondContact O-N 2.89Å; S247-V251 VanDerWaalsContact O-N 3.1Å; S247-E344 CarbonylContact C-O 3.55Å; S247-E344 WeakPolarHBondContact CA-O 3.34Å; S247-E344 WeakPolarHBondContact CB-O 3.19Å; S247-E344 PolarHBondContact OG-O 3.45Å
248A92.5Very high89.7Confident4 Ų440.8 Ų40.83%0.03321%0.205CC..Hα-helixtrans-62.5-37.6173.900000111.4V251 L252 A323 E344 L346 W347A248-V251 PolarHBondContact O-N 2.79Å; A248-L252 WeakPolarHBondContact O-CB 3.39Å; A248-L252 PolarHBondContact O-N 2.81Å; A248-A323 HydrophobicContact CB-CB 4.22Å; A248-E344 PolarHBondContact N-O 2.74Å; A248-L346 WeakPolarHBondContact CB-O 3.48Å; A248-W347 HydrophobicContact CB-CD2 3.9Å; A248-W347 HydrophobicContact CB-CE3 4.15Å; A248-W347 HydrophobicContact CB-CG 4.43Å; A248-W347 HydrophobicContact CB-CH2 4.19Å; A248-W347 HydrophobicContact CB-CZ2 3.88Å; A248-W347 HydrophobicContact CB-CZ3 4.32Å
249T91.1Very high89.8Confident7 Ų740.1 Ų40.14%0.04320%0.201CC..Hα-helixtrans-65.2-47178.9-52.50000111.8S247 L252 R253 E344S247-T249 VanDerWaalsContact C-N 3.26Å; S247-T249 PolarHBondContact O-N 3.49Å; S247-T249 PolarHBondContact OG-N 3.39Å; T249-L252 PolarHBondContact O-N 2.83Å; T249-R253 VanDerWaalsContact CG2-NH2 3.34Å; T249-R253 WeakPolarHBondContact O-CG 3.32Å; T249-R253 PolarHBondContact O-N 3.44Å; T249-E344 HydrophobicContact CG2-CG 4.5Å; T249-E344 WeakPolarHBondContact OG1-CA 3.39Å
250L91.6Very high90.1Very high41 Ų4141.3 Ų41.322%0.21521%0.205CC..Hα-helixtrans-64.3-42.8177.5-66.4177.8000111.6V238 S247 L252 R253 W254V238-L250 HydrophobicContact CG1-CD1 4.34Å; S247-L250 PolarHBondContact O-N 2.64Å; S247-L250 PolarHBondContact OG-N 3.01Å; S247-L250 VanDerWaalsContact OG-N 3.11Å; L250-L252 VanDerWaalsContact C-N 3.33Å; L250-L252 PolarHBondContact O-N 2.86Å; L250-R253 PolarHBondContact O-N 2.77Å; L250-W254 WeakPolarHBondContact O-CB 3.39Å; L250-W254 PolarHBondContact O-N 2.99Å
251V93Very high90.5Very high1 Ų147.2 Ų47.21%0.00623%0.227CC..Hα-helixtrans-61-43.7175.7173.60000111L150 L180 F236 L246 S247 A248 W254 F255 W347L150-V251 HydrophobicContact CD1-CB 4.43Å; L150-V251 HydrophobicContact CD1-CG1 4.05Å; L150-V251 HydrophobicContact CD1-CG2 3.9Å; L180-V251 HydrophobicContact CD1-CG1 3.55Å; F236-V251 HydrophobicContact CD1-CG2 4.11Å; L246-V251 HydrophobicContact CD1-CG2 3.99Å; L246-V251 HydrophobicContact CD2-CG2 4.42Å; L246-V251 HydrophobicContact CG-CG2 4.13Å; S247-V251 WeakPolarHBondContact O-CG2 3.1Å; S247-V251 PolarHBondContact O-N 2.89Å; S247-V251 VanDerWaalsContact O-N 3.1Å; A248-V251 PolarHBondContact O-N 2.79Å; V251-W254 PolarHBondContact O-N 3.3Å; V251-F255 VanDerWaalsContact O-CB 3.23Å; V251-F255 WeakPolarHBondContact O-CB 3.16Å; V251-F255 PolarHBondContact O-N 2.96Å; V251-W347 HydrophobicContact CB-CH2 4Å; V251-W347 HydrophobicContact CB-CZ2 4.35Å; V251-W347 HydrophobicContact CG1-CH2 4.06Å; V251-W347 HydrophobicContact CG2-CH2 4.04Å; V251-W347 HydrophobicContact CG2-CZ2 4.03Å
252L92.3Very high91.1Very high1 Ų140.5 Ų40.51%0.00520%0.195CC..Hα-helixtrans-66.2-43.1179.4179.359.7000112.1A248 T249 L250 F255 Q256 L283 Q285 P311 A323A248-L252 WeakPolarHBondContact O-CB 3.39Å; A248-L252 PolarHBondContact O-N 2.81Å; T249-L252 PolarHBondContact O-N 2.83Å; L250-L252 VanDerWaalsContact C-N 3.33Å; L250-L252 PolarHBondContact O-N 2.86Å; L252-F255 WeakPolarHBondContact O-CB 3.5Å; L252-F255 PolarHBondContact O-N 3.42Å; L252-Q256 HydrophobicContact CD1-CG 4.4Å; L252-Q256 WeakPolarHBondContact O-CG 3.45Å; L252-Q256 PolarHBondContact O-N 2.93Å; L252-L283 WeakPolarHBondContact CD2-O 3.26Å; L252-Q285 WeakPolarHBondContact CD2-O 3.49Å; L252-P311 HydrophobicContact CD1-CG 3.85Å; L252-A323 HydrophobicContact CD2-CB 4.41Å
253R91.3Very high91.8Very high104 Ų10437.8 Ų37.839%0.39216%0.163SC..Hα-helixtrans-60.1-47.8175.1-72.2179.3-161.7165.910.4111.5T249 L250 F255 Q256 A257 E344T249-R253 VanDerWaalsContact CG2-NH2 3.34Å; T249-R253 WeakPolarHBondContact O-CG 3.32Å; T249-R253 PolarHBondContact O-N 3.44Å; L250-R253 PolarHBondContact O-N 2.77Å; R253-F255 VanDerWaalsContact C-N 3.32Å; R253-F255 PolarHBondContact O-N 2.92Å; R253-Q256 PolarHBondContact O-N 2.86Å; R253-A257 PolarHBondContact O-N 3.01Å; R253-A257 VanDerWaalsContact O-N 3.15Å; R253-E344 IonicContact NH2-OE1 3.6Å
254W92.4Very high92.1Very high44 Ų4433.4 Ų33.417%0.16716%0.162CC..Hα-helixtrans-58.9-44.7174.5168.288.1000111.6L150 F152 L180 F236 L250 V251 Q256 A257 H258L150-W254 HydrophobicContact CB-CD2 4.24Å; L150-W254 HydrophobicContact CB-CE3 4.07Å; L150-W254 HydrophobicContact CB-CH2 3.61Å; L150-W254 HydrophobicContact CB-CZ2 3.77Å; L150-W254 HydrophobicContact CB-CZ3 3.76Å; L150-W254 HydrophobicContact CD1-CD2 4.42Å; L150-W254 HydrophobicContact CD1-CE3 3.99Å; L150-W254 HydrophobicContact CD1-CZ3 4.24Å; L150-W254 WeakPolarHBondContact O-CZ2 3.45Å; F152-W254 HydrophobicContact CD1-CH2 4.2Å; F152-W254 HydrophobicContact CE1-CH2 4.12Å; F152-W254 HydrophobicContact CE1-CZ3 4.27Å; L180-W254 HydrophobicContact CD1-CZ3 4.25Å; L180-W254 HydrophobicContact CD2-CH2 4.47Å; L180-W254 HydrophobicContact CD2-CZ3 3.95Å; F236-W254 HydrophobicContact CE1-CB 3.61Å; F236-W254 AromaticContact CE1-CD1 3.93Å; F236-W254 HydrophobicContact CE1-CD2 4.04Å; F236-W254 AromaticContact CE1-CG 3.56Å; F236-W254 HydrophobicContact CE1-CG 3.56Å; F236-W254 HydrophobicContact CZ-CB 4.32Å; F236-W254 AromaticContact CZ-CD1 3.75Å; F236-W254 HydrophobicContact CZ-CD2 4.22Å; F236-W254 AromaticContact CZ-CG 3.84Å; F236-W254 HydrophobicContact CZ-CG 3.84Å; L250-W254 WeakPolarHBondContact O-CB 3.39Å; L250-W254 PolarHBondContact O-N 2.99Å; V251-W254 PolarHBondContact O-N 3.3Å; W254-Q256 PolarHBondContact O-N 2.94Å; W254-A257 PolarHBondContact O-N 3.26Å; W254-H258 HydrophobicContact CZ2-CB 4.19Å; W254-H258 AromaticContact CZ2-CG 3.97Å; W254-H258 WeakPolarHBondContact O-CB 3.47Å; W254-H258 PolarHBondContact O-N 2.82Å
255F93.1Very high92.2Very high0 Ų032.4 Ų32.40%017%0.166CC..Hα-helixtrans-60.8-43.5-179.7179-103000112F152 V178 L180 V251 L252 R253 H258 L259 P287 L309 P311F152-F255 HydrophobicContact CD1-CD2 4.5Å; F152-F255 HydrophobicContact CD1-CE2 4.33Å; F152-F255 AromaticContact CE1-CD2 3.46Å; F152-F255 HydrophobicContact CE1-CD2 3.46Å; F152-F255 VanDerWaalsContact CE1-CD2 3.46Å; F152-F255 AromaticContact CE1-CE2 3.42Å; F152-F255 HydrophobicContact CE1-CE2 3.42Å; F152-F255 VanDerWaalsContact CE1-CE2 3.42Å; F152-F255 AromaticContact CZ-CD2 3.92Å; F152-F255 HydrophobicContact CZ-CD2 3.92Å; F152-F255 AromaticContact CZ-CE2 3.63Å; F152-F255 HydrophobicContact CZ-CE2 3.63Å; V178-F255 HydrophobicContact CB-CE2 3.84Å; V178-F255 HydrophobicContact CB-CZ 3.84Å; V178-F255 HydrophobicContact CG1-CE2 3.83Å; V178-F255 HydrophobicContact CG1-CZ 4.24Å; V178-F255 HydrophobicContact CG2-CE2 4.4Å; V178-F255 HydrophobicContact CG2-CZ 3.96Å; L180-F255 HydrophobicContact CD2-CD2 4.11Å; L180-F255 HydrophobicContact CD2-CE2 4.34Å; V251-F255 VanDerWaalsContact O-CB 3.23Å; V251-F255 WeakPolarHBondContact O-CB 3.16Å; V251-F255 PolarHBondContact O-N 2.96Å; L252-F255 WeakPolarHBondContact O-CB 3.5Å; L252-F255 PolarHBondContact O-N 3.42Å; R253-F255 VanDerWaalsContact C-N 3.32Å; R253-F255 PolarHBondContact O-N 2.92Å; F255-H258 PolarHBondContact O-N 2.93Å; F255-L259 HydrophobicContact CD1-CD1 3.7Å; F255-L259 HydrophobicContact CD1-CG 4.28Å; F255-L259 HydrophobicContact CE1-CD1 3.13Å; F255-L259 HydrophobicContact CE1-CG 3.94Å; F255-L259 HydrophobicContact CE2-CD1 4.24Å; F255-L259 HydrophobicContact CE2-CG 4.22Å; F255-L259 HydrophobicContact CG-CD1 4.45Å; F255-L259 HydrophobicContact CZ-CD1 3.45Å; F255-L259 VanDerWaalsContact CZ-CD1 3.45Å; F255-L259 HydrophobicContact CZ-CD2 4.22Å; F255-L259 HydrophobicContact CZ-CG 3.89Å; F255-L259 WeakPolarHBondContact O-CB 3.11Å; F255-L259 WeakPolarHBondContact O-CG 3.14Å; F255-L259 PolarHBondContact O-N 3.26Å; F255-P287 HydrophobicContact CD1-CG 4.05Å; F255-P287 HydrophobicContact CE1-CG 3.9Å; F255-L309 HydrophobicContact CE1-CB 4.17Å; F255-L309 WeakPolarHBondContact CE1-O 3.43Å; F255-L309 HydrophobicContact CZ-CB 4.25Å; F255-P311 HydrophobicContact CB-CB 4.15Å; F255-P311 HydrophobicContact CB-CG 4.34Å; F255-P311 HydrophobicContact CD1-CB 3.99Å; F255-P311 HydrophobicContact CD1-CG 3.9Å; F255-P311 HydrophobicContact CD2-CB 3.78Å; F255-P311 HydrophobicContact CE1-CB 4.28Å; F255-P311 HydrophobicContact CE1-CG 4.3Å; F255-P311 HydrophobicContact CE2-CB 4.12Å; F255-P311 HydrophobicContact CG-CB 3.72Å; F255-P311 HydrophobicContact CG-CG 4.04Å; F255-P311 HydrophobicContact CZ-CB 4.36Å
256Q92.4Very high92.2Very high27 Ų2732.2 Ų32.213%0.12617%0.167CC..Hα-helixtrans-60.7-49176.1-71.3179.92.900111.6L252 R253 W254 H258 L259 Q260 G281 Q285 P287L252-Q256 HydrophobicContact CD1-CG 4.4Å; L252-Q256 WeakPolarHBondContact O-CG 3.45Å; L252-Q256 PolarHBondContact O-N 2.93Å; R253-Q256 PolarHBondContact O-N 2.86Å; W254-Q256 PolarHBondContact O-N 2.94Å; Q256-H258 VanDerWaalsContact C-N 3.32Å; Q256-H258 PolarHBondContact O-N 2.91Å; Q256-L259 PolarHBondContact O-N 3.28Å; Q256-Q260 WeakPolarHBondContact O-CG 3.46Å; Q256-Q260 PolarHBondContact O-N 3.33Å; Q256-G281 PolarHBondContact NE2-O 2.95Å; Q256-Q285 PolarHBondContact NE2-O 3.42Å; Q256-P287 HydrophobicContact CG-CB 4.18Å; Q256-P287 HydrophobicContact CG-CG 3.96Å
257A91.1Very high92Very high39 Ų3938.6 Ų38.632%0.32219%0.191SC..Hα-helixtrans-62.8-39.6177.400000111.9R253 W254 Q260 R261R253-A257 PolarHBondContact O-N 3.01Å; R253-A257 VanDerWaalsContact O-N 3.15Å; W254-A257 PolarHBondContact O-N 3.26Å; A257-Q260 PolarHBondContact O-N 3.2Å; A257-R261 WeakPolarHBondContact O-CG 3.37Å; A257-R261 PolarHBondContact O-N 2.94Å; A257-R261 VanDerWaalsContact O-N 3.15Å
258H92Very high91.8Very high11 Ų1148 Ų485%0.05123%0.228CC..Hα-helixtrans-67.4-40.5177.7-161.660.7000112.4G134 F152 W254 F255 Q256 R261 S262G134-H258 PolarHBondContact O-NE2 3.05Å; F152-H258 AromaticContact CE1-CD2 3.6Å; F152-H258 AromaticContact CE2-CD2 3.93Å; F152-H258 AromaticContact CZ-CD2 3.55Å; W254-H258 HydrophobicContact CZ2-CB 4.19Å; W254-H258 AromaticContact CZ2-CG 3.97Å; W254-H258 WeakPolarHBondContact O-CB 3.47Å; W254-H258 PolarHBondContact O-N 2.82Å; F255-H258 PolarHBondContact O-N 2.93Å; Q256-H258 VanDerWaalsContact C-N 3.32Å; Q256-H258 PolarHBondContact O-N 2.91Å; H258-R261 PolarHBondContact O-N 3.16Å; H258-S262 WeakPolarHBondContact O-CB 3.18Å; H258-S262 PolarHBondContact O-N 3.41Å; H258-S262 PolarHBondContact O-OG 3.09Å
259L92.9Very high91.5Very high0 Ų051.2 Ų51.20%025%0.25CC..Hα-helixtrans-64.1-43.1173.8-81.4179.8000112.4L130 F152 F255 Q256 R261 S262 L263 L278 P287 L309L130-L259 HydrophobicContact CD2-CD2 3.93Å; L130-L259 HydrophobicContact CG-CD2 4.12Å; F152-L259 HydrophobicContact CE2-CD2 3.81Å; F152-L259 HydrophobicContact CZ-CD2 3.66Å; F152-L259 HydrophobicContact CZ-CG 3.97Å; F255-L259 HydrophobicContact CD1-CD1 3.7Å; F255-L259 HydrophobicContact CD1-CG 4.28Å; F255-L259 HydrophobicContact CE1-CD1 3.13Å; F255-L259 HydrophobicContact CE1-CG 3.94Å; F255-L259 HydrophobicContact CE2-CD1 4.24Å; F255-L259 HydrophobicContact CE2-CG 4.22Å; F255-L259 HydrophobicContact CG-CD1 4.45Å; F255-L259 HydrophobicContact CZ-CD1 3.45Å; F255-L259 VanDerWaalsContact CZ-CD1 3.45Å; F255-L259 HydrophobicContact CZ-CD2 4.22Å; F255-L259 HydrophobicContact CZ-CG 3.89Å; F255-L259 WeakPolarHBondContact O-CB 3.11Å; F255-L259 WeakPolarHBondContact O-CG 3.14Å; F255-L259 PolarHBondContact O-N 3.26Å; Q256-L259 PolarHBondContact O-N 3.28Å; L259-R261 VanDerWaalsContact C-N 3.32Å; L259-R261 PolarHBondContact O-N 2.66Å; L259-S262 PolarHBondContact O-N 3.07Å; L259-L263 WeakPolarHBondContact O-CB 3.46Å; L259-L263 PolarHBondContact O-N 3.23Å; L259-L278 HydrophobicContact CB-CD2 3.97Å; L259-P287 HydrophobicContact CD1-CG 3.53Å; L259-L309 HydrophobicContact CD1-CB 4.06Å; L259-L309 HydrophobicContact CD1-CD1 3.72Å; L259-L309 HydrophobicContact CD2-CD1 4.09Å
260Q92.6Very high91.3Very high94 Ų9451 Ų5144%0.43925%0.248SC..Hα-helixtrans-57.9-46.5177-76.2173.6-13.800111.2Q256 A257 L263 A264 L278Q256-Q260 WeakPolarHBondContact O-CG 3.46Å; Q256-Q260 PolarHBondContact O-N 3.33Å; A257-Q260 PolarHBondContact O-N 3.2Å; Q260-L263 PolarHBondContact O-N 3.38Å; Q260-A264 PolarHBondContact O-N 3.22Å; Q260-L278 HydrophobicContact CB-CD2 4.49Å; Q260-L278 HydrophobicContact CG-CD2 3.69Å
261R92.1Very high90.9Very high126 Ų12654 Ų5448%0.47526%0.261SS..Hα-helixtrans-65.4-38.6176.2-69.1-174.6-64.2-160.12.9112.7A257 H258 L259 A264 T265A257-R261 WeakPolarHBondContact O-CG 3.37Å; A257-R261 PolarHBondContact O-N 2.94Å; A257-R261 VanDerWaalsContact O-N 3.15Å; H258-R261 PolarHBondContact O-N 3.16Å; L259-R261 VanDerWaalsContact C-N 3.32Å; L259-R261 PolarHBondContact O-N 2.66Å; R261-A264 PolarHBondContact O-N 2.98Å; R261-T265 PolarHBondContact O-N 3.01Å; R261-T265 PolarHBondContact O-OG1 2.92Å
262S92.2Very high90.3Very high0 Ų056.8 Ų56.80%029%0.29CS..Hα-helixtrans-66-44.2177.1-56.80000111G134 H258 L259 A264 T265 V266G134-S262 WeakPolarHBondContact CA-OG 3.43Å; H258-S262 WeakPolarHBondContact O-CB 3.18Å; H258-S262 PolarHBondContact O-N 3.41Å; H258-S262 PolarHBondContact O-OG 3.09Å; L259-S262 PolarHBondContact O-N 3.07Å; S262-A264 PolarHBondContact O-N 3.32Å; S262-T265 VanDerWaalsContact O-CB 3.31Å; S262-T265 WeakPolarHBondContact O-CB 3.33Å; S262-T265 PolarHBondContact O-N 3.38Å; S262-T265 VanDerWaalsContact O-N 3.07Å; S262-V266 PolarHBondContact O-N 2.96Å
263L93.1Very high89.7Confident17 Ų1759.8 Ų59.89%0.08930%0.302CS..Hα-helixtrans-61.1-43.8176.618060.8000111.3L130 L259 Q260 T265 V266 R267 V276 L278 L289L130-L263 HydrophobicContact CD1-CB 3.92Å; L130-L263 HydrophobicContact CD1-CD1 4.48Å; L259-L263 WeakPolarHBondContact O-CB 3.46Å; L259-L263 PolarHBondContact O-N 3.23Å; Q260-L263 PolarHBondContact O-N 3.38Å; L263-T265 PolarHBondContact O-N 3.26Å; L263-T265 VanDerWaalsContact O-N 3.14Å; L263-V266 HydrophobicContact CD1-CG2 4.24Å; L263-V266 PolarHBondContact O-N 3.49Å; L263-V266 VanDerWaalsContact O-N 3.16Å; L263-R267 VanDerWaalsContact O-CB 3.28Å; L263-R267 WeakPolarHBondContact O-CB 3.32Å; L263-R267 PolarHBondContact O-N 2.89Å; L263-V276 HydrophobicContact CD1-CB 4.37Å; L263-V276 HydrophobicContact CD1-CG1 3.76Å; L263-V276 HydrophobicContact CD2-CG1 4.46Å; L263-L278 HydrophobicContact CD2-CB 3.67Å; L263-L289 HydrophobicContact CD1-CD1 4.46Å; L263-L289 HydrophobicContact CD2-CD1 4.31Å
264A91.9Very high89.5Confident72 Ų7255 Ų5560%0.59528%0.284SS*.Hα-helixtrans-56.5-29.9176.100000112.9Q260 R261 S262Q260-A264 PolarHBondContact O-N 3.22Å; R261-A264 PolarHBondContact O-N 2.98Å; S262-A264 PolarHBondContact O-N 3.32Å
265T91.1Very high89.4Confident73 Ų7361.4 Ų61.445%0.44831%0.308SS..Hα-helixtrans-75.7-41.7178.7-46.40000112.1R137 R261 S262 L263R137-T265 PolarHBondContact NE-OG1 3.28Å; R137-T265 PolarHBondContact NH2-OG1 2.96Å; R261-T265 PolarHBondContact O-N 3.01Å; R261-T265 PolarHBondContact O-OG1 2.92Å; S262-T265 VanDerWaalsContact O-CB 3.31Å; S262-T265 WeakPolarHBondContact O-CB 3.33Å; S262-T265 PolarHBondContact O-N 3.38Å; S262-T265 VanDerWaalsContact O-N 3.07Å; L263-T265 PolarHBondContact O-N 3.26Å; L263-T265 VanDerWaalsContact O-N 3.14Å
266V91.8Very high89.3Confident16 Ų1662 Ų6210%0.09731%0.312CS..Hα-helixtrans-90.6-11.9-175.5-61.60000113.3L130 A133 S262 L263 Y268 S269 L270L130-V266 HydrophobicContact CD1-CG2 4.19Å; A133-V266 HydrophobicContact CB-CG1 3.42Å; A133-V266 VanDerWaalsContact CB-CG1 3.42Å; S262-V266 PolarHBondContact O-N 2.96Å; L263-V266 HydrophobicContact CD1-CG2 4.24Å; L263-V266 PolarHBondContact O-N 3.49Å; L263-V266 VanDerWaalsContact O-N 3.16Å; V266-Y268 VanDerWaalsContact C-N 3.34Å; V266-Y268 PolarHBondContact O-N 3.24Å; V266-S269 WeakPolarHBondContact O-CB 3.43Å; V266-S269 PolarHBondContact O-N 3.46Å; V266-S269 VanDerWaalsContact O-N 3.07Å; V266-L270 HydrophobicContact CB-CD1 4.26Å; V266-L270 HydrophobicContact CG2-CD1 3.78Å; V266-L270 WeakPolarHBondContact O-CG 3.31Å; V266-L270 PolarHBondContact O-N 2.87Å; V266-L270 VanDerWaalsContact O-N 3.15Å
267R89.4Confident89.3Confident134 Ų13463.6 Ų63.651%0.50633%0.325SS..Hα-helixtrans-52.7-48.4-173.3-177.2173.7177150.7-0.1112.8L263 S269 L270 E271L263-R267 VanDerWaalsContact O-CB 3.28Å; L263-R267 WeakPolarHBondContact O-CB 3.32Å; L263-R267 PolarHBondContact O-N 2.89Å; R267-S269 VanDerWaalsContact C-N 3.32Å; R267-S269 PolarHBondContact O-N 2.96Å; R267-L270 PolarHBondContact O-N 3.29Å; R267-E271 HydrophobicContact CG-CG 4.28Å; R267-E271 WeakPolarHBondContact CG-OE1 3.25Å; R267-E271 IonicContact NE-OE1 3.04Å; R267-E271 PolarHBondContact NE-OE1 2.75Å; R267-E271 WeakPolarHBondContact O-CG 3.37Å; R267-E271 PolarHBondContact O-N 2.99Å
268Y87.4Confident89.5Confident198 Ų19863 Ų6378%0.77632%0.317SS*.Hα-helixtrans-60-41.3179.9-176.9-102.4000112.6V266 L270 E271V266-Y268 VanDerWaalsContact C-N 3.34Å; V266-Y268 PolarHBondContact O-N 3.24Å; Y268-L270 PolarHBondContact O-N 2.88Å; Y268-E271 PolarHBondContact O-N 2.7Å
269S87Confident89.5Confident70 Ų7065.8 Ų65.849%0.4934%0.335SS..Hα-helixtrans-65-25.5175.5179.20000113.1V266 R267 R273V266-S269 WeakPolarHBondContact O-CB 3.43Å; V266-S269 PolarHBondContact O-N 3.46Å; V266-S269 VanDerWaalsContact O-N 3.07Å; R267-S269 VanDerWaalsContact C-N 3.32Å; R267-S269 PolarHBondContact O-N 2.96Å; S269-R273 PolarHBondContact O-NE 3.04Å; S269-R273 PolarHBondContact O-NH2 3.32Å; S269-R273 PolarHBondContact OG-NH2 2.87Å; S269-R273 VanDerWaalsContact OG-NH2 3.16Å
270L87.1Confident89.2Confident3 Ų369.1 Ų69.12%0.01636%0.356CS..Hα-helixtrans-90.4-28-178.1-66173.1000113I126 E129 V266 R267 Y268 G272 R273 C274 V276I126-L270 HydrophobicContact CG1-CD2 4.14Å; I126-L270 HydrophobicContact CG2-CD1 4.27Å; E129-L270 WeakPolarHBondContact OE2-CD2 3.44Å; V266-L270 HydrophobicContact CB-CD1 4.26Å; V266-L270 HydrophobicContact CG2-CD1 3.78Å; V266-L270 WeakPolarHBondContact O-CG 3.31Å; V266-L270 PolarHBondContact O-N 2.87Å; V266-L270 VanDerWaalsContact O-N 3.15Å; R267-L270 PolarHBondContact O-N 3.29Å; Y268-L270 PolarHBondContact O-N 2.88Å; L270-G272 VanDerWaalsContact C-N 3.25Å; L270-G272 PolarHBondContact O-N 3.01Å; L270-G272 VanDerWaalsContact O-N 3.15Å; L270-R273 PolarHBondContact O-N 3Å; L270-C274 CarbonylContact C-O 3.4Å; L270-C274 PolarHBondContact O-N 2.83Å; L270-V276 HydrophobicContact CB-CG2 4.46Å; L270-V276 HydrophobicContact CD1-CG2 4.17Å
271E83.8Confident88.5Confident103 Ų10365.4 Ų65.448%0.48134%0.343SS..Hα-helixtrans-56.6-33.8-172.8-84.6171.217800113.9R267 Y268 R273R267-E271 HydrophobicContact CG-CG 4.28Å; R267-E271 WeakPolarHBondContact CG-OE1 3.25Å; R267-E271 IonicContact NE-OE1 3.04Å; R267-E271 PolarHBondContact NE-OE1 2.75Å; R267-E271 WeakPolarHBondContact O-CG 3.37Å; R267-E271 PolarHBondContact O-N 2.99Å; Y268-E271 PolarHBondContact O-N 2.7Å; E271-R273 PolarHBondContact O-N 2.76Å
272G78.4Confident87.8Confident60 Ų6061.3 Ų61.362%0.61934%0.341SS*.THydrogen-bonded Turntrans-69-17.9175.400000114.8L270L270-G272 VanDerWaalsContact C-N 3.25Å; L270-G272 PolarHBondContact O-N 3.01Å; L270-G272 VanDerWaalsContact O-N 3.15Å
273R81.4Confident86.7Confident65 Ų6566.7 Ų66.725%0.24537%0.369CS..THydrogen-bonded Turntrans-114.2-43.2-170.9-64.5178.3-80.3161.9-5.6112.4E129 S269 L270 E271 C294E129-R273 IonicContact OE1-CZ 3.5Å; E129-R273 IonicContact OE1-NH1 2.75Å; E129-R273 PolarHBondContact OE1-NH1 2.75Å; E129-R273 IonicContact OE1-NH2 3.29Å; E129-R273 PolarHBondContact OE1-NH2 2.93Å; E129-R273 IonicContact OE2-CZ 3.71Å; E129-R273 IonicContact OE2-NH1 3.71Å; E129-R273 IonicContact OE2-NH2 2.82Å; E129-R273 PolarHBondContact OE2-NH2 3.27Å; S269-R273 PolarHBondContact O-NE 3.04Å; S269-R273 PolarHBondContact O-NH2 3.32Å; S269-R273 PolarHBondContact OG-NH2 2.87Å; S269-R273 VanDerWaalsContact OG-NH2 3.16Å; L270-R273 PolarHBondContact O-N 3Å; E271-R273 PolarHBondContact O-N 2.76Å; R273-C294 PolarHBondContact O-N 3.04Å; R273-C294 VanDerWaalsContact O-N 3.09Å
274C86.8Confident85.8Confident2 Ų268.5 Ų68.51%0.01438%0.377CS..EExtended strand (participates in β ladder)trans-154.1147.8-174.754.30000111.1I126 L270 V276 I291 L292I126-C274 HydrophobicContact CD1-CB 4.31Å; I126-C274 WeakPolarHBondContact CD1-SG 3.11Å; L270-C274 CarbonylContact C-O 3.4Å; L270-C274 PolarHBondContact O-N 2.83Å; C274-V276 HydrophobicContact CB-CG2 4.37Å; C274-V276 VanDerWaalsContact SG-CG2 3.53Å; C274-I291 HydrophobicContact CB-CG2 4.26Å; C274-L292 CarbonylContact C-O 3.45Å; C274-L292 WeakPolarHBondContact CA-O 2.88Å
275R89.2Confident85.4Confident180 Ų18069.9 Ų69.968%0.67937%0.371SS*.EExtended strand (participates in β ladder)trans-83.7122.8165.5-176.2177.5-177.7179.91.2108.3L292 C294R275-L292 HydrophobicContact CB-CB 4.32Å; R275-L292 PolarHBondContact N-O 2.99Å; R275-L292 PolarHBondContact O-N 2.76Å; R275-C294 PolarHBondContact N-SG 3.42Å
