A0A3Q0KH30_SCHMA Loading...

Ae-1 binding protein aebp2, putative

AlphaFold DB , UniProt , Accession A0A3Q0KH30, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 414 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
1M38.8Very low43.8Very low233 Ų233136.5 Ų136.5100%1.14874%0.737SS**  0117.30-72.9175.2168.900108.1
2T37Very low45.5Very low128 Ų128132 Ų13279%0.78572%0.723SS**  trans-134.8108.6179.244.10000108.4T4T2-T4 PolarHBondContact O-N 3.13Å
3H39.9Very low46.9Very low180 Ų180125.7 Ų125.783%0.83369%0.688SS**  trans-76.988.5178-73.2-90.2000110.2V5H3-V5 PolarHBondContact O-N 3.14Å; H3-V5 VanDerWaalsContact O-N 3.08Å
4T38.1Very low48.5Very low130 Ų130117.1 Ų117.180%0.79864%0.641SS**  trans-69.6101.5163.643.40000108.9T2 C6T2-T4 PolarHBondContact O-N 3.13Å; T4-C6 PolarHBondContact O-N 3.03Å
5V36.8Very low49.4Very low125 Ų125115.7 Ų115.776%0.75864%0.637SS**  trans-66.397.5175179.20000108.6H3 T7H3-V5 PolarHBondContact O-N 3.14Å; H3-V5 VanDerWaalsContact O-N 3.08Å; V5-T7 PolarHBondContact O-N 3.11Å; V5-T7 VanDerWaalsContact O-N 3.07Å
6C38.1Very low50.2Low114 Ų114115.7 Ų115.777%0.7763%0.625SS**  trans-66.1107.9168.4-171.50000108.1T4 Q8T4-C6 PolarHBondContact O-N 3.03Å; C6-Q8 PolarHBondContact O-N 2.82Å; C6-Q8 VanDerWaalsContact O-N 3.08Å
7T40Very low51.3Low100 Ų100108.9 Ų108.961%0.61359%0.588SS**  trans-63.6110.7179.8490000109.4V5 L9V5-T7 PolarHBondContact O-N 3.11Å; V5-T7 VanDerWaalsContact O-N 3.07Å; T7-L9 PolarHBondContact O-N 3.29Å
8Q44.6Very low52.2Low159 Ų159109.4 Ų109.474%0.74358%0.58SS**  trans-67.580.4176.4-66.7-177.24.800110.8C6 K10C6-Q8 PolarHBondContact O-N 2.82Å; C6-Q8 VanDerWaalsContact O-N 3.08Å; Q8-K10 VanDerWaalsContact C-N 3.31Å; Q8-K10 PolarHBondContact O-N 3.41Å
9L48.4Very low53Low149 Ų149106.7 Ų106.778%0.7858%0.575SS**  trans-70.489.4170.9-67.9177.5000108.6T7T7-L9 PolarHBondContact O-N 3.29Å
10K59.7Low53.6Low149 Ų149105.6 Ų105.665%0.64857%0.568SS**PPolyproline II helixtrans-61.8138.3176.8-68.1175-178.5174.70109.6Q8Q8-K10 VanDerWaalsContact C-N 3.31Å; Q8-K10 PolarHBondContact O-N 3.41Å
11P60.4Low54.1Low35 Ų35103.3 Ų103.323%0.22756%0.558CS.*PPolyproline II helixtrans-56.8148.6177-21.830.8000111.7L13 F368 F381P11-L13 PolarHBondContact O-N 3.3Å; P11-F368 HydrophobicContact CB-CD2 4.3Å; P11-F368 HydrophobicContact CB-CE1 4.25Å; P11-F368 HydrophobicContact CB-CE2 3.73Å; P11-F368 HydrophobicContact CB-CZ 3.72Å; P11-F368 HydrophobicContact CG-CD1 4.35Å; P11-F368 HydrophobicContact CG-CD2 4.39Å; P11-F368 HydrophobicContact CG-CE1 4.18Å; P11-F368 HydrophobicContact CG-CE2 4.23Å; P11-F368 HydrophobicContact CG-CG 4.47Å; P11-F368 HydrophobicContact CG-CZ 4.15Å; P11-F368 VanDerWaalsContact O-CE2 3.27Å; P11-F368 WeakPolarHBondContact O-CE2 3.42Å; P11-F381 HydrophobicContact CG-CD1 3.9Å; P11-F381 HydrophobicContact CG-CD2 4.33Å; P11-F381 HydrophobicContact CG-CE1 3.64Å; P11-F381 HydrophobicContact CG-CE2 4.08Å; P11-F381 HydrophobicContact CG-CG 4.23Å; P11-F381 HydrophobicContact CG-CZ 3.74Å
12S63.7Low55.3Low82 Ų8297.2 Ų97.257%0.57353%0.53SS*.PPolyproline II helixtrans-60.1120.3-179.2130.60000110.3R18S12-R18 PolarHBondContact OG-NH2 2.8Å
13L64.9Low56.7Low50 Ų5096.7 Ų96.726%0.26252%0.517SS..PPolyproline II helixtrans-62.8142.7177.1-64.7175.3000111.4P11 T17 R18 F368P11-L13 PolarHBondContact O-N 3.3Å; L13-T17 HydrophobicContact CB-CG2 4.21Å; L13-T17 HydrophobicContact CD1-CG2 4.04Å; L13-T17 HydrophobicContact CD2-CG2 4.23Å; L13-T17 HydrophobicContact CG-CG2 4.4Å; L13-R18 HydrophobicContact CB-CG 4.19Å; L13-R18 PolarHBondContact O-NE 3.28Å; L13-R18 PolarHBondContact O-NH2 3.29Å; L13-F368 HydrophobicContact CD2-CD2 3.81Å; L13-F368 HydrophobicContact CD2-CE2 3.77Å
14S68.4Low57.8Low5 Ų591.1 Ų91.14%0.03550%0.498CS..  trans-45.6142.6170.8162.10000112.9R16 T17 R18 E411S14-R16 PolarHBondContact O-N 3.23Å; S14-R16 VanDerWaalsContact O-N 3.12Å; S14-R16 WeakPolarHBondContact OG-CB 3.49Å; S14-R16 PolarHBondContact OG-N 3.49Å; S14-R16 VanDerWaalsContact OG-N 3.11Å; S14-T17 WeakPolarHBondContact O-CA 3.48Å; S14-T17 WeakPolarHBondContact O-CB 3.49Å; S14-T17 PolarHBondContact O-N 3.22Å; S14-R18 WeakPolarHBondContact O-CG 3.34Å; S14-R18 PolarHBondContact O-N 3.1Å; S14-E411 WeakPolarHBondContact CA-OE2 3.44Å; S14-E411 WeakPolarHBondContact CB-OE1 3.11Å; S14-E411 PolarHBondContact OG-OE1 2.71Å
15V61.8Low58.9Low96 Ų9691.3 Ų91.358%0.58249%0.49SS*.Hα-helixtrans-50.8-37.2173.1177.50000111.4R18 A19 E411V15-R18 PolarHBondContact O-N 3.02Å; V15-A19 WeakPolarHBondContact O-CB 3.49Å; V15-A19 PolarHBondContact O-N 3.46Å; V15-E411 PolarHBondContact N-OE2 3.31Å
16R62.4Low60Low116 Ų11689 Ų8944%0.43848%0.476SS..Hα-helixtrans-68.1-39.8177.8-167.2-176.5-174.597.9-6.7112.1S14 L20 T363 P365S14-R16 PolarHBondContact O-N 3.23Å; S14-R16 VanDerWaalsContact O-N 3.12Å; S14-R16 WeakPolarHBondContact OG-CB 3.49Å; S14-R16 PolarHBondContact OG-N 3.49Å; S14-R16 VanDerWaalsContact OG-N 3.11Å; R16-L20 PolarHBondContact O-N 2.84Å; R16-T363 PolarHBondContact NE-O 3.37Å; R16-P365 HydrophobicContact CG-CG 4.46Å
17T68.3Low61.2Low1 Ų192 Ų921%0.00647%0.471CS..Hα-helixtrans-67.8-43.4174.2-58.10000111.1L13 S14 A19 L20 T21 H366L13-T17 HydrophobicContact CB-CG2 4.21Å; L13-T17 HydrophobicContact CD1-CG2 4.04Å; L13-T17 HydrophobicContact CD2-CG2 4.23Å; L13-T17 HydrophobicContact CG-CG2 4.4Å; S14-T17 WeakPolarHBondContact O-CA 3.48Å; S14-T17 WeakPolarHBondContact O-CB 3.49Å; S14-T17 PolarHBondContact O-N 3.22Å; T17-A19 VanDerWaalsContact C-N 3.32Å; T17-A19 PolarHBondContact O-N 2.85Å; T17-L20 PolarHBondContact O-N 3.15Å; T17-L20 VanDerWaalsContact O-N 3.16Å; T17-T21 HydrophobicContact CG2-CG2 4.44Å; T17-T21 PolarHBondContact O-N 2.83Å; T17-T21 PolarHBondContact O-OG1 2.97Å; T17-H366 VanDerWaalsContact CG2-O 3.24Å; T17-H366 WeakPolarHBondContact CG2-O 3.33Å; T17-H366 PolarHBondContact OG1-N 2.94Å; T17-H366 PolarHBondContact OG1-O 2.68Å
18R68.5Low62.2Low117 Ų11792.3 Ų92.344%0.44247%0.469SS..Hα-helixtrans-58.1-43.2174.1-63.8-177.6-162.1-162.86.4111.6S12 L13 S14 V15 L20 T21 N22S12-R18 PolarHBondContact OG-NH2 2.8Å; L13-R18 HydrophobicContact CB-CG 4.19Å; L13-R18 PolarHBondContact O-NE 3.28Å; L13-R18 PolarHBondContact O-NH2 3.29Å; S14-R18 WeakPolarHBondContact O-CG 3.34Å; S14-R18 PolarHBondContact O-N 3.1Å; V15-R18 PolarHBondContact O-N 3.02Å; R18-L20 VanDerWaalsContact C-N 3.33Å; R18-L20 PolarHBondContact O-N 3.2Å; R18-T21 WeakPolarHBondContact CA-OG1 3.4Å; R18-T21 PolarHBondContact O-N 2.77Å; R18-T21 PolarHBondContact O-OG1 3.23Å; R18-N22 WeakPolarHBondContact O-CB 3.42Å; R18-N22 PolarHBondContact O-N 3.31Å
19A66.4Low63Low58 Ų5886.9 Ų86.948%0.47945%0.451SS..Hα-helixtrans-63.3-36.6176.600000113V15 T17 K23V15-A19 WeakPolarHBondContact O-CB 3.49Å; V15-A19 PolarHBondContact O-N 3.46Å; T17-A19 VanDerWaalsContact C-N 3.32Å; T17-A19 PolarHBondContact O-N 2.85Å; A19-K23 VanDerWaalsContact O-CB 3.29Å; A19-K23 WeakPolarHBondContact O-CB 3.47Å; A19-K23 PolarHBondContact O-N 3.3Å
20L65.3Low63.7Low85 Ų8584.7 Ų84.745%0.44544%0.44SS..Hα-helixtrans-76.1-38.4178-74.5169.4000113.3R16 T17 R18 K23 S24 P365R16-L20 PolarHBondContact O-N 2.84Å; T17-L20 PolarHBondContact O-N 3.15Å; T17-L20 VanDerWaalsContact O-N 3.16Å; R18-L20 VanDerWaalsContact C-N 3.33Å; R18-L20 PolarHBondContact O-N 3.2Å; L20-K23 CarbonylContact O-C 3.59Å; L20-K23 PolarHBondContact O-N 3.46Å; L20-S24 PolarHBondContact O-N 3.18Å; L20-S24 PolarHBondContact O-OG 2.9Å; L20-P365 HydrophobicContact CD1-CB 3.61Å; L20-P365 HydrophobicContact CD1-CG 3.24Å
21T64.5Low64.2Low58 Ų5884.4 Ų84.436%0.35644%0.439SS..Hα-helixtrans-66.1-40.1173.248.50000111.3T17 R18 K23 S24 H25T17-T21 HydrophobicContact CG2-CG2 4.44Å; T17-T21 PolarHBondContact O-N 2.83Å; T17-T21 PolarHBondContact O-OG1 2.97Å; R18-T21 WeakPolarHBondContact CA-OG1 3.4Å; R18-T21 PolarHBondContact O-N 2.77Å; R18-T21 PolarHBondContact O-OG1 3.23Å; T21-K23 VanDerWaalsContact C-N 3.3Å; T21-K23 PolarHBondContact O-N 3.35Å; T21-S24 PolarHBondContact O-N 3Å; T21-S24 PolarHBondContact O-OG 3.24Å; T21-H25 VanDerWaalsContact O-CB 3.3Å; T21-H25 WeakPolarHBondContact O-CB 3.29Å; T21-H25 PolarHBondContact O-N 3.07Å
22N63.3Low64.6Low105 Ų10588.2 Ų88.256%0.56146%0.457SS*.Hα-helixtrans-63.8-35.3170.4-70.3-9000112.1R18 T26R18-N22 WeakPolarHBondContact O-CB 3.42Å; R18-N22 PolarHBondContact O-N 3.31Å; N22-T26 WeakPolarHBondContact O-CB 3.36Å; N22-T26 WeakPolarHBondContact O-CG2 3.43Å; N22-T26 PolarHBondContact O-N 3.37Å; N22-T26 PolarHBondContact O-OG1 3.44Å
23K66.4Low64.3Low117 Ų11786.6 Ų86.651%0.50945%0.445SS..Hα-helixtrans-72.7-30.4176.1-167.6166-174.1170.60113.9A19 L20 T21 T26 R27A19-K23 VanDerWaalsContact O-CB 3.29Å; A19-K23 WeakPolarHBondContact O-CB 3.47Å; A19-K23 PolarHBondContact O-N 3.3Å; L20-K23 CarbonylContact O-C 3.59Å; L20-K23 PolarHBondContact O-N 3.46Å; T21-K23 VanDerWaalsContact C-N 3.3Å; T21-K23 PolarHBondContact O-N 3.35Å; K23-T26 WeakPolarHBondContact CA-OG1 3.37Å; K23-T26 PolarHBondContact O-OG1 3.38Å; K23-R27 WeakPolarHBondContact O-CB 3.28Å; K23-R27 WeakPolarHBondContact O-CD 3.33Å; K23-R27 VanDerWaalsContact O-CG 3.23Å; K23-R27 WeakPolarHBondContact O-CG 3.42Å; K23-R27 PolarHBondContact O-N 2.95Å
24S62.8Low64.2Low63 Ų6389.8 Ų89.844%0.44146%0.462SS..Hα-helixtrans-76-40.9170.4570000111.1L20 T21 R27 L28L20-S24 PolarHBondContact O-N 3.18Å; L20-S24 PolarHBondContact O-OG 2.9Å; T21-S24 PolarHBondContact O-N 3Å; T21-S24 PolarHBondContact O-OG 3.24Å; S24-R27 WeakPolarHBondContact O-CB 3.25Å; S24-R27 PolarHBondContact O-N 2.89Å; S24-L28 WeakPolarHBondContact O-CG 3.44Å; S24-L28 PolarHBondContact O-N 3.03Å
25H61.4Low64.1Low134 Ų13494.2 Ų94.262%0.6249%0.485SS*.Hα-helixtrans-61.4-46.5176.7-163-92.1000112.2T21 R27 L28 A29T21-H25 VanDerWaalsContact O-CB 3.3Å; T21-H25 WeakPolarHBondContact O-CB 3.29Å; T21-H25 PolarHBondContact O-N 3.07Å; H25-R27 VanDerWaalsContact C-N 3.34Å; H25-R27 PolarHBondContact O-N 3.09Å; H25-L28 PolarHBondContact O-N 3.1Å; H25-A29 WeakPolarHBondContact O-CB 3.25Å; H25-A29 PolarHBondContact O-N 2.8Å
26T61Low64.2Low76 Ų7692.2 Ų92.247%0.46648%0.475SS..Hα-helixtrans-63.4-35.9174.146.70000112.9N22 K23 A29 N30N22-T26 WeakPolarHBondContact O-CB 3.36Å; N22-T26 WeakPolarHBondContact O-CG2 3.43Å; N22-T26 PolarHBondContact O-N 3.37Å; N22-T26 PolarHBondContact O-OG1 3.44Å; K23-T26 WeakPolarHBondContact CA-OG1 3.37Å; K23-T26 PolarHBondContact O-OG1 3.38Å; T26-A29 PolarHBondContact O-N 3.29Å; T26-N30 WeakPolarHBondContact O-CB 3.49Å; T26-N30 PolarHBondContact O-N 3.09Å; T26-N30 PolarHBondContact O-OD1 3.33Å
27R63.1Low64.3Low178 Ų17890.6 Ų90.667%0.67248%0.475SS*.Hα-helixtrans-64.9-38.7172.7-80.4173.2167.4-166.4-6.3112.6K23 S24 H25 K31K23-R27 WeakPolarHBondContact O-CB 3.28Å; K23-R27 WeakPolarHBondContact O-CD 3.33Å; K23-R27 VanDerWaalsContact O-CG 3.23Å; K23-R27 WeakPolarHBondContact O-CG 3.42Å; K23-R27 PolarHBondContact O-N 2.95Å; S24-R27 WeakPolarHBondContact O-CB 3.25Å; S24-R27 PolarHBondContact O-N 2.89Å; H25-R27 VanDerWaalsContact C-N 3.34Å; H25-R27 PolarHBondContact O-N 3.09Å; R27-K31 WeakPolarHBondContact O-CB 3.39Å; R27-K31 PolarHBondContact O-N 3.27Å
28L61.8Low64.1Low106 Ų10693.3 Ų93.356%0.55549%0.494SS*.Hα-helixtrans-69.8-43.8175.3-71172000111.3S24 H25 N30 K31 L32S24-L28 WeakPolarHBondContact O-CG 3.44Å; S24-L28 PolarHBondContact O-N 3.03Å; H25-L28 PolarHBondContact O-N 3.1Å; L28-N30 PolarHBondContact O-N 2.99Å; L28-K31 WeakPolarHBondContact O-CB 3.42Å; L28-K31 PolarHBondContact O-N 2.81Å; L28-K31 VanDerWaalsContact O-N 3.1Å; L28-L32 WeakPolarHBondContact O-CG 3.39Å; L28-L32 PolarHBondContact O-N 2.92Å
29A60Low63.9Low45 Ų4592.9 Ų92.937%0.37250%0.5SS..Hα-helixtrans-58.2-47.1174.700000111.8H25 T26 K31 L32 S33H25-A29 WeakPolarHBondContact O-CB 3.25Å; H25-A29 PolarHBondContact O-N 2.8Å; T26-A29 PolarHBondContact O-N 3.29Å; A29-K31 VanDerWaalsContact C-N 3.29Å; A29-K31 PolarHBondContact O-N 2.77Å; A29-L32 PolarHBondContact O-N 2.88Å; A29-S33 PolarHBondContact O-N 2.88Å
30N64.3Low63.8Low102 Ų10294 Ų9455%0.54550%0.498SS..Hα-helixtrans-65-31.3175.2-68.65.3000112.6T26 L28 S33 L34T26-N30 WeakPolarHBondContact O-CB 3.49Å; T26-N30 PolarHBondContact O-N 3.09Å; T26-N30 PolarHBondContact O-OD1 3.33Å; L28-N30 PolarHBondContact O-N 2.99Å; N30-S33 WeakPolarHBondContact CA-OG 3.42Å; N30-S33 PolarHBondContact O-OG 3.17Å; N30-S33 VanDerWaalsContact O-OG 3.06Å; N30-L34 WeakPolarHBondContact O-CB 3.36Å; N30-L34 VanDerWaalsContact O-CG 3.22Å; N30-L34 WeakPolarHBondContact O-CG 3.49Å; N30-L34 PolarHBondContact O-N 3.42Å; N30-L34 VanDerWaalsContact O-N 3.1Å