276V92.7Very high85.3Confident13 Ų1367.7 Ų67.78%0.07936%0.358CS..EExtended strand (participates in β ladder)trans-119.2133-180-175.50000109.5I126 L263 L270 C274 L289 H290I126-V276 HydrophobicContact CG2-CG2 4.4Å; L263-V276 HydrophobicContact CD1-CB 4.37Å; L263-V276 HydrophobicContact CD1-CG1 3.76Å; L263-V276 HydrophobicContact CD2-CG1 4.46Å; L270-V276 HydrophobicContact CB-CG2 4.46Å; L270-V276 HydrophobicContact CD1-CG2 4.17Å; C274-V276 HydrophobicContact CB-CG2 4.37Å; C274-V276 VanDerWaalsContact SG-CG2 3.53Å; V276-L289 HydrophobicContact CG1-CD1 3.33Å; V276-L289 HydrophobicContact CG1-CD2 4.37Å; V276-L289 HydrophobicContact CG1-CG 3.89Å; V276-H290 VanDerWaalsContact CA-O 3.31Å; V276-H290 WeakPolarHBondContact CA-O 3.48Å
277S92Very high85.4Confident59 Ų5967 Ų6741%0.41335%0.353SS..EExtended strand (participates in β ladder)trans-134.4152171.259.60000110.4L289 H290S277-L289 CarbonylContact O-C 3.59Å; S277-H290 PolarHBondContact N-O 3.27Å; S277-H290 PolarHBondContact O-N 3.22Å
278L94.1Very high85.7Confident28 Ų2862.3 Ų62.315%0.14734%0.34CS..EExtended strand (participates in β ladder)trans-116.8118.7178.3-173.169.8000108.6L259 Q260 L263 P287 L289 L309L259-L278 HydrophobicContact CB-CD2 3.97Å; Q260-L278 HydrophobicContact CB-CD2 4.49Å; Q260-L278 HydrophobicContact CG-CD2 3.69Å; L263-L278 HydrophobicContact CD2-CB 3.67Å; L278-P287 HydrophobicContact CD1-CB 4.05Å; L278-P287 HydrophobicContact CG-CB 4.47Å; L278-L289 HydrophobicContact CD1-CB 4.22Å; L278-L289 HydrophobicContact CD1-CD1 4.07Å; L278-L309 HydrophobicContact CD1-CD1 4.45Å
279T93.6Very high86.1Confident69 Ų6952.9 Ų52.942%0.42330%0.303SS..EExtended strand (participates in β ladder)trans-90.4115.9170.1-55.40000107.1G281 T288 H290T279-G281 PolarHBondContact O-N 3.49Å; T279-T288 PolarHBondContact N-O 3.11Å; T279-T288 PolarHBondContact O-N 3.35Å; T279-H290 PolarHBondContact OG1-CD2 3.08Å; T279-H290 PolarHBondContact OG1-NE2 3.17Å
280P86.6Confident86.5Confident69 Ų6952.4 Ų52.445%0.44829%0.293SS..  trans-60.4138.1173.726.8-32000108.6
281G76.9Confident86.7Confident16 Ų1652.2 Ų52.217%0.16529%0.292CS..  trans-75.8162.4171.500000110.1Q256 T279 Q285Q256-G281 PolarHBondContact NE2-O 2.95Å; T279-G281 PolarHBondContact O-N 3.49Å; G281-Q285 WeakPolarHBondContact CA-O 3.26Å
282G77.1Confident87Confident41 Ų4150.8 Ų50.842%0.42329%0.287SS..  trans-5917916600000112.4E284 Q285G282-E284 PolarHBondContact O-N 2.77Å; G282-Q285 PolarHBondContact O-N 2.84Å
283L70.4Confident87.3Confident113 Ų11348.5 Ų48.559%0.59226%0.261SS*.THydrogen-bonded Turntrans-52.9-30.1-175.3-71.8171.4000114.5L252L252-L283 WeakPolarHBondContact CD2-O 3.26Å
284E73.6Confident87Confident55 Ų5548.9 Ų48.926%0.25727%0.273SS..THydrogen-bonded Turntrans-117.69-178.6-58.7-173.615200112.8G282G282-E284 PolarHBondContact O-N 2.77Å
285Q83.9Confident86Confident100 Ų10059 Ų5947%0.46731%0.311SS..SBendtrans-111.7135.4-177.1-67.2-177.7-3.300112.1L252 Q256 G281 G282L252-Q285 WeakPolarHBondContact CD2-O 3.49Å; Q256-Q285 PolarHBondContact NE2-O 3.42Å; G281-Q285 WeakPolarHBondContact CA-O 3.26Å; G282-Q285 PolarHBondContact O-N 2.84Å
286P88.5Confident84.7Confident28 Ų2852.1 Ų52.118%0.18229%0.289CS..  trans-62.4143.5173.127-35.6000111.2R308 L309 I310P286-R308 HydrophobicContact CB-CG 3.92Å; P286-R308 VanDerWaalsContact CG-CD 3.46Å; P286-R308 HydrophobicContact CG-CG 3.42Å; P286-R308 VanDerWaalsContact CG-CG 3.42Å; P286-L309 VanDerWaalsContact CB-O 3.22Å; P286-L309 WeakPolarHBondContact CB-O 3.48Å; P286-I310 HydrophobicContact CB-CG1 4.07Å; P286-I310 HydrophobicContact CG-CG1 4.16Å
287P93.6Very high83Confident0 Ų059.3 Ų59.30%033%0.327CS..  trans-65.9151.3175.728.2-34.4000111.7F255 Q256 L259 L278 L309F255-P287 HydrophobicContact CD1-CG 4.05Å; F255-P287 HydrophobicContact CE1-CG 3.9Å; Q256-P287 HydrophobicContact CG-CB 4.18Å; Q256-P287 HydrophobicContact CG-CG 3.96Å; L259-P287 HydrophobicContact CD1-CG 3.53Å; L278-P287 HydrophobicContact CD1-CB 4.05Å; L278-P287 HydrophobicContact CG-CB 4.47Å; P287-L309 WeakPolarHBondContact CD-O 3.5Å; P287-L309 PolarHBondContact O-N 3.04Å
288T95.8Very high81.6Confident37 Ų3763.1 Ų63.123%0.22733%0.333CS..EExtended strand (participates in β ladder)trans-113.9120.7179.9-59.60000110.4T279 A306 V307T279-T288 PolarHBondContact N-O 3.11Å; T279-T288 PolarHBondContact O-N 3.35Å; T288-A306 HydrophobicContact CG2-CB 3.84Å; T288-V307 WeakPolarHBondContact CA-O 3.47Å
289L95.8Very high80.3Confident0 Ų064.9 Ų64.90%036%0.358CS..EExtended strand (participates in β ladder)trans-88.1116.8174.2-17475.7000109.2I126 V127 L130 L263 V276 S277 L278 I291 V307 L309I126-L289 HydrophobicContact CG2-CD2 4.04Å; V127-L289 HydrophobicContact CG2-CD2 4.33Å; L130-L289 HydrophobicContact CD2-CD1 4.36Å; L130-L289 HydrophobicContact CD2-CD2 4.14Å; L263-L289 HydrophobicContact CD1-CD1 4.46Å; L263-L289 HydrophobicContact CD2-CD1 4.31Å; V276-L289 HydrophobicContact CG1-CD1 3.33Å; V276-L289 HydrophobicContact CG1-CD2 4.37Å; V276-L289 HydrophobicContact CG1-CG 3.89Å; S277-L289 CarbonylContact O-C 3.59Å; L278-L289 HydrophobicContact CD1-CB 4.22Å; L278-L289 HydrophobicContact CD1-CD1 4.07Å; L289-I291 HydrophobicContact CD2-CD1 4.07Å; L289-I291 HydrophobicContact CD2-CG1 4.15Å; L289-I291 HydrophobicContact CG-CG1 4.2Å; L289-V307 HydrophobicContact CB-CB 4.26Å; L289-V307 PolarHBondContact N-O 3.48Å; L289-V307 PolarHBondContact O-N 2.93Å; L289-L309 HydrophobicContact CB-CD1 3.96Å; L289-L309 HydrophobicContact CB-CG 4.37Å; L289-L309 HydrophobicContact CD2-CD1 4.48Å
290H94.8Very high79.1Confident59 Ų5963 Ų6327%0.27335%0.347SS..EExtended strand (participates in β ladder)trans-93.3128.1174.2-59.7-85.2000109.6V276 S277 T279 M305V276-H290 VanDerWaalsContact CA-O 3.31Å; V276-H290 WeakPolarHBondContact CA-O 3.48Å; S277-H290 PolarHBondContact N-O 3.27Å; S277-H290 PolarHBondContact O-N 3.22Å; T279-H290 PolarHBondContact OG1-CD2 3.08Å; T279-H290 PolarHBondContact OG1-NE2 3.17Å; H290-M305 WeakPolarHBondContact CA-O 3.38Å
291I92.4Very high78.1Confident0 Ų060.9 Ų60.90%033%0.334CS..EExtended strand (participates in β ladder)trans-121.2118-179.1-57.8169.9000107.7V123 I126 C274 L289 M305 V307V123-I291 HydrophobicContact CG2-CD1 4.35Å; I126-I291 HydrophobicContact CB-CD1 4.14Å; I126-I291 HydrophobicContact CD1-CB 4.43Å; I126-I291 HydrophobicContact CD1-CD1 3.89Å; I126-I291 HydrophobicContact CD1-CG1 4.19Å; I126-I291 HydrophobicContact CD1-CG2 3.4Å; I126-I291 HydrophobicContact CG2-CD1 4.01Å; I126-I291 HydrophobicContact CG2-CG1 4.39Å; C274-I291 HydrophobicContact CB-CG2 4.26Å; L289-I291 HydrophobicContact CD2-CD1 4.07Å; L289-I291 HydrophobicContact CD2-CG1 4.15Å; L289-I291 HydrophobicContact CG-CG1 4.2Å; I291-M305 HydrophobicContact CB-CB 4.43Å; I291-M305 HydrophobicContact CB-CE 4.49Å; I291-M305 HydrophobicContact CG2-CE 4.07Å; I291-M305 PolarHBondContact N-O 3.18Å; I291-M305 PolarHBondContact O-N 3.34Å; I291-V307 HydrophobicContact CD1-CG2 3.71Å
292L90Very high78Confident73 Ų7369 Ų6938%0.38236%0.36SS..EExtended strand (participates in β ladder)trans-117.6105.3172.8179.666.2000108.9C274 R275 C294C274-L292 CarbonylContact C-O 3.45Å; C274-L292 WeakPolarHBondContact CA-O 2.88Å; R275-L292 HydrophobicContact CB-CB 4.32Å; R275-L292 PolarHBondContact N-O 2.99Å; R275-L292 PolarHBondContact O-N 2.76Å; L292-C294 PolarHBondContact O-N 3.37Å
293P85Confident78.3Confident11 Ų1169.9 Ų69.97%0.07135%0.354CS..EExtended strand (participates in β ladder)trans-67134.5178.8-19.433.5000111.2T296 C301 L303 M305P293-T296 HydrophobicContact CB-CG2 3.84Å; P293-C301 WeakPolarHBondContact CB-O 3.2Å; P293-C301 WeakPolarHBondContact CG-O 3.2Å; P293-L303 WeakPolarHBondContact CD-O 3.34Å; P293-M305 HydrophobicContact CG-CE 3.69Å
294C74.6Confident79.2Confident73 Ų7367.7 Ų67.749%0.49335%0.349SS..  trans-99.3-37.6-172.4-65.30000113.2R273 R275 L292R273-C294 PolarHBondContact O-N 3.04Å; R273-C294 VanDerWaalsContact O-N 3.09Å; R275-C294 PolarHBondContact N-SG 3.42Å; L292-C294 PolarHBondContact O-N 3.37Å
295R64.6Low80.2Confident215 Ų21565.3 Ų65.381%0.81134%0.337SS*.  trans-135.3101.2-176.6-66.2-170.1-177.8-138.12.6109
296T62.6Low80.7Confident35 Ų3561.8 Ų61.822%0.21533%0.326CS..  trans-132.9129.2176.953.30000108.5P293 Y298 C301P293-T296 HydrophobicContact CB-CG2 3.84Å; T296-Y298 PolarHBondContact O-N 3.03Å; T296-Y298 VanDerWaalsContact O-N 3.1Å; T296-Y298 PolarHBondContact OG1-O 2.79Å; T296-C301 VanDerWaalsContact CB-CB 3.44Å; T296-C301 HydrophobicContact CG2-CB 3.53Å; T296-C301 WeakPolarHBondContact OG1-CB 3.49Å
297D57.5Low81Confident164 Ų16460.5 Ų60.588%0.87732%0.317SS*.SBendtrans-66.8-8.5179-53.9-43000112
298Y62Low81.1Confident140 Ų14065.1 Ų65.155%0.54934%0.335SS..SBendtrans-118.2124.8-178.9-60.2-84000111.2T296 C300 C301T296-Y298 PolarHBondContact O-N 3.03Å; T296-Y298 VanDerWaalsContact O-N 3.1Å; T296-Y298 PolarHBondContact OG1-O 2.79Å; Y298-C300 VanDerWaalsContact CB-SG 3.56Å; Y298-C300 PolarHBondContact O-N 2.81Å; Y298-C300 VanDerWaalsContact O-N 3.09Å; Y298-C301 WeakPolarHBondContact O-CB 3.35Å; Y298-C301 PolarHBondContact O-N 2.95Å
299G66.4Low81.2Confident65 Ų6563.4 Ų63.467%0.6732%0.324SS*.G310 helixtrans-58.4-23.517800000114.4C301G299-C301 PolarHBondContact O-N 3.45Å
300C68.5Low81.1Confident28 Ų2864.1 Ų64.119%0.18933%0.327CS..G310 helixtrans-66.4-17.8175.558.70000113.9V115 H118 Y298V115-C300 HydrophobicContact CB-CB 4.44Å; V115-C300 HydrophobicContact CG1-CB 4.26Å; V115-C300 HydrophobicContact CG2-CB 3.82Å; H118-C300 PolarHBondContact ND1-SG 3.27Å; H118-C300 VanDerWaalsContact ND1-SG 3.44Å; Y298-C300 VanDerWaalsContact CB-SG 3.56Å; Y298-C300 PolarHBondContact O-N 2.81Å; Y298-C300 VanDerWaalsContact O-N 3.09Å
301C65.8Low81.2Confident25 Ų2561.5 Ų61.517%0.16932%0.316CS..G310 helixtrans-98.812.6-173.4-590000113.4H118 P293 T296 Y298 G299 L303H118-C301 PolarHBondContact ND1-SG 3.22Å; P293-C301 WeakPolarHBondContact CB-O 3.2Å; P293-C301 WeakPolarHBondContact CG-O 3.2Å; T296-C301 VanDerWaalsContact CB-CB 3.44Å; T296-C301 HydrophobicContact CG2-CB 3.53Å; T296-C301 WeakPolarHBondContact OG1-CB 3.49Å; Y298-C301 WeakPolarHBondContact O-CB 3.35Å; Y298-C301 PolarHBondContact O-N 2.95Å; G299-C301 PolarHBondContact O-N 3.45Å; C301-L303 VanDerWaalsContact C-N 3.28Å
302R75.8Confident81.3Confident188 Ų18861.5 Ų61.571%0.70932%0.316SS*.  trans-897.8174.8-64.1-173.7-178.4179.40.4113.7
303L83.9Confident81.6Confident59 Ų5958 Ų5831%0.30930%0.298SS..  trans-78.2127.6-177.3-63.6170.1000110V115 P171 P293 C301V115-L303 HydrophobicContact CG1-CD1 3.6Å; P171-L303 HydrophobicContact CG-CD1 3.82Å; P293-L303 WeakPolarHBondContact CD-O 3.34Å; C301-L303 VanDerWaalsContact C-N 3.28Å
304S89.4Confident81.9Confident67 Ų6761.3 Ų61.347%0.46931%0.312SS..  trans-66.7132.4168.5-177.50000109.3
305M92.6Very high82.5Confident4 Ų459.5 Ų59.52%0.0230%0.297CS..EExtended strand (participates in β ladder)trans-120.7136.7-179.1-64.1169.6-79.600109.6H122 V123 F174 H290 I291 P293H122-M305 HydrophobicContact CB-CE 4.36Å; V123-M305 HydrophobicContact CG2-SD 3.97Å; F174-M305 HydrophobicContact CD2-CB 4.29Å; F174-M305 HydrophobicContact CE2-CB 4.1Å; F174-M305 HydrophobicContact CE2-CG 3.86Å; F174-M305 HydrophobicContact CE2-SD 3.98Å; H290-M305 WeakPolarHBondContact CA-O 3.38Å; I291-M305 HydrophobicContact CB-CB 4.43Å; I291-M305 HydrophobicContact CB-CE 4.49Å; I291-M305 HydrophobicContact CG2-CE 4.07Å; I291-M305 PolarHBondContact N-O 3.18Å; I291-M305 PolarHBondContact O-N 3.34Å; P293-M305 HydrophobicContact CG-CE 3.69Å
306A94.8Very high83.5Confident27 Ų2750 Ų5022%0.22327%0.266CS..EExtended strand (participates in β ladder)trans-109.1122172.300000109D172 S173 F174 T288D172-A306 PolarHBondContact O-N 2.56Å; S173-A306 CarbonylContact C-O 3.59Å; S173-A306 VanDerWaalsContact CA-O 3.26Å; S173-A306 WeakPolarHBondContact CA-O 3.29Å; F174-A306 PolarHBondContact N-O 2.98Å; T288-A306 HydrophobicContact CG2-CB 3.84Å
307V96.5Very high84.6Confident0 Ų052.2 Ų52.20%028%0.277CS..EExtended strand (participates in β ladder)trans-114.3111.2-178.4-170.40000109V123 V127 F174 V176 T288 L289 I291 L309V123-V307 HydrophobicContact CB-CG2 4.41Å; V123-V307 HydrophobicContact CG1-CG1 3.96Å; V123-V307 HydrophobicContact CG1-CG2 3.77Å; V123-V307 HydrophobicContact CG2-CG2 3.79Å; V127-V307 HydrophobicContact CG2-CG1 4.04Å; F174-V307 HydrophobicContact CB-CG1 4.21Å; F174-V307 HydrophobicContact CB-CG2 4.25Å; F174-V307 CarbonylContact O-C 3.56Å; F174-V307 VanDerWaalsContact O-CA 3.32Å; F174-V307 WeakPolarHBondContact O-CA 3.31Å; V176-V307 HydrophobicContact CB-CG1 4.35Å; V176-V307 HydrophobicContact CG2-CG1 3.79Å; T288-V307 WeakPolarHBondContact CA-O 3.47Å; L289-V307 HydrophobicContact CB-CB 4.26Å; L289-V307 PolarHBondContact N-O 3.48Å; L289-V307 PolarHBondContact O-N 2.93Å; I291-V307 HydrophobicContact CD1-CG2 3.71Å; V307-L309 HydrophobicContact CG1-CD2 4.19Å; V307-L309 PolarHBondContact O-N 3.41Å
308R95.4Very high85.9Confident98 Ų9844.9 Ų44.937%0.3724%0.24SC..EExtended strand (participates in β ladder)trans-77.6114.7174.7-164.1170.282-121-4.1108.9F174 D175 V176 P286 I310F174-R308 PolarHBondContact O-N 3Å; D175-R308 WeakPolarHBondContact OD1-CB 3.19Å; D175-R308 IonicContact OD1-CZ 3.22Å; D175-R308 IonicContact OD1-NE 3.04Å; D175-R308 IonicContact OD1-NH1 3.35Å; D175-R308 PolarHBondContact OD1-NH1 3.33Å; D175-R308 IonicContact OD1-NH2 3.87Å; D175-R308 PolarHBondContact OD1-NH2 3.03Å; D175-R308 IonicContact OD2-CZ 2.84Å; D175-R308 IonicContact OD2-NH1 3.77Å; D175-R308 PolarHBondContact OD2-NH1 2.95Å; D175-R308 IonicContact OD2-NH2 3.27Å; D175-R308 PolarHBondContact OD2-NH2 3.01Å; V176-R308 PolarHBondContact N-O 3.15Å; P286-R308 HydrophobicContact CB-CG 3.92Å; P286-R308 VanDerWaalsContact CG-CD 3.46Å; P286-R308 HydrophobicContact CG-CG 3.42Å; P286-R308 VanDerWaalsContact CG-CG 3.42Å; R308-I310 HydrophobicContact CG-CG1 4.13Å
309L96.3Very high87.3Confident0 Ų038.2 Ų38.20%021%0.214CC..EExtended strand (participates in β ladder)trans-96.4110.2-179.7-63.2172.3000109.1V127 L130 V176 V178 F255 L259 L278 P286 P287 L289 V307V127-L309 HydrophobicContact CG1-CD2 3.96Å; V127-L309 HydrophobicContact CG2-CD2 4.14Å; L130-L309 HydrophobicContact CD2-CD1 3.82Å; V176-L309 HydrophobicContact CB-CD2 4.35Å; V178-L309 HydrophobicContact CG2-CD2 4.26Å; F255-L309 HydrophobicContact CE1-CB 4.17Å; F255-L309 WeakPolarHBondContact CE1-O 3.43Å; F255-L309 HydrophobicContact CZ-CB 4.25Å; L259-L309 HydrophobicContact CD1-CB 4.06Å; L259-L309 HydrophobicContact CD1-CD1 3.72Å; L259-L309 HydrophobicContact CD2-CD1 4.09Å; L278-L309 HydrophobicContact CD1-CD1 4.45Å; P286-L309 VanDerWaalsContact CB-O 3.22Å; P286-L309 WeakPolarHBondContact CB-O 3.48Å; P287-L309 WeakPolarHBondContact CD-O 3.5Å; P287-L309 PolarHBondContact O-N 3.04Å; L289-L309 HydrophobicContact CB-CD1 3.96Å; L289-L309 HydrophobicContact CB-CG 4.37Å; L289-L309 HydrophobicContact CD2-CD1 4.48Å; V307-L309 HydrophobicContact CG1-CD2 4.19Å; V307-L309 PolarHBondContact O-N 3.41Å
310I95.6Very high88.6Confident15 Ų1535.2 Ų35.28%0.07718%0.182CC..EExtended strand (participates in β ladder)trans-107114.7-170.1-54169000108.9D175 V176 L177 V178 P286 R308 A312 V322D175-I310 HydrophobicContact CB-CD1 4.38Å; V176-I310 PolarHBondContact O-N 3.2Å; L177-I310 CarbonylContact C-O 3.54Å; L177-I310 WeakPolarHBondContact CA-O 3.11Å; L177-I310 HydrophobicContact CD2-CB 3.84Å; L177-I310 HydrophobicContact CD2-CD1 4.11Å; L177-I310 HydrophobicContact CD2-CG2 3.87Å; V178-I310 PolarHBondContact N-O 3.16Å; P286-I310 HydrophobicContact CB-CG1 4.07Å; P286-I310 HydrophobicContact CG-CG1 4.16Å; R308-I310 HydrophobicContact CG-CG1 4.13Å; I310-A312 PolarHBondContact O-N 3.26Å; I310-V322 HydrophobicContact CG2-CB 3.93Å; I310-V322 HydrophobicContact CG2-CG1 3.66Å
311P95.6Very high89.9Confident4 Ų433.9 Ų33.93%0.02617%0.173CC..EExtended strand (participates in β ladder)trans-63.6133.4173.825.5-30.6000110L180 L252 F255L180-P311 HydrophobicContact CD1-CB 4.07Å; L252-P311 HydrophobicContact CD1-CG 3.85Å; F255-P311 HydrophobicContact CB-CB 4.15Å; F255-P311 HydrophobicContact CB-CG 4.34Å; F255-P311 HydrophobicContact CD1-CB 3.99Å; F255-P311 HydrophobicContact CD1-CG 3.9Å; F255-P311 HydrophobicContact CD2-CB 3.78Å; F255-P311 HydrophobicContact CE1-CB 4.28Å; F255-P311 HydrophobicContact CE1-CG 4.3Å; F255-P311 HydrophobicContact CE2-CB 4.12Å; F255-P311 HydrophobicContact CG-CB 3.72Å; F255-P311 HydrophobicContact CG-CG 4.04Å; F255-P311 HydrophobicContact CZ-CB 4.36Å
312A95.8Very high91.2Very high0 Ų033.4 Ų33.40%017%0.17CC..EExtended strand (participates in β ladder)trans-131118.6-173.200000111.2L177 V178 P179 L180 I310 F320 L321 V322L177-A312 HydrophobicContact CB-CB 4.04Å; V178-A312 PolarHBondContact O-N 3.28Å; P179-A312 CarbonylContact C-O 3.51Å; P179-A312 WeakPolarHBondContact CA-O 3.39Å; L180-A312 PolarHBondContact N-O 3.13Å; I310-A312 PolarHBondContact O-N 3.26Å; A312-F320 HydrophobicContact CB-CB 3.96Å; A312-F320 HydrophobicContact CB-CD1 3.89Å; A312-F320 HydrophobicContact CB-CG 4.1Å; A312-L321 WeakPolarHBondContact CA-O 3.35Å; A312-V322 HydrophobicContact CB-CG1 4.43Å
313V94.3Very high92Very high1 Ų125.5 Ų25.51%0.00614%0.144CC..EExtended strand (participates in β ladder)trans-92.8123174.4-179.30000108.7L180 L182 L188 L246 F320 L321 W347L180-V313 HydrophobicContact CD1-CG2 4.31Å; L182-V313 HydrophobicContact CD1-CG1 4.09Å; L182-V313 HydrophobicContact CD2-CG1 4.26Å; L182-V313 HydrophobicContact CG-CG1 4.41Å; L188-V313 HydrophobicContact CD1-CG1 3.52Å; L246-V313 HydrophobicContact CD2-CG2 4.2Å; V313-F320 CarbonylContact O-C 3.47Å; V313-F320 VanDerWaalsContact O-CA 3.31Å; V313-F320 WeakPolarHBondContact O-CA 3.33Å; V313-L321 HydrophobicContact CB-CB 4.29Å; V313-L321 PolarHBondContact N-O 3.33Å; V313-L321 PolarHBondContact O-N 3.44Å; V313-W347 HydrophobicContact CG2-CH2 3.74Å; V313-W347 HydrophobicContact CG2-CZ3 3.96Å
314H91.9Very high92Very high79 Ų7923.5 Ų23.537%0.36614%0.135SC..EExtended strand (participates in β ladder)trans-77.2128.6-175.1-177.4-121.3000111.6G316 F320H314-G316 PolarHBondContact NE2-N 2.88Å; H314-F320 HydrophobicContact CB-CD1 4.06Å; H314-F320 HydrophobicContact CB-CE1 3.88Å; H314-F320 AromaticContact CD2-CE1 3.52Å; H314-F320 AromaticContact CD2-CZ 3.79Å
315L87.4Confident91.4Very high35 Ų3525.6 Ų25.618%0.18315%0.147CC..EExtended strand (participates in β ladder)trans-100.6-18175.8-77.7-173.7000114.5P190 V319 L321 L472P190-L315 HydrophobicContact CB-CD1 4.03Å; P190-L315 HydrophobicContact CB-CD2 4.01Å; P190-L315 HydrophobicContact CG-CD1 4.12Å; P190-L315 HydrophobicContact CG-CD2 3.73Å; L315-V319 HydrophobicContact CB-CG1 4.45Å; L315-V319 HydrophobicContact CD1-CG1 4.45Å; L315-V319 PolarHBondContact N-O 2.91Å; L315-L321 HydrophobicContact CD1-CD1 3.68Å; L315-L321 HydrophobicContact CD1-CD2 3.7Å; L315-L321 HydrophobicContact CD1-CG 3.47Å; L315-L321 VanDerWaalsContact CD1-CG 3.47Å; L315-L321 HydrophobicContact CD2-CD1 3.51Å; L315-L321 HydrophobicContact CD2-CG 4.17Å; L315-L321 HydrophobicContact CG-CD1 3.59Å; L315-L321 HydrophobicContact CG-CD2 4.43Å; L315-L321 HydrophobicContact CG-CG 3.65Å; L315-L472 HydrophobicContact CD1-CD1 4.21Å
316G85.9Confident90.4Very high16 Ų1627.4 Ų27.417%0.16516%0.159CC..EExtended strand (participates in β ladder)trans123.3159-17100000111.9H314 G318 V319H314-G316 PolarHBondContact NE2-N 2.88Å; G316-G318 PolarHBondContact O-N 2.89Å; G316-V319 WeakPolarHBondContact O-CB 3.37Å; G316-V319 PolarHBondContact O-N 3.07Å
317D85.3Confident89Confident81 Ų8127.6 Ų27.643%0.43316%0.158SC..THydrogen-bonded Turntrans5224.4174.8-51.4-44.3000115.8V319 Q354 P467D317-V319 VanDerWaalsContact C-N 3.34Å; D317-Q354 PolarHBondContact O-NE2 3.39Å; D317-P467 VanDerWaalsContact CB-O 3.28Å; D317-P467 WeakPolarHBondContact CB-O 3.26Å
318G85.3Confident87.2Confident11 Ų1129.8 Ų29.811%0.11317%0.172CC..THydrogen-bonded Turntrans79.212.9-177.300000114.6G316 F320 Q354G316-G318 PolarHBondContact O-N 2.89Å; G318-F320 WeakPolarHBondContact O-CD2 3.48Å; G318-F320 WeakPolarHBondContact O-CE2 3.49Å; G318-Q354 PolarHBondContact O-NE2 2.83Å; G318-Q354 PolarHBondContact O-OE1 3.43Å
319V91.5Very high85.3Confident0 Ų028.3 Ų28.30%018%0.177CC..EExtended strand (participates in β ladder)trans-89.6140.6172.3177.80000110L315 G316 D317 V349 Q354 L468 P469 L472L315-V319 HydrophobicContact CB-CG1 4.45Å; L315-V319 HydrophobicContact CD1-CG1 4.45Å; L315-V319 PolarHBondContact N-O 2.91Å; G316-V319 WeakPolarHBondContact O-CB 3.37Å; G316-V319 PolarHBondContact O-N 3.07Å; D317-V319 VanDerWaalsContact C-N 3.34Å; V319-V349 HydrophobicContact CG1-CG1 3.78Å; V319-Q354 VanDerWaalsContact CG2-NE2 3.28Å; V319-L468 HydrophobicContact CG2-CD2 4.24Å; V319-P469 HydrophobicContact CB-CG 4.16Å; V319-P469 HydrophobicContact CG2-CG 4.08Å; V319-L472 HydrophobicContact CB-CD2 4.31Å; V319-L472 HydrophobicContact CG1-CD1 4.4Å; V319-L472 HydrophobicContact CG1-CD2 3.52Å; V319-L472 HydrophobicContact CG2-CD2 3.9Å
320F94.1Very high83Confident1 Ų134.3 Ų34.30%0.00422%0.216CC..EExtended strand (participates in β ladder)trans-129.1149.9179.2-58.9-87.9000111.9I157 L177 P179 A312 V313 H314 G318 N350I157-F320 HydrophobicContact CD1-CD2 4.22Å; I157-F320 HydrophobicContact CD1-CE1 4Å; I157-F320 HydrophobicContact CD1-CE2 3.33Å; I157-F320 HydrophobicContact CD1-CZ 3.2Å; L177-F320 HydrophobicContact CD1-CD2 4.05Å; L177-F320 HydrophobicContact CD1-CG 4.42Å; P179-F320 HydrophobicContact CB-CE1 4.24Å; P179-F320 HydrophobicContact CG-CE1 4.14Å; A312-F320 HydrophobicContact CB-CB 3.96Å; A312-F320 HydrophobicContact CB-CD1 3.89Å; A312-F320 HydrophobicContact CB-CG 4.1Å; V313-F320 CarbonylContact O-C 3.47Å; V313-F320 VanDerWaalsContact O-CA 3.31Å; V313-F320 WeakPolarHBondContact O-CA 3.33Å; H314-F320 HydrophobicContact CB-CD1 4.06Å; H314-F320 HydrophobicContact CB-CE1 3.88Å; H314-F320 AromaticContact CD2-CE1 3.52Å; H314-F320 AromaticContact CD2-CZ 3.79Å; G318-F320 WeakPolarHBondContact O-CD2 3.48Å; G318-F320 WeakPolarHBondContact O-CE2 3.49Å; F320-N350 HydrophobicContact CB-CB 4.46Å; F320-N350 PolarHBondContact N-O 3.34Å; F320-N350 VanDerWaalsContact N-O 3.15Å; F320-N350 PolarHBondContact O-N 3.39Å
321L94.4Very high80.4Confident0 Ų038 Ų380%024%0.244CC..EExtended strand (participates in β ladder)trans-96.3135.9166.4-65.2162.9000109.6F207 C209 A312 V313 L315 W347 G348 V349F207-L321 HydrophobicContact CB-CD2 4.27Å; C209-L321 WeakPolarHBondContact SG-CD1 3.33Å; A312-L321 WeakPolarHBondContact CA-O 3.35Å; V313-L321 HydrophobicContact CB-CB 4.29Å; V313-L321 PolarHBondContact N-O 3.33Å; V313-L321 PolarHBondContact O-N 3.44Å; L315-L321 HydrophobicContact CD1-CD1 3.68Å; L315-L321 HydrophobicContact CD1-CD2 3.7Å; L315-L321 HydrophobicContact CD1-CG 3.47Å; L315-L321 VanDerWaalsContact CD1-CG 3.47Å; L315-L321 HydrophobicContact CD2-CD1 3.51Å; L315-L321 HydrophobicContact CD2-CG 4.17Å; L315-L321 HydrophobicContact CG-CD1 3.59Å; L315-L321 HydrophobicContact CG-CD2 4.43Å; L315-L321 HydrophobicContact CG-CG 3.65Å; L321-W347 HydrophobicContact CB-CB 4.27Å; L321-W347 HydrophobicContact CB-CD2 4.07Å; L321-W347 HydrophobicContact CB-CE3 3.55Å; L321-W347 HydrophobicContact CB-CG 4.39Å; L321-W347 HydrophobicContact CB-CZ3 4.21Å; L321-W347 HydrophobicContact CD2-CB 3.86Å; L321-G348 WeakPolarHBondContact CA-O 3.25Å; L321-V349 HydrophobicContact CD2-CG2 3.91Å
322V94.3Very high77.8Confident16 Ų1641.8 Ų41.810%0.09728%0.283CS..EExtended strand (participates in β ladder)trans-132.8159.1179.4-61.60000109.4L177 I310 A312 G348 N350L177-V322 HydrophobicContact CD2-CG1 4.14Å; I310-V322 HydrophobicContact CG2-CB 3.93Å; I310-V322 HydrophobicContact CG2-CG1 3.66Å; A312-V322 HydrophobicContact CB-CG1 4.43Å; V322-G348 PolarHBondContact N-O 3.12Å; V322-G348 PolarHBondContact O-N 3.13Å; V322-N350 HydrophobicContact CG1-CB 3.88Å; V322-N350 HydrophobicContact CG2-CB 4.07Å
323A91.1Very high75.1Confident21 Ų2145.3 Ų45.317%0.17431%0.312CS..PPolyproline II helixtrans-57130.8171.300000109.6A248 L252A248-A323 HydrophobicContact CB-CB 4.22Å; L252-A323 HydrophobicContact CD2-CB 4.41Å
324P85.3Confident72.9Confident18 Ų1849.4 Ų49.412%0.11733%0.334CS..PPolyproline II helixtrans-65.5149.5-179.328-33.2000110L346P324-L346 WeakPolarHBondContact CD-O 3.24Å; P324-L346 HydrophobicContact CG-CB 4.04Å
325P76.4Confident71.1Confident110 Ų11050.3 Ų50.371%0.71435%0.349SS*.PPolyproline II helixtrans-63.7146.6172.828.4-33.3000109.8
326P71.1Confident69.5Low43 Ų4355.5 Ų55.528%0.27937%0.372SS..PPolyproline II helixtrans-61.7144178.226-34.2000110.2
327P65.8Low68.7Low30 Ų3055.5 Ų55.520%0.19537%0.368CS..PPolyproline II helixtrans-61.2154.4-177.723.2-32000112.3S329 L334 R400P327-S329 VanDerWaalsContact C-N 3.31Å; P327-S329 PolarHBondContact O-N 3.09Å; P327-L334 HydrophobicContact CG-CD2 4.44Å; P327-R400 PolarHBondContact O-NH1 3.27Å
328P58.3Low67.6Low46 Ų4654.4 Ų54.430%0.29937%0.365SS..SBendtrans-66-27.5-176.222.7-30.6000114.1P483 F484P328-P483 HydrophobicContact CG-CB 4.38Å; P328-P483 WeakPolarHBondContact CG-O 3.25Å; P328-F484 HydrophobicContact CB-CD1 4Å; P328-F484 HydrophobicContact CB-CE1 3.97Å; P328-F484 HydrophobicContact CG-CD1 4.25Å; P328-F484 HydrophobicContact CG-CE1 4.4Å
329S54.9Low66.5Low67 Ų6756.2 Ų56.247%0.46938%0.384SS..SBendtrans-115.2132.1175.751.50000111.6P327 S331P327-S329 VanDerWaalsContact C-N 3.31Å; P327-S329 PolarHBondContact O-N 3.09Å; S329-S331 PolarHBondContact O-N 2.82Å
330P48.4Very low65.5Low127 Ų12758.3 Ų58.383%0.82541%0.406SS*.  trans-81.658.4167.935.7-33000109.2G332P330-G332 PolarHBondContact O-N 2.97Å; P330-G332 VanDerWaalsContact O-N 3.15Å
331S41.9Very low64.6Low93 Ų9359 Ų5965%0.6541%0.41SS*.  trans-73.4107.9167.8-68.70000107S329 A333S329-S331 PolarHBondContact O-N 2.82Å; S331-A333 PolarHBondContact O-N 3.46Å
332G39.8Very low63.9Low83 Ų8364.3 Ų64.386%0.85643%0.43SS*.SBendtrans-58.7104.2-173.200000112.7P330P330-G332 PolarHBondContact O-N 2.97Å; P330-G332 VanDerWaalsContact O-N 3.15Å
333A39.3Very low63.3Low74 Ų7464 Ų6461%0.61243%0.429SS*.  trans-169.436.9161.500000111.2S331 S335S331-A333 PolarHBondContact O-N 3.46Å; A333-S335 VanDerWaalsContact C-N 3.28Å; A333-S335 PolarHBondContact O-N 3.47Å; A333-S335 VanDerWaalsContact O-N 3.09Å
334L48.1Very low63.1Low87 Ų8766.3 Ų66.346%0.45544%0.436SS..THydrogen-bonded Turntrans-81.825.2-167.2-75.1176.1000116.5P327P327-L334 HydrophobicContact CG-CD2 4.44Å
335S54.6Low63.2Low98 Ų9865.5 Ų65.569%0.68543%0.431SS*.THydrogen-bonded Turntrans-106.5-36172.4-85.40000113.8A333A333-S335 VanDerWaalsContact C-N 3.28Å; A333-S335 PolarHBondContact O-N 3.47Å; A333-S335 VanDerWaalsContact O-N 3.09Å
336E54.4Low63.9Low143 Ų14360.4 Ų60.467%0.66840%0.398SS*.  trans-134.1108-177-67.1-171.3162.800110.3
337L67.4Low65Low17 Ų1758.5 Ų58.59%0.08939%0.385CS..BIsolated β-bridgetrans-77.5155.4168.8-69.8161.1000109F203 G339 G340 L341 A343 L346F203-L337 HydrophobicContact CD2-CD2 3.75Å; F203-L337 HydrophobicContact CE2-CD2 3.4Å; F203-L337 VanDerWaalsContact CE2-CD2 3.4Å; F203-L337 HydrophobicContact CG-CD2 4.45Å; F203-L337 HydrophobicContact CZ-CD2 3.82Å; L337-G339 PolarHBondContact O-N 3.22Å; L337-G340 PolarHBondContact O-N 3.38Å; L337-L341 HydrophobicContact CB-CB 3.81Å; L337-L341 WeakPolarHBondContact CB-O 3.22Å; L337-L341 PolarHBondContact N-O 3.3Å; L337-L341 PolarHBondContact O-N 3.21Å; L337-A343 HydrophobicContact CD1-CB 4.3Å; L337-L346 HydrophobicContact CD1-CD1 3.58Å; L337-L346 HydrophobicContact CD1-CD2 4.33Å; L337-L346 HydrophobicContact CD1-CG 4.14Å
338P63.3Low66.2Low57 Ų5757.5 Ų57.537%0.3738%0.38SS..THydrogen-bonded Turntrans-50.1139.1178.53.3-13000112.2T198T198-P338 WeakPolarHBondContact O-CG 3.43Å
339G62.3Low67.8Low50 Ų5056.5 Ų56.552%0.51537%0.373SS..THydrogen-bonded Turntrans81.917.2-176.200000115Q241 L337 L341Q241-G339 PolarHBondContact NE2-O 3.39Å; L337-G339 PolarHBondContact O-N 3.22Å; G339-L341 PolarHBondContact O-N 3.47Å
340G69.6Low69.6Low43 Ų4354.8 Ų54.844%0.44336%0.359SS..THydrogen-bonded Turntrans71.717.5179.600000113.5L337L337-G340 PolarHBondContact O-N 3.38Å
341L75.1Confident71.6Confident17 Ų1748.9 Ų48.99%0.08932%0.32CS..BIsolated β-bridgetrans-72.3137.6173.2-71.5176.4000109.1L193 L199 V208 V240 L337 G339L193-L341 HydrophobicContact CD1-CD1 4.24Å; L193-L341 HydrophobicContact CD2-CD1 3.83Å; L193-L341 HydrophobicContact CD2-CD2 4.44Å; L199-L341 HydrophobicContact CD1-CD1 4.27Å; V208-L341 HydrophobicContact CG1-CD2 4.35Å; V240-L341 HydrophobicContact CG1-CD2 3.67Å; L337-L341 HydrophobicContact CB-CB 3.81Å; L337-L341 WeakPolarHBondContact CB-O 3.22Å; L337-L341 PolarHBondContact N-O 3.3Å; L337-L341 PolarHBondContact O-N 3.21Å; G339-L341 PolarHBondContact O-N 3.47Å
342R80.5Confident73.8Confident111 Ų11144.8 Ų44.842%0.41929%0.292SS..  trans-100.3134.2174.5-67.5-174.4172.8-168.7-0.8109.7V240 E344 A345V240-R342 HydrophobicContact CG2-CB 4.5Å; R342-E344 PolarHBondContact O-N 3.09Å; R342-A345 WeakPolarHBondContact O-CB 3.48Å; R342-A345 PolarHBondContact O-N 3.35Å
343A81.6Confident76.2Confident10 Ų1045.5 Ų45.58%0.08327%0.269CS..G310 helixtrans-55.2-35.6177.100000111.7L337 A345 L346L337-A343 HydrophobicContact CD1-CB 4.3Å; A343-A345 PolarHBondContact O-N 3.05Å; A343-L346 VanDerWaalsContact O-CB 3.29Å; A343-L346 WeakPolarHBondContact O-CB 3.25Å; A343-L346 WeakPolarHBondContact O-CG 3.39Å; A343-L346 PolarHBondContact O-N 3.29Å; A343-L346 VanDerWaalsContact O-N 3.08Å
344E86.1Confident78.6Confident68 Ų6842.1 Ų42.132%0.31824%0.24SC..G310 helixtrans-64.1-19177.6-55.5-173.6159.700114.6S247 A248 T249 R253 R342S247-E344 CarbonylContact C-O 3.55Å; S247-E344 WeakPolarHBondContact CA-O 3.34Å; S247-E344 WeakPolarHBondContact CB-O 3.19Å; S247-E344 PolarHBondContact OG-O 3.45Å; A248-E344 PolarHBondContact N-O 2.74Å; T249-E344 HydrophobicContact CG2-CG 4.5Å; T249-E344 WeakPolarHBondContact OG1-CA 3.39Å; R253-E344 IonicContact NH2-OE1 3.6Å; R342-E344 PolarHBondContact O-N 3.09Å
345A89.3Confident80.6Confident1 Ų138.2 Ų38.21%0.00822%0.219CC..G310 helixtrans-87.8-6.6177.600000113V238 V240 H245 R342 A343 W347V238-A345 HydrophobicContact CG2-CB 3.72Å; V240-A345 HydrophobicContact CG2-CB 4.13Å; H245-A345 HydrophobicContact CB-CB 4.35Å; R342-A345 WeakPolarHBondContact O-CB 3.48Å; R342-A345 PolarHBondContact O-N 3.35Å; A343-A345 PolarHBondContact O-N 3.05Å; A345-W347 VanDerWaalsContact O-CD1 3.29Å
346L90.6Very high82.3Confident4 Ų436.3 Ų36.32%0.02120%0.2CC..EExtended strand (participates in β ladder)trans-78.6140.4-176.5-61.5-176.9000111.7L193 F203 C206 V208 A248 P324 L337 A343L193-L346 HydrophobicContact CD1-CD2 3.45Å; L193-L346 VanDerWaalsContact CD1-CD2 3.45Å; F203-L346 HydrophobicContact CD1-CD1 3.49Å; F203-L346 VanDerWaalsContact CD1-CD1 3.49Å; F203-L346 HydrophobicContact CE1-CD1 3.86Å; F203-L346 HydrophobicContact CG-CD1 4.3Å; C206-L346 HydrophobicContact CB-CB 4.4Å; C206-L346 HydrophobicContact CB-CD2 4.21Å; V208-L346 HydrophobicContact CG1-CD2 4.14Å; A248-L346 WeakPolarHBondContact CB-O 3.48Å; P324-L346 WeakPolarHBondContact CD-O 3.24Å; P324-L346 HydrophobicContact CG-CB 4.04Å; L337-L346 HydrophobicContact CD1-CD1 3.58Å; L337-L346 HydrophobicContact CD1-CD2 4.33Å; L337-L346 HydrophobicContact CD1-CG 4.14Å; A343-L346 VanDerWaalsContact O-CB 3.29Å; A343-L346 WeakPolarHBondContact O-CB 3.25Å; A343-L346 WeakPolarHBondContact O-CG 3.39Å; A343-L346 PolarHBondContact O-N 3.29Å; A343-L346 VanDerWaalsContact O-N 3.08Å
347W93Very high84Confident2 Ų234.8 Ų34.81%0.00819%0.191CC..EExtended strand (participates in β ladder)trans-124.8137.2174.3-69.983.8000110.5C206 F207 L246 A248 V251 V313 L321 A345C206-W347 CarbonylContact C-O 3.57Å; C206-W347 WeakPolarHBondContact CA-O 3.27Å; F207-W347 PolarHBondContact N-O 3.46Å; F207-W347 PolarHBondContact O-N 3.49Å; L246-W347 HydrophobicContact CB-CZ2 4.47Å; L246-W347 HydrophobicContact CD2-CH2 4.12Å; L246-W347 HydrophobicContact CD2-CZ2 3.47Å; L246-W347 VanDerWaalsContact CD2-CZ2 3.47Å; L246-W347 HydrophobicContact CG-CZ2 3.71Å; L246-W347 PolarHBondContact O-NE1 2.77Å; A248-W347 HydrophobicContact CB-CD2 3.9Å; A248-W347 HydrophobicContact CB-CE3 4.15Å; A248-W347 HydrophobicContact CB-CG 4.43Å; A248-W347 HydrophobicContact CB-CH2 4.19Å; A248-W347 HydrophobicContact CB-CZ2 3.88Å; A248-W347 HydrophobicContact CB-CZ3 4.32Å; V251-W347 HydrophobicContact CB-CH2 4Å; V251-W347 HydrophobicContact CB-CZ2 4.35Å; V251-W347 HydrophobicContact CG1-CH2 4.06Å; V251-W347 HydrophobicContact CG2-CH2 4.04Å; V251-W347 HydrophobicContact CG2-CZ2 4.03Å; V313-W347 HydrophobicContact CG2-CH2 3.74Å; V313-W347 HydrophobicContact CG2-CZ3 3.96Å; L321-W347 HydrophobicContact CB-CB 4.27Å; L321-W347 HydrophobicContact CB-CD2 4.07Å; L321-W347 HydrophobicContact CB-CE3 3.55Å; L321-W347 HydrophobicContact CB-CG 4.39Å; L321-W347 HydrophobicContact CB-CZ3 4.21Å; L321-W347 HydrophobicContact CD2-CB 3.86Å; A345-W347 VanDerWaalsContact O-CD1 3.29Å
348G91.8Very high85Confident9 Ų934 Ų349%0.09319%0.187CC..EExtended strand (participates in β ladder)trans-85.9151.416300000110.6L321 V322L321-G348 WeakPolarHBondContact CA-O 3.25Å; V322-G348 PolarHBondContact N-O 3.12Å; V322-G348 PolarHBondContact O-N 3.13Å
349V91.3Very high86.2Confident25 Ų2532.2 Ų32.215%0.15217%0.174CC..EExtended strand (participates in β ladder)trans-94.2132.7172.2175.20000109.6F207 V319 L321 T351 L456 L472F207-V349 HydrophobicContact CD1-CG2 4.33Å; F207-V349 HydrophobicContact CD2-CB 4.47Å; F207-V349 HydrophobicContact CD2-CG2 3.28Å; F207-V349 HydrophobicContact CE1-CG2 4.3Å; F207-V349 HydrophobicContact CE2-CB 4.27Å; F207-V349 HydrophobicContact CE2-CG2 3.27Å; F207-V349 HydrophobicContact CG-CG2 3.86Å; F207-V349 HydrophobicContact CZ-CG2 3.81Å; V319-V349 HydrophobicContact CG1-CG1 3.78Å; L321-V349 HydrophobicContact CD2-CG2 3.91Å; V349-T351 HydrophobicContact CG1-CG2 3.81Å; V349-L456 HydrophobicContact CB-CD1 4.37Å; V349-L456 HydrophobicContact CG1-CD1 4.27Å; V349-L472 HydrophobicContact CG1-CD2 3.9Å; V349-L472 HydrophobicContact CG1-CG 4.47Å
350N92.3Very high87.5Confident32 Ų3231 Ų3117%0.17116%0.162CC..EExtended strand (participates in β ladder)trans-108.9116.2171.3-169.7-70.1000109.9F320 V322 A352F320-N350 HydrophobicContact CB-CB 4.46Å; F320-N350 PolarHBondContact N-O 3.34Å; F320-N350 VanDerWaalsContact N-O 3.15Å; F320-N350 PolarHBondContact O-N 3.39Å; V322-N350 HydrophobicContact CG1-CB 3.88Å; V322-N350 HydrophobicContact CG2-CB 4.07Å; N350-A352 WeakPolarHBondContact OD1-CB 3.48Å; N350-A352 PolarHBondContact OD1-N 3.12Å
351T91Very high88.3Confident3 Ų332.2 Ų32.22%0.01815%0.153CC..  trans-108.824.8179.154.80000111.5V349 R353 Q354 E355 H453 V455 L456V349-T351 HydrophobicContact CG1-CG2 3.81Å; T351-R353 PolarHBondContact O-N 2.95Å; T351-R353 VanDerWaalsContact O-N 3.17Å; T351-Q354 VanDerWaalsContact C-OE1 3.27Å; T351-Q354 WeakPolarHBondContact O-CA 3.43Å; T351-Q354 VanDerWaalsContact O-CB 3.27Å; T351-Q354 WeakPolarHBondContact O-CB 3.39Å; T351-Q354 PolarHBondContact O-N 3.2Å; T351-Q354 PolarHBondContact O-OE1 2.95Å; T351-E355 WeakPolarHBondContact O-CG 3.32Å; T351-E355 PolarHBondContact O-N 3.35Å; T351-E355 PolarHBondContact OG1-OE1 3.44Å; T351-H453 PolarHBondContact OG1-CE1 3.47Å; T351-H453 PolarHBondContact OG1-NE2 3.39Å; T351-V455 HydrophobicContact CG2-CB 4.36Å; T351-V455 HydrophobicContact CG2-CG1 4.22Å; T351-L456 HydrophobicContact CG2-CD1 4.49Å; T351-L456 HydrophobicContact CG2-CG 4.41Å
352A88.6Confident88.8Confident6 Ų631.5 Ų31.55%0.0515%0.149CC..Hα-helixtrans-60.6-32.8-172.400000113.1V159 N350 E355 Q356V159-A352 HydrophobicContact CB-CB 3.96Å; V159-A352 HydrophobicContact CG1-CB 3.51Å; N350-A352 WeakPolarHBondContact OD1-CB 3.48Å; N350-A352 PolarHBondContact OD1-N 3.12Å; A352-E355 PolarHBondContact O-N 2.97Å; A352-Q356 WeakPolarHBondContact O-CB 3.46Å; A352-Q356 WeakPolarHBondContact O-CG 3.46Å; A352-Q356 PolarHBondContact O-N 2.72Å
353R89.8Confident89.1Confident99 Ų9931 Ų3137%0.37415%0.151SC..Hα-helixtrans-65.6-40.9174-78.9-165.1170.7-148.6-1.9111.8I157 T351 E355 Q356 K357I157-R353 HydrophobicContact CG2-CG 4.24Å; T351-R353 PolarHBondContact O-N 2.95Å; T351-R353 VanDerWaalsContact O-N 3.17Å; R353-E355 VanDerWaalsContact C-N 3.35Å; R353-Q356 PolarHBondContact O-N 3.37Å; R353-K357 WeakPolarHBondContact O-CG 3.46Å; R353-K357 PolarHBondContact O-N 3.46Å
354Q89.8Confident89.3Confident2 Ų238.3 Ų38.31%0.00918%0.184CC..Hα-helixtrans-63-45.6177.7-74.776.618.800110.1D317 G318 V319 T351 Q356 K357 L358 V455 V465 L468D317-Q354 PolarHBondContact O-NE2 3.39Å; G318-Q354 PolarHBondContact O-NE2 2.83Å; G318-Q354 PolarHBondContact O-OE1 3.43Å; V319-Q354 VanDerWaalsContact CG2-NE2 3.28Å; T351-Q354 VanDerWaalsContact C-OE1 3.27Å; T351-Q354 WeakPolarHBondContact O-CA 3.43Å; T351-Q354 VanDerWaalsContact O-CB 3.27Å; T351-Q354 WeakPolarHBondContact O-CB 3.39Å; T351-Q354 PolarHBondContact O-N 3.2Å; T351-Q354 PolarHBondContact O-OE1 2.95Å; Q354-Q356 PolarHBondContact O-N 2.99Å; Q354-K357 WeakPolarHBondContact O-CB 3.43Å; Q354-K357 PolarHBondContact O-N 3.42Å; Q354-L358 PolarHBondContact O-N 3.07Å; Q354-V455 HydrophobicContact CB-CG1 4.33Å; Q354-V455 HydrophobicContact CB-CG2 3.9Å; Q354-V455 HydrophobicContact CG-CG1 4.49Å; Q354-V465 VanDerWaalsContact C-CG1 3.5Å; Q354-V465 HydrophobicContact CB-CG1 3.24Å; Q354-V465 HydrophobicContact CG-CG1 3.53Å; Q354-V465 WeakPolarHBondContact O-CG1 3.41Å; Q354-L468 HydrophobicContact CG-CD2 3.99Å
355E89.8Confident89.2Confident5 Ų541.9 Ų41.92%0.02319%0.194CC..Hα-helixtrans-67.6-35.3176.8-65.4172.5176.400113.4T351 A352 R353 K357 L358 L359 Y405 K408 H453 V455T351-E355 WeakPolarHBondContact O-CG 3.32Å; T351-E355 PolarHBondContact O-N 3.35Å; T351-E355 PolarHBondContact OG1-OE1 3.44Å; A352-E355 PolarHBondContact O-N 2.97Å; R353-E355 VanDerWaalsContact C-N 3.35Å; E355-K357 VanDerWaalsContact C-N 3.35Å; E355-L358 WeakPolarHBondContact O-CB 3.31Å; E355-L358 PolarHBondContact O-N 3.16Å; E355-L359 WeakPolarHBondContact O-CB 3.43Å; E355-L359 WeakPolarHBondContact O-CG 3.29Å; E355-L359 PolarHBondContact O-N 3.08Å; E355-Y405 WeakPolarHBondContact OE1-CE2 3.45Å; E355-Y405 VanDerWaalsContact OE1-CZ 3.23Å; E355-Y405 PolarHBondContact OE1-OH 3.35Å; E355-Y405 WeakPolarHBondContact OE2-CE2 3.3Å; E355-K408 WeakPolarHBondContact OE2-CE 3.3Å; E355-K408 IonicContact OE2-NZ 2.72Å; E355-K408 PolarHBondContact OE2-NZ 2.88Å; E355-H453 IonicContact OE1-CE1 3.59Å; E355-H453 PolarHBondContact OE1-CE1 3.03Å; E355-H453 IonicContact OE1-NE2 3Å; E355-V455 HydrophobicContact CG-CG2 4.29Å
356Q90.8Very high89Confident59 Ų5942.8 Ų42.828%0.27620%0.202SC..Hα-helixtrans-64.1-40.5173.5-78.7171.8-4.100111.6Q158 E164 A352 R353 Q354 L359 G360Q158-Q356 PolarHBondContact O-NE2 3.33Å; E164-Q356 HydrophobicContact CG-CG 3.98Å; A352-Q356 WeakPolarHBondContact O-CB 3.46Å; A352-Q356 WeakPolarHBondContact O-CG 3.46Å; A352-Q356 PolarHBondContact O-N 2.72Å; R353-Q356 PolarHBondContact O-N 3.37Å; Q354-Q356 PolarHBondContact O-N 2.99Å; Q356-L359 PolarHBondContact O-N 3.34Å; Q356-G360 PolarHBondContact O-N 3.05Å
357K89.8Confident88.6Confident111 Ų11144.9 Ų44.948%0.48322%0.216SC..Hα-helixtrans-62.5-44.5172.3-71.6178.1179.5-175.50111.3R353 Q354 E355 L359 G360 W361 V465R353-K357 WeakPolarHBondContact O-CG 3.46Å; R353-K357 PolarHBondContact O-N 3.46Å; Q354-K357 WeakPolarHBondContact O-CB 3.43Å; Q354-K357 PolarHBondContact O-N 3.42Å; E355-K357 VanDerWaalsContact C-N 3.35Å; K357-L359 PolarHBondContact O-N 2.81Å; K357-G360 PolarHBondContact O-N 3.09Å; K357-W361 WeakPolarHBondContact O-CB 3.26Å; K357-W361 PolarHBondContact O-N 3.08Å; K357-V465 HydrophobicContact CB-CG1 4.37Å; K357-V465 HydrophobicContact CD-CG1 4.38Å; K357-V465 WeakPolarHBondContact CD-O 3.4Å; K357-V465 PolarHBondContact NZ-O 3.06Å
358L88.6Confident88Confident0 Ų051.2 Ų51.20%026%0.257CS..Hα-helixtrans-58.6-47.8176.1-175.258.9000111Q354 E355 G360 W361 L362 L412 L416 C454 A461 E464 V465Q354-L358 PolarHBondContact O-N 3.07Å; E355-L358 WeakPolarHBondContact O-CB 3.31Å; E355-L358 PolarHBondContact O-N 3.16Å; L358-G360 VanDerWaalsContact C-N 3.32Å; L358-G360 PolarHBondContact O-N 3.16Å; L358-W361 HydrophobicContact CD1-CE3 4.31Å; L358-W361 PolarHBondContact O-N 3.33Å; L358-L362 HydrophobicContact CG-CD1 4.32Å; L358-L362 WeakPolarHBondContact O-CG 3.41Å; L358-L362 PolarHBondContact O-N 3.31Å; L358-L412 HydrophobicContact CD2-CD1 4.2Å; L358-L412 HydrophobicContact CD2-CD2 4.19Å; L358-L412 HydrophobicContact CG-CD2 4.33Å; L358-L416 HydrophobicContact CD1-CD2 4.44Å; L358-L416 HydrophobicContact CD2-CD1 4.45Å; L358-C454 HydrophobicContact CD2-CB 4.02Å; L358-A461 HydrophobicContact CD1-CB 4.13Å; L358-A461 HydrophobicContact CD2-CB 4.26Å; L358-E464 HydrophobicContact CD1-CB 4.07Å; L358-V465 HydrophobicContact CB-CG2 3.76Å; L358-V465 HydrophobicContact CD1-CG2 4.2Å; L358-V465 HydrophobicContact CG-CG2 4.44Å
359L88.7Confident87.5Confident19 Ų1953 Ų5310%0.09928%0.276CS..Hα-helixtrans-60.6-39.1175.5-75.2170.7000112.9E164 E355 Q356 K357 L362 Q363 K408 L412E164-L359 HydrophobicContact CB-CD1 4.02Å; E164-L359 HydrophobicContact CG-CD1 3.97Å; E355-L359 WeakPolarHBondContact O-CB 3.43Å; E355-L359 WeakPolarHBondContact O-CG 3.29Å; E355-L359 PolarHBondContact O-N 3.08Å; Q356-L359 PolarHBondContact O-N 3.34Å; K357-L359 PolarHBondContact O-N 2.81Å; L359-L362 HydrophobicContact CD2-CD1 4.44Å; L359-L362 PolarHBondContact O-N 3.28Å; L359-Q363 WeakPolarHBondContact O-CB 3.4Å; L359-Q363 PolarHBondContact O-N 2.88Å; L359-K408 HydrophobicContact CD1-CD 4.26Å; L359-L412 HydrophobicContact CD2-CD2 3.77Å; L359-L412 HydrophobicContact CG-CD2 4.37Å