31K69.9Low63.6Low144 Ų14494.8 Ų94.863%0.62650%0.502SS*.Hα-helixtrans-71.5-37.7174.8-166.3178.4-178.4-174.20111.3R27 L28 A29 L35R27-K31 WeakPolarHBondContact O-CB 3.39Å; R27-K31 PolarHBondContact O-N 3.27Å; L28-K31 WeakPolarHBondContact O-CB 3.42Å; L28-K31 PolarHBondContact O-N 2.81Å; L28-K31 VanDerWaalsContact O-N 3.1Å; A29-K31 VanDerWaalsContact C-N 3.29Å; A29-K31 PolarHBondContact O-N 2.77Å; K31-L35 WeakPolarHBondContact O-CG 3.42Å; K31-L35 PolarHBondContact O-N 3.18Å
32L68.6Low63.5Low115 Ų115100.9 Ų100.960%0.60252%0.518SS*.Hα-helixtrans-68.9-40.4174-70169.5000111.7L28 A29 L35 S36L28-L32 WeakPolarHBondContact O-CG 3.39Å; L28-L32 PolarHBondContact O-N 2.92Å; A29-L32 PolarHBondContact O-N 2.88Å; L32-L35 WeakPolarHBondContact O-CB 3.21Å; L32-L35 PolarHBondContact O-N 3.16Å; L32-L35 VanDerWaalsContact O-N 3.16Å; L32-S36 PolarHBondContact O-N 3.05Å; L32-S36 PolarHBondContact O-OG 2.65Å
33S57.8Low63.1Low47 Ų47102.2 Ų102.233%0.32953%0.525SS..Hα-helixtrans-63.4-44.1176.475.40000111.5A29 N30 L35 S36 D37A29-S33 PolarHBondContact O-N 2.88Å; N30-S33 WeakPolarHBondContact CA-OG 3.42Å; N30-S33 PolarHBondContact O-OG 3.17Å; N30-S33 VanDerWaalsContact O-OG 3.06Å; S33-L35 PolarHBondContact O-N 3.27Å; S33-S36 WeakPolarHBondContact CA-OG 3.41Å; S33-S36 PolarHBondContact O-N 3.35Å; S33-S36 VanDerWaalsContact O-N 3.13Å; S33-S36 PolarHBondContact O-OG 3.21Å; S33-D37 WeakPolarHBondContact O-CB 3.47Å; S33-D37 PolarHBondContact O-N 3.1Å
34L62.2Low62.7Low118 Ų118105 Ų10562%0.61853%0.532SS*.Hα-helixtrans-61.3-31.6174.4-72.2171.1000113.1N30 S38N30-L34 WeakPolarHBondContact O-CB 3.36Å; N30-L34 VanDerWaalsContact O-CG 3.22Å; N30-L34 WeakPolarHBondContact O-CG 3.49Å; N30-L34 PolarHBondContact O-N 3.42Å; N30-L34 VanDerWaalsContact O-N 3.1Å; L34-S38 VanDerWaalsContact O-CB 3.25Å; L34-S38 WeakPolarHBondContact O-CB 3.45Å; L34-S38 PolarHBondContact O-N 2.67Å
35L65.9Low62.4Low98 Ų98107.8 Ų107.851%0.51354%0.538SS..Hα-helixtrans-72-43173.1-71.2169.4000111.5K31 L32 S33 S38 L39K31-L35 WeakPolarHBondContact O-CG 3.42Å; K31-L35 PolarHBondContact O-N 3.18Å; L32-L35 WeakPolarHBondContact O-CB 3.21Å; L32-L35 PolarHBondContact O-N 3.16Å; L32-L35 VanDerWaalsContact O-N 3.16Å; S33-L35 PolarHBondContact O-N 3.27Å; L35-S38 PolarHBondContact O-N 3.14Å; L35-L39 WeakPolarHBondContact O-CG 2.94Å; L35-L39 PolarHBondContact O-N 3.07Å
36S64.4Low61.8Low54 Ų54104.3 Ų104.338%0.37854%0.538SS..Hα-helixtrans-66.1-36.6175.158.80000112.6L32 S33 L39 N40L32-S36 PolarHBondContact O-N 3.05Å; L32-S36 PolarHBondContact O-OG 2.65Å; S33-S36 WeakPolarHBondContact CA-OG 3.41Å; S33-S36 PolarHBondContact O-N 3.35Å; S33-S36 VanDerWaalsContact O-N 3.13Å; S33-S36 PolarHBondContact O-OG 3.21Å; S36-L39 PolarHBondContact O-N 3.48Å; S36-N40 WeakPolarHBondContact O-CB 3.23Å; S36-N40 PolarHBondContact O-N 3.25Å; S36-N40 PolarHBondContact O-ND2 3.17Å
37D64.7Low61.4Low81 Ų81108 Ų10843%0.43356%0.555SS.*Hα-helixtrans-66.8-43.6175.4-69-28.5000110.6S33 L39 N40 L41S33-D37 WeakPolarHBondContact O-CB 3.47Å; S33-D37 PolarHBondContact O-N 3.1Å; D37-L39 VanDerWaalsContact C-N 3.33Å; D37-L39 PolarHBondContact O-N 3.26Å; D37-N40 PolarHBondContact O-N 2.74Å; D37-L41 WeakPolarHBondContact O-CB 3.49Å; D37-L41 WeakPolarHBondContact O-CD1 3.4Å; D37-L41 PolarHBondContact O-N 2.91Å
38S64.4Low60.9Low58 Ų58109 Ų10941%0.40656%0.559SS.*Hα-helixtrans-59.9-41175.4-172.80000112.4L34 L35 R42L34-S38 VanDerWaalsContact O-CB 3.25Å; L34-S38 WeakPolarHBondContact O-CB 3.45Å; L34-S38 PolarHBondContact O-N 2.67Å; L35-S38 PolarHBondContact O-N 3.14Å; S38-R42 WeakPolarHBondContact O-CG 3.01Å; S38-R42 PolarHBondContact O-N 2.87Å; S38-R42 VanDerWaalsContact O-N 3.08Å
39L63Low60.2Low108 Ų108111.1 Ų111.157%0.56557%0.571SS**Hα-helixtrans-66.2-44.3173.9-70.3171.4000112L35 S36 D37 L41 R42 L43L35-L39 WeakPolarHBondContact O-CG 2.94Å; L35-L39 PolarHBondContact O-N 3.07Å; S36-L39 PolarHBondContact O-N 3.48Å; D37-L39 VanDerWaalsContact C-N 3.33Å; D37-L39 PolarHBondContact O-N 3.26Å; L39-L41 PolarHBondContact O-N 2.22Å; L39-R42 PolarHBondContact O-N 3.46Å; L39-L43 WeakPolarHBondContact O-CG 3.44Å; L39-L43 PolarHBondContact O-N 3.32Å
40N64.7Low59.5Low83 Ų83116.2 Ų116.244%0.44460%0.597SS.*Hα-helixtrans-63.5-38.6175.9-84.7-71.3000112.8S36 D37 L43 R44S36-N40 WeakPolarHBondContact O-CB 3.23Å; S36-N40 PolarHBondContact O-N 3.25Å; S36-N40 PolarHBondContact O-ND2 3.17Å; D37-N40 PolarHBondContact O-N 2.74Å; N40-L43 PolarHBondContact O-N 2.82Å; N40-R44 WeakPolarHBondContact O-CG 3.43Å; N40-R44 PolarHBondContact O-N 2.86Å
41L60.7Low58.4Low101 Ų101114.6 Ų114.653%0.52960%0.604SS.*Hα-helixtrans-65.5-39.4174.4-94.385.2000111.6D37 L39 R44 H45D37-L41 WeakPolarHBondContact O-CB 3.49Å; D37-L41 WeakPolarHBondContact O-CD1 3.4Å; D37-L41 PolarHBondContact O-N 2.91Å; L39-L41 PolarHBondContact O-N 2.22Å; L41-R44 PolarHBondContact O-N 2.82Å; L41-H45 PolarHBondContact O-N 2.99Å; L41-H45 PolarHBondContact O-ND1 2.94Å
42R62.6Low57Low186 Ų186119.9 Ų119.970%0.70262%0.62SS**Hα-helixtrans-62.6-45.8175.4-75.1178-178.7-152.8-1.1111.8S38 L39 R44 H45 G46S38-R42 WeakPolarHBondContact O-CG 3.01Å; S38-R42 PolarHBondContact O-N 2.87Å; S38-R42 VanDerWaalsContact O-N 3.08Å; L39-R42 PolarHBondContact O-N 3.46Å; R42-R44 VanDerWaalsContact C-N 3.32Å; R42-R44 PolarHBondContact O-N 3Å; R42-H45 PolarHBondContact O-N 3.16Å; R42-G46 PolarHBondContact O-N 2.4Å; R42-G46 VanDerWaalsContact O-N 3.17Å
43L56.4Low55.4Low133 Ų133125.7 Ų125.770%0.69663%0.634SS**Hα-helixtrans-59.7-40.8174.9-71.1165.3000111.9L39 N40L39-L43 WeakPolarHBondContact O-CG 3.44Å; L39-L43 PolarHBondContact O-N 3.32Å; N40-L43 PolarHBondContact O-N 2.82Å
44R57.9Low54.6Low175 Ų175129.9 Ų129.966%0.6665%0.653SS**Hα-helixtrans-73-28.8177.2-72.3-177.8-178.8-132.70.2114.5N40 L41 R42N40-R44 WeakPolarHBondContact O-CG 3.43Å; N40-R44 PolarHBondContact O-N 2.86Å; L41-R44 PolarHBondContact O-N 2.82Å; R42-R44 VanDerWaalsContact C-N 3.32Å; R42-R44 PolarHBondContact O-N 3Å
45H54.7Low53.9Low122 Ų122131.4 Ų131.457%0.56566%0.656SS**Hα-helixtrans-77.1-31.2177.6-80.372.2000112.7L41 R42 N47 R48L41-H45 PolarHBondContact O-N 2.99Å; L41-H45 PolarHBondContact O-ND1 2.94Å; R42-H45 PolarHBondContact O-N 3.16Å; H45-N47 PolarHBondContact O-N 2.97Å; H45-R48 PolarHBondContact O-N 3.49Å
46G49.7Very low52.6Low61 Ų61135.2 Ų135.263%0.62967%0.669SS**Hα-helixtrans-56.1-34172.200000112.9R42R42-G46 PolarHBondContact O-N 2.4Å; R42-G46 VanDerWaalsContact O-N 3.17Å
47N52Low51.6Low153 Ų153141.2 Ų141.282%0.81869%0.688SS**THydrogen-bonded Turntrans-92.811.8-174.6-129.811.6000114.9H45H45-N47 PolarHBondContact O-N 2.97Å
48R53.1Low50.5Low200 Ų200144.8 Ų144.876%0.75570%0.702SS**THydrogen-bonded Turntrans-127.66.4-175.3-75.7-173.4172.8-169.5-3.9115.7H45 V50H45-R48 PolarHBondContact O-N 3.49Å; R48-V50 PolarHBondContact O-N 3.01Å; R48-V50 VanDerWaalsContact O-N 3.13Å
49N46.6Very low49.3Very low149 Ų149151.9 Ų151.980%0.79772%0.72SS**  trans-78.915-177-86.8-17.3000115.4
50V46.1Very low48.1Very low152 Ų152154.9 Ų154.992%0.92173%0.731SS**  trans-107.887.9176.2-175.60000109.3R48R48-V50 PolarHBondContact O-N 3.01Å; R48-V50 VanDerWaalsContact O-N 3.13Å
51G40.9Very low46.9Very low68 Ų68157.7 Ų157.770%0.70175%0.751SS**SBendtrans148.484.9171.600000117.5
52R40.3Very low45.7Very low255 Ų255161.2 Ų161.296%0.96276%0.762SS**  trans54.4107.8148.1-57.4-174.8-179.3-153.8-1119.3
53R36.3Very low44.5Very low238 Ų238159.4 Ų159.490%0.89877%0.765SS**  trans-101.2159.2152-85-179174.2159.30.1110.6
54N41Very low43.5Very low135 Ų135159.8 Ų159.872%0.72277%0.768SS**  trans136.6135.2163.5-74.7-4.7000108
55H46.3Very low42.5Very low149 Ų149161.1 Ų161.169%0.6977%0.773SS**  cis-157.6173-5.6-89.6-52.6000107.3
56F39.5Very low41.8Very low178 Ų178161 Ų16178%0.78178%0.777SS**  cis-134.3-128.2-5.5-142.4-76.5000110.1
57K42.5Very low41.1Very low180 Ų180167.2 Ų167.278%0.78379%0.79SS**  trans-159.3178.3-177.1-66.3-177.4179.5170.60113.1
58H41.3Very low40.4Very low156 Ų156166.6 Ų166.672%0.72280%0.795SS**  trans92.5148.4157.5-95.7-137.8000119.5
59R40.3Very low39.6Very low208 Ų208162.6 Ų162.679%0.78580%0.798SS**  cis-173151.9-27.8179.8166.2171.6175.1-8.1110.2
60H36.4Very low39.3Very low171 Ų171160.2 Ų160.279%0.79279%0.791SS**  trans-71.8163.9178.3-75.5-103.5000116.2
61V40.8Very low39Very low142 Ų142159.9 Ų159.986%0.86178%0.784SS**  -173.6168.3125.6145.90000112.4
62F35.3Very low39.1Very low174 Ų174161.6 Ų161.676%0.76378%0.782SS**  trans-99.2169.6-160.7-68.4-110.1000116.7
63L37.3Very low39Very low148 Ų148159.3 Ų159.378%0.77578%0.78SS**  160.2135.8113.4-81.4175.8000115.6
64N35.4Very low39.1Very low141 Ų141153.1 Ų153.175%0.75477%0.773SS**  trans42.6163144.4-56.4-16.3000122
65R36.6Very low38.9Very low204 Ų204152.3 Ų152.377%0.7778%0.775SS**  cis-166173.57.6-143.7177.6157.1-123.74.4112.6
66D41.1Very low38.8Very low118 Ų118151.2 Ų151.263%0.63178%0.779SS**  trans83.1154.5150-61.6-37.9000123.2
67E34.8Very low38.7Very low193 Ų193152 Ų15290%0.90278%0.784SS**  trans-112.5162.3-155.8-50.7-175.4116.400116.2
68C36Very low38.3Very low139 Ų139151.9 Ų151.994%0.93979%0.787SS**  trans-162.4170.9131.3-139.40000114.8
69S37.9Very low38.1Very low116 Ų116151.9 Ų151.981%0.81179%0.792SS**  trans-102.8175.7-159.4-116.80000116.7
70P40Very low37.7Very low99 Ų99146.6 Ų146.664%0.64379%0.787SS**  trans-117.1-174.6-157.945-38.6000118.7
71D38.2Very low37.8Very low146 Ų146146.4 Ų146.478%0.78179%0.791SS**  trans85.1160.5146.8-76.2-24.4000121.1
72P44.7Very low37.3Very low103 Ų103149 Ų14967%0.66979%0.791SS**  -144.3176.3-64.339.9-20.2000115.8
73K37.7Very low37.3Very low207 Ų207148.4 Ų148.490%0.979%0.79SS**  trans177.1164.9159.4-95.4143-166.3175.10108.8
74S37.9Very low37.2Very low109 Ų109148.1 Ų148.176%0.76279%0.785SS**  cis-159.9169.5-14.741.70000108.8
75P37.3Very low37.3Very low118 Ų118146 Ų14677%0.76678%0.781SS**  trans-112.5-162.6-161.942.5-34.2000116.4
76V43.9Very low37.3Very low126 Ų126141.4 Ų141.476%0.76478%0.775SS**  trans102107164-161.40000116.1
77E38.5Very low37.1Very low193 Ų193142.4 Ų142.490%0.90278%0.779SS**  -174.3166.3108.6-95.7-161.2171.500112.2
78E32.7Very low37.2Very low178 Ų178140 Ų14083%0.83277%0.773SS**  trans-136.7136-154.9-177.9174.8-153.600111.5
79N36.8Very low37.2Very low157 Ų157138.1 Ų138.184%0.8476%0.761SS**  trans-178.2113.9154.5-94.6-38.2000107.2
80S32.4Very low37.1Very low96 Ų96138.1 Ų138.167%0.67176%0.756SS**  68.7101.462.6-161.30000112.9
81L38.7Very low37.3Very low168 Ų168143 Ų14388%0.8877%0.77SS**  -169139.7113.3-93.9169.3000109.9
82K30Very low37Very low196 Ų196142.8 Ų142.885%0.85277%0.769SS**  trans-98.5177.1167.5-80.9175.4175.8170.70108.6
83E35.1Very low36.8Very low161 Ų161144.6 Ų144.675%0.75278%0.779SS**  trans120.4141.2165-67.8-171.3148.100110.8
84Q36Very low36.9Very low143 Ų143140.2 Ų140.267%0.66877%0.774SS**  cis-157.2143.5-17-118.2153.917.100105.4
85S36.6Very low36.9Very low95 Ų95139.6 Ų139.666%0.66478%0.775SS**  48.7151.9109.477.90000115.9
86V36.2Very low37Very low108 Ų108139.9 Ų139.966%0.65578%0.78SS**  cis-157.9165.714.1-139.40000109.3
87I38.2Very low36.8Very low139 Ų139139.2 Ų139.271%0.71378%0.781SS**  trans47.2164.415066.5-147.5000121
88N36.6Very low37.2Very low144 Ų144137.2 Ų137.277%0.7778%0.782SS**  cis-156.4-177.4-3-113.9-12.4000105
89S35.1Very low37.6Very low99 Ų99134.2 Ų134.269%0.69278%0.78SS**  cis-170.4149.6-23170.20000105.1
90V37.7Very low37.8Very low116 Ų116131.9 Ų131.970%0.70378%0.777SS**  trans-52.8153.2176.6-1230000114.9
91Q43.9Very low38.1Very low200 Ų200133.9 Ų133.994%0.93579%0.785SS**  trans-153.3136.3139.7-111.2168.629.300111.7
92D30.8Very low38.4Very low143 Ų143131.2 Ų131.277%0.76578%0.78SS**  trans-88.4151.3-176.7-54.6-84.4000112.9
93T41Very low38.4Very low141 Ų141128.6 Ų128.687%0.86579%0.785SS**  trans-147.5122.1145.5300000112.5
94S40Very low38.4Very low114 Ų114123.9 Ų123.980%0.79778%0.78SS**  trans-53.6169.3154.531.80000112.9
95A36.5Very low38.7Very low96 Ų96123.3 Ų123.379%0.79379%0.791SS**  cis-173.3148.6-19.500000107.4