360G88.8Confident87.4Confident25 Ų2552.9 Ų52.926%0.25828%0.278SS..Hα-helixtrans-62.7-49174.500000111.9Q356 K357 L358 L362 Q363 E364Q356-G360 PolarHBondContact O-N 3.05Å; K357-G360 PolarHBondContact O-N 3.09Å; L358-G360 VanDerWaalsContact C-N 3.32Å; L358-G360 PolarHBondContact O-N 3.16Å; G360-L362 VanDerWaalsContact C-N 3.27Å; G360-L362 PolarHBondContact O-N 3.03Å; G360-Q363 WeakPolarHBondContact O-CB 3.26Å; G360-Q363 PolarHBondContact O-N 3.27Å; G360-Q363 VanDerWaalsContact O-N 3.07Å; G360-E364 WeakPolarHBondContact O-CG 3.47Å; G360-E364 PolarHBondContact O-N 3.22Å
361W87.4Confident87.3Confident68 Ų6851.4 Ų51.426%0.25827%0.27SS..Hα-helixtrans-57.4-40.1175.3177.689.5000112.3K357 L358 E364 R365 L416 E464K357-W361 WeakPolarHBondContact O-CB 3.26Å; K357-W361 PolarHBondContact O-N 3.08Å; L358-W361 HydrophobicContact CD1-CE3 4.31Å; L358-W361 PolarHBondContact O-N 3.33Å; W361-E364 PolarHBondContact O-N 3.39Å; W361-R365 WeakPolarHBondContact O-CG 3.48Å; W361-R365 PolarHBondContact O-N 2.93Å; W361-L416 HydrophobicContact CZ3-CD2 4.41Å; W361-E464 HydrophobicContact CD2-CB 4.3Å; W361-E464 HydrophobicContact CD2-CG 4.05Å; W361-E464 HydrophobicContact CE3-CG 4.3Å; W361-E464 HydrophobicContact CG-CB 4.4Å; W361-E464 HydrophobicContact CH2-CG 4.25Å; W361-E464 HydrophobicContact CZ2-CG 3.97Å; W361-E464 HydrophobicContact CZ3-CG 4.4Å
362L85Confident87.4Confident3 Ų352 Ų522%0.01627%0.272CS..Hα-helixtrans-64.9-43.1175-68170.8000111.9L358 L359 G360 E364 R365 A366 L412 F415L358-L362 HydrophobicContact CG-CD1 4.32Å; L358-L362 WeakPolarHBondContact O-CG 3.41Å; L358-L362 PolarHBondContact O-N 3.31Å; L359-L362 HydrophobicContact CD2-CD1 4.44Å; L359-L362 PolarHBondContact O-N 3.28Å; G360-L362 VanDerWaalsContact C-N 3.27Å; G360-L362 PolarHBondContact O-N 3.03Å; L362-E364 VanDerWaalsContact C-N 3.34Å; L362-R365 PolarHBondContact O-N 2.8Å; L362-A366 WeakPolarHBondContact O-CB 3.22Å; L362-A366 PolarHBondContact O-N 3.25Å; L362-L412 HydrophobicContact CD1-CD2 3.15Å; L362-F415 HydrophobicContact CB-CZ 4.46Å; L362-F415 HydrophobicContact CD2-CD1 3.14Å; L362-F415 HydrophobicContact CD2-CE1 3.04Å; L362-F415 HydrophobicContact CD2-CE2 4.46Å; L362-F415 HydrophobicContact CD2-CG 3.9Å; L362-F415 HydrophobicContact CD2-CZ 3.72Å; L362-F415 HydrophobicContact CG-CD1 4.49Å; L362-F415 HydrophobicContact CG-CE1 4.33Å
363Q86.5Confident87.5Confident99 Ų9953.2 Ų53.246%0.46328%0.277SS..Hα-helixtrans-65-38.1179.2-176.2176-0.700112L359 G360 R365 A366 Y372L359-Q363 WeakPolarHBondContact O-CB 3.4Å; L359-Q363 PolarHBondContact O-N 2.88Å; G360-Q363 WeakPolarHBondContact O-CB 3.26Å; G360-Q363 PolarHBondContact O-N 3.27Å; G360-Q363 VanDerWaalsContact O-N 3.07Å; Q363-R365 VanDerWaalsContact C-N 3.26Å; Q363-R365 PolarHBondContact O-N 3.44Å; Q363-A366 PolarHBondContact O-N 3.18Å; Q363-Y372 WeakPolarHBondContact CA-OH 3.4Å; Q363-Y372 WeakPolarHBondContact CB-OH 3.37Å
364E87.3Confident87.7Confident164 Ų16449.4 Ų49.477%0.76626%0.263SS*.Hα-helixtrans-65-30177.1-73.6172.4-174.900112.8G360 W361 L362G360-E364 WeakPolarHBondContact O-CG 3.47Å; G360-E364 PolarHBondContact O-N 3.22Å; W361-E364 PolarHBondContact O-N 3.39Å; L362-E364 VanDerWaalsContact C-N 3.34Å
365R83.4Confident88Confident143 Ų14349.3 Ų49.354%0.5426%0.263SS..Hα-helixtrans-92.5-18.8179.9-65.8174.470.491.7-3.8113.3W361 L362 Q363 P421W361-R365 WeakPolarHBondContact O-CG 3.48Å; W361-R365 PolarHBondContact O-N 2.93Å; L362-R365 PolarHBondContact O-N 2.8Å; Q363-R365 VanDerWaalsContact C-N 3.26Å; Q363-R365 PolarHBondContact O-N 3.44Å; R365-P421 VanDerWaalsContact C-CG 3.44Å; R365-P421 HydrophobicContact CB-CG 4.09Å; R365-P421 WeakPolarHBondContact O-CG 3.36Å
366A84.1Confident88.3Confident20 Ų2049.1 Ų49.117%0.16526%0.262CS..SBendtrans-66.6137.3-176.200000111.8L362 Q363 A370 Y372 P421L362-A366 WeakPolarHBondContact O-CB 3.22Å; L362-A366 PolarHBondContact O-N 3.25Å; Q363-A366 PolarHBondContact O-N 3.18Å; A366-A370 HydrophobicContact CB-CB 3.95Å; A366-Y372 HydrophobicContact CB-CD1 4.42Å; A366-Y372 HydrophobicContact CB-CE1 3.71Å; A366-P421 VanDerWaalsContact CA-CG 3.47Å; A366-P421 HydrophobicContact CB-CB 4.36Å; A366-P421 HydrophobicContact CB-CG 4.32Å
367P82.6Confident88.5Confident48 Ų4847 Ų4731%0.31225%0.252SS..PPolyproline II helixtrans-63.2151.9173.527.1-32.7000110.1G369 A370P367-G369 PolarHBondContact O-N 3.1Å; P367-A370 HydrophobicContact CG-CB 4.1Å; P367-A370 VanDerWaalsContact O-CB 3.32Å; P367-A370 WeakPolarHBondContact O-CB 3.38Å; P367-A370 PolarHBondContact O-N 2.81Å
368P80.5Confident88.8Confident135 Ų13541.8 Ų41.888%0.87723%0.23SC*.THydrogen-bonded Turntrans-58.4129.4173.726-33.5000109.4
369G81.7Confident89.2Confident47 Ų4741.9 Ų41.949%0.48523%0.23SC..THydrogen-bonded Turntrans88.26.6-175.800000115.1P367 C371 E427P367-G369 PolarHBondContact O-N 3.1Å; G369-C371 PolarHBondContact O-N 2.96Å; G369-E427 WeakPolarHBondContact O-CG 3.45Å
370A88.9Confident89.6Confident23 Ų2341.1 Ų41.119%0.1923%0.226CC..  trans-58.9132.6177.100000112.6A366 P367 Y372 W425A366-A370 HydrophobicContact CB-CB 3.95Å; P367-A370 HydrophobicContact CG-CB 4.1Å; P367-A370 VanDerWaalsContact O-CB 3.32Å; P367-A370 WeakPolarHBondContact O-CB 3.38Å; P367-A370 PolarHBondContact O-N 2.81Å; A370-Y372 HydrophobicContact CB-CD1 3.63Å; A370-Y372 HydrophobicContact CB-CE1 3.85Å; A370-W425 CarbonylContact C-O 3.55Å; A370-W425 VanDerWaalsContact CA-O 3.26Å; A370-W425 WeakPolarHBondContact CA-O 3.43Å
371C91.6Very high89.9Confident1 Ų140 Ų401%0.00721%0.214CC..  trans-93.68.2-169.876.70000114G369 L373 K374 C375 W425 D426 E427 L430 C433G369-C371 PolarHBondContact O-N 2.96Å; C371-L373 PolarHBondContact O-N 3.47Å; C371-K374 CarbonylContact O-C 3.49Å; C371-K374 WeakPolarHBondContact O-CA 3.47Å; C371-K374 WeakPolarHBondContact O-CB 3.29Å; C371-K374 PolarHBondContact O-N 2.99Å; C371-K374 VanDerWaalsContact O-N 3.11Å; C371-C375 PolarHBondContact O-N 2.99Å; C371-C375 PolarHBondContact O-SG 3.02Å; C371-W425 PolarHBondContact N-O 3.42Å; C371-W425 PolarHBondContact SG-O 3.24Å; C371-D426 PolarHBondContact SG-O 3.22Å; C371-D426 VanDerWaalsContact SG-O 3.33Å; C371-E427 HydrophobicContact CB-CG 4.27Å; C371-L430 HydrophobicContact CB-CD1 4Å; C371-C433 VanDerWaalsContact SG-SG 3.69Å
372Y91.2Very high90.2Very high15 Ų1536.9 Ų36.96%0.05920%0.203CC..Hα-helixtrans-59.4-42.2-174.367.4-82.8000113.8Q363 A366 A370 C375 L376 L411Q363-Y372 WeakPolarHBondContact CA-OH 3.4Å; Q363-Y372 WeakPolarHBondContact CB-OH 3.37Å; A366-Y372 HydrophobicContact CB-CD1 4.42Å; A366-Y372 HydrophobicContact CB-CE1 3.71Å; A370-Y372 HydrophobicContact CB-CD1 3.63Å; A370-Y372 HydrophobicContact CB-CE1 3.85Å; Y372-C375 WeakPolarHBondContact O-CB 3.3Å; Y372-C375 PolarHBondContact O-N 2.98Å; Y372-L376 PolarHBondContact O-N 3.41Å; Y372-L411 HydrophobicContact CD2-CD2 4.24Å
373L92.1Very high90.7Very high32 Ų3238.5 Ų38.517%0.16821%0.208CC..Hα-helixtrans-67.2-40.5174.6-69.5178.4000111.7Q165 C371 C375 L376 Q377Q165-L373 HydrophobicContact CB-CD1 4.41Å; C371-L373 PolarHBondContact O-N 3.47Å; L373-C375 VanDerWaalsContact C-N 3.32Å; L373-C375 PolarHBondContact O-N 3.47Å; L373-L376 PolarHBondContact O-N 2.84Å; L373-Q377 WeakPolarHBondContact O-CG 3.41Å; L373-Q377 PolarHBondContact O-N 3.24Å; L373-Q377 PolarHBondContact O-OE1 3.34Å
374K94.1Very high91Very high18 Ų1835.4 Ų35.48%0.07820%0.195CC..Hα-helixtrans-60.7-42.9175.9-167.5177.9-169.7176.80110.4Y105 C371 Q377 L378 E427 L430Y105-K374 HydrophobicContact CD1-CD 4.34Å; Y105-K374 HydrophobicContact CD1-CG 4.16Å; Y105-K374 HydrophobicContact CD2-CG 3.82Å; Y105-K374 HydrophobicContact CE1-CD 4.34Å; Y105-K374 HydrophobicContact CE1-CG 4.07Å; Y105-K374 HydrophobicContact CE2-CB 4.43Å; Y105-K374 HydrophobicContact CE2-CG 3.74Å; Y105-K374 HydrophobicContact CG-CG 4.03Å; C371-K374 CarbonylContact O-C 3.49Å; C371-K374 WeakPolarHBondContact O-CA 3.47Å; C371-K374 WeakPolarHBondContact O-CB 3.29Å; C371-K374 PolarHBondContact O-N 2.99Å; C371-K374 VanDerWaalsContact O-N 3.11Å; K374-Q377 PolarHBondContact O-N 3.41Å; K374-L378 HydrophobicContact CG-CD1 4.34Å; K374-L378 WeakPolarHBondContact O-CB 3.43Å; K374-L378 WeakPolarHBondContact O-CG 3.28Å; K374-L378 PolarHBondContact O-N 3.19Å; K374-E427 IonicContact NZ-OE1 3.65Å; K374-E427 PolarHBondContact NZ-OE1 2.89Å; K374-L430 HydrophobicContact CB-CD1 4.34Å; K374-L430 HydrophobicContact CD-CD1 4.06Å; K374-L430 HydrophobicContact CD-CD2 4.02Å; K374-L430 HydrophobicContact CG-CD1 4.1Å
375C94.9Very high91.2Very high0 Ų028.1 Ų28.10%016%0.161CC..Hα-helixtrans-59.2-47.5173-71.30000112.1C371 Y372 L373 Q377 L378 L379 W425 C433 L437C371-C375 PolarHBondContact O-N 2.99Å; C371-C375 PolarHBondContact O-SG 3.02Å; Y372-C375 WeakPolarHBondContact O-CB 3.3Å; Y372-C375 PolarHBondContact O-N 2.98Å; L373-C375 VanDerWaalsContact C-N 3.32Å; L373-C375 PolarHBondContact O-N 3.47Å; C375-Q377 VanDerWaalsContact C-N 3.35Å; C375-Q377 PolarHBondContact O-N 2.85Å; C375-L378 PolarHBondContact O-N 3.23Å; C375-L379 VanDerWaalsContact O-CB 3.3Å; C375-L379 WeakPolarHBondContact O-CB 3.48Å; C375-L379 PolarHBondContact O-N 3.44Å; C375-W425 HydrophobicContact CB-CZ3 4.35Å; C375-C433 VanDerWaalsContact SG-CB 3.53Å; C375-L437 HydrophobicContact CB-CD1 3.71Å
376L95.6Very high91.6Very high1 Ų121.4 Ų21.41%0.00514%0.136CC..Hα-helixtrans-62.8-41.5178.3179.357.5000112.3H166 Y372 L373 L379 K380 L407 K408 L411H166-L376 HydrophobicContact CB-CD2 3.65Å; H166-L376 HydrophobicContact CB-CG 4.15Å; Y372-L376 PolarHBondContact O-N 3.41Å; L373-L376 PolarHBondContact O-N 2.84Å; L376-L379 PolarHBondContact O-N 2.93Å; L376-K380 HydrophobicContact CG-CD 4.48Å; L376-K380 VanDerWaalsContact O-CG 3.32Å; L376-K380 WeakPolarHBondContact O-CG 3.19Å; L376-K380 PolarHBondContact O-N 3.41Å; L376-L407 HydrophobicContact CD1-CB 3.97Å; L376-K408 HydrophobicContact CD2-CB 4.37Å; L376-K408 HydrophobicContact CD2-CG 4.43Å; L376-L411 HydrophobicContact CB-CD2 4.05Å; L376-L411 HydrophobicContact CD2-CD2 4.04Å
377Q96.4Very high91.9Very high14 Ų1421.9 Ų21.97%0.06514%0.141CC..Hα-helixtrans-65.1-43.7176.5-73.4170.8-44.700111.6Y105 V109 Q165 H166 K167 I168 L373 K374 C375 K380 A381Y105-Q377 HydrophobicContact CE2-CB 4.1Å; Y105-Q377 VanDerWaalsContact CE2-OE1 3.3Å; Y105-Q377 PolarHBondContact OH-OE1 2.74Å; V109-Q377 HydrophobicContact CG1-CB 3.83Å; Q165-Q377 PolarHBondContact O-NE2 3.22Å; H166-Q377 HydrophobicContact CB-CG 4.27Å; K167-Q377 PolarHBondContact O-NE2 2.94Å; I168-Q377 HydrophobicContact CG2-CB 3.64Å; I168-Q377 HydrophobicContact CG2-CG 3.78Å; L373-Q377 WeakPolarHBondContact O-CG 3.41Å; L373-Q377 PolarHBondContact O-N 3.24Å; L373-Q377 PolarHBondContact O-OE1 3.34Å; K374-Q377 PolarHBondContact O-N 3.41Å; C375-Q377 VanDerWaalsContact C-N 3.35Å; C375-Q377 PolarHBondContact O-N 2.85Å; Q377-K380 PolarHBondContact O-N 3.17Å; Q377-A381 PolarHBondContact O-N 3.34Å
378L96.3Very high92.2Very high2 Ų225 Ų251%0.0115%0.146CC..Hα-helixtrans-62.1-44.9173.5-78.2166.6000111.4L101 Y104 Y105 V109 K374 C375 K380 A381 L382 L430 L434L101-L378 HydrophobicContact CD2-CD1 4.34Å; L101-L378 HydrophobicContact CD2-CD2 4.17Å; Y104-L378 HydrophobicContact CD1-CD2 4.02Å; Y105-L378 HydrophobicContact CD2-CD2 4.44Å; Y105-L378 HydrophobicContact CD2-CG 4.2Å; V109-L378 HydrophobicContact CG2-CD2 4.32Å; K374-L378 HydrophobicContact CG-CD1 4.34Å; K374-L378 WeakPolarHBondContact O-CB 3.43Å; K374-L378 WeakPolarHBondContact O-CG 3.28Å; K374-L378 PolarHBondContact O-N 3.19Å; C375-L378 PolarHBondContact O-N 3.23Å; L378-K380 VanDerWaalsContact C-N 3.3Å; L378-K380 PolarHBondContact O-N 3.34Å; L378-A381 CarbonylContact O-C 3.49Å; L378-A381 WeakPolarHBondContact O-CA 3.29Å; L378-A381 WeakPolarHBondContact O-CB 3.24Å; L378-A381 PolarHBondContact O-N 3.29Å; L378-L382 WeakPolarHBondContact O-CG 3.41Å; L378-L382 PolarHBondContact O-N 3.41Å; L378-L430 HydrophobicContact CD1-CD1 4Å; L378-L430 HydrophobicContact CD1-CD2 4Å; L378-L430 HydrophobicContact CD1-CG 4.24Å; L378-L434 HydrophobicContact CB-CD1 4.29Å; L378-L434 HydrophobicContact CB-CD2 4.16Å; L378-L434 HydrophobicContact CD1-CD2 4.5Å
379L96.8Very high92.5Very high2 Ų222.7 Ų22.71%0.0115%0.147CC..Hα-helixtrans-59.6-40177.4-172.861000111.9C375 L376 L382 R383 L407 L434 L437 V438C375-L379 VanDerWaalsContact O-CB 3.3Å; C375-L379 WeakPolarHBondContact O-CB 3.48Å; C375-L379 PolarHBondContact O-N 3.44Å; L376-L379 PolarHBondContact O-N 2.93Å; L379-L382 HydrophobicContact CD1-CD1 4.48Å; L379-L382 WeakPolarHBondContact O-CB 3.38Å; L379-L382 PolarHBondContact O-N 3.09Å; L379-R383 PolarHBondContact O-N 3.33Å; L379-L407 HydrophobicContact CD2-CB 4.21Å; L379-L407 HydrophobicContact CD2-CD2 3.87Å; L379-L407 HydrophobicContact CD2-CG 4.46Å; L379-L407 HydrophobicContact CG-CD1 4.23Å; L379-L407 HydrophobicContact CG-CD2 3.96Å; L379-L407 HydrophobicContact CG-CG 4.49Å; L379-L434 HydrophobicContact CB-CD1 4.08Å; L379-L437 HydrophobicContact CD2-CB 4.29Å; L379-V438 HydrophobicContact CD1-CG2 3.93Å
380K96.6Very high92.9Very high4 Ų422.5 Ų22.52%0.01713%0.134CC..Hα-helixtrans-63.9-39.8171.1-71.9171.264.3165.40112.1S161 H166 I168 L376 Q377 L378 L382 R383 D384 S404 L407S161-K380 VanDerWaalsContact CB-NZ 3.26Å; S161-K380 PolarHBondContact OG-NZ 2.73Å; H166-K380 PolarHBondContact CD2-NZ 3.33Å; H166-K380 VanDerWaalsContact CD2-NZ 3.35Å; H166-K380 WeakPolarHBondContact O-CE 3.33Å; H166-K380 PolarHBondContact O-NZ 2.84Å; I168-K380 HydrophobicContact CD1-CB 3.79Å; I168-K380 HydrophobicContact CG2-CB 4.39Å; L376-K380 HydrophobicContact CG-CD 4.48Å; L376-K380 VanDerWaalsContact O-CG 3.32Å; L376-K380 WeakPolarHBondContact O-CG 3.19Å; L376-K380 PolarHBondContact O-N 3.41Å; Q377-K380 PolarHBondContact O-N 3.17Å; L378-K380 VanDerWaalsContact C-N 3.3Å; L378-K380 PolarHBondContact O-N 3.34Å; K380-L382 VanDerWaalsContact C-N 3.35Å; K380-R383 WeakPolarHBondContact O-CB 3.33Å; K380-R383 PolarHBondContact O-N 2.96Å; K380-D384 PolarHBondContact O-N 3.37Å; K380-S404 VanDerWaalsContact CE-OG 3.25Å; K380-S404 WeakPolarHBondContact CE-OG 3.43Å; K380-L407 HydrophobicContact CB-CD1 4.41Å; K380-L407 HydrophobicContact CG-CD1 3.73Å
381A94.9Very high93.1Very high0 Ų025.2 Ų25.20%015%0.146CC..Hα-helixtrans-67.5-35.4176.300000112.1Y104 V109 I168 Q377 L378 D384 L385Y104-A381 HydrophobicContact CE1-CB 3.8Å; V109-A381 HydrophobicContact CG1-CB 4.25Å; V109-A381 HydrophobicContact CG2-CB 3.59Å; I168-A381 HydrophobicContact CD1-CB 4.29Å; Q377-A381 PolarHBondContact O-N 3.34Å; L378-A381 CarbonylContact O-C 3.49Å; L378-A381 WeakPolarHBondContact O-CA 3.29Å; L378-A381 WeakPolarHBondContact O-CB 3.24Å; L378-A381 PolarHBondContact O-N 3.29Å; A381-D384 PolarHBondContact O-N 2.89Å; A381-L385 WeakPolarHBondContact O-CG 3.4Å; A381-L385 PolarHBondContact O-N 2.84Å
382L94.4Very high93Very high4 Ų430.2 Ų30.22%0.02118%0.178CC..Hα-helixtrans-63.5-45.8172.7-67.2-176.1000111.6L378 L379 K380 D384 L385 G386 L434 V438 I499 W500 L503L378-L382 WeakPolarHBondContact O-CG 3.41Å; L378-L382 PolarHBondContact O-N 3.41Å; L379-L382 HydrophobicContact CD1-CD1 4.48Å; L379-L382 WeakPolarHBondContact O-CB 3.38Å; L379-L382 PolarHBondContact O-N 3.09Å; K380-L382 VanDerWaalsContact C-N 3.35Å; L382-D384 VanDerWaalsContact C-N 3.27Å; L382-D384 PolarHBondContact O-N 2.94Å; L382-L385 HydrophobicContact CD2-CD1 4.41Å; L382-L385 WeakPolarHBondContact O-CB 3.25Å; L382-L385 PolarHBondContact O-N 3.35Å; L382-G386 PolarHBondContact O-N 3.38Å; L382-L434 HydrophobicContact CD1-CD1 4.47Å; L382-L434 HydrophobicContact CD1-CD2 4.13Å; L382-L434 HydrophobicContact CD1-CG 4.46Å; L382-V438 HydrophobicContact CD1-CG2 4.48Å; L382-I499 HydrophobicContact CD2-CG2 4.48Å; L382-W500 HydrophobicContact CD1-CE3 4.06Å; L382-W500 HydrophobicContact CD1-CZ3 4.04Å; L382-L503 HydrophobicContact CD2-CD1 3.29Å; L382-L503 HydrophobicContact CD2-CD2 4.29Å; L382-L503 HydrophobicContact CD2-CG 4.43Å
383R95.1Very high92.9Very high36 Ų3634.7 Ų34.714%0.13621%0.207CC..Hα-helixtrans-54.4-46.8171.7173.8-155.669.7-177.11.2111L379 K380 L385 G386 A387 W398 L402 S404 L407L379-R383 PolarHBondContact O-N 3.33Å; K380-R383 WeakPolarHBondContact O-CB 3.33Å; K380-R383 PolarHBondContact O-N 2.96Å; R383-L385 VanDerWaalsContact C-N 3.33Å; R383-L385 PolarHBondContact O-N 2.84Å; R383-G386 CarbonylContact O-C 3.54Å; R383-G386 WeakPolarHBondContact O-CA 3.36Å; R383-G386 PolarHBondContact O-N 3.5Å; R383-G386 VanDerWaalsContact O-N 3.12Å; R383-A387 PolarHBondContact O-N 3.4Å; R383-W398 PolarHBondContact O-NE1 3.37Å; R383-L402 WeakPolarHBondContact CD-O 3.17Å; R383-L402 HydrophobicContact CG-CB 3.79Å; R383-L402 HydrophobicContact CG-CD1 4.33Å; R383-L402 PolarHBondContact NH1-O 3.38Å; R383-S404 PolarHBondContact NH1-OG 3.48Å; R383-L407 HydrophobicContact CB-CD1 4.29Å
384D93.4Very high92.7Very high35 Ų3534.5 Ų34.519%0.18721%0.21CC..Hα-helixtrans-68.1-32.3-179.2-715.2000112.8R169 K380 A381 L382 G386R169-D384 IonicContact CZ-OD2 3.57Å; R169-D384 VanDerWaalsContact CZ-OD2 3.29Å; R169-D384 IonicContact NH1-OD2 2.77Å; R169-D384 PolarHBondContact NH1-OD2 3.42Å; R169-D384 IonicContact NH2-OD2 2.64Å; K380-D384 PolarHBondContact O-N 3.37Å; A381-D384 PolarHBondContact O-N 2.89Å; L382-D384 VanDerWaalsContact C-N 3.27Å; L382-D384 PolarHBondContact O-N 2.94Å; D384-G386 VanDerWaalsContact C-N 3.33Å
385L91.7Very high92.5Very high11 Ų1135 Ų356%0.05822%0.217CC..Hα-helixtrans-65.3-40.7169.5-73.2172.6000110.7Y104 A381 L382 R383 A387 R388 Y510Y104-L385 HydrophobicContact CE1-CD1 4.38Å; A381-L385 WeakPolarHBondContact O-CG 3.4Å; A381-L385 PolarHBondContact O-N 2.84Å; L382-L385 HydrophobicContact CD2-CD1 4.41Å; L382-L385 WeakPolarHBondContact O-CB 3.25Å; L382-L385 PolarHBondContact O-N 3.35Å; R383-L385 VanDerWaalsContact C-N 3.33Å; R383-L385 PolarHBondContact O-N 2.84Å; L385-A387 VanDerWaalsContact C-N 3.3Å; L385-A387 PolarHBondContact O-N 3.36Å; L385-R388 WeakPolarHBondContact O-CB 3.39Å; L385-R388 WeakPolarHBondContact O-CG 3.1Å; L385-R388 PolarHBondContact O-N 3.49Å; L385-R388 VanDerWaalsContact O-N 3.15Å; L385-Y510 HydrophobicContact CD2-CD2 3.83Å; L385-Y510 HydrophobicContact CD2-CE2 4.48Å; L385-Y510 HydrophobicContact CD2-CG 4.05Å
386G89.9Confident92.3Very high1 Ų138.6 Ų38.61%0.0124%0.24CC..Hα-helixtrans-64-31.1176.500000114.6L382 R383 D384 R388 R495L382-G386 PolarHBondContact O-N 3.38Å; R383-G386 CarbonylContact O-C 3.54Å; R383-G386 WeakPolarHBondContact O-CA 3.36Å; R383-G386 PolarHBondContact O-N 3.5Å; R383-G386 VanDerWaalsContact O-N 3.12Å; D384-G386 VanDerWaalsContact C-N 3.33Å; G386-R388 PolarHBondContact O-N 2.84Å; G386-R495 VanDerWaalsContact O-CZ 3.24Å; G386-R495 PolarHBondContact O-NE 3.4Å; G386-R495 PolarHBondContact O-NH2 3.5Å
387A91.8Very high92Very high31 Ų3142.4 Ų42.426%0.25626%0.258SS..THydrogen-bonded Turntrans-69.4-1817600000113R383 L385 L390R383-A387 PolarHBondContact O-N 3.4Å; L385-A387 VanDerWaalsContact C-N 3.3Å; L385-A387 PolarHBondContact O-N 3.36Å; A387-L390 PolarHBondContact O-N 2.9Å
388R89.1Confident91.9Very high113 Ų11342.3 Ų42.343%0.42626%0.256SS..THydrogen-bonded Turntrans-68.7136.7-177.3-61.9-176.8178.4-1510.9111L385 G386 L390 R495L385-R388 WeakPolarHBondContact O-CB 3.39Å; L385-R388 WeakPolarHBondContact O-CG 3.1Å; L385-R388 PolarHBondContact O-N 3.49Å; L385-R388 VanDerWaalsContact O-N 3.15Å; G386-R388 PolarHBondContact O-N 2.84Å; R388-L390 PolarHBondContact O-N 3.34Å; R388-R495 PolarHBondContact O-NH2 2.88Å; R388-R495 VanDerWaalsContact O-NH2 3.08Å
389G85.6Confident91.7Very high87 Ų8743.6 Ų43.690%0.89727%0.271SS*.THydrogen-bonded Turntrans72.75179.700000114.5
390L90.8Very high91.4Very high42 Ų4248.2 Ų48.222%0.2229%0.288CS..  trans-77.7148.3163-69.5178.8000109.3A387 R388 A394 A395 W398 R495A387-L390 PolarHBondContact O-N 2.9Å; R388-L390 PolarHBondContact O-N 3.34Å; L390-A394 HydrophobicContact CB-CB 4.26Å; L390-A394 HydrophobicContact CD1-CB 4.48Å; L390-A394 HydrophobicContact CD2-CB 4.17Å; L390-A395 HydrophobicContact CB-CB 3.93Å; L390-W398 HydrophobicContact CD1-CB 3.87Å; L390-W398 HydrophobicContact CD1-CG 4.06Å; L390-R495 VanDerWaalsContact CD2-NH1 3.31Å
391D92.1Very high91.3Very high80 Ų8048.1 Ų48.143%0.42829%0.288SS..  trans-62.8161.8163.966.583.5000110.4T393 A394 A395D391-T393 VanDerWaalsContact C-N 3.29Å; D391-T393 PolarHBondContact O-N 3.36Å; D391-T393 PolarHBondContact OD1-N 2.85Å; D391-T393 PolarHBondContact OD1-OG1 2.81Å; D391-A394 PolarHBondContact O-N 3.27Å; D391-A394 PolarHBondContact OD1-N 2.84Å; D391-A394 WeakPolarHBondContact OD2-CB 3.41Å; D391-A395 VanDerWaalsContact O-CB 3.23Å; D391-A395 WeakPolarHBondContact O-CB 3.45Å; D391-A395 PolarHBondContact O-N 3.44Å