96S41Very low38.7Very low125 Ų125124.2 Ų124.287%0.87480%0.798SS**  trans-161.6115.616254.20000112
97S39.3Very low39.2Very low112 Ų112122.3 Ų122.378%0.78380%0.8SS**  trans-89.6138.1177.750.40000112.4
98V45.8Very low40.2Very low151 Ų151121 Ų12192%0.91579%0.793SS**  trans-137138.4149.5-75.90000110.4
99S42.3Very low41.3Very low114 Ų114117.4 Ų117.480%0.79778%0.78SS**  trans-100.5148.2-173.2-43.10000111.5
100S41.5Very low43Very low109 Ų109113.5 Ų113.576%0.76275%0.752SS**  trans177.8105.8133.351.50000113.8
101T38.4Very low45.1Very low137 Ų137111.8 Ų111.884%0.8474%0.742SS**  trans28.5110.1133.754.70000120.9
102S44.7Very low47.2Very low112 Ų112102.4 Ų102.478%0.78370%0.699SS**  -167.6128119.260.90000112.2G104S102-G104 PolarHBondContact O-N 3.18Å; S102-G104 VanDerWaalsContact O-N 3.15Å
103C29.2Very low49.8Very low141 Ų14199.5 Ų99.595%0.95368%0.679SS**  trans-29.5102.2173.850.20000117.1
104G36Very low52.2Low63 Ų6393.3 Ų93.365%0.64964%0.64SS**  trans-125.2137.4171.600000111.9S102 S106S102-G104 PolarHBondContact O-N 3.18Å; S102-G104 VanDerWaalsContact O-N 3.15Å; G104-S106 PolarHBondContact O-N 3.45Å
105S41.9Very low54.6Low130 Ų13094.7 Ų94.791%0.90963%0.631SS**  trans-53.9121.8178.3-168.40000111G107S105-G107 PolarHBondContact O-N 3Å
106S37.7Very low56.9Low115 Ų11593.9 Ų93.980%0.80463%0.633SS**  trans-69.675.5-174.9-54.20000112.9G104 I108G104-S106 PolarHBondContact O-N 3.45Å; S106-I108 PolarHBondContact O-N 2.93Å; S106-I108 VanDerWaalsContact O-N 3.07Å
107G46.4Very low59.2Low68 Ų6889.1 Ų89.170%0.70160%0.599SS**  trans-64.6103166.800000109.4S105 S109S105-G107 PolarHBondContact O-N 3Å; G107-S109 PolarHBondContact O-N 3.43Å
108I57.8Low61.1Low111 Ų11192.5 Ų92.557%0.56960%0.602SS**  trans-64.899.3175.8-58.2158.7000107.8S106S106-I108 PolarHBondContact O-N 2.93Å; S106-I108 VanDerWaalsContact O-N 3.07Å
109S60.2Low62.8Low69 Ų6988 Ų8848%0.48358%0.577SS.*EExtended strand (participates in β ladder)trans-60.5150.6171.354.20000110G107G107-S109 PolarHBondContact O-N 3.43Å
110S70.5Confident64.1Low17 Ų1786.6 Ų86.612%0.11956%0.564CS.*EExtended strand (participates in β ladder)trans-134.6111.7-176.7550000110.3I122 R124S110-I122 PolarHBondContact N-O 3.08Å; S110-I122 VanDerWaalsContact O-O 3.08Å; S110-I122 PolarHBondContact OG-O 3.5Å; S110-R124 WeakPolarHBondContact OG-CA 3.33Å; S110-R124 PolarHBondContact OG-N 3.38Å
111V82.4Confident65.5Low79 Ų7987.5 Ų87.548%0.47956%0.56SS.*  trans-63.2137.6177.3-176.60000110.5K113 V120V111-K113 PolarHBondContact O-N 3.2Å; V111-V120 WeakPolarHBondContact CA-O 3.41Å; V111-V120 HydrophobicContact CG2-CG1 4.28Å; V111-V120 WeakPolarHBondContact CG2-O 3.44Å
112C87.9Confident67.4Low4 Ų481.8 Ų81.83%0.02752%0.524CS..  trans-73.8112.2167.2-173.90000110.1W114 C117 C119 I122 L127 H130 H135C112-W114 PolarHBondContact O-N 2.85Å; C112-C117 HydrophobicContact CB-CB 4.32Å; C112-C119 PolarHBondContact N-O 3.04Å; C112-I122 HydrophobicContact CB-CD1 3.8Å; C112-L127 HydrophobicContact CB-CD1 4.15Å; C112-H130 WeakPolarHBondContact CB-NE2 3.43Å; C112-H130 VanDerWaalsContact SG-CD2 3.53Å; C112-H130 PolarHBondContact SG-NE2 3.37Å; C112-H135 PolarHBondContact SG-NE2 3.13Å
113K86.3Confident68.8Low82 Ų8281.4 Ų81.436%0.35751%0.51SS..  trans-86.226.1176.8-68.8-172.9157.1-164.40113.4V111 W151 Q152 D153V111-K113 PolarHBondContact O-N 3.2Å; K113-W151 HydrophobicContact CB-CD2 3.97Å; K113-W151 HydrophobicContact CB-CE3 4.26Å; K113-W151 HydrophobicContact CB-CH2 4.1Å; K113-W151 HydrophobicContact CB-CZ2 3.75Å; K113-W151 HydrophobicContact CB-CZ3 4.33Å; K113-W151 HydrophobicContact CG-CZ2 4.26Å; K113-W151 VanDerWaalsContact N-CH2 3.31Å; K113-W151 VanDerWaalsContact N-CZ3 3.29Å; K113-Q152 HydrophobicContact CB-CB 4.15Å; K113-Q152 VanDerWaalsContact O-CG 3.25Å; K113-Q152 WeakPolarHBondContact O-CG 3.46Å; K113-Q152 PolarHBondContact O-N 3.25Å; K113-D153 IonicContact NZ-OD2 3.38Å; K113-D153 PolarHBondContact NZ-OD2 3.16Å
114W90.3Very high70.9Confident11 Ų1180.6 Ų80.64%0.04249%0.487CS..BIsolated β-bridgetrans-79.9140.4177.4-158.9-84000110.8C112 G116 C117 I131 H135 C149 L150 W151 L167 I171C112-W114 PolarHBondContact O-N 2.85Å; W114-G116 PolarHBondContact O-N 3.41Å; W114-G116 VanDerWaalsContact O-N 3.14Å; W114-C117 HydrophobicContact CB-CB 4.03Å; W114-C117 WeakPolarHBondContact O-CB 3.49Å; W114-C117 PolarHBondContact O-N 2.79Å; W114-I131 HydrophobicContact CE3-CG2 3.92Å; W114-I131 HydrophobicContact CZ3-CG2 3.87Å; W114-H135 WeakPolarHBondContact CB-CD2 3.4Å; W114-H135 VanDerWaalsContact CB-NE2 3.33Å; W114-H135 WeakPolarHBondContact CB-NE2 3.05Å; W114-H135 AromaticContact CD1-CD2 3.88Å; W114-H135 AromaticContact CD1-CE1 3.92Å; W114-H135 AromaticContact CD1-CG 3.58Å; W114-H135 AromaticContact CD1-ND1 3.62Å; W114-H135 HydrophobicContact CD2-CB 3.6Å; W114-H135 AromaticContact CD2-CD2 3.64Å; W114-H135 AromaticContact CD2-CG 3.61Å; W114-H135 AromaticContact CE2-CG 3.92Å; W114-H135 HydrophobicContact CE3-CB 3.95Å; W114-H135 AromaticContact CE3-CD2 3.98Å; W114-H135 HydrophobicContact CG-CB 4.01Å; W114-H135 AromaticContact CG-CD2 3.34Å; W114-H135 AromaticContact CG-CE1 3.99Å; W114-H135 AromaticContact CG-CG 3.47Å; W114-H135 VanDerWaalsContact CG-CG 3.47Å; W114-H135 AromaticContact CG-ND1 3.87Å; W114-H135 AromaticContact CG-NE2 3.69Å; W114-H135 HydrophobicContact CH2-CB 4.3Å; W114-H135 HydrophobicContact CZ2-CB 3.95Å; W114-H135 HydrophobicContact CZ3-CB 4.29Å; W114-H135 AromaticContact NE1-CG 3.81Å; W114-C149 HydrophobicContact CH2-CB 4.47Å; W114-L150 HydrophobicContact CD2-CB 4.48Å; W114-L150 HydrophobicContact CZ2-CB 3.99Å; W114-L150 HydrophobicContact CZ2-CG 4.32Å; W114-L150 VanDerWaalsContact CZ2-N 3.26Å; W114-W151 HydrophobicContact CB-CE3 4.21Å; W114-W151 HydrophobicContact CE3-CB 4.1Å; W114-W151 AromaticContact CE3-CE3 3.99Å; W114-W151 HydrophobicContact CE3-CE3 3.99Å; W114-W151 HydrophobicContact CZ3-CB 4.35Å; W114-L167 HydrophobicContact CH2-CD1 4.48Å; W114-I171 HydrophobicContact CH2-CG2 4.23Å; W114-I171 HydrophobicContact CZ3-CG2 3.84Å
115K89.6Confident72.8Confident142 Ų14282.2 Ų82.262%0.61748%0.484SS*.THydrogen-bonded Turntrans-60.4118.5179.4-172.1-173.7-178.8-178.80109.9L150 F157K115-L150 HydrophobicContact CB-CB 4Å; K115-L150 WeakPolarHBondContact CB-O 3.45Å; K115-L150 PolarHBondContact N-O 3.23Å; K115-F157 HydrophobicContact CB-CE2 4.44Å; K115-F157 HydrophobicContact CD-CZ 4.26Å
116G86.1Confident74.7Confident80 Ų8081.3 Ų81.383%0.82547%0.466SS*.THydrogen-bonded Turntrans79.521.4-17800000114.4W114W114-G116 PolarHBondContact O-N 3.41Å; W114-G116 VanDerWaalsContact O-N 3.14Å
117C88.4Confident76.9Confident25 Ų2576.3 Ų76.317%0.16943%0.43CS..  trans-99130.1167.9-167.20000110.9C112 W114 H130 H135C112-C117 HydrophobicContact CB-CB 4.32Å; W114-C117 HydrophobicContact CB-CB 4.03Å; W114-C117 WeakPolarHBondContact O-CB 3.49Å; W114-C117 PolarHBondContact O-N 2.79Å; C117-H130 VanDerWaalsContact SG-CE1 3.51Å; C117-H130 PolarHBondContact SG-NE2 3.47Å; C117-H135 WeakPolarHBondContact CB-NE2 3.33Å; C117-H135 VanDerWaalsContact SG-CE1 3.6Å; C117-H135 PolarHBondContact SG-NE2 2.92Å; C117-H135 VanDerWaalsContact SG-NE2 3.41Å
118E80.7Confident78.9Confident182 Ų18275.1 Ų75.185%0.8541%0.407SS*.  trans-101.85.8-179.3-63.9175.5177.100112.5V120E118-V120 PolarHBondContact O-N 3.25Å; E118-V120 VanDerWaalsContact O-N 3.11Å
119C79.7Confident80.2Confident57 Ų5774.1 Ų74.139%0.38540%0.403SS..  trans-80.895.4-178.9-60.20000111.7C112 I122 H130C112-C119 PolarHBondContact N-O 3.04Å; C119-I122 HydrophobicContact CB-CD1 3.63Å; C119-I122 HydrophobicContact CB-CG1 4.11Å; C119-H130 PolarHBondContact SG-CE1 3.48Å
120V70.9Confident81.6Confident85 Ų8572 Ų7252%0.51539%0.385SS..  trans-77.5-42.9-176.9-176.70000112.9V111 E118V111-V120 WeakPolarHBondContact CA-O 3.41Å; V111-V120 HydrophobicContact CG2-CG1 4.28Å; V111-V120 WeakPolarHBondContact CG2-O 3.44Å; E118-V120 PolarHBondContact O-N 3.25Å; E118-V120 VanDerWaalsContact O-N 3.11Å
121D71.1Confident82.5Confident127 Ų12771.2 Ų71.268%0.67938%0.38SS*.  trans-110.482.6-171.9-71.1-62.3000113.6
122I77.3Confident82.8Confident17 Ų1770.7 Ų70.79%0.08737%0.372CS..EExtended strand (participates in β ladder)trans-112.9129.8174.6-53.5159.6000110.3S110 C112 C119 Q126 L127 H130S110-I122 PolarHBondContact N-O 3.08Å; S110-I122 VanDerWaalsContact O-O 3.08Å; S110-I122 PolarHBondContact OG-O 3.5Å; C112-I122 HydrophobicContact CB-CD1 3.8Å; C119-I122 HydrophobicContact CB-CD1 3.63Å; C119-I122 HydrophobicContact CB-CG1 4.11Å; I122-Q126 HydrophobicContact CG2-CB 3.91Å; I122-L127 HydrophobicContact CB-CD1 4.45Å; I122-L127 HydrophobicContact CD1-CD1 4.06Å; I122-L127 HydrophobicContact CG2-CB 4.18Å; I122-H130 HydrophobicContact CD1-CB 3.98Å; I122-H130 WeakPolarHBondContact CD1-CD2 3.18Å; I122-H130 HydrophobicContact CG2-CB 4.38Å
123E75.4Confident82.8Confident104 Ų10475.5 Ų75.549%0.48639%0.394SS..EExtended strand (participates in β ladder)trans-59.3138.1173.9-163.7-163.6157.700110.6T125 Q126 L127E123-T125 WeakPolarHBondContact CG-OG1 3.48Å; E123-T125 PolarHBondContact O-N 3.3Å; E123-T125 PolarHBondContact OE1-OG1 2.69Å; E123-T125 PolarHBondContact OE2-OG1 3.34Å; E123-Q126 HydrophobicContact CB-CB 4.28Å; E123-Q126 HydrophobicContact CB-CG 4.02Å; E123-Q126 WeakPolarHBondContact O-CA 3.48Å; E123-Q126 PolarHBondContact O-N 3.39Å; E123-Q126 PolarHBondContact OE2-NE2 3.2Å; E123-L127 PolarHBondContact O-N 3.4Å
124R72.4Confident83Confident124 Ų12476 Ų7647%0.46840%0.4SS..THydrogen-bonded Turntrans-52.9-30.7-177.3174.7175.4-79.1126.9-0114.3S110S110-R124 WeakPolarHBondContact OG-CA 3.33Å; S110-R124 PolarHBondContact OG-N 3.38Å
125T75.7Confident83Confident97 Ų9776.3 Ų76.360%0.59540%0.402SS*.THydrogen-bonded Turntrans-72.5-33.7175.950.80000112.5E123E123-T125 WeakPolarHBondContact CG-OG1 3.48Å; E123-T125 PolarHBondContact O-N 3.3Å; E123-T125 PolarHBondContact OE1-OG1 2.69Å; E123-T125 PolarHBondContact OE2-OG1 3.34Å
126Q81.5Confident83Confident111 Ų11169.8 Ų69.852%0.51937%0.373SS..THydrogen-bonded Turntrans-89.4-21.7-176-58.7-175.435.900112.9I122 E123 I128 N129 H130I122-Q126 HydrophobicContact CG2-CB 3.91Å; E123-Q126 HydrophobicContact CB-CB 4.28Å; E123-Q126 HydrophobicContact CB-CG 4.02Å; E123-Q126 WeakPolarHBondContact O-CA 3.48Å; E123-Q126 PolarHBondContact O-N 3.39Å; E123-Q126 PolarHBondContact OE2-NE2 3.2Å; Q126-I128 VanDerWaalsContact C-N 3.25Å; Q126-I128 PolarHBondContact O-N 2.85Å; Q126-I128 VanDerWaalsContact O-N 3.16Å; Q126-N129 WeakPolarHBondContact O-CA 3.49Å; Q126-N129 WeakPolarHBondContact O-CB 3.45Å; Q126-N129 PolarHBondContact O-N 3.02Å; Q126-H130 PolarHBondContact O-N 3.03Å
127L85.5Confident83.1Confident11 Ų1168.8 Ų68.86%0.05835%0.351CS..Hα-helixtrans-53.4-38.1-178.5-178.663.9000113.5C112 I122 E123 H130 I131 W151 T175C112-L127 HydrophobicContact CB-CD1 4.15Å; I122-L127 HydrophobicContact CB-CD1 4.45Å; I122-L127 HydrophobicContact CD1-CD1 4.06Å; I122-L127 HydrophobicContact CG2-CB 4.18Å; E123-L127 PolarHBondContact O-N 3.4Å; L127-H130 PolarHBondContact O-N 3.21Å; L127-I131 HydrophobicContact CD1-CD1 4.08Å; L127-I131 HydrophobicContact CD1-CG1 4.28Å; L127-I131 HydrophobicContact CG-CD1 3.9Å; L127-I131 WeakPolarHBondContact O-CD1 3.49Å; L127-I131 VanDerWaalsContact O-CG1 3.25Å; L127-I131 WeakPolarHBondContact O-CG1 3.42Å; L127-I131 PolarHBondContact O-N 2.83Å; L127-W151 HydrophobicContact CD1-CH2 4.23Å; L127-W151 HydrophobicContact CD2-CH2 4.16Å; L127-T175 HydrophobicContact CD2-CG2 4Å; L127-T175 HydrophobicContact CG-CG2 3.98Å
128I86.6Confident83.1Confident42 Ų4270.4 Ų70.422%0.21536%0.362CS..Hα-helixtrans-60.6-47.3175.3-64.4173.5000110.9Q126 I131 Q132 L172 T175Q126-I128 VanDerWaalsContact C-N 3.25Å; Q126-I128 PolarHBondContact O-N 2.85Å; Q126-I128 VanDerWaalsContact O-N 3.16Å; I128-I131 PolarHBondContact O-N 3.47Å; I128-Q132 HydrophobicContact CG2-CG 4.48Å; I128-Q132 WeakPolarHBondContact O-CB 3.13Å; I128-Q132 VanDerWaalsContact O-CG 3.32Å; I128-Q132 WeakPolarHBondContact O-CG 3.45Å; I128-Q132 PolarHBondContact O-N 3.11Å; I128-L172 HydrophobicContact CG2-CD2 4.04Å; I128-T175 HydrophobicContact CB-CG2 4.46Å; I128-T175 WeakPolarHBondContact CD1-OG1 3.44Å; I128-T175 HydrophobicContact CG1-CG2 3.54Å; I128-T175 WeakPolarHBondContact CG1-OG1 3.42Å