392P90.3Very high91.3Very high106 Ų10648.2 Ų48.269%0.68829%0.288SS*.Hα-helixtrans-59.5-33.1-174.2-26.535.9000115T396P392-T396 WeakPolarHBondContact O-CB 3.29Å; P392-T396 PolarHBondContact O-N 3.4Å; P392-T396 VanDerWaalsContact O-N 3.09Å; P392-T396 PolarHBondContact O-OG1 2.81Å
393T88.8Confident91.3Very high110 Ų11049.6 Ų49.668%0.67530%0.298SS*.Hα-helixtrans-77.7-45.7-177.3590000110.2D391 A395 T396 Q397D391-T393 VanDerWaalsContact C-N 3.29Å; D391-T393 PolarHBondContact O-N 3.36Å; D391-T393 PolarHBondContact OD1-N 2.85Å; D391-T393 PolarHBondContact OD1-OG1 2.81Å; T393-A395 VanDerWaalsContact C-N 3.34Å; T393-A395 PolarHBondContact O-N 2.89Å; T393-T396 WeakPolarHBondContact O-CB 3.36Å; T393-T396 PolarHBondContact O-N 3.39Å; T393-T396 VanDerWaalsContact O-N 3.17Å; T393-Q397 PolarHBondContact O-N 3.48Å
394A88.9Confident91.2Very high27 Ų2749.3 Ų49.322%0.22330%0.302CS..Hα-helixtrans-62.7-39.7173.700000112L390 D391 T396 Q397 W398L390-A394 HydrophobicContact CB-CB 4.26Å; L390-A394 HydrophobicContact CD1-CB 4.48Å; L390-A394 HydrophobicContact CD2-CB 4.17Å; D391-A394 PolarHBondContact O-N 3.27Å; D391-A394 PolarHBondContact OD1-N 2.84Å; D391-A394 WeakPolarHBondContact OD2-CB 3.41Å; A394-T396 VanDerWaalsContact C-N 3.3Å; A394-T396 PolarHBondContact O-N 2.83Å; A394-Q397 PolarHBondContact O-N 3.3Å; A394-W398 WeakPolarHBondContact O-CB 3.39Å; A394-W398 PolarHBondContact O-N 2.87Å
395A90.2Very high91.2Very high28 Ų2851.1 Ų51.123%0.23131%0.306CS..Hα-helixtrans-61.8-38.6174.700000112.1L390 D391 T393 G399L390-A395 HydrophobicContact CB-CB 3.93Å; D391-A395 VanDerWaalsContact O-CB 3.23Å; D391-A395 WeakPolarHBondContact O-CB 3.45Å; D391-A395 PolarHBondContact O-N 3.44Å; T393-A395 VanDerWaalsContact C-N 3.34Å; T393-A395 PolarHBondContact O-N 2.89Å; A395-G399 PolarHBondContact O-N 3.46Å
396T89.5Confident91.3Very high76 Ų7650.9 Ų50.947%0.46631%0.305SS..Hα-helixtrans-67.4-46176.4-60.90000111.1P392 T393 A394 G399 R400P392-T396 WeakPolarHBondContact O-CB 3.29Å; P392-T396 PolarHBondContact O-N 3.4Å; P392-T396 VanDerWaalsContact O-N 3.09Å; P392-T396 PolarHBondContact O-OG1 2.81Å; T393-T396 WeakPolarHBondContact O-CB 3.36Å; T393-T396 PolarHBondContact O-N 3.39Å; T393-T396 VanDerWaalsContact O-N 3.17Å; A394-T396 VanDerWaalsContact C-N 3.3Å; A394-T396 PolarHBondContact O-N 2.83Å; T396-G399 PolarHBondContact O-N 2.88Å; T396-R400 VanDerWaalsContact O-CG 3.32Å; T396-R400 WeakPolarHBondContact O-CG 3.46Å; T396-R400 PolarHBondContact O-N 2.73Å
397Q89.9Confident91.6Very high82 Ų8250.9 Ų50.938%0.38331%0.305SS..Hα-helixtrans-62.6-45.6176.9-171.1175.115.800111.5T393 A394 G399 R400 I401T393-Q397 PolarHBondContact O-N 3.48Å; A394-Q397 PolarHBondContact O-N 3.3Å; Q397-G399 VanDerWaalsContact C-N 3.35Å; Q397-G399 PolarHBondContact O-N 2.78Å; Q397-R400 PolarHBondContact O-N 2.75Å; Q397-R400 VanDerWaalsContact O-N 3.16Å; Q397-I401 HydrophobicContact CG-CD1 4.03Å; Q397-I401 WeakPolarHBondContact O-CG1 3.32Å; Q397-I401 PolarHBondContact O-N 3.42Å
398W93.1Very high91.8Very high11 Ų1149.6 Ų49.64%0.04229%0.294CS..Hα-helixtrans-54.7-47.8172.7171.7-97.7000112.1R383 L390 A394 R400 L402 A492 R495 L496 I499R383-W398 PolarHBondContact O-NE1 3.37Å; L390-W398 HydrophobicContact CD1-CB 3.87Å; L390-W398 HydrophobicContact CD1-CG 4.06Å; A394-W398 WeakPolarHBondContact O-CB 3.39Å; A394-W398 PolarHBondContact O-N 2.87Å; W398-R400 VanDerWaalsContact C-N 3.33Å; W398-R400 PolarHBondContact O-N 2.95Å; W398-L402 HydrophobicContact CD2-CD1 4.1Å; W398-L402 HydrophobicContact CE3-CD1 4.12Å; W398-L402 HydrophobicContact CH2-CD1 3.48Å; W398-L402 VanDerWaalsContact CH2-CD1 3.48Å; W398-L402 HydrophobicContact CZ2-CD1 3.45Å; W398-L402 VanDerWaalsContact CZ2-CD1 3.45Å; W398-L402 HydrophobicContact CZ3-CD1 3.81Å; W398-L402 WeakPolarHBondContact O-CB 3.5Å; W398-L402 PolarHBondContact O-N 3.29Å; W398-A492 HydrophobicContact CE3-CB 4.15Å; W398-A492 HydrophobicContact CZ3-CB 4.08Å; W398-A492 WeakPolarHBondContact CZ3-O 2.85Å; W398-R495 HydrophobicContact CH2-CB 4.16Å; W398-R495 HydrophobicContact CH2-CG 4.03Å; W398-R495 HydrophobicContact CZ3-CB 3.74Å; W398-R495 HydrophobicContact CZ3-CG 3.9Å; W398-L496 HydrophobicContact CH2-CB 4.24Å; W398-I499 HydrophobicContact CH2-CD1 3.83Å; W398-I499 HydrophobicContact CZ2-CD1 3.81Å
399G92Very high92Very high30 Ų3044.3 Ų44.331%0.30927%0.274SS..Hα-helixtrans-67.1-29.917800000114A395 T396 Q397 L402 S403A395-G399 PolarHBondContact O-N 3.46Å; T396-G399 PolarHBondContact O-N 2.88Å; Q397-G399 VanDerWaalsContact C-N 3.35Å; Q397-G399 PolarHBondContact O-N 2.78Å; G399-L402 CarbonylContact O-C 3.52Å; G399-S403 VanDerWaalsContact O-CA 3.25Å; G399-S403 WeakPolarHBondContact O-CA 3.46Å; G399-S403 PolarHBondContact O-N 3.3Å; G399-S403 VanDerWaalsContact O-N 3.16Å
400R91.1Very high92.5Very high98 Ų9840.1 Ų40.137%0.3723%0.231SC..Hα-helixtrans-72.8-48.5174.7-75.2177.6-179.8-161.5-3.3111.5P327 T396 Q397 W398 S403 F484P327-R400 PolarHBondContact O-NH1 3.27Å; T396-R400 VanDerWaalsContact O-CG 3.32Å; T396-R400 WeakPolarHBondContact O-CG 3.46Å; T396-R400 PolarHBondContact O-N 2.73Å; Q397-R400 PolarHBondContact O-N 2.75Å; Q397-R400 VanDerWaalsContact O-N 3.16Å; W398-R400 VanDerWaalsContact C-N 3.33Å; W398-R400 PolarHBondContact O-N 2.95Å; R400-S403 WeakPolarHBondContact O-CB 3.35Å; R400-S403 PolarHBondContact O-N 3.47Å; R400-F484 HydrophobicContact CB-CE1 4.02Å; R400-F484 HydrophobicContact CB-CZ 4.31Å
401I94.2Very high92.7Very high3 Ų338.3 Ų38.32%0.01522%0.221CC..Hα-helixtrans-61.5-50.3177.8-66.4168.8000109.8Q397 S403 V406 L445 F484 A488 A492Q397-I401 HydrophobicContact CG-CD1 4.03Å; Q397-I401 WeakPolarHBondContact O-CG1 3.32Å; Q397-I401 PolarHBondContact O-N 3.42Å; I401-S403 VanDerWaalsContact C-N 3.26Å; I401-S403 PolarHBondContact O-N 3.44Å; I401-V406 WeakPolarHBondContact O-CG2 3.25Å; I401-L445 HydrophobicContact CG2-CD2 3.6Å; I401-F484 HydrophobicContact CD1-CD1 4.33Å; I401-F484 HydrophobicContact CG1-CB 4.43Å; I401-F484 HydrophobicContact CG1-CD1 3.47Å; I401-F484 VanDerWaalsContact CG1-CD1 3.47Å; I401-F484 HydrophobicContact CG1-CD2 4.35Å; I401-F484 HydrophobicContact CG1-CE1 3.69Å; I401-F484 HydrophobicContact CG1-CG 3.83Å; I401-F484 HydrophobicContact CG1-CZ 4.24Å; I401-A488 HydrophobicContact CD1-CB 3.98Å; I401-A492 HydrophobicContact CD1-CB 4.3Å; I401-A492 HydrophobicContact CG2-CB 4.16Å
402L95.8Very high92.6Very high2 Ų234.5 Ų34.51%0.0120%0.201CC..THydrogen-bonded Turntrans-94.642.2178.7-58.7-172.9000111.6R383 W398 G399 L407 L441 L445R383-L402 WeakPolarHBondContact CD-O 3.17Å; R383-L402 HydrophobicContact CG-CB 3.79Å; R383-L402 HydrophobicContact CG-CD1 4.33Å; R383-L402 PolarHBondContact NH1-O 3.38Å; W398-L402 HydrophobicContact CD2-CD1 4.1Å; W398-L402 HydrophobicContact CE3-CD1 4.12Å; W398-L402 HydrophobicContact CH2-CD1 3.48Å; W398-L402 VanDerWaalsContact CH2-CD1 3.48Å; W398-L402 HydrophobicContact CZ2-CD1 3.45Å; W398-L402 VanDerWaalsContact CZ2-CD1 3.45Å; W398-L402 HydrophobicContact CZ3-CD1 3.81Å; W398-L402 WeakPolarHBondContact O-CB 3.5Å; W398-L402 PolarHBondContact O-N 3.29Å; G399-L402 CarbonylContact O-C 3.52Å; L402-L407 HydrophobicContact CB-CD2 4.47Å; L402-L407 HydrophobicContact CD2-CD2 4.41Å; L402-L441 HydrophobicContact CD2-CD1 3.91Å; L402-L441 HydrophobicContact CD2-CD2 3.82Å; L402-L441 HydrophobicContact CD2-CG 4.26Å; L402-L445 HydrophobicContact CD2-CD1 4.34Å
403S93.9Very high92.6Very high32 Ų3230.7 Ų30.722%0.22418%0.176CC..  trans-56.4154.2177.2710000110.8G399 R400 I401 Y405 V406 L407G399-S403 VanDerWaalsContact O-CA 3.25Å; G399-S403 WeakPolarHBondContact O-CA 3.46Å; G399-S403 PolarHBondContact O-N 3.3Å; G399-S403 VanDerWaalsContact O-N 3.16Å; R400-S403 WeakPolarHBondContact O-CB 3.35Å; R400-S403 PolarHBondContact O-N 3.47Å; I401-S403 VanDerWaalsContact C-N 3.26Å; I401-S403 PolarHBondContact O-N 3.44Å; S403-Y405 PolarHBondContact O-N 2.91Å; S403-Y405 VanDerWaalsContact O-N 3.07Å; S403-V406 PolarHBondContact O-N 2.94Å; S403-V406 VanDerWaalsContact O-N 3.08Å; S403-V406 WeakPolarHBondContact OG-CG2 3.36Å; S403-V406 PolarHBondContact OG-N 2.9Å; S403-V406 VanDerWaalsContact OG-N 3.16Å; S403-L407 WeakPolarHBondContact O-CG 3.44Å; S403-L407 PolarHBondContact O-N 2.93Å
404S93.5Very high92.7Very high31 Ų3126 Ų2622%0.21715%0.147CC..Hα-helixtrans-59-24.7176-66.20000112.6K380 R383 K408K380-S404 VanDerWaalsContact CE-OG 3.25Å; K380-S404 WeakPolarHBondContact CE-OG 3.43Å; R383-S404 PolarHBondContact NH1-OG 3.48Å; S404-K408 VanDerWaalsContact O-CB 3.3Å; S404-K408 WeakPolarHBondContact O-CB 3.48Å; S404-K408 PolarHBondContact O-N 3.21Å
405Y92.8Very high92.5Very high73 Ų7324.8 Ų24.829%0.28614%0.137SC..Hα-helixtrans-68.7-50.2173.7-171-106.4000111.9E355 S403 L407 K408 T409 H453 L480E355-Y405 WeakPolarHBondContact OE1-CE2 3.45Å; E355-Y405 VanDerWaalsContact OE1-CZ 3.23Å; E355-Y405 PolarHBondContact OE1-OH 3.35Å; E355-Y405 WeakPolarHBondContact OE2-CE2 3.3Å; S403-Y405 PolarHBondContact O-N 2.91Å; S403-Y405 VanDerWaalsContact O-N 3.07Å; Y405-L407 VanDerWaalsContact C-N 3.34Å; Y405-L407 PolarHBondContact O-N 3.34Å; Y405-K408 WeakPolarHBondContact O-CB 3.38Å; Y405-K408 PolarHBondContact O-N 3.28Å; Y405-T409 PolarHBondContact O-N 3.05Å; Y405-T409 PolarHBondContact O-OG1 3.19Å; Y405-T409 VanDerWaalsContact O-OG1 3.1Å; Y405-H453 PolarHBondContact OH-CD2 3.09Å; Y405-H453 VanDerWaalsContact OH-CD2 3.26Å; Y405-H453 PolarHBondContact OH-CE1 2.87Å; Y405-H453 PolarHBondContact OH-ND1 3.42Å; Y405-H453 PolarHBondContact OH-NE2 3.45Å; Y405-L480 HydrophobicContact CD1-CD1 4.03Å; Y405-L480 HydrophobicContact CD1-CD2 4.4Å; Y405-L480 HydrophobicContact CE1-CD1 3.71Å; Y405-L480 HydrophobicContact CE1-CD2 3.76Å; Y405-L480 HydrophobicContact CE1-CG 4.42Å
406V94.9Very high92.2Very high5 Ų526.1 Ų26.13%0.0314%0.14CC..Hα-helixtrans-57.1-45.9175.2165.60000111.5I401 S403 K408 T409 V410 L441 L451 L480 L481I401-V406 WeakPolarHBondContact O-CG2 3.25Å; S403-V406 PolarHBondContact O-N 2.94Å; S403-V406 VanDerWaalsContact O-N 3.08Å; S403-V406 WeakPolarHBondContact OG-CG2 3.36Å; S403-V406 PolarHBondContact OG-N 2.9Å; S403-V406 VanDerWaalsContact OG-N 3.16Å; V406-K408 VanDerWaalsContact C-N 3.34Å; V406-K408 PolarHBondContact O-N 2.96Å; V406-T409 PolarHBondContact O-N 3.37Å; V406-V410 WeakPolarHBondContact O-CG2 3.48Å; V406-V410 PolarHBondContact O-N 3.47Å; V406-L441 HydrophobicContact CG1-CD1 4.3Å; V406-L451 HydrophobicContact CG1-CD2 3.75Å; V406-L480 HydrophobicContact CG2-CB 4.47Å; V406-L481 HydrophobicContact CG1-CD2 4.33Å; V406-L481 HydrophobicContact CG2-CD2 4.5Å
407L96.6Very high91.9Very high1 Ų128 Ų281%0.00515%0.147CC..Hα-helixtrans-64.5-38.1179-60-177.3000112.4L376 L379 K380 R383 L402 S403 Y405 L411 L441L376-L407 HydrophobicContact CD1-CB 3.97Å; L379-L407 HydrophobicContact CD2-CB 4.21Å; L379-L407 HydrophobicContact CD2-CD2 3.87Å; L379-L407 HydrophobicContact CD2-CG 4.46Å; L379-L407 HydrophobicContact CG-CD1 4.23Å; L379-L407 HydrophobicContact CG-CD2 3.96Å; L379-L407 HydrophobicContact CG-CG 4.49Å; K380-L407 HydrophobicContact CB-CD1 4.41Å; K380-L407 HydrophobicContact CG-CD1 3.73Å; R383-L407 HydrophobicContact CB-CD1 4.29Å; L402-L407 HydrophobicContact CB-CD2 4.47Å; L402-L407 HydrophobicContact CD2-CD2 4.41Å; S403-L407 WeakPolarHBondContact O-CG 3.44Å; S403-L407 PolarHBondContact O-N 2.93Å; Y405-L407 VanDerWaalsContact C-N 3.34Å; Y405-L407 PolarHBondContact O-N 3.34Å; L407-L411 PolarHBondContact O-N 2.78Å; L407-L441 HydrophobicContact CD2-CD2 3.7Å
408K95Very high91.4Very high5 Ų527.4 Ų27.42%0.02214%0.144CC..Hα-helixtrans-64.3-46.3174-17918066.7164.50110.7E164 E355 L359 L376 S404 Y405 V406 V410 L411 L412E164-K408 IonicContact OE1-NZ 3.49Å; E164-K408 VanDerWaalsContact OE2-CD 3.29Å; E164-K408 WeakPolarHBondContact OE2-CD 2.74Å; E164-K408 IonicContact OE2-NZ 3.46Å; E164-K408 PolarHBondContact OE2-NZ 3.31Å; E355-K408 WeakPolarHBondContact OE2-CE 3.3Å; E355-K408 IonicContact OE2-NZ 2.72Å; E355-K408 PolarHBondContact OE2-NZ 2.88Å; L359-K408 HydrophobicContact CD1-CD 4.26Å; L376-K408 HydrophobicContact CD2-CB 4.37Å; L376-K408 HydrophobicContact CD2-CG 4.43Å; S404-K408 VanDerWaalsContact O-CB 3.3Å; S404-K408 WeakPolarHBondContact O-CB 3.48Å; S404-K408 PolarHBondContact O-N 3.21Å; Y405-K408 WeakPolarHBondContact O-CB 3.38Å; Y405-K408 PolarHBondContact O-N 3.28Å; V406-K408 VanDerWaalsContact C-N 3.34Å; V406-K408 PolarHBondContact O-N 2.96Å; K408-V410 VanDerWaalsContact C-N 3.33Å; K408-V410 PolarHBondContact O-N 3.12Å; K408-L411 WeakPolarHBondContact O-CB 3.28Å; K408-L411 PolarHBondContact O-N 3.42Å; K408-L412 HydrophobicContact CG-CD1 3.99Å; K408-L412 HydrophobicContact CG-CG 4.38Å; K408-L412 WeakPolarHBondContact O-CG 3.48Å; K408-L412 PolarHBondContact O-N 3.3Å
409T94.3Very high90.1Very high1 Ų129.9 Ų29.91%0.00617%0.173CC..Hα-helixtrans-60.7-41.9178.1-59.50000111.7Y405 V406 L411 L412 T413 L451 F452 L480Y405-T409 PolarHBondContact O-N 3.05Å; Y405-T409 PolarHBondContact O-OG1 3.19Å; Y405-T409 VanDerWaalsContact O-OG1 3.1Å; V406-T409 PolarHBondContact O-N 3.37Å; T409-L411 VanDerWaalsContact C-N 3.34Å; T409-L411 PolarHBondContact O-N 3Å; T409-L412 PolarHBondContact O-N 2.91Å; T409-T413 WeakPolarHBondContact O-CB 3.41Å; T409-T413 PolarHBondContact O-N 3.46Å; T409-T413 PolarHBondContact O-OG1 2.96Å; T409-L451 HydrophobicContact CG2-CD1 3.95Å; T409-L451 HydrophobicContact CG2-CG 4.16Å; T409-F452 VanDerWaalsContact CG2-O 3.26Å; T409-F452 WeakPolarHBondContact CG2-O 3.31Å; T409-L480 HydrophobicContact CG2-CD1 3.61Å; T409-L480 WeakPolarHBondContact OG1-CD1 3.46Å
410V95.5Very high88.7Confident0 Ų028.8 Ų28.80%016%0.162CC..Hα-helixtrans-56.2-47.7173.7164.50000111.7V406 K408 T413 V414 L437 F440 L441 L451V406-V410 WeakPolarHBondContact O-CG2 3.48Å; V406-V410 PolarHBondContact O-N 3.47Å; K408-V410 VanDerWaalsContact C-N 3.33Å; K408-V410 PolarHBondContact O-N 3.12Å; V410-T413 PolarHBondContact O-N 3.28Å; V410-V414 HydrophobicContact CG1-CG2 4.5Å; V410-V414 WeakPolarHBondContact O-CB 3.49Å; V410-V414 VanDerWaalsContact O-CG2 3.29Å; V410-V414 WeakPolarHBondContact O-CG2 3.38Å; V410-V414 PolarHBondContact O-N 2.81Å; V410-L437 HydrophobicContact CG1-CD2 4.02Å; V410-F440 HydrophobicContact CB-CD1 4.39Å; V410-F440 HydrophobicContact CG1-CD1 3.74Å; V410-F440 HydrophobicContact CG1-CE1 4.47Å; V410-F440 HydrophobicContact CG2-CD1 4.22Å; V410-F440 HydrophobicContact CG2-CE1 4.45Å; V410-L441 HydrophobicContact CG1-CB 4.42Å; V410-L441 HydrophobicContact CG2-CB 4.37Å; V410-L441 HydrophobicContact CG2-CD1 4.04Å; V410-L451 HydrophobicContact CG2-CD1 3.73Å; V410-L451 HydrophobicContact CG2-CD2 3.85Å; V410-L451 HydrophobicContact CG2-CG 4.48Å
411L93.7Very high87.2Confident3 Ų325.1 Ų25.12%0.01615%0.151CC..Hα-helixtrans-58.2-51.1176.7-179.479.1000111.3Y372 L376 L407 K408 T409 T413 V414 F415 W425 L437Y372-L411 HydrophobicContact CD2-CD2 4.24Å; L376-L411 HydrophobicContact CB-CD2 4.05Å; L376-L411 HydrophobicContact CD2-CD2 4.04Å; L407-L411 PolarHBondContact O-N 2.78Å; K408-L411 WeakPolarHBondContact O-CB 3.28Å; K408-L411 PolarHBondContact O-N 3.42Å; T409-L411 VanDerWaalsContact C-N 3.34Å; T409-L411 PolarHBondContact O-N 3Å; L411-T413 PolarHBondContact O-N 3.16Å; L411-V414 PolarHBondContact O-N 2.93Å; L411-F415 VanDerWaalsContact O-CB 3.31Å; L411-F415 WeakPolarHBondContact O-CB 3.38Å; L411-F415 PolarHBondContact O-N 3.42Å; L411-W425 HydrophobicContact CD1-CH2 3.73Å; L411-W425 HydrophobicContact CD1-CZ3 3.83Å; L411-L437 HydrophobicContact CB-CD2 4.41Å; L411-L437 HydrophobicContact CD1-CD1 3.81Å; L411-L437 HydrophobicContact CD1-CD2 3.98Å
412L91.1Very high85.6Confident1 Ų128.5 Ų28.51%0.00517%0.171CC..Hα-helixtrans-60.4-45.5-178.1-67.8173.7000111.5L358 L359 L362 K408 T409 F415 L416 C454L358-L412 HydrophobicContact CD2-CD1 4.2Å; L358-L412 HydrophobicContact CD2-CD2 4.19Å; L358-L412 HydrophobicContact CG-CD2 4.33Å; L359-L412 HydrophobicContact CD2-CD2 3.77Å; L359-L412 HydrophobicContact CG-CD2 4.37Å; L362-L412 HydrophobicContact CD1-CD2 3.15Å; K408-L412 HydrophobicContact CG-CD1 3.99Å; K408-L412 HydrophobicContact CG-CG 4.38Å; K408-L412 WeakPolarHBondContact O-CG 3.48Å; K408-L412 PolarHBondContact O-N 3.3Å; T409-L412 PolarHBondContact O-N 2.91Å; L412-F415 PolarHBondContact O-N 3.16Å; L412-L416 WeakPolarHBondContact O-CB 3.46Å; L412-L416 VanDerWaalsContact O-CG 3.25Å; L412-L416 WeakPolarHBondContact O-CG 3.43Å; L412-L416 PolarHBondContact O-N 3.04Å; L412-C454 WeakPolarHBondContact CB-SG 3.33Å
413T90.7Very high84Confident25 Ų2536.4 Ų36.415%0.15321%0.208CC..Hα-helixtrans-64.9-44.9179.2-600000111.9T409 V410 L411 F415 L416 N417 F440T409-T413 WeakPolarHBondContact O-CB 3.41Å; T409-T413 PolarHBondContact O-N 3.46Å; T409-T413 PolarHBondContact O-OG1 2.96Å; V410-T413 PolarHBondContact O-N 3.28Å; L411-T413 PolarHBondContact O-N 3.16Å; T413-F415 VanDerWaalsContact C-N 3.27Å; T413-F415 PolarHBondContact O-N 3.34Å; T413-L416 PolarHBondContact O-N 3.37Å; T413-N417 WeakPolarHBondContact O-CB 3.35Å; T413-N417 PolarHBondContact O-N 3.17Å; T413-N417 PolarHBondContact O-ND2 2.92Å; T413-F440 HydrophobicContact CG2-CE1 4.21Å; T413-F440 HydrophobicContact CG2-CE2 4.46Å; T413-F440 HydrophobicContact CG2-CZ 3.61Å
414V90.1Very high83Confident12 Ų1236.2 Ų36.27%0.07321%0.207CC..Hα-helixtrans-60.3-43.2176.4171.50000110.4V410 L411 N417 E418 W425 L437 F440V410-V414 HydrophobicContact CG1-CG2 4.5Å; V410-V414 WeakPolarHBondContact O-CB 3.49Å; V410-V414 VanDerWaalsContact O-CG2 3.29Å; V410-V414 WeakPolarHBondContact O-CG2 3.38Å; V410-V414 PolarHBondContact O-N 2.81Å; L411-V414 PolarHBondContact O-N 2.93Å; V414-N417 PolarHBondContact O-N 3.48Å; V414-E418 PolarHBondContact O-N 3.28Å; V414-E418 VanDerWaalsContact O-N 3.09Å; V414-W425 HydrophobicContact CG1-CZ2 4.05Å; V414-L437 HydrophobicContact CB-CD2 4.16Å; V414-L437 HydrophobicContact CG1-CD2 4.41Å; V414-L437 HydrophobicContact CG2-CD2 4.11Å; V414-F440 HydrophobicContact CG2-CB 3.77Å; V414-F440 HydrophobicContact CG2-CD1 3.79Å; V414-F440 HydrophobicContact CG2-CD2 3.58Å; V414-F440 HydrophobicContact CG2-CE1 4.24Å; V414-F440 HydrophobicContact CG2-CE2 4.08Å; V414-F440 HydrophobicContact CG2-CG 3.41Å; V414-F440 VanDerWaalsContact CG2-CG 3.41Å; V414-F440 HydrophobicContact CG2-CZ 4.39Å
415F85.7Confident82.7Confident2 Ų234.7 Ų34.71%0.00920%0.196CC..Hα-helixtrans-65.5-43.8180-163.1-72.3000112.7L362 L411 L412 T413 N417 E418 G420 P421L362-F415 HydrophobicContact CB-CZ 4.46Å; L362-F415 HydrophobicContact CD2-CD1 3.14Å; L362-F415 HydrophobicContact CD2-CE1 3.04Å; L362-F415 HydrophobicContact CD2-CE2 4.46Å; L362-F415 HydrophobicContact CD2-CG 3.9Å; L362-F415 HydrophobicContact CD2-CZ 3.72Å; L362-F415 HydrophobicContact CG-CD1 4.49Å; L362-F415 HydrophobicContact CG-CE1 4.33Å; L411-F415 VanDerWaalsContact O-CB 3.31Å; L411-F415 WeakPolarHBondContact O-CB 3.38Å; L411-F415 PolarHBondContact O-N 3.42Å; L412-F415 PolarHBondContact O-N 3.16Å; T413-F415 VanDerWaalsContact C-N 3.27Å; T413-F415 PolarHBondContact O-N 3.34Å; F415-N417 VanDerWaalsContact C-N 3.34Å; F415-E418 PolarHBondContact O-N 2.93Å; F415-G420 PolarHBondContact O-N 2.92Å; F415-P421 HydrophobicContact CE1-CB 4.21Å; F415-P421 VanDerWaalsContact CE1-CD 3.44Å; F415-P421 HydrophobicContact CE1-CG 4.09Å; F415-P421 HydrophobicContact CE2-CB 3.7Å; F415-P421 HydrophobicContact CE2-CG 4.35Å; F415-P421 HydrophobicContact CZ-CB 3.31Å; F415-P421 HydrophobicContact CZ-CG 3.47Å; F415-P421 VanDerWaalsContact CZ-CG 3.47Å
416L83.6Confident82.4Confident56 Ų5634.5 Ų34.529%0.29320%0.2SC..Hα-helixtrans-63.9-39.1176.7-71.9171.1000111.6L358 W361 L412 T413 E418 G419L358-L416 HydrophobicContact CD1-CD2 4.44Å; L358-L416 HydrophobicContact CD2-CD1 4.45Å; W361-L416 HydrophobicContact CZ3-CD2 4.41Å; L412-L416 WeakPolarHBondContact O-CB 3.46Å; L412-L416 VanDerWaalsContact O-CG 3.25Å; L412-L416 WeakPolarHBondContact O-CG 3.43Å; L412-L416 PolarHBondContact O-N 3.04Å; T413-L416 PolarHBondContact O-N 3.37Å; L416-E418 VanDerWaalsContact C-N 3.34Å; L416-E418 PolarHBondContact O-N 3.01Å; L416-G419 PolarHBondContact O-N 2.92Å
417N83.1Confident81.9Confident116 Ų11638.5 Ų38.562%0.6222%0.218SC*.Hα-helixtrans-67.2-31.7177.2-70.9-15.3000113.2T413 V414 F415 G419T413-N417 WeakPolarHBondContact O-CB 3.35Å; T413-N417 PolarHBondContact O-N 3.17Å; T413-N417 PolarHBondContact O-ND2 2.92Å; V414-N417 PolarHBondContact O-N 3.48Å; F415-N417 VanDerWaalsContact C-N 3.34Å; N417-G419 PolarHBondContact O-N 3.5Å