129N86.2Confident83.5Confident90 Ų9062.3 Ų62.348%0.48132%0.324SS..Hα-helixtrans-65.6-44.9-177.6-168.3-26.1000110.1Q126 I131 Q132 Q133Q126-N129 WeakPolarHBondContact O-CA 3.49Å; Q126-N129 WeakPolarHBondContact O-CB 3.45Å; Q126-N129 PolarHBondContact O-N 3.02Å; N129-I131 PolarHBondContact O-N 3.04Å; N129-Q132 WeakPolarHBondContact O-CB 3.32Å; N129-Q132 PolarHBondContact O-N 2.79Å; N129-Q133 WeakPolarHBondContact O-CG 3.47Å; N129-Q133 PolarHBondContact O-N 3.44Å; N129-Q133 WeakPolarHBondContact OD1-CG 3.27Å
130H88.5Confident83.8Confident26 Ų2662.6 Ų62.612%0.1232%0.321CS..Hα-helixtrans-54.4-51.5172.5168.682.8000112.4C112 C117 C119 I122 Q126 L127 Q132 Q133 I134 H135C112-H130 WeakPolarHBondContact CB-NE2 3.43Å; C112-H130 VanDerWaalsContact SG-CD2 3.53Å; C112-H130 PolarHBondContact SG-NE2 3.37Å; C117-H130 VanDerWaalsContact SG-CE1 3.51Å; C117-H130 PolarHBondContact SG-NE2 3.47Å; C119-H130 PolarHBondContact SG-CE1 3.48Å; I122-H130 HydrophobicContact CD1-CB 3.98Å; I122-H130 WeakPolarHBondContact CD1-CD2 3.18Å; I122-H130 HydrophobicContact CG2-CB 4.38Å; Q126-H130 PolarHBondContact O-N 3.03Å; L127-H130 PolarHBondContact O-N 3.21Å; H130-Q132 VanDerWaalsContact C-N 3.29Å; H130-Q132 PolarHBondContact O-N 2.83Å; H130-Q133 PolarHBondContact O-N 3.35Å; H130-I134 WeakPolarHBondContact O-CB 3.34Å; H130-I134 WeakPolarHBondContact O-CG1 3.46Å; H130-I134 PolarHBondContact O-N 3.5Å; H130-H135 AromaticContact NE2-NE2 3.31Å; H130-H135 PolarHBondContact NE2-NE2 3.28Å
131I89.8Confident84.4Confident0 Ų063.2 Ų63.20%033%0.329CS..Hα-helixtrans-62-39.4179.3-62.7161.3000110.9W114 L127 I128 N129 H135 V136 W151 I171 T175W114-I131 HydrophobicContact CE3-CG2 3.92Å; W114-I131 HydrophobicContact CZ3-CG2 3.87Å; L127-I131 HydrophobicContact CD1-CD1 4.08Å; L127-I131 HydrophobicContact CD1-CG1 4.28Å; L127-I131 HydrophobicContact CG-CD1 3.9Å; L127-I131 WeakPolarHBondContact O-CD1 3.49Å; L127-I131 VanDerWaalsContact O-CG1 3.25Å; L127-I131 WeakPolarHBondContact O-CG1 3.42Å; L127-I131 PolarHBondContact O-N 2.83Å; I128-I131 PolarHBondContact O-N 3.47Å; N129-I131 PolarHBondContact O-N 3.04Å; I131-H135 HydrophobicContact CG2-CB 4.49Å; I131-H135 WeakPolarHBondContact O-CA 3.18Å; I131-H135 WeakPolarHBondContact O-CB 3.39Å; I131-H135 PolarHBondContact O-N 3.44Å; I131-H135 VanDerWaalsContact O-N 3.1Å; I131-V136 PolarHBondContact O-N 3.03Å; I131-V136 VanDerWaalsContact O-N 3.09Å; I131-W151 HydrophobicContact CD1-CE3 4.07Å; I131-W151 HydrophobicContact CD1-CH2 3.8Å; I131-W151 HydrophobicContact CD1-CZ3 3.39Å; I131-W151 HydrophobicContact CG1-CE3 4.43Å; I131-W151 HydrophobicContact CG1-CZ3 3.79Å; I131-I171 HydrophobicContact CG2-CB 3.95Å; I131-I171 HydrophobicContact CG2-CD1 3.98Å; I131-I171 HydrophobicContact CG2-CG2 3.88Å; I131-T175 HydrophobicContact CD1-CG2 3.66Å
132Q88.8Confident84.8Confident67 Ų6759.6 Ų59.631%0.31331%0.314SS..Iπ-helixtrans-60.9-56.5176.2-77.3174.5-22.900111.7I128 N129 H130 V136 V137 I171I128-Q132 HydrophobicContact CG2-CG 4.48Å; I128-Q132 WeakPolarHBondContact O-CB 3.13Å; I128-Q132 VanDerWaalsContact O-CG 3.32Å; I128-Q132 WeakPolarHBondContact O-CG 3.45Å; I128-Q132 PolarHBondContact O-N 3.11Å; N129-Q132 WeakPolarHBondContact O-CB 3.32Å; N129-Q132 PolarHBondContact O-N 2.79Å; H130-Q132 VanDerWaalsContact C-N 3.29Å; H130-Q132 PolarHBondContact O-N 2.83Å; Q132-V136 PolarHBondContact O-N 3.04Å; Q132-V137 WeakPolarHBondContact O-CG2 3.38Å; Q132-V137 PolarHBondContact O-N 3.39Å; Q132-I171 HydrophobicContact CB-CD1 4.47Å; Q132-I171 HydrophobicContact CG-CD1 3.37Å
133Q87.9Confident84.8Confident106 Ų10671 Ų7150%0.49536%0.356SS..Iπ-helixtrans-73.9-37-172.5-59.5-57.2-3200113.4N129 H130 P138N129-Q133 WeakPolarHBondContact O-CG 3.47Å; N129-Q133 PolarHBondContact O-N 3.44Å; N129-Q133 WeakPolarHBondContact OD1-CG 3.27Å; H130-Q133 PolarHBondContact O-N 3.35Å; Q133-P138 WeakPolarHBondContact O-CD 3.25Å
134I90Very high84.9Confident92 Ų9272 Ų7247%0.47236%0.355SS..Iπ-helixtrans-94.2-24-172.9-50.7-57.3000112.5H130 P138H130-I134 WeakPolarHBondContact O-CB 3.34Å; H130-I134 WeakPolarHBondContact O-CG1 3.46Å; H130-I134 PolarHBondContact O-N 3.5Å; I134-P138 WeakPolarHBondContact O-CG 3.26Å
135H90.4Very high85.5Confident18 Ų1875.1 Ų75.18%0.08337%0.372CS..Iπ-helixtrans-125.2-27-172-55.1-38.5000115.8C112 W114 C117 H130 I131 Q139C112-H135 PolarHBondContact SG-NE2 3.13Å; W114-H135 WeakPolarHBondContact CB-CD2 3.4Å; W114-H135 VanDerWaalsContact CB-NE2 3.33Å; W114-H135 WeakPolarHBondContact CB-NE2 3.05Å; W114-H135 AromaticContact CD1-CD2 3.88Å; W114-H135 AromaticContact CD1-CE1 3.92Å; W114-H135 AromaticContact CD1-CG 3.58Å; W114-H135 AromaticContact CD1-ND1 3.62Å; W114-H135 HydrophobicContact CD2-CB 3.6Å; W114-H135 AromaticContact CD2-CD2 3.64Å; W114-H135 AromaticContact CD2-CG 3.61Å; W114-H135 AromaticContact CE2-CG 3.92Å; W114-H135 HydrophobicContact CE3-CB 3.95Å; W114-H135 AromaticContact CE3-CD2 3.98Å; W114-H135 HydrophobicContact CG-CB 4.01Å; W114-H135 AromaticContact CG-CD2 3.34Å; W114-H135 AromaticContact CG-CE1 3.99Å; W114-H135 AromaticContact CG-CG 3.47Å; W114-H135 VanDerWaalsContact CG-CG 3.47Å; W114-H135 AromaticContact CG-ND1 3.87Å; W114-H135 AromaticContact CG-NE2 3.69Å; W114-H135 HydrophobicContact CH2-CB 4.3Å; W114-H135 HydrophobicContact CZ2-CB 3.95Å; W114-H135 HydrophobicContact CZ3-CB 4.29Å; W114-H135 AromaticContact NE1-CG 3.81Å; C117-H135 WeakPolarHBondContact CB-NE2 3.33Å; C117-H135 VanDerWaalsContact SG-CE1 3.6Å; C117-H135 PolarHBondContact SG-NE2 2.92Å; C117-H135 VanDerWaalsContact SG-NE2 3.41Å; H130-H135 AromaticContact NE2-NE2 3.31Å; H130-H135 PolarHBondContact NE2-NE2 3.28Å; I131-H135 HydrophobicContact CG2-CB 4.49Å; I131-H135 WeakPolarHBondContact O-CA 3.18Å; I131-H135 WeakPolarHBondContact O-CB 3.39Å; I131-H135 PolarHBondContact O-N 3.44Å; I131-H135 VanDerWaalsContact O-N 3.1Å; H135-Q139 PolarHBondContact O-NE2 2.93Å
136V89.5Confident86.1Confident4 Ų476.5 Ų76.52%0.02437%0.367CS..Iπ-helixtrans-94.1-52.9177.1178.50000110.9I131 Q132 Q139 L140 L167 E168 I171I131-V136 PolarHBondContact O-N 3.03Å; I131-V136 VanDerWaalsContact O-N 3.09Å; Q132-V136 PolarHBondContact O-N 3.04Å; V136-Q139 WeakPolarHBondContact O-CA 3.39Å; V136-Q139 WeakPolarHBondContact O-CB 3.38Å; V136-Q139 PolarHBondContact O-N 3.25Å; V136-L140 HydrophobicContact CG1-CD1 3.74Å; V136-L140 WeakPolarHBondContact O-CD1 3.48Å; V136-L140 PolarHBondContact O-N 2.61Å; V136-L140 VanDerWaalsContact O-N 3.09Å; V136-L167 HydrophobicContact CG1-CD2 4.18Å; V136-L167 HydrophobicContact CG1-CG 4.34Å; V136-L167 HydrophobicContact CG2-CD2 4.24Å; V136-L167 HydrophobicContact CG2-CG 4.19Å; V136-E168 HydrophobicContact CG1-CG 4.05Å; V136-I171 HydrophobicContact CG2-CD1 3.81Å; V136-I171 HydrophobicContact CG2-CG1 4.2Å; V136-I171 HydrophobicContact CG2-CG2 3.75Å
137V89.3Confident86.6Confident59 Ų5972.4 Ų72.436%0.35835%0.348SS..Hα-helixtrans-53-45.9-179.9169.40000112.4Q132 Q139 L140 S141Q132-V137 WeakPolarHBondContact O-CG2 3.38Å; Q132-V137 PolarHBondContact O-N 3.39Å; V137-Q139 VanDerWaalsContact C-N 3.26Å; V137-Q139 PolarHBondContact O-N 3.22Å; V137-L140 PolarHBondContact O-N 3.28Å; V137-S141 PolarHBondContact O-N 3.27Å; V137-S141 PolarHBondContact O-OG 2.88Å
138P88.1Confident86.9Confident60 Ų6072.4 Ų72.439%0.3935%0.349SS..Hα-helixtrans-63.9-26.2177.1-26.538.2000114.5Q133 I134 S142Q133-P138 WeakPolarHBondContact O-CD 3.25Å; I134-P138 WeakPolarHBondContact O-CG 3.26Å; P138-S142 VanDerWaalsContact O-CB 3.28Å; P138-S142 WeakPolarHBondContact O-CB 3.42Å; P138-S142 PolarHBondContact O-N 3.19Å; P138-S142 VanDerWaalsContact O-N 3.1Å; P138-S142 PolarHBondContact O-OG 3.26Å
139Q88.7Confident87.2Confident11 Ų1170.4 Ų70.45%0.05134%0.339CS..Hα-helixtrans-74.8-33.4172.1-70.9-172.374.800112.3H135 V136 V137 F147 S148H135-Q139 PolarHBondContact O-NE2 2.93Å; V136-Q139 WeakPolarHBondContact O-CA 3.39Å; V136-Q139 WeakPolarHBondContact O-CB 3.38Å; V136-Q139 PolarHBondContact O-N 3.25Å; V137-Q139 VanDerWaalsContact C-N 3.26Å; V137-Q139 PolarHBondContact O-N 3.22Å; Q139-F147 HydrophobicContact CB-CD1 4.31Å; Q139-S148 PolarHBondContact NE2-O 3.21Å; Q139-S148 PolarHBondContact OE1-O 3.38Å; Q139-S148 VanDerWaalsContact OE1-O 3.07Å; Q139-S148 PolarHBondContact OE1-OG 2.83Å
140L85.8Confident87.5Confident63 Ų6368.2 Ų68.233%0.3333%0.327SS..Hα-helixtrans-75.2-36.3175.2-87.964.6000112.6V136 V137 F147 A164 E168V136-L140 HydrophobicContact CG1-CD1 3.74Å; V136-L140 WeakPolarHBondContact O-CD1 3.48Å; V136-L140 PolarHBondContact O-N 2.61Å; V136-L140 VanDerWaalsContact O-N 3.09Å; V137-L140 PolarHBondContact O-N 3.28Å; L140-F147 HydrophobicContact CD1-CD1 3.94Å; L140-F147 HydrophobicContact CD1-CE1 3.96Å; L140-F147 HydrophobicContact CG-CE1 4.24Å; L140-A164 HydrophobicContact CD1-CB 4.11Å; L140-A164 HydrophobicContact CD2-CB 4.23Å; L140-A164 HydrophobicContact CG-CB 4.01Å; L140-E168 WeakPolarHBondContact CD2-OE1 3.31Å
141S83.3Confident87.6Confident98 Ų9868 Ų6869%0.68532%0.324SS*.Hα-helixtrans-77.5-25.6177-56.70000113.1V137V137-S141 PolarHBondContact O-N 3.27Å; V137-S141 PolarHBondContact O-OG 2.88Å
142S79.3Confident87.5Confident51 Ų5172.5 Ų72.536%0.35735%0.346SS..SBendtrans-69.9143.9170.9-65.90000110.7P138 R144P138-S142 VanDerWaalsContact O-CB 3.28Å; P138-S142 WeakPolarHBondContact O-CB 3.42Å; P138-S142 PolarHBondContact O-N 3.19Å; P138-S142 VanDerWaalsContact O-N 3.1Å; P138-S142 PolarHBondContact O-OG 3.26Å; S142-R144 PolarHBondContact O-N 3.38Å
143R78.2Confident87.2Confident258 Ų25875.8 Ų75.897%0.97437%0.365SS*.  trans-69.132.1173-61.5-172-175.7175.42.2114.2
144R78.1Confident87.2Confident125 Ų12571.3 Ų71.347%0.47235%0.346SS..  trans-75.6129.5179.8-69.1-178.4-178.3-165.60.3109.3S142 Y146S142-R144 PolarHBondContact O-N 3.38Å; R144-Y146 PolarHBondContact O-N 3.36Å
145K83.3Confident87Confident188 Ų18878.6 Ų78.682%0.81737%0.367SS*.SBendtrans-73.1-6.4174.5-62.7-176.1180-179.40113.3
146Y89.5Confident86.9Confident127 Ų12779.9 Ų79.950%0.49838%0.376SS..  trans-143.4142.9-175.253.4-95000111.3R144 P160 S161R144-Y146 PolarHBondContact O-N 3.36Å; Y146-P160 HydrophobicContact CD2-CB 4.08Å; Y146-P160 HydrophobicContact CG-CB 4.04Å; Y146-S161 CarbonylContact C-O 3.52Å; Y146-S161 WeakPolarHBondContact CA-O 3.06Å
147F91.8Very high86.9Confident24 Ų2484.2 Ų84.211%0.10540%0.395CS..EExtended strand (participates in β ladder)trans-109.8136179.4-53.5-73.4000108.8Q139 L140 S161 V162 S163 A164 L167Q139-F147 HydrophobicContact CB-CD1 4.31Å; L140-F147 HydrophobicContact CD1-CD1 3.94Å; L140-F147 HydrophobicContact CD1-CE1 3.96Å; L140-F147 HydrophobicContact CG-CE1 4.24Å; F147-S161 PolarHBondContact N-O 3.06Å; F147-S161 PolarHBondContact O-N 2.92Å; F147-V162 WeakPolarHBondContact CE2-O 3.5Å; F147-S163 VanDerWaalsContact CD2-C 3.49Å; F147-A164 HydrophobicContact CD2-CB 4.16Å; F147-A164 HydrophobicContact CE1-CB 4.25Å; F147-A164 HydrophobicContact CE2-CB 3.81Å; F147-A164 HydrophobicContact CZ-CB 3.86Å; F147-L167 HydrophobicContact CB-CB 4.1Å; F147-L167 HydrophobicContact CB-CD2 3.91Å
148S92.4Very high86.9Confident12 Ų1283.3 Ų83.38%0.08440%0.398CS..EExtended strand (participates in β ladder)trans-135.8140-175.862.90000111.3Q139Q139-S148 PolarHBondContact NE2-O 3.21Å; Q139-S148 PolarHBondContact OE1-O 3.38Å; Q139-S148 VanDerWaalsContact OE1-O 3.07Å; Q139-S148 PolarHBondContact OE1-OG 2.83Å
149C92.7Very high87Confident0 Ų089.1 Ų89.10%041%0.412CS..BIsolated β-bridgetrans-83.2129.6169.7-175.70000109.7W114 W151 V156 F157 G158 L167 H170 H174W114-C149 HydrophobicContact CH2-CB 4.47Å; C149-W151 VanDerWaalsContact SG-CB 3.58Å; C149-W151 PolarHBondContact SG-N 3.1Å; C149-V156 HydrophobicContact CB-CG2 4.48Å; C149-F157 CarbonylContact O-C 3.57Å; C149-F157 WeakPolarHBondContact O-CA 3.22Å; C149-G158 PolarHBondContact O-N 3.43Å; C149-L167 HydrophobicContact CB-CD1 4.2Å; C149-H170 WeakPolarHBondContact CB-NE2 3.34Å; C149-H170 PolarHBondContact SG-NE2 3.17Å; C149-H174 PolarHBondContact SG-NE2 3.21Å
150L93.1Very high87.1Confident44 Ų4492.8 Ų92.823%0.2344%0.436CS..  trans-117.827.7174.9-49.8172.1000111.7W114 K115 F157W114-L150 HydrophobicContact CD2-CB 4.48Å; W114-L150 HydrophobicContact CZ2-CB 3.99Å; W114-L150 HydrophobicContact CZ2-CG 4.32Å; W114-L150 VanDerWaalsContact CZ2-N 3.26Å; K115-L150 HydrophobicContact CB-CB 4Å; K115-L150 WeakPolarHBondContact CB-O 3.45Å; K115-L150 PolarHBondContact N-O 3.23Å; L150-F157 HydrophobicContact CB-CE2 4.18Å; L150-F157 WeakPolarHBondContact O-CE2 3.47Å