418E78.9Confident81.4Confident68 Ų6842.1 Ų42.132%0.31825%0.248SC..THydrogen-bonded Turntrans-78.4-0.1176.4-72-169.2162.900112.8V414 F415 L416 G420 S424 W425 K436V414-E418 PolarHBondContact O-N 3.28Å; V414-E418 VanDerWaalsContact O-N 3.09Å; F415-E418 PolarHBondContact O-N 2.93Å; L416-E418 VanDerWaalsContact C-N 3.34Å; L416-E418 PolarHBondContact O-N 3.01Å; E418-G420 VanDerWaalsContact C-N 3.26Å; E418-G420 PolarHBondContact O-N 3.09Å; E418-S424 PolarHBondContact OE2-OG 3.2Å; E418-W425 PolarHBondContact OE2-NE1 3.41Å; E418-K436 IonicContact OE1-NZ 3.2Å; E418-K436 PolarHBondContact OE1-NZ 2.8Å
419G65.9Low81.1Confident64 Ų6445.1 Ų45.166%0.6626%0.262SS*.THydrogen-bonded Turntrans74.312.4177.500000114.6L416 N417L416-G419 PolarHBondContact O-N 2.92Å; N417-G419 PolarHBondContact O-N 3.5Å
420G62.8Low81Confident6 Ų645.1 Ų45.16%0.06226%0.263CS..SBendtrans126.3179.7178.700000114.1F415 E418 T422F415-G420 PolarHBondContact O-N 2.92Å; E418-G420 VanDerWaalsContact C-N 3.26Å; E418-G420 PolarHBondContact O-N 3.09Å; G420-T422 PolarHBondContact O-N 3.02Å
421P58.7Low80.8Confident22 Ų2246.6 Ų46.614%0.14327%0.273CS..  trans-78.496.7-179.729.3-24.8000109.4R365 A366 F415R365-P421 VanDerWaalsContact C-CG 3.44Å; R365-P421 HydrophobicContact CB-CG 4.09Å; R365-P421 WeakPolarHBondContact O-CG 3.36Å; A366-P421 VanDerWaalsContact CA-CG 3.47Å; A366-P421 HydrophobicContact CB-CB 4.36Å; A366-P421 HydrophobicContact CB-CG 4.32Å; F415-P421 HydrophobicContact CE1-CB 4.21Å; F415-P421 VanDerWaalsContact CE1-CD 3.44Å; F415-P421 HydrophobicContact CE1-CG 4.09Å; F415-P421 HydrophobicContact CE2-CB 3.7Å; F415-P421 HydrophobicContact CE2-CG 4.35Å; F415-P421 HydrophobicContact CZ-CB 3.31Å; F415-P421 HydrophobicContact CZ-CG 3.47Å; F415-P421 VanDerWaalsContact CZ-CG 3.47Å
422T62.3Low80.7Confident73 Ų7351.5 Ų51.545%0.44830%0.296SS..  trans-79.5178.5168.866.30000110.2G420 S424 W425G420-T422 PolarHBondContact O-N 3.02Å; T422-S424 PolarHBondContact O-N 2.9Å; T422-S424 WeakPolarHBondContact OG1-CB 3.44Å; T422-S424 PolarHBondContact OG1-N 3.19Å; T422-S424 PolarHBondContact OG1-OG 3.49Å; T422-W425 PolarHBondContact O-N 3.26Å
423H60.5Low80.8Confident169 Ų16951.5 Ų51.578%0.78230%0.296SS*.G310 helixtrans-52.8-12.1168-67.7-77.8000113.4W425 D426H423-W425 PolarHBondContact O-N 2.98Å; H423-D426 PolarHBondContact O-N 3.25Å
424S74.1Confident80.9Confident27 Ų2750.3 Ų50.319%0.18929%0.288CS..G310 helixtrans-63.5-16.5176.774.70000115E418 T422 C433E418-S424 PolarHBondContact OE2-OG 3.2Å; T422-S424 PolarHBondContact O-N 2.9Å; T422-S424 WeakPolarHBondContact OG1-CB 3.44Å; T422-S424 PolarHBondContact OG1-N 3.19Å; T422-S424 PolarHBondContact OG1-OG 3.49Å; S424-C433 PolarHBondContact O-SG 3.47Å
425W85.7Confident81.2Confident0 Ų053 Ų530%030%0.3CS..G310 helixtrans-105.820-178.4-70.790.2000113.7A370 C371 C375 L411 V414 E418 T422 H423 C433 L437A370-W425 CarbonylContact C-O 3.55Å; A370-W425 VanDerWaalsContact CA-O 3.26Å; A370-W425 WeakPolarHBondContact CA-O 3.43Å; C371-W425 PolarHBondContact N-O 3.42Å; C371-W425 PolarHBondContact SG-O 3.24Å; C375-W425 HydrophobicContact CB-CZ3 4.35Å; L411-W425 HydrophobicContact CD1-CH2 3.73Å; L411-W425 HydrophobicContact CD1-CZ3 3.83Å; V414-W425 HydrophobicContact CG1-CZ2 4.05Å; E418-W425 PolarHBondContact OE2-NE1 3.41Å; T422-W425 PolarHBondContact O-N 3.26Å; H423-W425 PolarHBondContact O-N 2.98Å; W425-C433 HydrophobicContact CE3-CB 3.99Å; W425-C433 HydrophobicContact CZ3-CB 3.92Å; W425-L437 HydrophobicContact CH2-CD1 4.29Å; W425-L437 HydrophobicContact CH2-CD2 4.09Å; W425-L437 HydrophobicContact CH2-CG 4.22Å; W425-L437 HydrophobicContact CZ3-CD1 4.41Å
426D86.4Confident81.5Confident69 Ų6956.5 Ų56.537%0.36932%0.315SS..SBendtrans-68154.6174.5-170.411.3000112.1C371 H423 A428 H429C371-D426 PolarHBondContact SG-O 3.22Å; C371-D426 VanDerWaalsContact SG-O 3.33Å; H423-D426 PolarHBondContact O-N 3.25Å; D426-A428 PolarHBondContact O-N 2.71Å; D426-H429 PolarHBondContact O-N 3.35Å
427E85.9Confident82.1Confident88 Ų8853.9 Ų53.941%0.41130%0.301SS..G310 helixtrans-58-33.1174.9-65.2-147.1116.700112G369 C371 K374 H429 L430G369-E427 WeakPolarHBondContact O-CG 3.45Å; C371-E427 HydrophobicContact CB-CG 4.27Å; K374-E427 IonicContact NZ-OE1 3.65Å; K374-E427 PolarHBondContact NZ-OE1 2.89Å; E427-H429 PolarHBondContact O-N 2.89Å; E427-H429 VanDerWaalsContact O-N 3.16Å; E427-L430 VanDerWaalsContact O-CB 3.26Å; E427-L430 WeakPolarHBondContact O-CB 3.44Å; E427-L430 PolarHBondContact O-N 3.21Å; E427-L430 VanDerWaalsContact O-N 3.08Å
428A86.5Confident82.8Confident77 Ų7748.5 Ų48.564%0.63627%0.273SS*.G310 helixtrans-56.9-29.6175.500000112.9D426D426-A428 PolarHBondContact O-N 2.71Å
429H87.8Confident83.6Confident68 Ų6849.6 Ų49.632%0.31528%0.277SS..G310 helixtrans-101.514.4-178.2-55.3102.1000112.9D426 E427 S431 E432 C433D426-H429 PolarHBondContact O-N 3.35Å; E427-H429 PolarHBondContact O-N 2.89Å; E427-H429 VanDerWaalsContact O-N 3.16Å; H429-S431 VanDerWaalsContact C-N 3.27Å; H429-S431 PolarHBondContact O-N 3.43Å; H429-S431 VanDerWaalsContact O-N 3.09Å; H429-E432 IonicContact CD2-OE2 3.78Å; H429-E432 WeakPolarHBondContact O-CA 3.41Å; H429-E432 WeakPolarHBondContact O-CB 3.04Å; H429-E432 PolarHBondContact O-N 3.33Å; H429-C433 PolarHBondContact O-N 3.14Å; H429-C433 PolarHBondContact O-SG 3.46Å
430L91.3Very high85Confident2 Ų247.2 Ų47.21%0.0125%0.248CC..Hα-helixtrans-48.5-44-174.7177.865.5000113.9L101 E102 C371 K374 L378 E427 L434L101-L430 HydrophobicContact CB-CD2 4.36Å; E102-L430 HydrophobicContact CG-CD2 4.41Å; C371-L430 HydrophobicContact CB-CD1 4Å; K374-L430 HydrophobicContact CB-CD1 4.34Å; K374-L430 HydrophobicContact CD-CD1 4.06Å; K374-L430 HydrophobicContact CD-CD2 4.02Å; K374-L430 HydrophobicContact CG-CD1 4.1Å; L378-L430 HydrophobicContact CD1-CD1 4Å; L378-L430 HydrophobicContact CD1-CD2 4Å; L378-L430 HydrophobicContact CD1-CG 4.24Å; E427-L430 VanDerWaalsContact O-CB 3.26Å; E427-L430 WeakPolarHBondContact O-CB 3.44Å; E427-L430 PolarHBondContact O-N 3.21Å; E427-L430 VanDerWaalsContact O-N 3.08Å; L430-L434 VanDerWaalsContact O-CB 3.31Å; L430-L434 WeakPolarHBondContact O-CB 3.23Å; L430-L434 PolarHBondContact O-N 2.91Å
431S91.9Very high86.6Confident31 Ų3147 Ų4722%0.21725%0.245CC..Hα-helixtrans-65.9-39.917948.90000112.6H429 L434 E435H429-S431 VanDerWaalsContact C-N 3.27Å; H429-S431 PolarHBondContact O-N 3.43Å; H429-S431 VanDerWaalsContact O-N 3.09Å; S431-L434 PolarHBondContact O-N 2.9Å; S431-E435 WeakPolarHBondContact O-CB 3.44Å; S431-E435 PolarHBondContact O-N 3.41Å
432E91.9Very high88.4Confident106 Ų10648.8 Ų48.850%0.49525%0.249SC..Hα-helixtrans-70.9-43.7179.5-61.5177.1-167.800110.9H429 L434 E435 K436H429-E432 IonicContact CD2-OE2 3.78Å; H429-E432 WeakPolarHBondContact O-CA 3.41Å; H429-E432 WeakPolarHBondContact O-CB 3.04Å; H429-E432 PolarHBondContact O-N 3.33Å; E432-L434 VanDerWaalsContact C-N 3.3Å; E432-L434 PolarHBondContact O-N 3.09Å; E432-E435 WeakPolarHBondContact O-CB 3.41Å; E432-E435 PolarHBondContact O-N 3.19Å; E432-K436 WeakPolarHBondContact O-CG 3.06Å; E432-K436 PolarHBondContact O-N 3.39Å
433C92.3Very high90.1Very high1 Ų146.3 Ų46.31%0.00723%0.234CC..Hα-helixtrans-57.6-45.4173.9-56.30000111.1C371 C375 S424 W425 H429 K436 L437C371-C433 VanDerWaalsContact SG-SG 3.69Å; C375-C433 VanDerWaalsContact SG-CB 3.53Å; S424-C433 PolarHBondContact O-SG 3.47Å; W425-C433 HydrophobicContact CE3-CB 3.99Å; W425-C433 HydrophobicContact CZ3-CB 3.92Å; H429-C433 PolarHBondContact O-N 3.14Å; H429-C433 PolarHBondContact O-SG 3.46Å; C433-K436 WeakPolarHBondContact O-CB 3.18Å; C433-K436 PolarHBondContact O-N 2.74Å; C433-L437 WeakPolarHBondContact O-CG 3.26Å; C433-L437 PolarHBondContact O-N 2.89Å; C433-L437 VanDerWaalsContact O-N 3.14Å
434L94.7Very high91.8Very high0 Ų038.3 Ų38.30%020%0.197CC..Hα-helixtrans-66.1-39.6178.1-171.463.1000111.5L101 L378 L379 L382 L430 S431 E432 K436 L437 V438 W500L101-L434 HydrophobicContact CD1-CD2 4.35Å; L101-L434 HydrophobicContact CD2-CD2 4.07Å; L378-L434 HydrophobicContact CB-CD1 4.29Å; L378-L434 HydrophobicContact CB-CD2 4.16Å; L378-L434 HydrophobicContact CD1-CD2 4.5Å; L379-L434 HydrophobicContact CB-CD1 4.08Å; L382-L434 HydrophobicContact CD1-CD1 4.47Å; L382-L434 HydrophobicContact CD1-CD2 4.13Å; L382-L434 HydrophobicContact CD1-CG 4.46Å; L430-L434 VanDerWaalsContact O-CB 3.31Å; L430-L434 WeakPolarHBondContact O-CB 3.23Å; L430-L434 PolarHBondContact O-N 2.91Å; S431-L434 PolarHBondContact O-N 2.9Å; E432-L434 VanDerWaalsContact C-N 3.3Å; E432-L434 PolarHBondContact O-N 3.09Å; L434-K436 PolarHBondContact O-N 3Å; L434-L437 PolarHBondContact O-N 3Å; L434-V438 WeakPolarHBondContact O-CG2 3.25Å; L434-V438 PolarHBondContact O-N 3Å; L434-W500 HydrophobicContact CB-CH2 4.04Å; L434-W500 HydrophobicContact CB-CZ3 4.35Å; L434-W500 HydrophobicContact CD2-CH2 4.02Å; L434-W500 HydrophobicContact CD2-CZ3 3.68Å; L434-W500 HydrophobicContact CG-CH2 3.84Å; L434-W500 HydrophobicContact CG-CZ3 3.63Å
435E94.4Very high92.8Very high68 Ų6837 Ų3732%0.31819%0.188SC..Hα-helixtrans-61-43.3174.9-166.4178.5170.100112S431 E432 L437 V438 K439 W500S431-E435 WeakPolarHBondContact O-CB 3.44Å; S431-E435 PolarHBondContact O-N 3.41Å; E432-E435 WeakPolarHBondContact O-CB 3.41Å; E432-E435 PolarHBondContact O-N 3.19Å; E435-L437 VanDerWaalsContact C-N 3.31Å; E435-L437 PolarHBondContact O-N 2.82Å; E435-V438 PolarHBondContact O-N 2.93Å; E435-K439 VanDerWaalsContact CD-NZ 3.29Å; E435-K439 HydrophobicContact CG-CD 4.16Å; E435-K439 HydrophobicContact CG-CG 4.45Å; E435-K439 WeakPolarHBondContact O-CB 3.39Å; E435-K439 WeakPolarHBondContact O-CG 3.1Å; E435-K439 PolarHBondContact O-N 2.82Å; E435-K439 WeakPolarHBondContact OE1-CE 3.45Å; E435-K439 IonicContact OE1-NZ 3.11Å; E435-K439 PolarHBondContact OE1-NZ 2.9Å; E435-W500 HydrophobicContact CB-CH2 4.08Å; E435-W500 HydrophobicContact CB-CZ2 3.49Å; E435-W500 VanDerWaalsContact CB-CZ2 3.49Å; E435-W500 HydrophobicContact CG-CZ2 3.68Å
436K93.6Very high93.3Very high76 Ų7639.5 Ų39.533%0.3320%0.201SC..Hα-helixtrans-56.5-46.4174.9-72175.3178.5-169.90111.2E418 E432 C433 L434 K439 F440E418-K436 IonicContact OE1-NZ 3.2Å; E418-K436 PolarHBondContact OE1-NZ 2.8Å; E432-K436 WeakPolarHBondContact O-CG 3.06Å; E432-K436 PolarHBondContact O-N 3.39Å; C433-K436 WeakPolarHBondContact O-CB 3.18Å; C433-K436 PolarHBondContact O-N 2.74Å; L434-K436 PolarHBondContact O-N 3Å; K436-K439 PolarHBondContact O-N 3.2Å; K436-F440 WeakPolarHBondContact O-CB 3.39Å; K436-F440 PolarHBondContact O-N 2.87Å
437L95.8Very high93.5Very high0 Ų042.8 Ų42.80%021%0.208CC..Hα-helixtrans-63.7-41.8178.1-66.4173.9000112.3C375 L379 V410 L411 V414 W425 C433 L434 E435 F440 L441C375-L437 HydrophobicContact CB-CD1 3.71Å; L379-L437 HydrophobicContact CD2-CB 4.29Å; V410-L437 HydrophobicContact CG1-CD2 4.02Å; L411-L437 HydrophobicContact CB-CD2 4.41Å; L411-L437 HydrophobicContact CD1-CD1 3.81Å; L411-L437 HydrophobicContact CD1-CD2 3.98Å; V414-L437 HydrophobicContact CB-CD2 4.16Å; V414-L437 HydrophobicContact CG1-CD2 4.41Å; V414-L437 HydrophobicContact CG2-CD2 4.11Å; W425-L437 HydrophobicContact CH2-CD1 4.29Å; W425-L437 HydrophobicContact CH2-CD2 4.09Å; W425-L437 HydrophobicContact CH2-CG 4.22Å; W425-L437 HydrophobicContact CZ3-CD1 4.41Å; C433-L437 WeakPolarHBondContact O-CG 3.26Å; C433-L437 PolarHBondContact O-N 2.89Å; C433-L437 VanDerWaalsContact O-N 3.14Å; L434-L437 PolarHBondContact O-N 3Å; E435-L437 VanDerWaalsContact C-N 3.31Å; E435-L437 PolarHBondContact O-N 2.82Å; L437-F440 PolarHBondContact O-N 2.94Å; L437-L441 VanDerWaalsContact O-CB 3.28Å; L437-L441 WeakPolarHBondContact O-CB 3.27Å; L437-L441 PolarHBondContact O-N 3.42Å
438V96.5Very high93.8Very high3 Ų346.9 Ų46.92%0.01822%0.219CC..Hα-helixtrans-66.3-42.6177.9171.40000111.3L379 L382 L434 E435 L441 R442 L496 W500L379-V438 HydrophobicContact CD1-CG2 3.93Å; L382-V438 HydrophobicContact CD1-CG2 4.48Å; L434-V438 WeakPolarHBondContact O-CG2 3.25Å; L434-V438 PolarHBondContact O-N 3Å; E435-V438 PolarHBondContact O-N 2.93Å; V438-L441 PolarHBondContact O-N 3.33Å; V438-R442 WeakPolarHBondContact O-CB 3.44Å; V438-R442 PolarHBondContact O-N 2.84Å; V438-L496 HydrophobicContact CG1-CD1 4.48Å; V438-L496 HydrophobicContact CG1-CD2 4.22Å; V438-L496 HydrophobicContact CG1-CG 4.11Å; V438-W500 HydrophobicContact CB-CD2 4.39Å; V438-W500 HydrophobicContact CB-CE3 4.3Å; V438-W500 HydrophobicContact CG1-CB 4.23Å; V438-W500 HydrophobicContact CG1-CD2 4.13Å; V438-W500 HydrophobicContact CG1-CE3 4.32Å; V438-W500 HydrophobicContact CG1-CG 4.08Å; V438-W500 HydrophobicContact CG2-CD2 4.28Å; V438-W500 HydrophobicContact CG2-CE3 3.7Å; V438-W500 HydrophobicContact CG2-CZ3 3.9Å
439K95.8Very high94Very high92 Ų9249.5 Ų49.540%0.421%0.213SC..Hα-helixtrans-62.1-46175-75.7173.5179.1164.80111.5E435 K436 R442 D443E435-K439 VanDerWaalsContact CD-NZ 3.29Å; E435-K439 HydrophobicContact CG-CD 4.16Å; E435-K439 HydrophobicContact CG-CG 4.45Å; E435-K439 WeakPolarHBondContact O-CB 3.39Å; E435-K439 WeakPolarHBondContact O-CG 3.1Å; E435-K439 PolarHBondContact O-N 2.82Å; E435-K439 WeakPolarHBondContact OE1-CE 3.45Å; E435-K439 IonicContact OE1-NZ 3.11Å; E435-K439 PolarHBondContact OE1-NZ 2.9Å; K436-K439 PolarHBondContact O-N 3.2Å; K439-R442 WeakPolarHBondContact O-CB 3.41Å; K439-R442 PolarHBondContact O-N 2.99Å; K439-D443 VanDerWaalsContact O-CG 3.27Å; K439-D443 PolarHBondContact O-N 2.78Å
440F95.9Very high94.2Very high14 Ų1450.8 Ų50.86%0.06122%0.222CC..Hα-helixtrans-61.2-48.9177.7-172.4-86.7000111.2V410 T413 V414 K436 L437 R442 D443 C444 L451V410-F440 HydrophobicContact CB-CD1 4.39Å; V410-F440 HydrophobicContact CG1-CD1 3.74Å; V410-F440 HydrophobicContact CG1-CE1 4.47Å; V410-F440 HydrophobicContact CG2-CD1 4.22Å; V410-F440 HydrophobicContact CG2-CE1 4.45Å; T413-F440 HydrophobicContact CG2-CE1 4.21Å; T413-F440 HydrophobicContact CG2-CE2 4.46Å; T413-F440 HydrophobicContact CG2-CZ 3.61Å; V414-F440 HydrophobicContact CG2-CB 3.77Å; V414-F440 HydrophobicContact CG2-CD1 3.79Å; V414-F440 HydrophobicContact CG2-CD2 3.58Å; V414-F440 HydrophobicContact CG2-CE1 4.24Å; V414-F440 HydrophobicContact CG2-CE2 4.08Å; V414-F440 HydrophobicContact CG2-CG 3.41Å; V414-F440 VanDerWaalsContact CG2-CG 3.41Å; V414-F440 HydrophobicContact CG2-CZ 4.39Å; K436-F440 WeakPolarHBondContact O-CB 3.39Å; K436-F440 PolarHBondContact O-N 2.87Å; L437-F440 PolarHBondContact O-N 2.94Å; F440-R442 VanDerWaalsContact C-N 3.34Å; F440-R442 PolarHBondContact O-N 3.45Å; F440-D443 PolarHBondContact O-N 3.31Å; F440-D443 VanDerWaalsContact O-N 3.15Å; F440-C444 WeakPolarHBondContact CE1-SG 3.5Å; F440-C444 PolarHBondContact O-N 3.05Å; F440-C444 PolarHBondContact O-SG 2.87Å; F440-C444 VanDerWaalsContact O-SG 3.33Å; F440-L451 HydrophobicContact CE1-CD1 4.01Å
441L97.1Very high94.3Very high0 Ų050.8 Ų50.80%022%0.222CC..Hα-helixtrans-60-42.2177.2175.459.5000112L402 V406 L407 V410 L437 V438 D443 C444 L445 L496L402-L441 HydrophobicContact CD2-CD1 3.91Å; L402-L441 HydrophobicContact CD2-CD2 3.82Å; L402-L441 HydrophobicContact CD2-CG 4.26Å; V406-L441 HydrophobicContact CG1-CD1 4.3Å; L407-L441 HydrophobicContact CD2-CD2 3.7Å; V410-L441 HydrophobicContact CG1-CB 4.42Å; V410-L441 HydrophobicContact CG2-CB 4.37Å; V410-L441 HydrophobicContact CG2-CD1 4.04Å; L437-L441 VanDerWaalsContact O-CB 3.28Å; L437-L441 WeakPolarHBondContact O-CB 3.27Å; L437-L441 PolarHBondContact O-N 3.42Å; V438-L441 PolarHBondContact O-N 3.33Å; L441-D443 VanDerWaalsContact C-N 3.35Å; L441-D443 PolarHBondContact O-N 3.36Å; L441-C444 PolarHBondContact O-N 3.03Å; L441-L445 HydrophobicContact CD1-CD1 4.24Å; L441-L445 HydrophobicContact CD1-CG 4.22Å; L441-L445 HydrophobicContact CG-CD1 4.14Å; L441-L445 VanDerWaalsContact O-CG 3.29Å; L441-L445 WeakPolarHBondContact O-CG 3.48Å; L441-L445 PolarHBondContact O-N 3.36Å; L441-L496 HydrophobicContact CB-CD2 4.25Å; L441-L496 HydrophobicContact CD2-CD2 3.58Å; L441-L496 HydrophobicContact CG-CD2 3.76Å
442R96.5Very high94.3Very high60 Ų6052.3 Ų52.323%0.22623%0.225CC..Hα-helixtrans-56.4-49.3173174.8-153.467.4-163.9-3.2111V438 K439 F440 C444 L445 L446 L497V438-R442 WeakPolarHBondContact O-CB 3.44Å; V438-R442 PolarHBondContact O-N 2.84Å; K439-R442 WeakPolarHBondContact O-CB 3.41Å; K439-R442 PolarHBondContact O-N 2.99Å; F440-R442 VanDerWaalsContact C-N 3.34Å; F440-R442 PolarHBondContact O-N 3.45Å; R442-C444 VanDerWaalsContact C-N 3.25Å; R442-C444 PolarHBondContact O-N 3.41Å; R442-L445 PolarHBondContact O-N 3.15Å; R442-L445 VanDerWaalsContact O-N 3.15Å; R442-L446 HydrophobicContact CG-CD1 3.83Å; R442-L446 HydrophobicContact CG-CG 4.37Å; R442-L446 WeakPolarHBondContact O-CG 3.21Å; R442-L446 PolarHBondContact O-N 3.44Å; R442-L497 HydrophobicContact CG-CD1 4.14Å; R442-L497 HydrophobicContact CG-CD2 4.46Å; R442-L497 HydrophobicContact CG-CG 4.36Å
443D96.8Very high94.3Very high22 Ų2247.7 Ų47.712%0.11820%0.203CC..Hα-helixtrans-63.4-35.1-178.1-67.4-18.4000111.5K439 F440 L441 R447 R448 R449K439-D443 VanDerWaalsContact O-CG 3.27Å; K439-D443 PolarHBondContact O-N 2.78Å; F440-D443 PolarHBondContact O-N 3.31Å; F440-D443 VanDerWaalsContact O-N 3.15Å; L441-D443 VanDerWaalsContact C-N 3.35Å; L441-D443 PolarHBondContact O-N 3.36Å; D443-R447 PolarHBondContact O-N 3.04Å; D443-R448 HydrophobicContact CB-CB 4.16Å; D443-R448 WeakPolarHBondContact O-CB 3.43Å; D443-R448 PolarHBondContact O-N 3.29Å; D443-R449 HydrophobicContact CB-CG 4.28Å; D443-R449 PolarHBondContact O-N 3.1Å
444C96.4Very high94.1Very high1 Ų148 Ų481%0.00721%0.206CC..Hα-helixtrans-64.9-44.1171.6-65.50000113F440 L441 R442 L446 R447 R449 L451 L481F440-C444 WeakPolarHBondContact CE1-SG 3.5Å; F440-C444 PolarHBondContact O-N 3.05Å; F440-C444 PolarHBondContact O-SG 2.87Å; F440-C444 VanDerWaalsContact O-SG 3.33Å; L441-C444 PolarHBondContact O-N 3.03Å; R442-C444 VanDerWaalsContact C-N 3.25Å; R442-C444 PolarHBondContact O-N 3.41Å; C444-L446 VanDerWaalsContact C-N 3.33Å; C444-L446 PolarHBondContact O-N 3.43Å; C444-R447 PolarHBondContact O-N 2.93Å; C444-R449 VanDerWaalsContact CA-O 3.31Å; C444-R449 WeakPolarHBondContact CA-O 3.39Å; C444-L451 HydrophobicContact CB-CB 4.18Å; C444-L481 HydrophobicContact CB-CD1 3.71Å
445L96.3Very high93.7Very high0 Ų048.3 Ų48.30%021%0.207CC..Hα-helixtrans-64.7-38.4178.6-69.3169.1000111.8I401 L402 L441 R442 R447 L481 R489 A492 A493 L496I401-L445 HydrophobicContact CG2-CD2 3.6Å; L402-L445 HydrophobicContact CD2-CD1 4.34Å; L441-L445 HydrophobicContact CD1-CD1 4.24Å; L441-L445 HydrophobicContact CD1-CG 4.22Å; L441-L445 HydrophobicContact CG-CD1 4.14Å; L441-L445 VanDerWaalsContact O-CG 3.29Å; L441-L445 WeakPolarHBondContact O-CG 3.48Å; L441-L445 PolarHBondContact O-N 3.36Å; R442-L445 PolarHBondContact O-N 3.15Å; R442-L445 VanDerWaalsContact O-N 3.15Å; L445-R447 PolarHBondContact O-N 3.41Å; L445-L481 HydrophobicContact CD2-CD1 4.34Å; L445-L481 HydrophobicContact CD2-CD2 4.43Å; L445-R489 HydrophobicContact CB-CB 4.42Å; L445-R489 HydrophobicContact CD2-CB 4.22Å; L445-R489 HydrophobicContact CD2-CG 4.41Å; L445-R489 VanDerWaalsContact O-CB 3.29Å; L445-R489 WeakPolarHBondContact O-CB 3.44Å; L445-A492 HydrophobicContact CD1-CB 4.35Å; L445-A492 HydrophobicContact CD2-CB 4.45Å; L445-A493 HydrophobicContact CB-CB 3.84Å; L445-A493 HydrophobicContact CD1-CB 4.09Å; L445-L496 HydrophobicContact CD1-CD2 4.32Å
446L95.3Very high93.4Very high52 Ų5245.9 Ų45.927%0.27220%0.196SC..THydrogen-bonded Turntrans-81.912.6178.6-62.4178.6000113.9R442 C444 R448 E490 A493R442-L446 HydrophobicContact CG-CD1 3.83Å; R442-L446 HydrophobicContact CG-CG 4.37Å; R442-L446 WeakPolarHBondContact O-CG 3.21Å; R442-L446 PolarHBondContact O-N 3.44Å; C444-L446 VanDerWaalsContact C-N 3.33Å; C444-L446 PolarHBondContact O-N 3.43Å; L446-R448 HydrophobicContact CB-CG 4.15Å; L446-R448 PolarHBondContact O-N 3.32Å; L446-E490 HydrophobicContact CD2-CG 4.15Å; L446-A493 HydrophobicContact CD2-CB 3.8Å; L446-A493 HydrophobicContact CG-CB 4.03Å
447R90.8Very high92.9Very high138 Ų13842.9 Ų42.952%0.52119%0.187SC..THydrogen-bonded Turntrans53.124.7-176.5-65.1-170.7-180171.81.7114.9D443 C444 L445 R449 L486D443-R447 PolarHBondContact O-N 3.04Å; C444-R447 PolarHBondContact O-N 2.93Å; L445-R447 PolarHBondContact O-N 3.41Å; R447-R449 VanDerWaalsContact C-N 3.29Å; R447-L486 HydrophobicContact CG-CD1 3.99Å
448R92.3Very high92.2Very high173 Ų17346.6 Ų46.665%0.65321%0.211SC*.SBendtrans-79.8-20.5172.2-60.9179.9-179.7-169.5-3.8111.4D443 L446D443-R448 HydrophobicContact CB-CB 4.16Å; D443-R448 WeakPolarHBondContact O-CB 3.43Å; D443-R448 PolarHBondContact O-N 3.29Å; L446-R448 HydrophobicContact CB-CG 4.15Å; L446-R448 PolarHBondContact O-N 3.32Å
449R91.3Very high91Very high133 Ų13350.6 Ų50.650%0.50225%0.253SS..SBendtrans-145.6148.3176.8-65.8-173.9175.6-172.1-2.8109.3D443 C444 R447D443-R449 HydrophobicContact CB-CG 4.28Å; D443-R449 PolarHBondContact O-N 3.1Å; C444-R449 VanDerWaalsContact CA-O 3.31Å; C444-R449 WeakPolarHBondContact CA-O 3.39Å; R447-R449 VanDerWaalsContact C-N 3.29Å