151W90.4Very high87.3Confident20 Ų2091 Ų918%0.07643%0.429CS..BIsolated β-bridgetrans-76.8126.9173.3-172.6-93.5000110.8K113 W114 L127 I131 C149 C154 F157 H174K113-W151 HydrophobicContact CB-CD2 3.97Å; K113-W151 HydrophobicContact CB-CE3 4.26Å; K113-W151 HydrophobicContact CB-CH2 4.1Å; K113-W151 HydrophobicContact CB-CZ2 3.75Å; K113-W151 HydrophobicContact CB-CZ3 4.33Å; K113-W151 HydrophobicContact CG-CZ2 4.26Å; K113-W151 VanDerWaalsContact N-CH2 3.31Å; K113-W151 VanDerWaalsContact N-CZ3 3.29Å; W114-W151 HydrophobicContact CB-CE3 4.21Å; W114-W151 HydrophobicContact CE3-CB 4.1Å; W114-W151 AromaticContact CE3-CE3 3.99Å; W114-W151 HydrophobicContact CE3-CE3 3.99Å; W114-W151 HydrophobicContact CZ3-CB 4.35Å; L127-W151 HydrophobicContact CD1-CH2 4.23Å; L127-W151 HydrophobicContact CD2-CH2 4.16Å; I131-W151 HydrophobicContact CD1-CE3 4.07Å; I131-W151 HydrophobicContact CD1-CH2 3.8Å; I131-W151 HydrophobicContact CD1-CZ3 3.39Å; I131-W151 HydrophobicContact CG1-CE3 4.43Å; I131-W151 HydrophobicContact CG1-CZ3 3.79Å; C149-W151 VanDerWaalsContact SG-CB 3.58Å; C149-W151 PolarHBondContact SG-N 3.1Å; W151-C154 HydrophobicContact CB-CB 4.22Å; W151-C154 WeakPolarHBondContact O-CB 3.48Å; W151-C154 PolarHBondContact O-N 3.21Å; W151-C154 VanDerWaalsContact O-N 3.16Å; W151-F157 VanDerWaalsContact O-CD2 3.29Å; W151-F157 WeakPolarHBondContact O-CD2 3.34Å; W151-H174 AromaticContact CD1-CG 3.41Å; W151-H174 VanDerWaalsContact CD1-CG 3.41Å; W151-H174 AromaticContact CD1-ND1 3.18Å; W151-H174 HydrophobicContact CD2-CB 3.81Å; W151-H174 AromaticContact CD2-CG 3.76Å; W151-H174 AromaticContact CE2-CG 3.89Å; W151-H174 HydrophobicContact CE3-CB 4.42Å; W151-H174 HydrophobicContact CG-CB 4.04Å; W151-H174 AromaticContact CG-CD2 3.65Å; W151-H174 AromaticContact CG-CG 3.45Å; W151-H174 VanDerWaalsContact CG-CG 3.45Å; W151-H174 AromaticContact CG-ND1 3.64Å; W151-H174 HydrophobicContact CZ2-CB 4.01Å; W151-H174 AromaticContact NE1-CG 3.7Å; W151-H174 AromaticContact NE1-ND1 3.65Å
152Q86.4Confident87.7Confident96 Ų9692.5 Ų92.545%0.44943%0.434SS..THydrogen-bonded Turntrans-57.7147.2175.9-57.4160.711.500110K113 C154K113-Q152 HydrophobicContact CB-CB 4.15Å; K113-Q152 VanDerWaalsContact O-CG 3.25Å; K113-Q152 WeakPolarHBondContact O-CG 3.46Å; K113-Q152 PolarHBondContact O-N 3.25Å; Q152-C154 PolarHBondContact O-N 3.21Å
153D83.3Confident88.3Confident135 Ų13592.6 Ų92.672%0.72244%0.435SS*.THydrogen-bonded Turntrans65.26.6-173.6-42.6-42.7000115.3K113K113-D153 IonicContact NZ-OD2 3.38Å; K113-D153 PolarHBondContact NZ-OD2 3.16Å
154C87.1Confident88.9Confident12 Ų1281.7 Ų81.78%0.08140%0.399CS..  trans-75.7131.3175.9-178.60000112.9W151 Q152 V156 F157 H170 H174W151-C154 HydrophobicContact CB-CB 4.22Å; W151-C154 WeakPolarHBondContact O-CB 3.48Å; W151-C154 PolarHBondContact O-N 3.21Å; W151-C154 VanDerWaalsContact O-N 3.16Å; Q152-C154 PolarHBondContact O-N 3.21Å; C154-V156 PolarHBondContact O-N 3.38Å; C154-V156 WeakPolarHBondContact SG-CG2 3.46Å; C154-V156 PolarHBondContact SG-N 3.45Å; C154-V156 VanDerWaalsContact SG-N 3.35Å; C154-F157 HydrophobicContact CB-CB 4.16Å; C154-F157 VanDerWaalsContact O-CB 3.23Å; C154-F157 WeakPolarHBondContact O-CB 3.42Å; C154-F157 PolarHBondContact O-N 2.77Å; C154-F157 VanDerWaalsContact O-N 3.14Å; C154-H170 PolarHBondContact SG-CE1 3.17Å; C154-H170 PolarHBondContact SG-NE2 3.43Å; C154-H174 WeakPolarHBondContact CB-CE1 3.32Å; C154-H174 PolarHBondContact SG-CE1 3Å
155R87.3Confident89.5Confident246 Ų24678.4 Ų78.493%0.92840%0.399SS*.THydrogen-bonded Turntrans-62.9-23176-65.4-175.5176.8-145.7-4.7115
156V88.3Confident89.9Confident44 Ų4473.6 Ų73.627%0.26738%0.376SS..THydrogen-bonded Turntrans-113.923.4178.5-64.30000111.5C149 C154 G158 R159 W166 H170C149-V156 HydrophobicContact CB-CG2 4.48Å; C154-V156 PolarHBondContact O-N 3.38Å; C154-V156 WeakPolarHBondContact SG-CG2 3.46Å; C154-V156 PolarHBondContact SG-N 3.45Å; C154-V156 VanDerWaalsContact SG-N 3.35Å; V156-G158 PolarHBondContact O-N 3.3Å; V156-R159 HydrophobicContact CB-CB 4.31Å; V156-R159 HydrophobicContact CB-CG 4.47Å; V156-R159 WeakPolarHBondContact O-CB 3.47Å; V156-R159 PolarHBondContact O-N 2.89Å; V156-W166 HydrophobicContact CB-CH2 4.3Å; V156-W166 HydrophobicContact CB-CZ2 4.3Å; V156-W166 HydrophobicContact CG2-CH2 3.8Å; V156-W166 HydrophobicContact CG2-CZ2 3.83Å; V156-H170 WeakPolarHBondContact CG2-CE1 3.19Å; V156-H170 WeakPolarHBondContact CG2-NE2 3.42Å
157F89.3Confident90Very high96 Ų9667.6 Ų67.642%0.42135%0.352SS..BIsolated β-bridgetrans-52.2127.5175.8-179.6-97.1000111.2K115 C149 L150 W151 C154 R159K115-F157 HydrophobicContact CB-CE2 4.44Å; K115-F157 HydrophobicContact CD-CZ 4.26Å; C149-F157 CarbonylContact O-C 3.57Å; C149-F157 WeakPolarHBondContact O-CA 3.22Å; L150-F157 HydrophobicContact CB-CE2 4.18Å; L150-F157 WeakPolarHBondContact O-CE2 3.47Å; W151-F157 VanDerWaalsContact O-CD2 3.29Å; W151-F157 WeakPolarHBondContact O-CD2 3.34Å; C154-F157 HydrophobicContact CB-CB 4.16Å; C154-F157 VanDerWaalsContact O-CB 3.23Å; C154-F157 WeakPolarHBondContact O-CB 3.42Å; C154-F157 PolarHBondContact O-N 2.77Å; C154-F157 VanDerWaalsContact O-N 3.14Å; F157-R159 PolarHBondContact O-N 3.28Å; F157-R159 VanDerWaalsContact O-N 3.1Å
158G88.9Confident89.9Confident40 Ų4070.3 Ų70.341%0.41237%0.365SS..THydrogen-bonded Turntrans67.20.9-179.300000115.8C149 V156 P160C149-G158 PolarHBondContact O-N 3.43Å; V156-G158 PolarHBondContact O-N 3.3Å; G158-P160 WeakPolarHBondContact O-CD 3.24Å
159R90Very high89.7Confident181 Ų18175.6 Ų75.668%0.68339%0.389SS*.  trans-78.6123.8178.6-65.1-67.6-179.1166.4-2.5110V156 F157V156-R159 HydrophobicContact CB-CB 4.31Å; V156-R159 HydrophobicContact CB-CG 4.47Å; V156-R159 WeakPolarHBondContact O-CB 3.47Å; V156-R159 PolarHBondContact O-N 2.89Å; F157-R159 PolarHBondContact O-N 3.28Å; F157-R159 VanDerWaalsContact O-N 3.1Å
160P90.9Very high89.5Confident88 Ų8876.7 Ų76.757%0.57139%0.394SS*.EExtended strand (participates in β ladder)trans-73.3137.1177.529.1-33.5000111.2Y146 G158Y146-P160 HydrophobicContact CD2-CB 4.08Å; Y146-P160 HydrophobicContact CG-CB 4.04Å; G158-P160 WeakPolarHBondContact O-CD 3.24Å
161S90.2Very high89.2Confident25 Ų2574.7 Ų74.718%0.17538%0.383CS..EExtended strand (participates in β ladder)trans-123.8142.5170.6178.60000109.5Y146 F147 S163Y146-S161 CarbonylContact C-O 3.52Å; Y146-S161 WeakPolarHBondContact CA-O 3.06Å; F147-S161 PolarHBondContact N-O 3.06Å; F147-S161 PolarHBondContact O-N 2.92Å; S161-S163 VanDerWaalsContact C-N 3.29Å; S161-S163 PolarHBondContact OG-N 3.48Å
162V90.9Very high89Confident131 Ų13176 Ų7679%0.79439%0.392SS*.SBendtrans-79-15.9177.9-172.40000111.6F147F147-V162 WeakPolarHBondContact CE2-O 3.5Å
163S91.7Very high88.8Confident53 Ų5376.7 Ų76.737%0.37139%0.394SS..  trans-99.4120-174.91790000112.5F147 S161 W166 L167F147-S163 VanDerWaalsContact CD2-C 3.49Å; S161-S163 VanDerWaalsContact C-N 3.29Å; S161-S163 PolarHBondContact OG-N 3.48Å; S163-W166 WeakPolarHBondContact O-CB 3.3Å; S163-W166 PolarHBondContact O-N 3.48Å; S163-W166 PolarHBondContact OG-N 3.04Å; S163-W166 VanDerWaalsContact OG-N 3.11Å; S163-L167 PolarHBondContact O-N 3.1Å
164A90.9Very high88.6Confident28 Ų2872.2 Ų72.223%0.23137%0.369CS..Hα-helixtrans-63.4-45170.300000111.4L140 F147 W166 L167 E168L140-A164 HydrophobicContact CD1-CB 4.11Å; L140-A164 HydrophobicContact CD2-CB 4.23Å; L140-A164 HydrophobicContact CG-CB 4.01Å; F147-A164 HydrophobicContact CD2-CB 4.16Å; F147-A164 HydrophobicContact CE1-CB 4.25Å; F147-A164 HydrophobicContact CE2-CB 3.81Å; F147-A164 HydrophobicContact CZ-CB 3.86Å; A164-W166 PolarHBondContact O-N 2.84Å; A164-L167 WeakPolarHBondContact O-CA 3.36Å; A164-L167 WeakPolarHBondContact O-CB 3.24Å; A164-L167 PolarHBondContact O-N 2.99Å; A164-E168 PolarHBondContact O-N 3.35Å
165A90.5Very high88Confident56 Ų5672.4 Ų72.446%0.46337%0.37SS..Hα-helixtrans-59.3-33176.700000112.6Q169A165-Q169 WeakPolarHBondContact O-CG 3.36Å; A165-Q169 PolarHBondContact O-N 2.82Å
166W92.5Very high86.7Confident88 Ų8862 Ų6233%0.33333%0.333SS..Hα-helixtrans-61.6-44.6170.6171.890000111.8V156 S163 A164 Q169 H170V156-W166 HydrophobicContact CB-CH2 4.3Å; V156-W166 HydrophobicContact CB-CZ2 4.3Å; V156-W166 HydrophobicContact CG2-CH2 3.8Å; V156-W166 HydrophobicContact CG2-CZ2 3.83Å; S163-W166 WeakPolarHBondContact O-CB 3.3Å; S163-W166 PolarHBondContact O-N 3.48Å; S163-W166 PolarHBondContact OG-N 3.04Å; S163-W166 VanDerWaalsContact OG-N 3.11Å; A164-W166 PolarHBondContact O-N 2.84Å; W166-Q169 PolarHBondContact O-N 2.86Å; W166-H170 HydrophobicContact CD2-CB 4.44Å; W166-H170 HydrophobicContact CZ2-CB 4.46Å; W166-H170 WeakPolarHBondContact O-CB 3.24Å; W166-H170 PolarHBondContact O-N 3.1Å
167L91.8Very high85.2Confident0 Ų063.4 Ų63.40%035%0.349CS..Hα-helixtrans-65.6-44.5179.7-178.962.1000110.9W114 V136 F147 C149 S163 A164 Q169 H170 I171W114-L167 HydrophobicContact CH2-CD1 4.48Å; V136-L167 HydrophobicContact CG1-CD2 4.18Å; V136-L167 HydrophobicContact CG1-CG 4.34Å; V136-L167 HydrophobicContact CG2-CD2 4.24Å; V136-L167 HydrophobicContact CG2-CG 4.19Å; F147-L167 HydrophobicContact CB-CB 4.1Å; F147-L167 HydrophobicContact CB-CD2 3.91Å; C149-L167 HydrophobicContact CB-CD1 4.2Å; S163-L167 PolarHBondContact O-N 3.1Å; A164-L167 WeakPolarHBondContact O-CA 3.36Å; A164-L167 WeakPolarHBondContact O-CB 3.24Å; A164-L167 PolarHBondContact O-N 2.99Å; L167-Q169 PolarHBondContact O-N 3Å; L167-H170 PolarHBondContact O-N 2.78Å; L167-I171 HydrophobicContact CD1-CG2 4.16Å; L167-I171 WeakPolarHBondContact O-CG1 3.44Å; L167-I171 PolarHBondContact O-N 3.26Å
168E89.4Confident83.6Confident81 Ų8166.9 Ų66.938%0.37936%0.364SS..Hα-helixtrans-58.3-43.2176.8-70.3179.417200113V136 L140 A164 I171V136-E168 HydrophobicContact CG1-CG 4.05Å; L140-E168 WeakPolarHBondContact CD2-OE1 3.31Å; A164-E168 PolarHBondContact O-N 3.35Å; E168-I171 WeakPolarHBondContact O-CG1 3.39Å
169Q88.1Confident82.3Confident123 Ų12367 Ų6758%0.57537%0.365SS*.Hα-helixtrans-72.5-37.4174.8-66.9-59.3-57.800111.7A165 W166 L167 I171 L172A165-Q169 WeakPolarHBondContact O-CG 3.36Å; A165-Q169 PolarHBondContact O-N 2.82Å; W166-Q169 PolarHBondContact O-N 2.86Å; L167-Q169 PolarHBondContact O-N 3Å; Q169-I171 PolarHBondContact O-N 3.09Å; Q169-L172 WeakPolarHBondContact O-CB 3.39Å; Q169-L172 PolarHBondContact O-N 3.01Å
170H88.6Confident81.2Confident24 Ų2461.6 Ų61.611%0.11135%0.347CS..Hα-helixtrans-63.5-42.3-177.9171.865.4000112.6C149 C154 V156 W166 L167 L172 H173 H174C149-H170 WeakPolarHBondContact CB-NE2 3.34Å; C149-H170 PolarHBondContact SG-NE2 3.17Å; C154-H170 PolarHBondContact SG-CE1 3.17Å; C154-H170 PolarHBondContact SG-NE2 3.43Å; V156-H170 WeakPolarHBondContact CG2-CE1 3.19Å; V156-H170 WeakPolarHBondContact CG2-NE2 3.42Å; W166-H170 HydrophobicContact CD2-CB 4.44Å; W166-H170 HydrophobicContact CZ2-CB 4.46Å; W166-H170 WeakPolarHBondContact O-CB 3.24Å; W166-H170 PolarHBondContact O-N 3.1Å; L167-H170 PolarHBondContact O-N 2.78Å; H170-L172 PolarHBondContact O-N 3.36Å; H170-H173 WeakPolarHBondContact O-CB 3.41Å; H170-H173 PolarHBondContact O-N 3.01Å; H170-H174 AromaticContact CD2-NE2 2.87Å; H170-H174 PolarHBondContact CD2-NE2 3.22Å; H170-H174 AromaticContact CE1-CE1 3.5Å; H170-H174 PolarHBondContact CE1-CE1 3.1Å; H170-H174 VanDerWaalsContact CE1-CE1 3.5Å; H170-H174 AromaticContact CE1-NE2 3.17Å; H170-H174 PolarHBondContact CE1-NE2 2.76Å; H170-H174 AromaticContact CG-NE2 3.92Å; H170-H174 AromaticContact NE2-CE1 3.4Å; H170-H174 PolarHBondContact NE2-CE1 2.98Å; H170-H174 AromaticContact NE2-NE2 2.22Å; H170-H174 PolarHBondContact NE2-NE2 3.25Å
171I87.8Confident80.5Confident2 Ų261.7 Ų61.71%0.0135%0.348CS..Hα-helixtrans-63.8-23.8-179.156.2145.3000114W114 I131 Q132 V136 L167 E168 Q169 H173 H174W114-I171 HydrophobicContact CH2-CG2 4.23Å; W114-I171 HydrophobicContact CZ3-CG2 3.84Å; I131-I171 HydrophobicContact CG2-CB 3.95Å; I131-I171 HydrophobicContact CG2-CD1 3.98Å; I131-I171 HydrophobicContact CG2-CG2 3.88Å; Q132-I171 HydrophobicContact CB-CD1 4.47Å; Q132-I171 HydrophobicContact CG-CD1 3.37Å; V136-I171 HydrophobicContact CG2-CD1 3.81Å; V136-I171 HydrophobicContact CG2-CG1 4.2Å; V136-I171 HydrophobicContact CG2-CG2 3.75Å; L167-I171 HydrophobicContact CD1-CG2 4.16Å; L167-I171 WeakPolarHBondContact O-CG1 3.44Å; L167-I171 PolarHBondContact O-N 3.26Å; E168-I171 WeakPolarHBondContact O-CG1 3.39Å; Q169-I171 PolarHBondContact O-N 3.09Å; I171-H173 PolarHBondContact O-N 3.42Å; I171-H174 PolarHBondContact O-N 3.35Å
172L84.5Confident80.1Confident48 Ų4864 Ų6425%0.25136%0.355SS..Hα-helixtrans-59-30.8174.4-57175.7000111I128 Q169 H170 H174 T175I128-L172 HydrophobicContact CG2-CD2 4.04Å; Q169-L172 WeakPolarHBondContact O-CB 3.39Å; Q169-L172 PolarHBondContact O-N 3.01Å; H170-L172 PolarHBondContact O-N 3.36Å; L172-H174 VanDerWaalsContact C-N 3.29Å; L172-H174 PolarHBondContact O-N 3.28Å; L172-T175 PolarHBondContact O-N 2.91Å; L172-T175 PolarHBondContact O-OG1 3.19Å
173H82.1Confident79.9Confident109 Ų10966.1 Ų66.151%0.50535%0.348SS..THydrogen-bonded Turntrans-73.7-11.1177.1-65.6-49.2000115.2H170 I171 D176H170-H173 WeakPolarHBondContact O-CB 3.41Å; H170-H173 PolarHBondContact O-N 3.01Å; I171-H173 PolarHBondContact O-N 3.42Å; H173-D176 IonicContact ND1-OD1 3.05Å; H173-D176 PolarHBondContact ND1-OD1 2.93Å; H173-D176 IonicContact ND1-OD2 3.83Å; H173-D176 VanDerWaalsContact O-CB 3.27Å; H173-D176 WeakPolarHBondContact O-CB 3.5Å; H173-D176 VanDerWaalsContact O-CG 3.28Å
174H80.8Confident79.7Confident41 Ų4163.9 Ų63.919%0.1933%0.333CS..THydrogen-bonded Turntrans-80.2-31.9171.2-65.4-39000111.6C149 W151 C154 H170 I171 L172 D176C149-H174 PolarHBondContact SG-NE2 3.21Å; W151-H174 AromaticContact CD1-CG 3.41Å; W151-H174 VanDerWaalsContact CD1-CG 3.41Å; W151-H174 AromaticContact CD1-ND1 3.18Å; W151-H174 HydrophobicContact CD2-CB 3.81Å; W151-H174 AromaticContact CD2-CG 3.76Å; W151-H174 AromaticContact CE2-CG 3.89Å; W151-H174 HydrophobicContact CE3-CB 4.42Å; W151-H174 HydrophobicContact CG-CB 4.04Å; W151-H174 AromaticContact CG-CD2 3.65Å; W151-H174 AromaticContact CG-CG 3.45Å; W151-H174 VanDerWaalsContact CG-CG 3.45Å; W151-H174 AromaticContact CG-ND1 3.64Å; W151-H174 HydrophobicContact CZ2-CB 4.01Å; W151-H174 AromaticContact NE1-CG 3.7Å; W151-H174 AromaticContact NE1-ND1 3.65Å; C154-H174 WeakPolarHBondContact CB-CE1 3.32Å; C154-H174 PolarHBondContact SG-CE1 3Å; H170-H174 AromaticContact CD2-NE2 2.87Å; H170-H174 PolarHBondContact CD2-NE2 3.22Å; H170-H174 AromaticContact CE1-CE1 3.5Å; H170-H174 PolarHBondContact CE1-CE1 3.1Å; H170-H174 VanDerWaalsContact CE1-CE1 3.5Å; H170-H174 AromaticContact CE1-NE2 3.17Å; H170-H174 PolarHBondContact CE1-NE2 2.76Å; H170-H174 AromaticContact CG-NE2 3.92Å; H170-H174 AromaticContact NE2-CE1 3.4Å; H170-H174 PolarHBondContact NE2-CE1 2.98Å; H170-H174 AromaticContact NE2-NE2 2.22Å; H170-H174 PolarHBondContact NE2-NE2 3.25Å; I171-H174 PolarHBondContact O-N 3.35Å; L172-H174 VanDerWaalsContact C-N 3.29Å; L172-H174 PolarHBondContact O-N 3.28Å; H174-D176 VanDerWaalsContact C-N 3.27Å; H174-D176 PolarHBondContact O-N 3.32Å
175T73.1Confident79.5Confident17 Ų1768.3 Ų68.310%0.10435%0.351CS..SBendtrans-92.326-179.363.50000113.2L127 I128 I131 L172 A177L127-T175 HydrophobicContact CD2-CG2 4Å; L127-T175 HydrophobicContact CG-CG2 3.98Å; I128-T175 HydrophobicContact CB-CG2 4.46Å; I128-T175 WeakPolarHBondContact CD1-OG1 3.44Å; I128-T175 HydrophobicContact CG1-CG2 3.54Å; I128-T175 WeakPolarHBondContact CG1-OG1 3.42Å; I131-T175 HydrophobicContact CD1-CG2 3.66Å; L172-T175 PolarHBondContact O-N 2.91Å; L172-T175 PolarHBondContact O-OG1 3.19Å; T175-A177 PolarHBondContact O-N 3.42Å
176D61Low79.4Confident26 Ų2669 Ų6914%0.13934%0.344CS..THydrogen-bonded Turntrans-64.526.8-151.8-127.90.5000118.5H173 H174 K178 K180H173-D176 IonicContact ND1-OD1 3.05Å; H173-D176 PolarHBondContact ND1-OD1 2.93Å; H173-D176 IonicContact ND1-OD2 3.83Å; H173-D176 VanDerWaalsContact O-CB 3.27Å; H173-D176 WeakPolarHBondContact O-CB 3.5Å; H173-D176 VanDerWaalsContact O-CG 3.28Å; H174-D176 VanDerWaalsContact C-N 3.27Å; H174-D176 PolarHBondContact O-N 3.32Å; D176-K178 PolarHBondContact O-N 3.19Å; D176-K180 VanDerWaalsContact OD2-CD 3.31Å; D176-K180 WeakPolarHBondContact OD2-CD 3.47Å; D176-K180 WeakPolarHBondContact OD2-CE 3.27Å; D176-K180 IonicContact OD2-NZ 2.67Å; D176-K180 PolarHBondContact OD2-NZ 3.22Å
177A56.1Low78.7Confident75 Ų7572.9 Ų72.962%0.6237%0.371SS*.THydrogen-bonded Turntrans-55.2-24.6155.400000111.7T175 G179T175-A177 PolarHBondContact O-N 3.42Å; A177-G179 PolarHBondContact O-N 3.43Å
178K56.5Low78.3Confident169 Ų16978.2 Ų78.274%0.73541%0.409SS*.THydrogen-bonded Turntrans-96.866.9-178.2-156.5178.3-172.9-178.80113.2D176D176-K178 PolarHBondContact O-N 3.19Å
179G59.9Low78Confident42 Ų4275.3 Ų75.343%0.43340%0.397SS..THydrogen-bonded Turntrans155.8-15.5167.500000115.9A177 P181 S194A177-G179 PolarHBondContact O-N 3.43Å; G179-P181 WeakPolarHBondContact O-CD 3.18Å; G179-S194 WeakPolarHBondContact O-CA 3.43Å; G179-S194 VanDerWaalsContact O-CB 3.24Å; G179-S194 WeakPolarHBondContact O-CB 3.32Å
180K67.9Low77.7Confident68 Ų6875.9 Ų75.930%0.29641%0.409SS..  trans-123.175.5-175.6-62.3175.6-176160.10112.6D176 F182 R192 F193D176-K180 VanDerWaalsContact OD2-CD 3.31Å; D176-K180 WeakPolarHBondContact OD2-CD 3.47Å; D176-K180 WeakPolarHBondContact OD2-CE 3.27Å; D176-K180 IonicContact OD2-NZ 2.67Å; D176-K180 PolarHBondContact OD2-NZ 3.22Å; K180-F182 VanDerWaalsContact C-N 3.27Å; K180-F182 PolarHBondContact O-N 3.06Å; K180-R192 HydrophobicContact CB-CB 3.81Å; K180-R192 HydrophobicContact CD-CB 4.3Å; K180-R192 PolarHBondContact O-NE 3Å; K180-R192 PolarHBondContact O-NH2 2.94Å; K180-F193 CarbonylContact C-O 3.52Å; K180-F193 VanDerWaalsContact CA-O 3.24Å; K180-F193 WeakPolarHBondContact CA-O 3.44Å
181P76.1Confident77.3Confident90 Ų9078.6 Ų78.658%0.58442%0.424SS*.  trans-71.6-21.1-179.328.5-32.6000113G179G179-P181 WeakPolarHBondContact O-CD 3.18Å
182F82.1Confident77.2Confident74 Ų7484.3 Ų84.333%0.32545%0.445SS..EExtended strand (participates in β ladder)trans-94102.7-175.9-55.3-76.9000110.8K180 R192 F193 S196 L199K180-F182 VanDerWaalsContact C-N 3.27Å; K180-F182 PolarHBondContact O-N 3.06Å; F182-R192 CarbonylContact O-C 3.6Å; F182-R192 WeakPolarHBondContact O-CA 3.27Å; F182-F193 HydrophobicContact CB-CB 4.34Å; F182-F193 PolarHBondContact N-O 3.37Å; F182-F193 PolarHBondContact O-N 2.83Å; F182-S196 VanDerWaalsContact CD2-N 3.33Å; F182-L199 HydrophobicContact CB-CB 3.99Å; F182-L199 HydrophobicContact CB-CD2 3.82Å
183R85.9Confident77.1Confident174 Ų17483.6 Ų83.666%0.65744%0.44SS*.EExtended strand (participates in β ladder)trans-84.7155.5170.468.1174.9-168.4-87.96111.1R192 L199R183-R192 HydrophobicContact CB-CG 4.33Å; R183-L199 WeakPolarHBondContact O-CD1 3.41Å; R183-L199 WeakPolarHBondContact O-CD2 3.42Å
184C88.1Confident77.1Confident7 Ų781.4 Ų81.45%0.04744%0.437CS..  trans-61148.6166.1-161.80000111C189 L191 L199 H202C184-C189 HydrophobicContact CB-CB 3.88Å; C184-C189 WeakPolarHBondContact CB-O 3.46Å; C184-L191 PolarHBondContact N-O 3.09Å; C184-L199 HydrophobicContact CB-CD1 4.36Å; C184-H202 PolarHBondContact SG-NE2 3.27Å
185I87.6Confident77.3Confident121 Ų12182.5 Ų82.562%0.62145%0.447SS*.SBendtrans-89.7-9.517961173.2000113.1V203I185-V203 HydrophobicContact CG1-CG2 4.43Å
186F86.7Confident78.1Confident70 Ų7084.6 Ų84.631%0.30746%0.462SS..SBendtrans-92.4124.7177.6-71.4-93000109.3S188 C189 V203 H207 M208F186-S188 PolarHBondContact O-N 3.19Å; F186-C189 HydrophobicContact CB-CB 4.32Å; F186-C189 PolarHBondContact O-N 3.16Å; F186-V203 HydrophobicContact CE2-CG1 4.17Å; F186-H207 HydrophobicContact CD1-CB 4.39Å; F186-H207 AromaticContact CD1-ND1 3.78Å; F186-H207 HydrophobicContact CD2-CB 3.76Å; F186-H207 AromaticContact CD2-CD2 3.52Å; F186-H207 AromaticContact CD2-CE1 4Å; F186-H207 AromaticContact CD2-CG 3.36Å; F186-H207 AromaticContact CD2-ND1 3.68Å; F186-H207 AromaticContact CD2-NE2 3.94Å; F186-H207 HydrophobicContact CE1-CB 4.07Å; F186-H207 HydrophobicContact CE2-CB 3.41Å; F186-H207 VanDerWaalsContact CE2-CB 3.41Å; F186-H207 AromaticContact CE2-CG 3.6Å; F186-H207 HydrophobicContact CG-CB 4.26Å; F186-H207 AromaticContact CG-CE1 3.72Å; F186-H207 AromaticContact CG-CG 3.67Å; F186-H207 AromaticContact CG-ND1 3.46Å; F186-H207 WeakPolarHBondContact CG-ND1 3.4Å; F186-H207 HydrophobicContact CZ-CB 3.58Å; F186-M208 HydrophobicContact CE2-CE 3.97Å; F186-M208 HydrophobicContact CZ-CE 3.69Å
187D79Confident79.5Confident170 Ų17086.9 Ų86.991%0.90948%0.477SS*.THydrogen-bonded Turntrans-63.5-25.6-174.5-61.8-46.2000113.5C189D187-C189 PolarHBondContact O-N 2.81Å
188S83.4Confident81.1Confident112 Ų11286.2 Ų86.278%0.78346%0.463SS*.THydrogen-bonded Turntrans-72.5-4.2171.759.50000114.4F186F186-S188 PolarHBondContact O-N 3.19Å
189C81.9Confident82.7Confident20 Ų2079.3 Ų79.314%0.13543%0.434CS..  trans-123.7105.3-174.5-173.50000112.9C184 F186 D187 L191 H202C184-C189 HydrophobicContact CB-CB 3.88Å; C184-C189 WeakPolarHBondContact CB-O 3.46Å; F186-C189 HydrophobicContact CB-CB 4.32Å; F186-C189 PolarHBondContact O-N 3.16Å; D187-C189 PolarHBondContact O-N 2.81Å; C189-L191 PolarHBondContact O-N 3.17Å; C189-H202 PolarHBondContact SG-CE1 3.05Å; C189-H202 PolarHBondContact SG-NE2 3.17Å
190T82.2Confident84.3Confident135 Ų13583.4 Ų83.483%0.82844%0.442SS*.  trans-79.64179.356.40000114.4
191L81.6Confident85.4Confident81 Ų8186 Ų8642%0.42445%0.45SS..  trans-70.1140.2-174.8-65.6176.1000112.9C184 C189 F193C184-L191 PolarHBondContact N-O 3.09Å; C189-L191 PolarHBondContact O-N 3.17Å; L191-F193 HydrophobicContact CB-CE2 3.81Å; L191-F193 HydrophobicContact CB-CZ 3.58Å; L191-F193 HydrophobicContact CD1-CZ 4.19Å
192R84.4Confident86.1Confident121 Ų12182.6 Ų82.646%0.45743%0.426SS..EExtended strand (participates in β ladder)trans-124.3149.7176.1-51.9-177.569.4105-0.1110.7K180 F182 R183K180-R192 HydrophobicContact CB-CB 3.81Å; K180-R192 HydrophobicContact CD-CB 4.3Å; K180-R192 PolarHBondContact O-NE 3Å; K180-R192 PolarHBondContact O-NH2 2.94Å; F182-R192 CarbonylContact O-C 3.6Å; F182-R192 WeakPolarHBondContact O-CA 3.27Å; R183-R192 HydrophobicContact CB-CG 4.33Å
193F83.6Confident86.6Confident33 Ų3380 Ų8015%0.14542%0.416CS..EExtended strand (participates in β ladder)trans-133.2145.2-170.9-54.8-82.7000111.5K180 F182 L191 T195 L198 L199 H202K180-F193 CarbonylContact C-O 3.52Å; K180-F193 VanDerWaalsContact CA-O 3.24Å; K180-F193 WeakPolarHBondContact CA-O 3.44Å; F182-F193 HydrophobicContact CB-CB 4.34Å; F182-F193 PolarHBondContact N-O 3.37Å; F182-F193 PolarHBondContact O-N 2.83Å; L191-F193 HydrophobicContact CB-CE2 3.81Å; L191-F193 HydrophobicContact CB-CZ 3.58Å; L191-F193 HydrophobicContact CD1-CZ 4.19Å; F193-T195 VanDerWaalsContact C-N 3.31Å; F193-L198 HydrophobicContact CB-CB 3.89Å; F193-L198 HydrophobicContact CD1-CB 3.94Å; F193-L198 HydrophobicContact CG-CB 4.22Å; F193-L199 HydrophobicContact CB-CB 4.1Å; F193-L199 HydrophobicContact CD2-CB 3.69Å; F193-L199 HydrophobicContact CD2-CD1 3.77Å; F193-L199 HydrophobicContact CD2-CG 4.34Å; F193-L199 HydrophobicContact CE2-CD1 3.91Å; F193-L199 HydrophobicContact CG-CB 4.05Å; F193-H202 HydrophobicContact CE1-CB 3.72Å; F193-H202 HydrophobicContact CE2-CB 4.02Å; F193-H202 AromaticContact CE2-CD2 3.3Å; F193-H202 WeakPolarHBondContact CE2-CD2 3.29Å; F193-H202 AromaticContact CE2-CG 3.8Å; F193-H202 HydrophobicContact CZ-CB 3.38Å; F193-H202 AromaticContact CZ-CD2 3.24Å; F193-H202 WeakPolarHBondContact CZ-CD2 3.38Å; F193-H202 AromaticContact CZ-CG 3.24Å; F193-H202 AromaticContact CZ-NE2 4Å
194S81.3Confident86.7Confident64 Ų6477 Ų7745%0.44841%0.41SS..SBendtrans-81.5-8.7-17950.80000114.3G179G179-S194 WeakPolarHBondContact O-CA 3.43Å; G179-S194 VanDerWaalsContact O-CB 3.24Å; G179-S194 WeakPolarHBondContact O-CB 3.32Å
195T84.8Confident86.8Confident64 Ų6483.2 Ų83.239%0.39343%0.432SS..SBendtrans-149.2144.3-179.1-40.10000109.5F193 T197 L198 L199F193-T195 VanDerWaalsContact C-N 3.31Å; T195-T197 WeakPolarHBondContact CG2-OG1 3.39Å; T195-T197 PolarHBondContact O-N 3.42Å; T195-L198 WeakPolarHBondContact O-CB 3.3Å; T195-L198 PolarHBondContact O-N 2.92Å; T195-L199 PolarHBondContact O-N 3.41Å