450D91.1Very high89.7Confident95 Ų9547.3 Ų47.351%0.50825%0.246SC..  trans-86.8147.1173.6-63-37.1000110.8F452D450-F452 HydrophobicContact CB-CD2 4Å; D450-F452 HydrophobicContact CB-CE1 4.23Å; D450-F452 HydrophobicContact CB-CE2 3.41Å; D450-F452 VanDerWaalsContact CB-CE2 3.41Å; D450-F452 HydrophobicContact CB-CZ 3.53Å
451L93.8Very high88.5Confident1 Ų147 Ų471%0.00525%0.245CC..  trans-111.583.9174.5-174.268.1000109.9V406 T409 V410 F440 C444 L480 L481V406-L451 HydrophobicContact CG1-CD2 3.75Å; T409-L451 HydrophobicContact CG2-CD1 3.95Å; T409-L451 HydrophobicContact CG2-CG 4.16Å; V410-L451 HydrophobicContact CG2-CD1 3.73Å; V410-L451 HydrophobicContact CG2-CD2 3.85Å; V410-L451 HydrophobicContact CG2-CG 4.48Å; F440-L451 HydrophobicContact CE1-CD1 4.01Å; C444-L451 HydrophobicContact CB-CB 4.18Å; L451-L480 PolarHBondContact O-N 2.98Å; L451-L481 HydrophobicContact CB-CD1 4.07Å; L451-L481 HydrophobicContact CB-CG 4.18Å; L451-L481 HydrophobicContact CD2-CD1 4.3Å; L451-L481 HydrophobicContact CD2-CG 4.18Å
452F92.1Very high87.1Confident63 Ų6349.3 Ų49.328%0.27626%0.264SS..BIsolated β-bridgetrans-75.3148.5177.2-61.4-67.6000112.4T409 D450 C454 P458 P477 V478 D479T409-F452 VanDerWaalsContact CG2-O 3.26Å; T409-F452 WeakPolarHBondContact CG2-O 3.31Å; D450-F452 HydrophobicContact CB-CD2 4Å; D450-F452 HydrophobicContact CB-CE1 4.23Å; D450-F452 HydrophobicContact CB-CE2 3.41Å; D450-F452 VanDerWaalsContact CB-CE2 3.41Å; D450-F452 HydrophobicContact CB-CZ 3.53Å; F452-C454 PolarHBondContact O-N 3.43Å; F452-P458 HydrophobicContact CD1-CG 4.31Å; F452-P458 VanDerWaalsContact CD2-CD 3.45Å; F452-P458 HydrophobicContact CD2-CG 3.79Å; F452-P458 HydrophobicContact CE1-CG 4.32Å; F452-P458 HydrophobicContact CE2-CG 3.77Å; F452-P458 HydrophobicContact CG-CG 4.07Å; F452-P458 HydrophobicContact CZ-CG 4.06Å; F452-P477 HydrophobicContact CD1-CB 4.14Å; F452-P477 HydrophobicContact CE1-CB 4.19Å; F452-V478 CarbonylContact C-O 3.59Å; F452-V478 VanDerWaalsContact CA-O 3.3Å; F452-V478 WeakPolarHBondContact CA-O 3.35Å; F452-D479 HydrophobicContact CD1-CB 4.14Å; F452-D479 HydrophobicContact CE1-CB 4.11Å
453H91.1Very high85.9Confident9 Ų950.9 Ų50.94%0.04229%0.291CS..  trans-57.6132.7167.3-176.2-29.3000110T351 E355 Y405 V455 L456 G457 V478 L480T351-H453 PolarHBondContact OG1-CE1 3.47Å; T351-H453 PolarHBondContact OG1-NE2 3.39Å; E355-H453 IonicContact OE1-CE1 3.59Å; E355-H453 PolarHBondContact OE1-CE1 3.03Å; E355-H453 IonicContact OE1-NE2 3Å; Y405-H453 PolarHBondContact OH-CD2 3.09Å; Y405-H453 VanDerWaalsContact OH-CD2 3.26Å; Y405-H453 PolarHBondContact OH-CE1 2.87Å; Y405-H453 PolarHBondContact OH-ND1 3.42Å; Y405-H453 PolarHBondContact OH-NE2 3.45Å; H453-V455 VanDerWaalsContact C-N 3.27Å; H453-V455 PolarHBondContact ND1-N 3.17Å; H453-V455 VanDerWaalsContact ND1-N 3.16Å; H453-V455 PolarHBondContact O-N 3.24Å; H453-V455 VanDerWaalsContact O-N 3.13Å; H453-L456 HydrophobicContact CB-CB 4.14Å; H453-L456 PolarHBondContact O-N 3.04Å; H453-G457 WeakPolarHBondContact O-CA 3.23Å; H453-G457 PolarHBondContact O-N 2.86Å; H453-V478 HydrophobicContact CB-CB 4.16Å; H453-V478 HydrophobicContact CB-CG1 4.42Å; H453-V478 PolarHBondContact N-O 3.37Å; H453-L480 HydrophobicContact CB-CD2 4.07Å; H453-L480 HydrophobicContact CB-CG 4.47Å
454C87.9Confident85.1Confident9 Ų953.1 Ų53.16%0.06130%0.3CS..THydrogen-bonded Turntrans-58.6-29.2-176.1-54.10000116L358 L412 F452 A461L358-C454 HydrophobicContact CD2-CB 4.02Å; L412-C454 WeakPolarHBondContact CB-SG 3.33Å; F452-C454 PolarHBondContact O-N 3.43Å; C454-A461 PolarHBondContact O-N 2.9Å; C454-A461 VanDerWaalsContact O-N 3.09Å
455V87.6Confident84.3Confident6 Ų653.3 Ų53.34%0.03630%0.301CS..THydrogen-bonded Turntrans-99.5-39.6-177.6-177.10000110.9T351 Q354 E355 H453 L468T351-V455 HydrophobicContact CG2-CB 4.36Å; T351-V455 HydrophobicContact CG2-CG1 4.22Å; Q354-V455 HydrophobicContact CB-CG1 4.33Å; Q354-V455 HydrophobicContact CB-CG2 3.9Å; Q354-V455 HydrophobicContact CG-CG1 4.49Å; E355-V455 HydrophobicContact CG-CG2 4.29Å; H453-V455 VanDerWaalsContact C-N 3.27Å; H453-V455 PolarHBondContact ND1-N 3.17Å; H453-V455 VanDerWaalsContact ND1-N 3.16Å; H453-V455 PolarHBondContact O-N 3.24Å; H453-V455 VanDerWaalsContact O-N 3.13Å; V455-L468 HydrophobicContact CG1-CD1 3.67Å; V455-L468 HydrophobicContact CG1-CD2 3.73Å; V455-L468 HydrophobicContact CG1-CG 4.33Å
456L86.6Confident83.4Confident16 Ų1654.5 Ų54.58%0.08431%0.313CS..THydrogen-bonded Turntrans-99.518-177.1-55.2178.4000112.5V349 T351 H453 L472 P477 V478V349-L456 HydrophobicContact CB-CD1 4.37Å; V349-L456 HydrophobicContact CG1-CD1 4.27Å; T351-L456 HydrophobicContact CG2-CD1 4.49Å; T351-L456 HydrophobicContact CG2-CG 4.41Å; H453-L456 HydrophobicContact CB-CB 4.14Å; H453-L456 PolarHBondContact O-N 3.04Å; L456-L472 HydrophobicContact CD2-CB 4.12Å; L456-L472 HydrophobicContact CD2-CD2 3.88Å; L456-L472 HydrophobicContact CD2-CG 3.95Å; L456-P477 CarbonylContact O-C 3.52Å; L456-P477 VanDerWaalsContact O-CA 3.25Å; L456-P477 WeakPolarHBondContact O-CA 3.32Å; L456-V478 HydrophobicContact CB-CB 4.27Å; L456-V478 HydrophobicContact CB-CG2 4.02Å; L456-V478 HydrophobicContact CD1-CG2 4.23Å; L456-V478 PolarHBondContact O-N 3.23Å
457G84.3Confident82.8Confident13 Ų1356.5 Ų56.513%0.13433%0.329CS..SBendtrans-93.9173.4179.100000112.3H453 G459 G460H453-G457 WeakPolarHBondContact O-CA 3.23Å; H453-G457 PolarHBondContact O-N 2.86Å; G457-G459 PolarHBondContact O-N 2.77Å; G457-G460 PolarHBondContact O-N 2.83Å
458P81.4Confident82.6Confident78 Ų7850.5 Ų50.551%0.50631%0.308SS..THydrogen-bonded Turntrans-59.9127.1174.9-1630.4000109.8F452 G460 P477F452-P458 HydrophobicContact CD1-CG 4.31Å; F452-P458 VanDerWaalsContact CD2-CD 3.45Å; F452-P458 HydrophobicContact CD2-CG 3.79Å; F452-P458 HydrophobicContact CE1-CG 4.32Å; F452-P458 HydrophobicContact CE2-CG 3.77Å; F452-P458 HydrophobicContact CG-CG 4.07Å; F452-P458 HydrophobicContact CZ-CG 4.06Å; P458-G460 PolarHBondContact O-N 3.34Å; P458-P477 HydrophobicContact CG-CB 3.81Å; P458-P477 HydrophobicContact CG-CG 3.95Å
459G71.4Confident82.3Confident88 Ų8843 Ų4391%0.90728%0.281SS*.THydrogen-bonded Turntrans60.630.9-176.800000113.5G457G457-G459 PolarHBondContact O-N 2.77Å
460G68.3Low82.2Confident23 Ų2343 Ų4324%0.23729%0.285CS..  trans-47.2158.9-175.200000113.8G457 P458 A462G457-G460 PolarHBondContact O-N 2.83Å; P458-G460 PolarHBondContact O-N 3.34Å; G460-A462 PolarHBondContact O-N 3.23Å
461A69.5Low81.9Confident6 Ų639.4 Ų39.45%0.0527%0.269CS..SBendtrans-67.538.1-168.600000115.5L358 C454 A463 E464 V465L358-A461 HydrophobicContact CD1-CB 4.13Å; L358-A461 HydrophobicContact CD2-CB 4.26Å; C454-A461 PolarHBondContact O-N 2.9Å; C454-A461 VanDerWaalsContact O-N 3.09Å; A461-A463 PolarHBondContact O-N 2.94Å; A461-E464 WeakPolarHBondContact CA-OE2 3.48Å; A461-E464 WeakPolarHBondContact CB-OE2 3.3Å; A461-E464 PolarHBondContact O-N 3.15Å; A461-V465 HydrophobicContact CB-CG2 4Å; A461-V465 WeakPolarHBondContact O-CB 3.29Å; A461-V465 WeakPolarHBondContact O-CG2 3.2Å; A461-V465 PolarHBondContact O-N 2.9Å
462A67.6Low81.6Confident49 Ų4939.7 Ų39.741%0.40527%0.27SS..Hα-helixtrans-61.9-31.1-17900000111.9G460 E464 G466G460-A462 PolarHBondContact O-N 3.23Å; A462-E464 VanDerWaalsContact C-N 3.32Å; A462-G466 PolarHBondContact O-N 3.48Å
463A72.3Confident81.3Confident94 Ų9445.2 Ų45.278%0.77729%0.289SS*.Hα-helixtrans-64.5-38.4176.200000111.7A461A461-A463 PolarHBondContact O-N 2.94Å
464E79.4Confident81Confident69 Ų6951.1 Ų51.132%0.32232%0.317SS..Hα-helixtrans-88.3-26.8-176.4-59.571.5-158.500112.1L358 W361 A461 A462L358-E464 HydrophobicContact CD1-CB 4.07Å; W361-E464 HydrophobicContact CD2-CB 4.3Å; W361-E464 HydrophobicContact CD2-CG 4.05Å; W361-E464 HydrophobicContact CE3-CG 4.3Å; W361-E464 HydrophobicContact CG-CB 4.4Å; W361-E464 HydrophobicContact CH2-CG 4.25Å; W361-E464 HydrophobicContact CZ2-CG 3.97Å; W361-E464 HydrophobicContact CZ3-CG 4.4Å; A461-E464 WeakPolarHBondContact CA-OE2 3.48Å; A461-E464 WeakPolarHBondContact CB-OE2 3.3Å; A461-E464 PolarHBondContact O-N 3.15Å; A462-E464 VanDerWaalsContact C-N 3.32Å
465V79.4Confident80.9Confident5 Ų551.7 Ų51.73%0.0332%0.322CS..Hα-helixtrans-109-16.9-166-177.90000113.6Q354 K357 L358 A461Q354-V465 VanDerWaalsContact C-CG1 3.5Å; Q354-V465 HydrophobicContact CB-CG1 3.24Å; Q354-V465 HydrophobicContact CG-CG1 3.53Å; Q354-V465 WeakPolarHBondContact O-CG1 3.41Å; K357-V465 HydrophobicContact CB-CG1 4.37Å; K357-V465 HydrophobicContact CD-CG1 4.38Å; K357-V465 WeakPolarHBondContact CD-O 3.4Å; K357-V465 PolarHBondContact NZ-O 3.06Å; L358-V465 HydrophobicContact CB-CG2 3.76Å; L358-V465 HydrophobicContact CD1-CG2 4.2Å; L358-V465 HydrophobicContact CG-CG2 4.44Å; A461-V465 HydrophobicContact CB-CG2 4Å; A461-V465 WeakPolarHBondContact O-CB 3.29Å; A461-V465 WeakPolarHBondContact O-CG2 3.2Å; A461-V465 PolarHBondContact O-N 2.9Å
466G78.3Confident80.9Confident24 Ų2452.6 Ų52.625%0.24733%0.33CS..  trans96.2-171.117700000113.8A462A462-G466 PolarHBondContact O-N 3.48Å
467P82.5Confident80.9Confident94 Ų9455.2 Ų55.261%0.6135%0.348SS*.  trans-64145.9-172.426.7-34.5000111.9D317D317-P467 VanDerWaalsContact CB-O 3.28Å; D317-P467 WeakPolarHBondContact CB-O 3.26Å
468L85.4Confident81.1Confident13 Ų1355.3 Ų55.37%0.06835%0.346CS..  trans-116.5147.2174-66.9173.5000110V319 Q354 V455 R473V319-L468 HydrophobicContact CG2-CD2 4.24Å; Q354-L468 HydrophobicContact CG-CD2 3.99Å; V455-L468 HydrophobicContact CG1-CD1 3.67Å; V455-L468 HydrophobicContact CG1-CD2 3.73Å; V455-L468 HydrophobicContact CG1-CG 4.33Å; L468-R473 HydrophobicContact CB-CG 3.83Å; L468-R473 PolarHBondContact O-NE 2.97Å
469P87.8Confident81.5Confident15 Ų1553.2 Ų53.210%0.09733%0.331CS..  trans-54.8145174-25.134.5000111.4V319 A471 L472 R473V319-P469 HydrophobicContact CB-CG 4.16Å; V319-P469 HydrophobicContact CG2-CG 4.08Å; P469-A471 VanDerWaalsContact C-N 3.27Å; P469-A471 PolarHBondContact O-N 2.79Å; P469-L472 HydrophobicContact CB-CD1 4.48Å; P469-L472 PolarHBondContact O-N 3.26Å; P469-R473 PolarHBondContact O-N 2.95Å; P469-R473 VanDerWaalsContact O-N 3.15Å
470K87.8Confident82.5Confident133 Ų13350.2 Ų50.258%0.57829%0.294SS*.Hα-helixtrans-50.2-46.3-177.2-175.9-179.8175-177.10112.6L472 R473 E474K470-L472 PolarHBondContact O-N 2.85Å; K470-L472 VanDerWaalsContact O-N 3.16Å; K470-R473 PolarHBondContact O-N 3.15Å; K470-R473 VanDerWaalsContact O-N 3.09Å; K470-E474 VanDerWaalsContact CE-CD 3.48Å; K470-E474 WeakPolarHBondContact CE-OE1 3.25Å; K470-E474 HydrophobicContact CG-CG 4.47Å; K470-E474 WeakPolarHBondContact CG-OE1 3.12Å; K470-E474 IonicContact NZ-OE1 2.71Å; K470-E474 PolarHBondContact O-N 3.41Å
471A86Confident83.6Confident20 Ų2049.2 Ų49.217%0.16528%0.283CS..Hα-helixtrans-60.8-25.4-18000000114.5P190 P469P190-A471 HydrophobicContact CB-CB 4.26Å; P190-A471 HydrophobicContact CG-CB 3.74Å; P190-A471 WeakPolarHBondContact O-CB 3.49Å; P469-A471 VanDerWaalsContact C-N 3.27Å; P469-A471 PolarHBondContact O-N 2.79Å
472L86.6Confident84.5Confident7 Ų750.1 Ų50.14%0.03729%0.29CS..Hα-helixtrans-85.7-36.5175.4-8865.8000111.6F207 L315 V319 V349 L456 P469 K470 E474 A475F207-L472 HydrophobicContact CE1-CD1 4.09Å; F207-L472 HydrophobicContact CZ-CD1 4.36Å; F207-L472 HydrophobicContact CZ-CG 4.44Å; L315-L472 HydrophobicContact CD1-CD1 4.21Å; V319-L472 HydrophobicContact CB-CD2 4.31Å; V319-L472 HydrophobicContact CG1-CD1 4.4Å; V319-L472 HydrophobicContact CG1-CD2 3.52Å; V319-L472 HydrophobicContact CG2-CD2 3.9Å; V349-L472 HydrophobicContact CG1-CD2 3.9Å; V349-L472 HydrophobicContact CG1-CG 4.47Å; L456-L472 HydrophobicContact CD2-CB 4.12Å; L456-L472 HydrophobicContact CD2-CD2 3.88Å; L456-L472 HydrophobicContact CD2-CG 3.95Å; P469-L472 HydrophobicContact CB-CD1 4.48Å; P469-L472 PolarHBondContact O-N 3.26Å; K470-L472 PolarHBondContact O-N 2.85Å; K470-L472 VanDerWaalsContact O-N 3.16Å; L472-E474 PolarHBondContact O-N 3.34Å; L472-A475 WeakPolarHBondContact O-CB 3.32Å; L472-A475 PolarHBondContact O-N 3.49Å
473R86.1Confident85.4Confident178 Ų17849.5 Ų49.567%0.67228%0.282SS*.Hα-helixtrans-64.3-31.8176.5-70.1-171.7-75.1159.41.1112.5L468 P469 K470L468-R473 HydrophobicContact CB-CG 3.83Å; L468-R473 PolarHBondContact O-NE 2.97Å; P469-R473 PolarHBondContact O-N 2.95Å; P469-R473 VanDerWaalsContact O-N 3.15Å; K470-R473 PolarHBondContact O-N 3.15Å; K470-R473 VanDerWaalsContact O-N 3.09Å
474E85.8Confident86.2Confident134 Ų13446.2 Ų46.263%0.62625%0.25SS*.THydrogen-bonded Turntrans-90.5-4.8178.5-65.4172.6171.100113K470 L472K470-E474 VanDerWaalsContact CE-CD 3.48Å; K470-E474 WeakPolarHBondContact CE-OE1 3.25Å; K470-E474 HydrophobicContact CG-CG 4.47Å; K470-E474 WeakPolarHBondContact CG-OE1 3.12Å; K470-E474 IonicContact NZ-OE1 2.71Å; K470-E474 PolarHBondContact O-N 3.41Å; L472-E474 PolarHBondContact O-N 3.34Å
475A85.9Confident86.6Confident20 Ų2046.7 Ų46.717%0.16526%0.255CS..SBendtrans-72.3147.4-179.700000111.5F207 L472F207-A475 HydrophobicContact CE1-CB 4.35Å; F207-A475 HydrophobicContact CZ-CB 3.91Å; L472-A475 WeakPolarHBondContact O-CB 3.32Å; L472-A475 PolarHBondContact O-N 3.49Å
476A86.2Confident87.2Confident25 Ų2549.3 Ų49.321%0.20727%0.268CS..PPolyproline II helixtrans-62.2147172.300000111.1T195 V478T195-A476 HydrophobicContact CG2-CB 4.15Å; A476-V478 PolarHBondContact O-N 2.95Å
477P87.8Confident87.8Confident71 Ų7153.9 Ų53.946%0.46128%0.283SS..PPolyproline II helixtrans-58136.6178.4-26.334.6000113.5F452 L456 P458F452-P477 HydrophobicContact CD1-CB 4.14Å; F452-P477 HydrophobicContact CE1-CB 4.19Å; L456-P477 CarbonylContact O-C 3.52Å; L456-P477 VanDerWaalsContact O-CA 3.25Å; L456-P477 WeakPolarHBondContact O-CA 3.32Å; P458-P477 HydrophobicContact CG-CB 3.81Å; P458-P477 HydrophobicContact CG-CG 3.95Å
478V88.4Confident88.3Confident16 Ų1649.7 Ų49.710%0.09726%0.256CS..  trans-97.2108.8-176.8177.50000111F452 H453 L456 A476 L480F452-V478 CarbonylContact C-O 3.59Å; F452-V478 VanDerWaalsContact CA-O 3.3Å; F452-V478 WeakPolarHBondContact CA-O 3.35Å; H453-V478 HydrophobicContact CB-CB 4.16Å; H453-V478 HydrophobicContact CB-CG1 4.42Å; H453-V478 PolarHBondContact N-O 3.37Å; L456-V478 HydrophobicContact CB-CB 4.27Å; L456-V478 HydrophobicContact CB-CG2 4.02Å; L456-V478 HydrophobicContact CD1-CG2 4.23Å; L456-V478 PolarHBondContact O-N 3.23Å; A476-V478 PolarHBondContact O-N 2.95Å; V478-L480 HydrophobicContact CG1-CD2 4.33Å
479D90.1Very high88.7Confident34 Ų3449.4 Ų49.418%0.18226%0.255CS..BIsolated β-bridgetrans-81121.7165.5172.818000110F452 L481 A482F452-D479 HydrophobicContact CD1-CB 4.14Å; F452-D479 HydrophobicContact CE1-CB 4.11Å; D479-L481 VanDerWaalsContact C-N 3.3Å; D479-L481 PolarHBondContact O-N 3.15Å; D479-L481 PolarHBondContact OD1-N 3.28Å; D479-A482 HydrophobicContact CB-CB 3.91Å; D479-A482 WeakPolarHBondContact OD2-CB 3.39Å; D479-A482 PolarHBondContact OD2-N 3.3Å; D479-A482 VanDerWaalsContact OD2-N 3.09Å
480L90.9Very high89.1Confident25 Ų2552.7 Ų52.713%0.13127%0.268CS..SBendtrans-72-25.2-178.1-62.8-175.3000113.1Y405 V406 T409 L451 H453 V478 P483Y405-L480 HydrophobicContact CD1-CD1 4.03Å; Y405-L480 HydrophobicContact CD1-CD2 4.4Å; Y405-L480 HydrophobicContact CE1-CD1 3.71Å; Y405-L480 HydrophobicContact CE1-CD2 3.76Å; Y405-L480 HydrophobicContact CE1-CG 4.42Å; V406-L480 HydrophobicContact CG2-CB 4.47Å; T409-L480 HydrophobicContact CG2-CD1 3.61Å; T409-L480 WeakPolarHBondContact OG1-CD1 3.46Å; L451-L480 PolarHBondContact O-N 2.98Å; H453-L480 HydrophobicContact CB-CD2 4.07Å; H453-L480 HydrophobicContact CB-CG 4.47Å; V478-L480 HydrophobicContact CG1-CD2 4.33Å; L480-P483 WeakPolarHBondContact O-CD 3.45Å
481L91.8Very high89.4Confident1 Ų151.1 Ų51.11%0.00527%0.266CS..SBendtrans-90.7-24.5-178.5-63.7179.7000111.6V406 C444 L445 L451 D479 P483 F484 R489V406-L481 HydrophobicContact CG1-CD2 4.33Å; V406-L481 HydrophobicContact CG2-CD2 4.5Å; C444-L481 HydrophobicContact CB-CD1 3.71Å; L445-L481 HydrophobicContact CD2-CD1 4.34Å; L445-L481 HydrophobicContact CD2-CD2 4.43Å; L451-L481 HydrophobicContact CB-CD1 4.07Å; L451-L481 HydrophobicContact CB-CG 4.18Å; L451-L481 HydrophobicContact CD2-CD1 4.3Å; L451-L481 HydrophobicContact CD2-CG 4.18Å; D479-L481 VanDerWaalsContact C-N 3.3Å; D479-L481 PolarHBondContact O-N 3.15Å; D479-L481 PolarHBondContact OD1-N 3.28Å; L481-P483 VanDerWaalsContact C-N 3.25Å; L481-P483 WeakPolarHBondContact O-CD 3.37Å; L481-F484 HydrophobicContact CD2-CD2 4.39Å; L481-F484 WeakPolarHBondContact O-CD2 3.29Å; L481-F484 PolarHBondContact O-N 3.47Å; L481-R489 VanDerWaalsContact CB-NH1 3.3Å; L481-R489 PolarHBondContact O-NE 3.37Å; L481-R489 PolarHBondContact O-NH2 3.41Å
482A88Confident89.8Confident25 Ų2550.3 Ų50.321%0.20726%0.26CS..THydrogen-bonded Turntrans-37.6-41.7177.900000116P201 D479 F484 R489P201-A482 HydrophobicContact CB-CB 4.36Å; P201-A482 WeakPolarHBondContact CB-O 3.21Å; D479-A482 HydrophobicContact CB-CB 3.91Å; D479-A482 WeakPolarHBondContact OD2-CB 3.39Å; D479-A482 PolarHBondContact OD2-N 3.3Å; D479-A482 VanDerWaalsContact OD2-N 3.09Å; A482-F484 VanDerWaalsContact C-N 3.25Å; A482-F484 PolarHBondContact O-N 2.88Å; A482-R489 VanDerWaalsContact CA-NH2 3.25Å; A482-R489 PolarHBondContact O-NH2 3.29Å
483P86.4Confident90.3Very high37 Ų3750.1 Ų50.124%0.2426%0.259CS..THydrogen-bonded Turntrans-65.1-20.6179.4-23.535.9000115.5A202 P328 L480 L481A202-P483 HydrophobicContact CB-CB 3.97Å; P328-P483 HydrophobicContact CG-CB 4.38Å; P328-P483 WeakPolarHBondContact CG-O 3.25Å; L480-P483 WeakPolarHBondContact O-CD 3.45Å; L481-P483 VanDerWaalsContact C-N 3.25Å; L481-P483 WeakPolarHBondContact O-CD 3.37Å
484F88.9Confident90.8Very high24 Ų2444.5 Ų44.511%0.10525%0.251CS..SBendtrans-92139.8-176.4-57.2-78.3000111.4P328 R400 I401 L481 A482 R489P328-F484 HydrophobicContact CB-CD1 4Å; P328-F484 HydrophobicContact CB-CE1 3.97Å; P328-F484 HydrophobicContact CG-CD1 4.25Å; P328-F484 HydrophobicContact CG-CE1 4.4Å; R400-F484 HydrophobicContact CB-CE1 4.02Å; R400-F484 HydrophobicContact CB-CZ 4.31Å; I401-F484 HydrophobicContact CD1-CD1 4.33Å; I401-F484 HydrophobicContact CG1-CB 4.43Å; I401-F484 HydrophobicContact CG1-CD1 3.47Å; I401-F484 VanDerWaalsContact CG1-CD1 3.47Å; I401-F484 HydrophobicContact CG1-CD2 4.35Å; I401-F484 HydrophobicContact CG1-CE1 3.69Å; I401-F484 HydrophobicContact CG1-CG 3.83Å; I401-F484 HydrophobicContact CG1-CZ 4.24Å; L481-F484 HydrophobicContact CD2-CD2 4.39Å; L481-F484 WeakPolarHBondContact O-CD2 3.29Å; L481-F484 PolarHBondContact O-N 3.47Å; A482-F484 VanDerWaalsContact C-N 3.25Å; A482-F484 PolarHBondContact O-N 2.88Å; F484-R489 HydrophobicContact CB-CG 4.02Å; F484-R489 VanDerWaalsContact O-CZ 3.29Å; F484-R489 PolarHBondContact O-NE 3.28Å; F484-R489 PolarHBondContact O-NH2 3.27Å
485D89Confident91.2Very high79 Ų7942 Ų4242%0.42224%0.236SC..  trans-63.4151.7174.265.2-78.1000111.5H487 A488 R489D485-H487 PolarHBondContact O-N 3.15Å; D485-A488 VanDerWaalsContact CG-CB 3.45Å; D485-A488 WeakPolarHBondContact OD1-CB 3.37Å; D485-A488 WeakPolarHBondContact OD2-CB 3.44Å; D485-A488 PolarHBondContact OD2-N 2.91Å; D485-R489 WeakPolarHBondContact O-CG 3.47Å; D485-R489 PolarHBondContact O-N 3.12Å
486L90.8Very high91.7Very high60 Ų6041.3 Ų41.331%0.31423%0.229SC..Hα-helixtrans-64-42.8-175178.558.2000111.6R447 A488 R489 E490R447-L486 HydrophobicContact CG-CD1 3.99Å; L486-A488 PolarHBondContact O-N 3.01Å; L486-R489 WeakPolarHBondContact O-CB 3.31Å; L486-R489 PolarHBondContact O-N 3.08Å; L486-R489 VanDerWaalsContact O-N 3.08Å; L486-E490 HydrophobicContact CD1-CG 4.15Å; L486-E490 HydrophobicContact CG-CG 4.34Å; L486-E490 WeakPolarHBondContact O-CG 3.37Å; L486-E490 PolarHBondContact O-N 2.77Å
487H92.5Very high92.2Very high120 Ų12042.2 Ų42.256%0.55623%0.23SC*.Hα-helixtrans-60.1-45-177.9-176.764.9000112.1D485 R489 E490 L491D485-H487 PolarHBondContact O-N 3.15Å; H487-R489 VanDerWaalsContact C-N 3.31Å; H487-R489 PolarHBondContact O-N 2.86Å; H487-E490 PolarHBondContact O-N 2.87Å; H487-L491 WeakPolarHBondContact O-CG 3.44Å; H487-L491 PolarHBondContact O-N 3.23Å
488A91.8Very high92.5Very high6 Ų641.1 Ų41.15%0.0522%0.224CC..Hα-helixtrans-63.8-36175.400000112.9I401 D485 L486 A492I401-A488 HydrophobicContact CD1-CB 3.98Å; D485-A488 VanDerWaalsContact CG-CB 3.45Å; D485-A488 WeakPolarHBondContact OD1-CB 3.37Å; D485-A488 WeakPolarHBondContact OD2-CB 3.44Å; D485-A488 PolarHBondContact OD2-N 2.91Å; L486-A488 PolarHBondContact O-N 3.01Å; A488-A492 VanDerWaalsContact O-CB 3.32Å; A488-A492 WeakPolarHBondContact O-CB 3.46Å; A488-A492 PolarHBondContact O-N 2.77Å