196S89.2Confident86.7Confident60 Ų6081.8 Ų81.842%0.4243%0.429SS..Hα-helixtrans-53.7-40.5178.5-170.50000112F182 L198 L199 E200F182-S196 VanDerWaalsContact CD2-N 3.33Å; S196-L198 PolarHBondContact O-N 3.47Å; S196-L199 WeakPolarHBondContact O-CB 3.42Å; S196-L199 PolarHBondContact O-N 2.98Å; S196-L199 VanDerWaalsContact O-N 3.1Å; S196-E200 WeakPolarHBondContact O-CB 3.23Å; S196-E200 PolarHBondContact O-N 3.33Å
197T90.9Very high86.8Confident74 Ų7480.5 Ų80.545%0.45442%0.424SS..Hα-helixtrans-63.2-23.517856.50000114.6T195 R201T195-T197 WeakPolarHBondContact CG2-OG1 3.39Å; T195-T197 PolarHBondContact O-N 3.42Å; T197-R201 WeakPolarHBondContact O-CB 3.45Å; T197-R201 PolarHBondContact O-N 2.88Å
198L89.5Confident86.8Confident62 Ų6276.6 Ų76.633%0.32540%0.401SS..Hα-helixtrans-81.3-40.2173.9-80.5160000110.8F193 T195 S196 H202F193-L198 HydrophobicContact CB-CB 3.89Å; F193-L198 HydrophobicContact CD1-CB 3.94Å; F193-L198 HydrophobicContact CG-CB 4.22Å; T195-L198 WeakPolarHBondContact O-CB 3.3Å; T195-L198 PolarHBondContact O-N 2.92Å; S196-L198 PolarHBondContact O-N 3.47Å; L198-H202 WeakPolarHBondContact O-CB 3.48Å; L198-H202 PolarHBondContact O-N 2.87Å
199L91.7Very high85.9Confident23 Ų2379 Ų7912%0.1239%0.393CS..Hα-helixtrans-61.4-53.8171.6167.561000110.9F182 R183 C184 F193 T195 S196 R201 H202 V203F182-L199 HydrophobicContact CB-CB 3.99Å; F182-L199 HydrophobicContact CB-CD2 3.82Å; R183-L199 WeakPolarHBondContact O-CD1 3.41Å; R183-L199 WeakPolarHBondContact O-CD2 3.42Å; C184-L199 HydrophobicContact CB-CD1 4.36Å; F193-L199 HydrophobicContact CB-CB 4.1Å; F193-L199 HydrophobicContact CD2-CB 3.69Å; F193-L199 HydrophobicContact CD2-CD1 3.77Å; F193-L199 HydrophobicContact CD2-CG 4.34Å; F193-L199 HydrophobicContact CE2-CD1 3.91Å; F193-L199 HydrophobicContact CG-CB 4.05Å; T195-L199 PolarHBondContact O-N 3.41Å; S196-L199 WeakPolarHBondContact O-CB 3.42Å; S196-L199 PolarHBondContact O-N 2.98Å; S196-L199 VanDerWaalsContact O-N 3.1Å; L199-R201 VanDerWaalsContact C-N 3.31Å; L199-R201 PolarHBondContact O-N 2.98Å; L199-H202 CarbonylContact O-C 3.6Å; L199-H202 WeakPolarHBondContact O-CA 3.43Å; L199-H202 WeakPolarHBondContact O-CB 3.49Å; L199-H202 PolarHBondContact O-N 2.91Å; L199-V203 HydrophobicContact CD1-CG2 3.8Å; L199-V203 HydrophobicContact CG-CG2 4.4Å; L199-V203 WeakPolarHBondContact O-CG2 3.48Å; L199-V203 PolarHBondContact O-N 3.29Å
200E92.1Very high84.6Confident128 Ų12882.4 Ų82.460%0.59842%0.423SS*.Hα-helixtrans-54.4-47.1179-179.5-172.9-165.300111.4S196 H202 V203 Q204S196-E200 WeakPolarHBondContact O-CB 3.23Å; S196-E200 PolarHBondContact O-N 3.33Å; E200-H202 VanDerWaalsContact C-N 3.33Å; E200-H202 PolarHBondContact O-N 3.39Å; E200-V203 PolarHBondContact O-N 3.42Å; E200-Q204 VanDerWaalsContact O-CB 3.29Å; E200-Q204 WeakPolarHBondContact O-CB 3.36Å; E200-Q204 PolarHBondContact O-N 2.78Å
201R90.5Very high82.9Confident124 Ų12483.2 Ų83.247%0.46842%0.423SS..Hα-helixtrans-62.3-37.8175.5179.8-171.3-62167.82.1112.8T197 L199 R205T197-R201 WeakPolarHBondContact O-CB 3.45Å; T197-R201 PolarHBondContact O-N 2.88Å; L199-R201 VanDerWaalsContact C-N 3.31Å; L199-R201 PolarHBondContact O-N 2.98Å; R201-R205 VanDerWaalsContact O-CB 3.27Å; R201-R205 WeakPolarHBondContact O-CB 3.29Å; R201-R205 WeakPolarHBondContact O-CG 3.42Å; R201-R205 PolarHBondContact O-N 2.94Å; R201-R205 VanDerWaalsContact O-N 3.09Å
202H91.8Very high81.3Confident17 Ų1790.2 Ų90.28%0.07944%0.443CS..Hα-helixtrans-67.9-49.6175.115662.8000110.8C184 C189 F193 L198 L199 E200 Q204 R205 T206 H207C184-H202 PolarHBondContact SG-NE2 3.27Å; C189-H202 PolarHBondContact SG-CE1 3.05Å; C189-H202 PolarHBondContact SG-NE2 3.17Å; F193-H202 HydrophobicContact CE1-CB 3.72Å; F193-H202 HydrophobicContact CE2-CB 4.02Å; F193-H202 AromaticContact CE2-CD2 3.3Å; F193-H202 WeakPolarHBondContact CE2-CD2 3.29Å; F193-H202 AromaticContact CE2-CG 3.8Å; F193-H202 HydrophobicContact CZ-CB 3.38Å; F193-H202 AromaticContact CZ-CD2 3.24Å; F193-H202 WeakPolarHBondContact CZ-CD2 3.38Å; F193-H202 AromaticContact CZ-CG 3.24Å; F193-H202 AromaticContact CZ-NE2 4Å; L198-H202 WeakPolarHBondContact O-CB 3.48Å; L198-H202 PolarHBondContact O-N 2.87Å; L199-H202 CarbonylContact O-C 3.6Å; L199-H202 WeakPolarHBondContact O-CA 3.43Å; L199-H202 WeakPolarHBondContact O-CB 3.49Å; L199-H202 PolarHBondContact O-N 2.91Å; E200-H202 VanDerWaalsContact C-N 3.33Å; E200-H202 PolarHBondContact O-N 3.39Å; H202-Q204 VanDerWaalsContact C-N 3.32Å; H202-Q204 PolarHBondContact O-N 3.16Å; H202-R205 PolarHBondContact O-N 3.42Å; H202-R205 VanDerWaalsContact O-N 3.1Å; H202-T206 WeakPolarHBondContact ND1-CB 3.17Å; H202-T206 PolarHBondContact ND1-OG1 2.95Å; H202-T206 VanDerWaalsContact O-CB 3.27Å; H202-T206 WeakPolarHBondContact O-CB 3.38Å; H202-T206 PolarHBondContact O-N 3.45Å; H202-T206 PolarHBondContact O-OG1 3.01Å; H202-H207 AromaticContact CE1-CD2 3.81Å; H202-H207 AromaticContact CE1-NE2 3.45Å; H202-H207 PolarHBondContact CE1-NE2 2.86Å; H202-H207 AromaticContact NE2-CD2 3.73Å; H202-H207 AromaticContact NE2-NE2 3.38Å; H202-H207 PolarHBondContact NE2-NE2 3.33Å
203V91.6Very high79.3Confident20 Ų2091.8 Ų91.812%0.12146%0.459CS..Iπ-helixtrans-52.5-51.7174.5168.90000110.4I185 F186 L199 E200 R205 H207 M208I185-V203 HydrophobicContact CG1-CG2 4.43Å; F186-V203 HydrophobicContact CE2-CG1 4.17Å; L199-V203 HydrophobicContact CD1-CG2 3.8Å; L199-V203 HydrophobicContact CG-CG2 4.4Å; L199-V203 WeakPolarHBondContact O-CG2 3.48Å; L199-V203 PolarHBondContact O-N 3.29Å; E200-V203 PolarHBondContact O-N 3.42Å; V203-R205 VanDerWaalsContact C-N 3.28Å; V203-R205 PolarHBondContact O-N 3.1Å; V203-H207 PolarHBondContact O-N 2.79Å; V203-M208 HydrophobicContact CG1-CE 3.67Å; V203-M208 HydrophobicContact CG1-CG 4.11Å; V203-M208 PolarHBondContact O-N 3.04Å
204Q89.1Confident77.2Confident112 Ų11295.6 Ų95.652%0.52349%0.49SS..Iπ-helixtrans-63.6-29.5-179.3-170.1582700113.7E200 H202 R209E200-Q204 VanDerWaalsContact O-CB 3.29Å; E200-Q204 WeakPolarHBondContact O-CB 3.36Å; E200-Q204 PolarHBondContact O-N 2.78Å; H202-Q204 VanDerWaalsContact C-N 3.32Å; H202-Q204 PolarHBondContact O-N 3.16Å; Q204-R209 WeakPolarHBondContact O-CG 3.24Å
205R89Confident75.2Confident136 Ų13698 Ų9851%0.51351%0.507SS..Iπ-helixtrans-95.2-31.8-177.6-73.6-179.5-176.3178-1.5114.8R201 H202 V203 R209R201-R205 VanDerWaalsContact O-CB 3.27Å; R201-R205 WeakPolarHBondContact O-CB 3.29Å; R201-R205 WeakPolarHBondContact O-CG 3.42Å; R201-R205 PolarHBondContact O-N 2.94Å; R201-R205 VanDerWaalsContact O-N 3.09Å; H202-R205 PolarHBondContact O-N 3.42Å; H202-R205 VanDerWaalsContact O-N 3.1Å; V203-R205 VanDerWaalsContact C-N 3.28Å; V203-R205 PolarHBondContact O-N 3.1Å; R205-R209 WeakPolarHBondContact O-CB 3.44Å; R205-R209 WeakPolarHBondContact O-CD 3.47Å
206T86.4Confident73Confident92 Ų92102.7 Ų102.756%0.56453%0.529SS*.Iπ-helixtrans-103.8-32.7-169.8-50.50000111.2H202H202-T206 WeakPolarHBondContact ND1-CB 3.17Å; H202-T206 PolarHBondContact ND1-OG1 2.95Å; H202-T206 VanDerWaalsContact O-CB 3.27Å; H202-T206 WeakPolarHBondContact O-CB 3.38Å; H202-T206 PolarHBondContact O-N 3.45Å; H202-T206 PolarHBondContact O-OG1 3.01Å
207H88.1Confident70.7Confident43 Ų43104.7 Ų104.720%0.19954%0.543CS..Iπ-helixtrans-110.5-34.7-176.8-60.5-74.3000112.8F186 H202 V203F186-H207 HydrophobicContact CD1-CB 4.39Å; F186-H207 AromaticContact CD1-ND1 3.78Å; F186-H207 HydrophobicContact CD2-CB 3.76Å; F186-H207 AromaticContact CD2-CD2 3.52Å; F186-H207 AromaticContact CD2-CE1 4Å; F186-H207 AromaticContact CD2-CG 3.36Å; F186-H207 AromaticContact CD2-ND1 3.68Å; F186-H207 AromaticContact CD2-NE2 3.94Å; F186-H207 HydrophobicContact CE1-CB 4.07Å; F186-H207 HydrophobicContact CE2-CB 3.41Å; F186-H207 VanDerWaalsContact CE2-CB 3.41Å; F186-H207 AromaticContact CE2-CG 3.6Å; F186-H207 HydrophobicContact CG-CB 4.26Å; F186-H207 AromaticContact CG-CE1 3.72Å; F186-H207 AromaticContact CG-CG 3.67Å; F186-H207 AromaticContact CG-ND1 3.46Å; F186-H207 WeakPolarHBondContact CG-ND1 3.4Å; F186-H207 HydrophobicContact CZ-CB 3.58Å; H202-H207 AromaticContact CE1-CD2 3.81Å; H202-H207 AromaticContact CE1-NE2 3.45Å; H202-H207 PolarHBondContact CE1-NE2 2.86Å; H202-H207 AromaticContact NE2-CD2 3.73Å; H202-H207 AromaticContact NE2-NE2 3.38Å; H202-H207 PolarHBondContact NE2-NE2 3.33Å; V203-H207 PolarHBondContact O-N 2.79Å
208M79.7Confident68Low88 Ų88109.1 Ų109.143%0.43356%0.563SS.*SBendtrans-93.4-6.4-177.5-53.8-60.4167.400115.2F186 V203 A210F186-M208 HydrophobicContact CE2-CE 3.97Å; F186-M208 HydrophobicContact CZ-CE 3.69Å; V203-M208 HydrophobicContact CG1-CE 3.67Å; V203-M208 HydrophobicContact CG1-CG 4.11Å; V203-M208 PolarHBondContact O-N 3.04Å; M208-A210 VanDerWaalsContact C-N 3.29Å; M208-A210 PolarHBondContact O-N 3.5Å
209R64.1Low65.5Low161 Ų161111.5 Ų111.561%0.60858%0.583SS**G310 helixtrans-81.10.3-175.3-97-176-174.6-172.7-9.5115.6Q204 R205 N211Q204-R209 WeakPolarHBondContact O-CG 3.24Å; R205-R209 WeakPolarHBondContact O-CB 3.44Å; R205-R209 WeakPolarHBondContact O-CD 3.47Å; R209-N211 PolarHBondContact O-N 3.5Å
210A55.6Low62.6Low93 Ų93119.9 Ų119.977%0.76962%0.618SS**G310 helixtrans-61.5-13.1177.200000114.2M208M208-A210 VanDerWaalsContact C-N 3.29Å; M208-A210 PolarHBondContact O-N 3.5Å
211N46.7Very low60Low152 Ų152120 Ų12081%0.81363%0.627SS**G310 helixtrans-119.434.3-171.9-143.216000114.9R209R209-N211 PolarHBondContact O-N 3.5Å
212R47.8Very low57.2Low227 Ų227118.2 Ų118.286%0.85763%0.634SS**  trans-137.643.7169.8-70.4-160.1-175.3-142.71.9113.5
213I42.9Very low54.7Low155 Ų155125.4 Ų125.480%0.79567%0.672SS**  trans-107.281.4166-55.1176.3000107.3
214S38.9Very low51.9Low112 Ų112129.6 Ų129.678%0.78370%0.698SS**SBendtrans171.9162.8165.8-82.50000109.2
215S39.2Very low49.6Very low115 Ų115129.8 Ų129.880%0.80470%0.702SS**  trans60.265.3-176.880.70000115.4
216D38.6Very low47.7Very low163 Ų163131.5 Ų131.587%0.87271%0.714SS**  trans-72.2106.2152.4-170.710.5000109
217S40.1Very low45.5Very low102 Ų102132.3 Ų132.371%0.71372%0.723SS**  trans-168.6128164.760.40000113.2
218L35.9Very low43.3Very low166 Ų166137 Ų13787%0.86975%0.748SS**  trans-64176-175.9-80.6147.6000116.5
219P35.6Very low41.3Very low113 Ų113140 Ų14073%0.73476%0.764SS**  trans-116.6-167.7-151.245-37000115.1
220K31.3Very low40Very low198 Ų198136.7 Ų136.786%0.86177%0.765SS**  trans117.9163.2151.7-161.3172.6-179.6-175.80114.6
221V36.8Very low39.2Very low130 Ų130140.5 Ų140.579%0.78877%0.766SS**  trans82.2153.3175.2-168.20000115.1
222S32Very low38.7Very low87 Ų87137.5 Ų137.561%0.60876%0.757SS**  -176.9134.9-83.554.60000112.1
223L38.9Very low38.2Very low169 Ų169135 Ų13589%0.88576%0.755SS**  trans65.3163.5172-44.7167.5000113
224T33.8Very low37.8Very low108 Ų108131.6 Ų131.666%0.66375%0.745SS**  cis-142.9-179.88.637.50000111.5
225D41Very low37.8Very low115 Ų115134.3 Ų134.362%0.61575%0.746SS**  trans85.4141153.6-58.2-51000121
226K49.5Very low37.7Very low173 Ų173137 Ų13775%0.75275%0.746SS**  cis-172.9153.8-36.1-120.1-178.7-154.5124.30109.9
227S39.8Very low37.8Very low109 Ų109136.3 Ų136.376%0.76274%0.74SS**  trans69.6148.8162.6820000116.1
228I40.4Very low37.7Very low142 Ų142136 Ų13673%0.72873%0.734SS**  cis-147.3124.218.9-73.1172.2000106.8
229I38.2Very low37.8Very low150 Ų150134.8 Ų134.877%0.76973%0.729SS**  67.5128.189.1-72.9169.8000113.4
230C37.5Very low38.1Very low92 Ų92137.3 Ų137.362%0.62274%0.735SS**  -160.7137.661.8-116.30000111.9
231Q38.2Very low38.4Very low172 Ų172136.4 Ų136.480%0.80473%0.734SS**  83.514993.8-79-178.5-2.700117.5
232S36.3Very low38.3Very low89 Ų89137.3 Ų137.362%0.62273%0.734SS**  cis178.1151.2-32.246.30000112
233H36.6Very low38.7Very low174 Ų174139 Ų13981%0.80675%0.746SS**  trans158.7106.2149.5-98.5-78.9000108.8
234S35.4Very low38.7Very low85 Ų85137.8 Ų137.859%0.59474%0.74SS**  70.6137.382.7780000112.9
235E38.3Very low38.9Very low168 Ų168141.7 Ų141.779%0.78575%0.748SS**  cis-135.7133.935.9-73.8139.1-156.600111
236E38.4Very low38.9Very low172 Ų172145.7 Ų145.780%0.80476%0.759SS**  76.2153.696.1-124.3168.1-84.300113
237I40.3Very low38.3Very low149 Ų149141.9 Ų141.976%0.76476%0.755SS**  cis-131.1161.722.7-69169.2000114.6
238T38.4Very low38.6Very low95 Ų95141.9 Ų141.958%0.58375%0.75SS**  trans-48.2174.1-178.467.30000123
239N37.7Very low39Very low141 Ų141138.8 Ų138.875%0.75474%0.741SS**  trans79.1127.5151.2-69.5-24.9000118.6