489R94.5Very high92.8Very high8 Ų841 Ų413%0.0322%0.222CC..Hα-helixtrans-66.8-40.6174.1-64.3-177.4-150.5-173.112.5111.4L445 L481 A482 F484 D485 L486 H487 A492 A493L445-R489 HydrophobicContact CB-CB 4.42Å; L445-R489 HydrophobicContact CD2-CB 4.22Å; L445-R489 HydrophobicContact CD2-CG 4.41Å; L445-R489 VanDerWaalsContact O-CB 3.29Å; L445-R489 WeakPolarHBondContact O-CB 3.44Å; L481-R489 VanDerWaalsContact CB-NH1 3.3Å; L481-R489 PolarHBondContact O-NE 3.37Å; L481-R489 PolarHBondContact O-NH2 3.41Å; A482-R489 VanDerWaalsContact CA-NH2 3.25Å; A482-R489 PolarHBondContact O-NH2 3.29Å; F484-R489 HydrophobicContact CB-CG 4.02Å; F484-R489 VanDerWaalsContact O-CZ 3.29Å; F484-R489 PolarHBondContact O-NE 3.28Å; F484-R489 PolarHBondContact O-NH2 3.27Å; D485-R489 WeakPolarHBondContact O-CG 3.47Å; D485-R489 PolarHBondContact O-N 3.12Å; L486-R489 WeakPolarHBondContact O-CB 3.31Å; L486-R489 PolarHBondContact O-N 3.08Å; L486-R489 VanDerWaalsContact O-N 3.08Å; H487-R489 VanDerWaalsContact C-N 3.31Å; H487-R489 PolarHBondContact O-N 2.86Å; R489-A492 WeakPolarHBondContact O-CB 3.14Å; R489-A492 PolarHBondContact O-N 3.26Å; R489-A493 WeakPolarHBondContact O-CB 3.31Å; R489-A493 PolarHBondContact O-N 3.17Å
490E95.4Very high93Very high83 Ų8341.3 Ų41.339%0.38822%0.221SC..Hα-helixtrans-64.5-45.7177.1-72.3172164.700111.6L446 L486 H487 A492 A493 A494L446-E490 HydrophobicContact CD2-CG 4.15Å; L486-E490 HydrophobicContact CD1-CG 4.15Å; L486-E490 HydrophobicContact CG-CG 4.34Å; L486-E490 WeakPolarHBondContact O-CG 3.37Å; L486-E490 PolarHBondContact O-N 2.77Å; H487-E490 PolarHBondContact O-N 2.87Å; E490-A492 VanDerWaalsContact C-N 3.29Å; E490-A492 PolarHBondContact O-N 2.97Å; E490-A493 WeakPolarHBondContact O-CB 3.41Å; E490-A493 PolarHBondContact O-N 2.98Å; E490-A493 VanDerWaalsContact O-N 3.11Å; E490-A494 WeakPolarHBondContact O-CB 3.36Å; E490-A494 PolarHBondContact O-N 3.36Å
491L94.5Very high93.1Very high100 Ų10049.5 Ų49.552%0.52425%0.251SS..Hα-helixtrans-58.5-42.1172.5-72.5174.7000111.5H487 A494 R495H487-L491 WeakPolarHBondContact O-CG 3.44Å; H487-L491 PolarHBondContact O-N 3.23Å; L491-A494 PolarHBondContact O-N 3.17Å; L491-R495 VanDerWaalsContact O-CB 3.31Å; L491-R495 WeakPolarHBondContact O-CB 3.48Å; L491-R495 PolarHBondContact O-N 3.29Å
492A95.4Very high93.2Very high4 Ų455.6 Ų55.63%0.03327%0.273CS..Hα-helixtrans-64.1-40.1175.500000111.8W398 I401 L445 A488 R489 E490 L496W398-A492 HydrophobicContact CE3-CB 4.15Å; W398-A492 HydrophobicContact CZ3-CB 4.08Å; W398-A492 WeakPolarHBondContact CZ3-O 2.85Å; I401-A492 HydrophobicContact CD1-CB 4.3Å; I401-A492 HydrophobicContact CG2-CB 4.16Å; L445-A492 HydrophobicContact CD1-CB 4.35Å; L445-A492 HydrophobicContact CD2-CB 4.45Å; A488-A492 VanDerWaalsContact O-CB 3.32Å; A488-A492 WeakPolarHBondContact O-CB 3.46Å; A488-A492 PolarHBondContact O-N 2.77Å; R489-A492 WeakPolarHBondContact O-CB 3.14Å; R489-A492 PolarHBondContact O-N 3.26Å; E490-A492 VanDerWaalsContact C-N 3.29Å; E490-A492 PolarHBondContact O-N 2.97Å; A492-L496 VanDerWaalsContact O-CB 3.25Å; A492-L496 WeakPolarHBondContact O-CB 3.48Å; A492-L496 PolarHBondContact O-N 3.25Å
493A96.4Very high93.4Very high2 Ų254.4 Ų54.42%0.01726%0.264CS..Hα-helixtrans-65.3-47.3176.800000111.8L445 L446 R489 E490 R495 L496 L497L445-A493 HydrophobicContact CB-CB 3.84Å; L445-A493 HydrophobicContact CD1-CB 4.09Å; L446-A493 HydrophobicContact CD2-CB 3.8Å; L446-A493 HydrophobicContact CG-CB 4.03Å; R489-A493 WeakPolarHBondContact O-CB 3.31Å; R489-A493 PolarHBondContact O-N 3.17Å; E490-A493 WeakPolarHBondContact O-CB 3.41Å; E490-A493 PolarHBondContact O-N 2.98Å; E490-A493 VanDerWaalsContact O-N 3.11Å; A493-R495 VanDerWaalsContact C-N 3.32Å; A493-R495 PolarHBondContact O-N 3.06Å; A493-L496 PolarHBondContact O-N 2.95Å; A493-L497 WeakPolarHBondContact O-CG 3.46Å; A493-L497 PolarHBondContact O-N 3.47Å
494A95.7Very high93.6Very high61 Ų6154.3 Ų54.350%0.50426%0.263SS..Hα-helixtrans-59.1-45.1177.700000111.2E490 L491 L497 S498E490-A494 WeakPolarHBondContact O-CB 3.36Å; E490-A494 PolarHBondContact O-N 3.36Å; L491-A494 PolarHBondContact O-N 3.17Å; A494-L497 PolarHBondContact O-N 3.4Å; A494-S498 WeakPolarHBondContact O-CB 3.24Å; A494-S498 PolarHBondContact O-N 3.23Å
495R95.5Very high93.7Very high82 Ų8258.2 Ų58.231%0.30928%0.281SS..Hα-helixtrans-67.2-42.3177.8-172.1172.7-171.495.70.7112.3G386 R388 L390 W398 L491 A493 L497 S498 I499G386-R495 VanDerWaalsContact O-CZ 3.24Å; G386-R495 PolarHBondContact O-NE 3.4Å; G386-R495 PolarHBondContact O-NH2 3.5Å; R388-R495 PolarHBondContact O-NH2 2.88Å; R388-R495 VanDerWaalsContact O-NH2 3.08Å; L390-R495 VanDerWaalsContact CD2-NH1 3.31Å; W398-R495 HydrophobicContact CH2-CB 4.16Å; W398-R495 HydrophobicContact CH2-CG 4.03Å; W398-R495 HydrophobicContact CZ3-CB 3.74Å; W398-R495 HydrophobicContact CZ3-CG 3.9Å; L491-R495 VanDerWaalsContact O-CB 3.31Å; L491-R495 WeakPolarHBondContact O-CB 3.48Å; L491-R495 PolarHBondContact O-N 3.29Å; A493-R495 VanDerWaalsContact C-N 3.32Å; A493-R495 PolarHBondContact O-N 3.06Å; R495-L497 VanDerWaalsContact C-N 3.3Å; R495-L497 PolarHBondContact O-N 2.95Å; R495-S498 WeakPolarHBondContact O-CB 3.33Å; R495-S498 PolarHBondContact O-N 2.91Å; R495-I499 HydrophobicContact CG-CD1 4.04Å; R495-I499 VanDerWaalsContact O-CD1 3.29Å; R495-I499 WeakPolarHBondContact O-CD1 3.18Å; R495-I499 VanDerWaalsContact O-CG1 3.24Å; R495-I499 WeakPolarHBondContact O-CG1 3.15Å; R495-I499 PolarHBondContact O-N 3.41Å
496L96.5Very high93.8Very high4 Ų455.4 Ų55.42%0.02127%0.266CS..Hα-helixtrans-56.7-44.9174.3178.565.8000111.3W398 V438 L441 L445 A492 A493 I499 W500W398-L496 HydrophobicContact CH2-CB 4.24Å; V438-L496 HydrophobicContact CG1-CD1 4.48Å; V438-L496 HydrophobicContact CG1-CD2 4.22Å; V438-L496 HydrophobicContact CG1-CG 4.11Å; L441-L496 HydrophobicContact CB-CD2 4.25Å; L441-L496 HydrophobicContact CD2-CD2 3.58Å; L441-L496 HydrophobicContact CG-CD2 3.76Å; L445-L496 HydrophobicContact CD1-CD2 4.32Å; A492-L496 VanDerWaalsContact O-CB 3.25Å; A492-L496 WeakPolarHBondContact O-CB 3.48Å; A492-L496 PolarHBondContact O-N 3.25Å; A493-L496 PolarHBondContact O-N 2.95Å; L496-I499 PolarHBondContact O-N 3.37Å; L496-W500 WeakPolarHBondContact O-CB 3.41Å; L496-W500 PolarHBondContact O-N 2.89Å
497L95.1Very high93.7Very high44 Ų4452.8 Ų52.823%0.2325%0.252CS..Hα-helixtrans-66.2-40.6176.7-74.2176.4000112.8R442 A493 A494 R495 I499 W500 R501R442-L497 HydrophobicContact CG-CD1 4.14Å; R442-L497 HydrophobicContact CG-CD2 4.46Å; R442-L497 HydrophobicContact CG-CG 4.36Å; A493-L497 WeakPolarHBondContact O-CG 3.46Å; A493-L497 PolarHBondContact O-N 3.47Å; A494-L497 PolarHBondContact O-N 3.4Å; R495-L497 VanDerWaalsContact C-N 3.3Å; R495-L497 PolarHBondContact O-N 2.95Å; L497-I499 VanDerWaalsContact C-N 3.32Å; L497-I499 PolarHBondContact O-N 2.96Å; L497-W500 PolarHBondContact O-N 3.3Å; L497-R501 WeakPolarHBondContact O-CB 3.49Å; L497-R501 WeakPolarHBondContact O-CG 3.31Å; L497-R501 PolarHBondContact O-N 3.43Å
498S94.6Very high93.4Very high49 Ų4951.8 Ų51.834%0.34324%0.244SC..Hα-helixtrans-59.9-43.7175.2-177.40000111.5A494 R495 R501 R502A494-S498 WeakPolarHBondContact O-CB 3.24Å; A494-S498 PolarHBondContact O-N 3.23Å; R495-S498 WeakPolarHBondContact O-CB 3.33Å; R495-S498 PolarHBondContact O-N 2.91Å; S498-R501 PolarHBondContact O-N 2.98Å; S498-R502 WeakPolarHBondContact O-CB 3.45Å; S498-R502 WeakPolarHBondContact O-CG 3.48Å; S498-R502 PolarHBondContact O-N 3.39Å
499I94.4Very high93.1Very high12 Ų1255 Ų556%0.06227%0.27CS..Hα-helixtrans-63.2-44.8175.4-64.9154.6000110.7L382 W398 R495 L496 L497 R502 L503 L506L382-I499 HydrophobicContact CD2-CG2 4.48Å; W398-I499 HydrophobicContact CH2-CD1 3.83Å; W398-I499 HydrophobicContact CZ2-CD1 3.81Å; R495-I499 HydrophobicContact CG-CD1 4.04Å; R495-I499 VanDerWaalsContact O-CD1 3.29Å; R495-I499 WeakPolarHBondContact O-CD1 3.18Å; R495-I499 VanDerWaalsContact O-CG1 3.24Å; R495-I499 WeakPolarHBondContact O-CG1 3.15Å; R495-I499 PolarHBondContact O-N 3.41Å; L496-I499 PolarHBondContact O-N 3.37Å; L497-I499 VanDerWaalsContact C-N 3.32Å; L497-I499 PolarHBondContact O-N 2.96Å; I499-R502 CarbonylContact O-C 3.42Å; I499-R502 PolarHBondContact O-N 3.28Å; I499-L503 WeakPolarHBondContact O-CA 3.44Å; I499-L503 PolarHBondContact O-N 3.5Å; I499-L506 HydrophobicContact CG2-CD1 3.95Å
500W94.8Very high92.5Very high42 Ų4259.4 Ų59.416%0.15929%0.288CS..Hα-helixtrans-61.6-46.7179.2-174.2-104.1000112.2L382 L434 E435 V438 L496 L497 R502 L503L382-W500 HydrophobicContact CD1-CE3 4.06Å; L382-W500 HydrophobicContact CD1-CZ3 4.04Å; L434-W500 HydrophobicContact CB-CH2 4.04Å; L434-W500 HydrophobicContact CB-CZ3 4.35Å; L434-W500 HydrophobicContact CD2-CH2 4.02Å; L434-W500 HydrophobicContact CD2-CZ3 3.68Å; L434-W500 HydrophobicContact CG-CH2 3.84Å; L434-W500 HydrophobicContact CG-CZ3 3.63Å; E435-W500 HydrophobicContact CB-CH2 4.08Å; E435-W500 HydrophobicContact CB-CZ2 3.49Å; E435-W500 VanDerWaalsContact CB-CZ2 3.49Å; E435-W500 HydrophobicContact CG-CZ2 3.68Å; V438-W500 HydrophobicContact CB-CD2 4.39Å; V438-W500 HydrophobicContact CB-CE3 4.3Å; V438-W500 HydrophobicContact CG1-CB 4.23Å; V438-W500 HydrophobicContact CG1-CD2 4.13Å; V438-W500 HydrophobicContact CG1-CE3 4.32Å; V438-W500 HydrophobicContact CG1-CG 4.08Å; V438-W500 HydrophobicContact CG2-CD2 4.28Å; V438-W500 HydrophobicContact CG2-CE3 3.7Å; V438-W500 HydrophobicContact CG2-CZ3 3.9Å; L496-W500 WeakPolarHBondContact O-CB 3.41Å; L496-W500 PolarHBondContact O-N 2.89Å; L497-W500 PolarHBondContact O-N 3.3Å; W500-R502 VanDerWaalsContact C-N 3.27Å; W500-R502 PolarHBondContact O-N 2.97Å; W500-L503 HydrophobicContact CE3-CD2 3.77Å; W500-L503 HydrophobicContact CH2-CD2 4.25Å; W500-L503 HydrophobicContact CZ3-CD2 3.61Å; W500-L503 WeakPolarHBondContact O-CB 3.29Å; W500-L503 PolarHBondContact O-N 2.92Å
501R93.9Very high91.1Very high197 Ų19755.8 Ų55.874%0.74327%0.272SS*.Hα-helixtrans-61.6-36176.8-72.5175.1179.6174.20.2112.4L497 S498 L503L497-R501 WeakPolarHBondContact O-CB 3.49Å; L497-R501 WeakPolarHBondContact O-CG 3.31Å; L497-R501 PolarHBondContact O-N 3.43Å; S498-R501 PolarHBondContact O-N 2.98Å; R501-L503 VanDerWaalsContact C-N 3.33Å
502R93.1Very high89.5Confident129 Ų12952.5 Ų52.549%0.48726%0.263SS..THydrogen-bonded Turntrans-92.511.3179.6-68.3169.943.5-174-7.3113.7S498 I499 W500 Q505 L506S498-R502 WeakPolarHBondContact O-CB 3.45Å; S498-R502 WeakPolarHBondContact O-CG 3.48Å; S498-R502 PolarHBondContact O-N 3.39Å; I499-R502 CarbonylContact O-C 3.42Å; I499-R502 PolarHBondContact O-N 3.28Å; W500-R502 VanDerWaalsContact C-N 3.27Å; W500-R502 PolarHBondContact O-N 2.97Å; R502-Q505 PolarHBondContact O-N 3.11Å; R502-Q505 PolarHBondContact O-OE1 2.84Å; R502-L506 HydrophobicContact CB-CD1 4.23Å; R502-L506 HydrophobicContact CB-CG 4.37Å; R502-L506 VanDerWaalsContact O-CG 3.31Å; R502-L506 WeakPolarHBondContact O-CG 3.43Å; R502-L506 PolarHBondContact O-N 3.22Å
503L92.5Very high87.4Confident0 Ų053.8 Ų53.80%027%0.271CS..Hα-helixtrans-60.3-48.6-169.5-179.357.3000112.7L97 L101 L382 I499 W500 R501 Q505 L506 L507L97-L503 HydrophobicContact CD1-CD2 4.08Å; L97-L503 HydrophobicContact CD1-CG 4.08Å; L101-L503 HydrophobicContact CD2-CD2 4.23Å; L382-L503 HydrophobicContact CD2-CD1 3.29Å; L382-L503 HydrophobicContact CD2-CD2 4.29Å; L382-L503 HydrophobicContact CD2-CG 4.43Å; I499-L503 WeakPolarHBondContact O-CA 3.44Å; I499-L503 PolarHBondContact O-N 3.5Å; W500-L503 HydrophobicContact CE3-CD2 3.77Å; W500-L503 HydrophobicContact CH2-CD2 4.25Å; W500-L503 HydrophobicContact CZ3-CD2 3.61Å; W500-L503 WeakPolarHBondContact O-CB 3.29Å; W500-L503 PolarHBondContact O-N 2.92Å; R501-L503 VanDerWaalsContact C-N 3.33Å; L503-Q505 VanDerWaalsContact C-N 3.27Å; L503-Q505 PolarHBondContact O-N 2.85Å; L503-L506 PolarHBondContact O-N 2.9Å; L503-L506 VanDerWaalsContact O-N 3.12Å; L503-L507 HydrophobicContact CD1-CD1 3.93Å; L503-L507 HydrophobicContact CD1-CD2 3.83Å; L503-L507 HydrophobicContact CD1-CG 3.65Å; L503-L507 HydrophobicContact CG-CD1 3.88Å; L503-L507 HydrophobicContact CG-CG 4.08Å; L503-L507 VanDerWaalsContact O-CG 3.3Å; L503-L507 WeakPolarHBondContact O-CG 2.95Å; L503-L507 PolarHBondContact O-N 3.41Å
504P90.6Very high85.1Confident34 Ų3461.9 Ų61.922%0.22130%0.301CS..Hα-helixtrans-55.3-41.9178.4-23.532.3000113L97 L100 R508L97-P504 HydrophobicContact CD1-CG 4.22Å; L100-P504 HydrophobicContact CD1-CB 4.13Å; P504-R508 VanDerWaalsContact O-CG 3.27Å; P504-R508 WeakPolarHBondContact O-CG 3.38Å; P504-R508 PolarHBondContact O-N 3.08Å; P504-R508 VanDerWaalsContact O-N 3.1Å
505Q90.5Very high82.4Confident106 Ų10667.7 Ų67.750%0.49531%0.311SS..Hα-helixtrans-67.4-41.8179.3-58.684.8-6.600111.4R502 L503 R508 A509R502-Q505 PolarHBondContact O-N 3.11Å; R502-Q505 PolarHBondContact O-OE1 2.84Å; L503-Q505 VanDerWaalsContact C-N 3.27Å; L503-Q505 PolarHBondContact O-N 2.85Å; Q505-R508 PolarHBondContact O-N 3.25Å; Q505-A509 WeakPolarHBondContact O-CB 3.44Å; Q505-A509 PolarHBondContact O-N 3.48Å
506L90.4Very high79.7Confident21 Ų2170.5 Ų70.511%0.1133%0.332CS..Hα-helixtrans-65.6-42.7177.5-68.6172.4000111.7I499 R502 L503 R508 A509 Y510I499-L506 HydrophobicContact CG2-CD1 3.95Å; R502-L506 HydrophobicContact CB-CD1 4.23Å; R502-L506 HydrophobicContact CB-CG 4.37Å; R502-L506 VanDerWaalsContact O-CG 3.31Å; R502-L506 WeakPolarHBondContact O-CG 3.43Å; R502-L506 PolarHBondContact O-N 3.22Å; L503-L506 PolarHBondContact O-N 2.9Å; L503-L506 VanDerWaalsContact O-N 3.12Å; L506-R508 VanDerWaalsContact C-N 3.31Å; L506-R508 PolarHBondContact O-N 3.41Å; L506-A509 PolarHBondContact O-N 2.64Å; L506-Y510 HydrophobicContact CB-CD2 4.44Å; L506-Y510 HydrophobicContact CD2-CD2 4.24Å; L506-Y510 HydrophobicContact CD2-CE2 3.8Å; L506-Y510 WeakPolarHBondContact O-CB 3.41Å; L506-Y510 WeakPolarHBondContact O-CD2 3.48Å; L506-Y510 PolarHBondContact O-N 2.94Å
507L90.2Very high76.9Confident4 Ų474.1 Ų74.12%0.02136%0.362CS..Hα-helixtrans-64.7-35.7177.5-63.5179.3000111.8L97 L100 L101 Y104 L503 G511L97-L507 HydrophobicContact CD1-CD1 3.99Å; L100-L507 HydrophobicContact CB-CB 4.18Å; L100-L507 HydrophobicContact CB-CD1 3.86Å; L101-L507 HydrophobicContact CD2-CD1 3.69Å; L101-L507 HydrophobicContact CG-CD1 3.9Å; Y104-L507 HydrophobicContact CD1-CD2 3.49Å; Y104-L507 VanDerWaalsContact CD1-CD2 3.49Å; Y104-L507 HydrophobicContact CD2-CD2 4.08Å; Y104-L507 HydrophobicContact CE1-CD2 4.03Å; Y104-L507 HydrophobicContact CG-CD2 3.51Å; L503-L507 HydrophobicContact CD1-CD1 3.93Å; L503-L507 HydrophobicContact CD1-CD2 3.83Å; L503-L507 HydrophobicContact CD1-CG 3.65Å; L503-L507 HydrophobicContact CG-CD1 3.88Å; L503-L507 HydrophobicContact CG-CG 4.08Å; L503-L507 VanDerWaalsContact O-CG 3.3Å; L503-L507 WeakPolarHBondContact O-CG 2.95Å; L503-L507 PolarHBondContact O-N 3.41Å; L507-G511 WeakPolarHBondContact O-CA 3.43Å; L507-G511 PolarHBondContact O-N 3.28Å
508R86.6Confident74.1Confident100 Ų10083.9 Ų83.938%0.37740%0.396SS..Hα-helixtrans-67.6-43.2174.1-69.3169.7-163.7159.1-1111.9E94 L100 P504 Q505 L506E94-R508 IonicContact OE2-CZ 2.82Å; E94-R508 IonicContact OE2-NH1 3.7Å; E94-R508 IonicContact OE2-NH2 2.96Å; E94-R508 PolarHBondContact OE2-NH2 2.76Å; L100-R508 HydrophobicContact CD1-CG 4.25Å; L100-R508 HydrophobicContact CD2-CG 3.98Å; P504-R508 VanDerWaalsContact O-CG 3.27Å; P504-R508 WeakPolarHBondContact O-CG 3.38Å; P504-R508 PolarHBondContact O-N 3.08Å; P504-R508 VanDerWaalsContact O-N 3.1Å; Q505-R508 PolarHBondContact O-N 3.25Å; L506-R508 VanDerWaalsContact C-N 3.31Å; L506-R508 PolarHBondContact O-N 3.41Å
509A85.3Confident71Confident73 Ų7387 Ų8760%0.60342%0.416SS*.Hα-helixtrans-68.1-35-179.300000113Q505 L506Q505-A509 WeakPolarHBondContact O-CB 3.44Å; Q505-A509 PolarHBondContact O-N 3.48Å; L506-A509 PolarHBondContact O-N 2.64Å
510Y80.3Confident68.1Low101 Ų10192.1 Ų92.140%0.39645%0.45SS..Hα-helixtrans-115.9-11.3-170.7-62-65.9000115.1L385 L506L385-Y510 HydrophobicContact CD2-CD2 3.83Å; L385-Y510 HydrophobicContact CD2-CE2 4.48Å; L385-Y510 HydrophobicContact CD2-CG 4.05Å; L506-Y510 HydrophobicContact CB-CD2 4.44Å; L506-Y510 HydrophobicContact CD2-CD2 4.24Å; L506-Y510 HydrophobicContact CD2-CE2 3.8Å; L506-Y510 WeakPolarHBondContact O-CB 3.41Å; L506-Y510 WeakPolarHBondContact O-CD2 3.48Å; L506-Y510 PolarHBondContact O-N 2.94Å
511G67.8Low65.2Low6 Ų696.1 Ų96.16%0.06248%0.479CS..SBendtrans-105.77.7-179.700000114.6L507L507-G511 WeakPolarHBondContact O-CA 3.43Å; L507-G511 PolarHBondContact O-N 3.28Å
512G60Low62.3Low32 Ų3292.9 Ų92.933%0.3348%0.484SS..SBendtrans-63.613417200000110.7R514G512-R514 PolarHBondContact O-N 3.05Å
513P50.6Low59.5Low30 Ų3098.1 Ų98.120%0.19550%0.504CS..  trans-56.7132.3170.9-16.426000109.6Y515 L516P513-Y515 HydrophobicContact CB-CD1 4.42Å; P513-Y515 HydrophobicContact CB-CD2 3.41Å; P513-Y515 VanDerWaalsContact CB-CD2 3.41Å; P513-Y515 HydrophobicContact CB-CE1 4.06Å; P513-Y515 HydrophobicContact CB-CE2 2.98Å; P513-Y515 HydrophobicContact CB-CG 4.11Å; P513-Y515 HydrophobicContact CG-CD2 4.39Å; P513-Y515 HydrophobicContact CG-CE2 3.87Å; P513-Y515 PolarHBondContact O-N 2.98Å; P513-L516 PolarHBondContact O-N 2.97Å
514R49.4Very low57Low172 Ų172103.3 Ų103.365%0.64954%0.54SS*.THydrogen-bonded Turntrans-57.6-7.6-173.4-64-177-173.7-173.8-0.9114.9E108 G512E108-R514 IonicContact OE1-CZ 2.88Å; E108-R514 IonicContact OE1-NE 3.77Å; E108-R514 PolarHBondContact OE1-NE 3.2Å; E108-R514 IonicContact OE1-NH2 3.97Å; E108-R514 PolarHBondContact OE1-NH2 3.02Å; E108-R514 IonicContact OE2-NH2 3.64Å; E108-R514 PolarHBondContact OE2-NH2 3.43Å; G512-R514 PolarHBondContact O-N 3.05Å
515Y38.1Very low54.3Low183 Ų183110.8 Ų110.872%0.71857%0.572SS**THydrogen-bonded Turntrans-79.5-11.9172.611.7-76.4000114.2P513P513-Y515 HydrophobicContact CB-CD1 4.42Å; P513-Y515 HydrophobicContact CB-CD2 3.41Å; P513-Y515 VanDerWaalsContact CB-CD2 3.41Å; P513-Y515 HydrophobicContact CB-CE1 4.06Å; P513-Y515 HydrophobicContact CB-CE2 2.98Å; P513-Y515 HydrophobicContact CB-CG 4.11Å; P513-Y515 HydrophobicContact CG-CD2 4.39Å; P513-Y515 HydrophobicContact CG-CE2 3.87Å; P513-Y515 PolarHBondContact O-N 2.98Å
516L39.4Very low51.5Low142 Ų142116.6 Ų116.674%0.74359%0.589SS**SBendtrans-95.9-4.7172.5-67.1175.3000113.4P513 R518P513-L516 PolarHBondContact O-N 2.97Å; L516-R518 PolarHBondContact O-N 2.96Å
517A37.5Very low49.1Very low80 Ų80123.4 Ų123.466%0.66162%0.624SS**  trans-95.164.8177.600000112.1
518R36.2Very low46.3Very low249 Ų249132.4 Ų132.494%0.9467%0.666SS**  trans-126.567150.1-90.6-167.6-174.5-179.12.9108.7L516L516-R518 PolarHBondContact O-N 2.96Å
519C29.2Very low43.5Very low114 Ų114130.9 Ų130.977%0.7768%0.682SS**SBendtrans-113.8137.2147.9-78.90000107.1
520P33.3Very low41.1Very low120 Ų120136.7 Ų136.778%0.77969%0.694SS**  trans-64.5144.8-171.329.2-35.5000110.4
521T35.6Very low38.9Very low125 Ų125137.6 Ų137.677%0.76771%0.712SS**  trans-45.8129.5167.542.20000110.8R523T521-R523 PolarHBondContact O-N 3.26Å; T521-R523 VanDerWaalsContact O-N 3.15Å
522P32.9Very low37.5Very low130 Ų130146 Ų14684%0.84475%0.75SS**  trans-68.4116.816811.9-4000108.5
523R33.3Very low36.3Very low239 Ų239151.6 Ų151.690%0.90277%0.772SS**  trans-57.9132.4161.8-79.2176.8167.2169.1-5.1108.8T521T521-R523 PolarHBondContact O-N 3.26Å; T521-R523 VanDerWaalsContact O-N 3.15Å
524S40.2Very low35.3Very low109 Ų109158.9 Ų158.976%0.76280%0.804SS**  trans37.898.8148.2175.80000117.8
525Q33Very low34.7Very low190 Ų190160.3 Ų160.389%0.88884%0.835SS**  trans-132.195.7146.1-71.9-177.6-11.100105.7
526R32.5Very low34.5Very low228 Ų228159.2 Ų159.286%0.8684%0.841SS**  45.599.393.4-127.8-176.2-157.5-179.24.6112.1
527I39.7Very low34.2Very low165 Ų165160.1 Ų160.185%0.84685%0.846SS**  trans26.599.3149.7-49.2174.6000114.6
528Q30.6Very low34.1Very low192 Ų192164.6 Ų164.690%0.89786%0.857SS**  trans-134.3108.3150.1-125.3171.910.800106.8
529G29.5Very low33.9Very low68 Ų68159.6 Ų159.670%0.70185%0.852SS**  trans-60.5145.3177.100000110.7
530F34.6Very low34.2Very low195 Ų195162.4 Ų162.486%0.85586%0.857SS**  trans-66.2139160.8-88.4-93.9000108.1E532F530-E532 PolarHBondContact O-N 3.14Å; F530-E532 VanDerWaalsContact O-N 3.14Å
531P33Very low34.3Very low121 Ų121165.3 Ų165.379%0.78686%0.862SS**  trans-67.7113.2168.116.2-8.6000107.9D533P531-D533 PolarHBondContact O-N 3.37Å
532E38.4Very low34.2Very low182 Ų182168.1 Ų168.185%0.8587%0.869SS**  trans-64.8109.7148.9-68.3-176.4148.600105.5F530F530-E532 PolarHBondContact O-N 3.14Å; F530-E532 VanDerWaalsContact O-N 3.14Å
533D34.7Very low34.3Very low150 Ų150171.1 Ų171.180%0.80287%0.871SS**  trans171.9137.4136.5-88.7-27.5000112.1P531P531-D533 PolarHBondContact O-N 3.37Å
534E29.4Very low34.4Very low183 Ų183165.4 Ų165.486%0.85587%0.868SS**  trans78.7141.8159.2-67.8-169.5163.500120.6
535P36.9Very low33.8Very low202 Ų202170.5 Ų170.5100%1.31288%0.878SS**  -111.40-72.329-13.6000113.1

Retrieved 535 of 535 residues in 115.7 ms (Link to these results)