240L42Very low39.5Very low165 Ų165137.1 Ų137.186%0.86473%0.733SS**  cis-141.8154.411.6-91.4149.5000112.5
241Q37.6Very low40.1Very low179 Ų179135.5 Ų135.584%0.83672%0.723SS**  trans-81.2179.1166.5-69.9176.1-45.100112
242N33.8Very low40.8Very low150 Ų150131.4 Ų131.480%0.80271%0.709SS**  trans78.677.4167.5-59.9-18.2000118.9
243S40.3Very low41.6Very low121 Ų121134.6 Ų134.685%0.84671%0.712SS**  -162.988.8123.1-89.40000113.8
244L38.4Very low42.4Very low145 Ų145133.8 Ų133.876%0.75971%0.706SS**  47.296.7117.2-137.772.3000119.3K246L244-K246 PolarHBondContact O-N 3.44Å
245K39.1Very low43.1Very low190 Ų190133.9 Ų133.983%0.82670%0.7SS**SBendtrans44.472.3130.1-54.4175-178175.90118
246K40Very low44Very low198 Ų198130.8 Ų130.886%0.86169%0.689SS**  trans-163.1-9.9152.1-116.2161-174.1176.80119.1L244L244-K246 PolarHBondContact O-N 3.44Å
247S37.6Very low44.7Very low94 Ų94132.4 Ų132.466%0.65769%0.687SS**  trans-93.19-169.655.70000116.5S249 L250S247-S249 PolarHBondContact O-N 2.81Å; S247-L250 PolarHBondContact O-N 3.18Å; S247-L250 VanDerWaalsContact O-N 3.12Å
248T46Very low45.4Very low109 Ų109132.9 Ų132.967%0.66968%0.684SS**Hα-helixtrans-62.4-13.6-174.7-4.70000114.9S251T248-S251 PolarHBondContact O-OG 3.07Å
249S49Very low46.2Very low76 Ų76137.6 Ų137.653%0.53169%0.691SS.*Hα-helixtrans-78.7-17.3175.861.30000114.6S247 T252S247-S249 PolarHBondContact O-N 2.81Å; S249-T252 PolarHBondContact O-OG1 3.05Å
250L48.8Very low47Very low116 Ų116137.8 Ų137.861%0.60769%0.685SS**Hα-helixtrans-85.9-28176.2-75.199.4000113.1S247 K253 K254S247-L250 PolarHBondContact O-N 3.18Å; S247-L250 VanDerWaalsContact O-N 3.12Å; L250-K253 PolarHBondContact O-N 3.22Å; L250-K254 PolarHBondContact O-N 3.12Å; L250-K254 VanDerWaalsContact O-N 3.09Å
251S49.4Very low47.4Very low57 Ų57137.6 Ų137.640%0.39968%0.677SS.*Hα-helixtrans-68.4-36.8176.881.30000111.2T248 K254 N255T248-S251 PolarHBondContact O-OG 3.07Å; S251-K254 PolarHBondContact O-N 3.11Å; S251-N255 WeakPolarHBondContact O-CB 3.18Å; S251-N255 VanDerWaalsContact O-CG 3.28Å; S251-N255 PolarHBondContact O-N 3.31Å; S251-N255 PolarHBondContact O-ND2 3.19Å
252T53Low48.2Very low86 Ų86132.2 Ų132.253%0.52866%0.663SS.*Hα-helixtrans-64.2-42175.260.60000111.5S249 N255 L256S249-T252 PolarHBondContact O-OG1 3.05Å; T252-N255 PolarHBondContact O-N 3.03Å; T252-L256 VanDerWaalsContact O-CB 3.26Å; T252-L256 WeakPolarHBondContact O-CB 3.46Å; T252-L256 PolarHBondContact O-N 3.44Å
253K53.8Low49.3Very low157 Ų157135.9 Ų135.968%0.68367%0.666SS**Hα-helixtrans-62-41.4172.2-82-180175.9174.30112.8L250 L256 R257L250-K253 PolarHBondContact O-N 3.22Å; K253-L256 PolarHBondContact O-N 2.87Å; K253-R257 PolarHBondContact O-N 2.94Å
254K53.1Low50.1Low157 Ų157135 Ų13568%0.68366%0.655SS**Hα-helixtrans-63.9-42.7173.2-81.4-1791751760111.9L250 S251 R257 K258L250-K254 PolarHBondContact O-N 3.12Å; L250-K254 VanDerWaalsContact O-N 3.09Å; S251-K254 PolarHBondContact O-N 3.11Å; K254-R257 PolarHBondContact O-N 3.17Å; K254-K258 PolarHBondContact O-N 3.12Å
255N50.9Low50.4Low87 Ų87138.9 Ų138.947%0.46566%0.661SS.*Hα-helixtrans-70.1-33.6178.3-72.3-28.2000112.8S251 T252 K258 R259S251-N255 WeakPolarHBondContact O-CB 3.18Å; S251-N255 VanDerWaalsContact O-CG 3.28Å; S251-N255 PolarHBondContact O-N 3.31Å; S251-N255 PolarHBondContact O-ND2 3.19Å; T252-N255 PolarHBondContact O-N 3.03Å; N255-K258 PolarHBondContact O-N 2.97Å; N255-R259 WeakPolarHBondContact O-CB 3.45Å; N255-R259 PolarHBondContact O-N 3.11Å
256L56.1Low51.1Low103 Ų103139.7 Ų139.754%0.53966%0.659SS.*Hα-helixtrans-70.8-37.2173.6-15871.6000111.6T252 K253 R259 K260T252-L256 VanDerWaalsContact O-CB 3.26Å; T252-L256 WeakPolarHBondContact O-CB 3.46Å; T252-L256 PolarHBondContact O-N 3.44Å; K253-L256 PolarHBondContact O-N 2.87Å; L256-R259 PolarHBondContact O-N 2.6Å; L256-K260 WeakPolarHBondContact O-CB 3.44Å; L256-K260 WeakPolarHBondContact O-CG 3.48Å; L256-K260 PolarHBondContact O-N 2.82Å
257R54Low51.9Low205 Ų205136.1 Ų136.177%0.77465%0.654SS**Hα-helixtrans-63.2-42.9169.3-81.6-175.1170.1-171.8-2.5112.1K253 K254 K260 K261K253-R257 PolarHBondContact O-N 2.94Å; K254-R257 PolarHBondContact O-N 3.17Å; R257-K260 PolarHBondContact O-N 3.34Å; R257-K261 PolarHBondContact O-N 2.76Å
258K53.5Low53.1Low159 Ų159141 Ų14169%0.69166%0.658SS**Hα-helixtrans-60.2-43.6172.6-75.5-178.4176.4-177.90111.9K254 N255 A262K254-K258 PolarHBondContact O-N 3.12Å; N255-K258 PolarHBondContact O-N 2.97Å; K258-A262 PolarHBondContact O-N 2.84Å
259R56Low53.9Low194 Ų194146.4 Ų146.473%0.73267%0.666SS**Hα-helixtrans-67.6-35.5175.5-81-178.6164.7-176.2-4.4113.6N255 L256 A262 R263N255-R259 WeakPolarHBondContact O-CB 3.45Å; N255-R259 PolarHBondContact O-N 3.11Å; L256-R259 PolarHBondContact O-N 2.6Å; R259-A262 WeakPolarHBondContact O-CB 3.24Å; R259-A262 PolarHBondContact O-N 2.9Å; R259-A262 VanDerWaalsContact O-N 3.15Å; R259-R263 PolarHBondContact O-N 3.36Å
260K53.8Low54.6Low145 Ų145150.9 Ų150.963%0.6368%0.683SS**Hα-helixtrans-64.5-43.8175.2-79.9-171.7174.4-1700111.9L256 R257 A262 R263 T264L256-K260 WeakPolarHBondContact O-CB 3.44Å; L256-K260 WeakPolarHBondContact O-CG 3.48Å; L256-K260 PolarHBondContact O-N 2.82Å; R257-K260 PolarHBondContact O-N 3.34Å; K260-A262 PolarHBondContact O-N 3.28Å; K260-A262 VanDerWaalsContact O-N 3.1Å; K260-R263 PolarHBondContact O-N 3.15Å; K260-T264 PolarHBondContact O-N 2.89Å; K260-T264 PolarHBondContact O-OG1 2.99Å
261K52Low55.8Low162 Ų162150.3 Ų150.370%0.70468%0.681SS**THydrogen-bonded Turntrans-62.4-12.9172.1-76.7-166.9174.6-170.70114.6R257R257-K261 PolarHBondContact O-N 2.76Å
262A54.5Low57Low65 Ų65156.6 Ų156.654%0.53770%0.701SS.*THydrogen-bonded Turntrans-93.3-13174.200000113.6K258 R259 K260K258-A262 PolarHBondContact O-N 2.84Å; R259-A262 WeakPolarHBondContact O-CB 3.24Å; R259-A262 PolarHBondContact O-N 2.9Å; R259-A262 VanDerWaalsContact O-N 3.15Å; K260-A262 PolarHBondContact O-N 3.28Å; K260-A262 VanDerWaalsContact O-N 3.1Å
263R55.9Low58.3Low228 Ų228159.9 Ų159.986%0.8671%0.705SS**THydrogen-bonded Turntrans-100.9-26.4179-80.7-175.7169.6176.7-4.1113.8R259 K260 Y265R259-R263 PolarHBondContact O-N 3.36Å; K260-R263 PolarHBondContact O-N 3.15Å; R263-Y265 PolarHBondContact O-N 3.37Å
264T56.8Low59.8Low101 Ų101156.3 Ų156.362%0.6269%0.693SS**SBendtrans-78.696.8172.349.10000110.4K260 R266K260-T264 PolarHBondContact O-N 2.89Å; K260-T264 PolarHBondContact O-OG1 2.99Å; T264-R266 PolarHBondContact O-N 3.38Å
265Y44.5Very low61Low227 Ų227157.1 Ų157.189%0.8969%0.693SS**  trans23.578.8159.6-97.3-95.9000115.9R263 V267R263-Y265 PolarHBondContact O-N 3.37Å; Y265-V267 PolarHBondContact O-N 3.21Å; Y265-V267 VanDerWaalsContact O-N 3.09Å
266R54.1Low62.3Low207 Ų207161.7 Ų161.778%0.78170%0.704SS**  trans-72.5100154.9-75.8-178.4176.8164.3-3.7107.1T264 R268T264-R266 PolarHBondContact O-N 3.38Å; R266-R268 PolarHBondContact O-N 3.3Å; R266-R268 VanDerWaalsContact O-N 3.16Å
267V58.3Low63.4Low123 Ų123158.6 Ų158.675%0.74569%0.691SS**  trans-42124.8159.5175.80000106.6Y265 R269Y265-V267 PolarHBondContact O-N 3.21Å; Y265-V267 VanDerWaalsContact O-N 3.09Å; V267-R269 PolarHBondContact O-N 3.41Å
268R62.5Low64.7Low197 Ų197154 Ų15474%0.74368%0.678SS**  trans-58115.4-178.8-172.8-177.4178.2103.911106.8R266 L270 D271R266-R268 PolarHBondContact O-N 3.3Å; R266-R268 VanDerWaalsContact O-N 3.16Å; R268-L270 PolarHBondContact O-N 3.46Å; R268-D271 IonicContact CZ-OD2 3.7Å; R268-D271 IonicContact NE-OD2 3.9Å; R268-D271 IonicContact NH2-OD2 3.41Å; R268-D271 PolarHBondContact NH2-OD2 3.34Å
269R61Low66Low223 Ų223149.6 Ų149.684%0.84266%0.661SS**  trans-52.2127.8169.5-100-173175.6-178.3-2.2106.2V267 D271V267-R269 PolarHBondContact O-N 3.41Å; R269-D271 PolarHBondContact O-N 3.33Å
270L64.5Low66.9Low169 Ų169144.2 Ų144.289%0.88565%0.647SS**  trans-63113.8169.7-78.593.9000106.7R268 F272R268-L270 PolarHBondContact O-N 3.46Å; L270-F272 PolarHBondContact O-N 2.9Å
271D73.5Confident68.1Low105 Ų105141 Ų14156%0.56164%0.639SS**  trans-66.3120172.1-61.7-51.8000106.7R268 R269 Y273R268-D271 IonicContact CZ-OD2 3.7Å; R268-D271 IonicContact NE-OD2 3.9Å; R268-D271 IonicContact NH2-OD2 3.41Å; R268-D271 PolarHBondContact NH2-OD2 3.34Å; R269-D271 PolarHBondContact O-N 3.33Å; D271-Y273 PolarHBondContact O-N 3.27Å; D271-Y273 VanDerWaalsContact O-N 3.11Å
272F75.7Confident69.5Low189 Ų189140.7 Ų140.783%0.82964%0.638SS**SBendtrans-60.3-21.9-177.2177.7-98.4000113.1L270 D274L270-F272 PolarHBondContact O-N 2.9Å; F272-D274 PolarHBondContact O-N 2.84Å; F272-D274 VanDerWaalsContact O-N 3.12Å
273Y81Confident70.6Confident155 Ų155140.9 Ų140.961%0.60863%0.63SS**  trans-78.892.2-177.3-70.3-79.8000112.8D271 Q278D271-Y273 PolarHBondContact O-N 3.27Å; D271-Y273 VanDerWaalsContact O-N 3.11Å; Y273-Q278 PolarHBondContact O-NE2 2.53Å
274D83.6Confident71.8Confident81 Ų81137.3 Ų137.343%0.43362%0.62SS.*  trans-67.7166170.183.5-29.8000112.9F272 R276 S277 Q278F272-D274 PolarHBondContact O-N 2.84Å; F272-D274 VanDerWaalsContact O-N 3.12Å; D274-R276 PolarHBondContact O-N 3.4Å; D274-R276 VanDerWaalsContact OD2-CB 3.24Å; D274-R276 WeakPolarHBondContact OD2-CB 3.49Å; D274-S277 PolarHBondContact O-N 3.39Å; D274-S277 WeakPolarHBondContact OD1-CB 3.47Å; D274-S277 PolarHBondContact OD1-N 3.43Å; D274-S277 PolarHBondContact OD1-OG 3.29Å; D274-Q278 WeakPolarHBondContact O-CG 3.5Å; D274-Q278 PolarHBondContact O-N 2.89Å
275Y80Confident73Confident174 Ų174138 Ų13868%0.68262%0.62SS**Hα-helixtrans-57.8-33.2179.7179.3-114.9000112.7Q278 I279Y275-Q278 PolarHBondContact O-N 3.49Å; Y275-I279 HydrophobicContact CD1-CD1 3.84Å; Y275-I279 HydrophobicContact CE1-CD1 3.42Å; Y275-I279 VanDerWaalsContact CE1-CD1 3.42Å; Y275-I279 HydrophobicContact CE1-CG1 4.46Å; Y275-I279 HydrophobicContact CE2-CD1 4.2Å; Y275-I279 HydrophobicContact CE2-CG1 4.45Å; Y275-I279 HydrophobicContact CG-CD1 4.39Å; Y275-I279 WeakPolarHBondContact O-CG1 3.26Å; Y275-I279 PolarHBondContact O-N 3Å
276R76.7Confident74.8Confident184 Ų184131 Ų13169%0.69459%0.594SS**Hα-helixtrans-66.6-45.8177.4-172.5-173.5177.4114.32.6111.7D274 Q278 I279 L280D274-R276 PolarHBondContact O-N 3.4Å; D274-R276 VanDerWaalsContact OD2-CB 3.24Å; D274-R276 WeakPolarHBondContact OD2-CB 3.49Å; R276-Q278 VanDerWaalsContact C-N 3.31Å; R276-Q278 PolarHBondContact O-N 3.47Å; R276-I279 PolarHBondContact O-N 2.99Å; R276-L280 WeakPolarHBondContact O-CG 3.46Å; R276-L280 PolarHBondContact O-N 2.88Å
277S79.5Confident75.9Confident38 Ų38121.8 Ų121.827%0.26656%0.56SS.*Hα-helixtrans-62-41.4176.1-590000111.1D274 I279 L280 V281D274-S277 PolarHBondContact O-N 3.39Å; D274-S277 WeakPolarHBondContact OD1-CB 3.47Å; D274-S277 PolarHBondContact OD1-N 3.43Å; D274-S277 PolarHBondContact OD1-OG 3.29Å; S277-I279 PolarHBondContact O-N 3.28Å; S277-L280 PolarHBondContact O-N 3.22Å; S277-V281 WeakPolarHBondContact O-CG2 3.23Å; S277-V281 PolarHBondContact O-N 3.49Å
278Q80.7Confident76.7Confident109 Ų109118.3 Ų118.351%0.50954%0.541SS..Hα-helixtrans-61.2-43.6175.9-66.41723500112.3Y273 D274 Y275 R276 V281 K282Y273-Q278 PolarHBondContact O-NE2 2.53Å; D274-Q278 WeakPolarHBondContact O-CG 3.5Å; D274-Q278 PolarHBondContact O-N 2.89Å; Y275-Q278 PolarHBondContact O-N 3.49Å; R276-Q278 VanDerWaalsContact C-N 3.31Å; R276-Q278 PolarHBondContact O-N 3.47Å; Q278-V281 PolarHBondContact O-N 3.17Å; Q278-K282 VanDerWaalsContact O-CB 3.27Å; Q278-K282 WeakPolarHBondContact O-CB 3.37Å; Q278-K282 PolarHBondContact O-N 3.47Å
279I80.7Confident77.5Confident65 Ų65116.1 Ų116.133%0.33353%0.534SS..Hα-helixtrans-61.9-45.8174.4-70.4165.1000111.2Y275 R276 S277 V281 K282 N283Y275-I279 HydrophobicContact CD1-CD1 3.84Å; Y275-I279 HydrophobicContact CE1-CD1 3.42Å; Y275-I279 VanDerWaalsContact CE1-CD1 3.42Å; Y275-I279 HydrophobicContact CE1-CG1 4.46Å; Y275-I279 HydrophobicContact CE2-CD1 4.2Å; Y275-I279 HydrophobicContact CE2-CG1 4.45Å; Y275-I279 HydrophobicContact CG-CD1 4.39Å; Y275-I279 WeakPolarHBondContact O-CG1 3.26Å; Y275-I279 PolarHBondContact O-N 3Å; R276-I279 PolarHBondContact O-N 2.99Å; S277-I279 PolarHBondContact O-N 3.28Å; I279-V281 PolarHBondContact O-N 2.77Å; I279-K282 PolarHBondContact O-N 2.93Å; I279-N283 WeakPolarHBondContact O-CB 3.27Å; I279-N283 VanDerWaalsContact O-CG 3.3Å; I279-N283 PolarHBondContact O-N 3.08Å; I279-N283 PolarHBondContact O-OD1 3.07Å
280L76.3Confident78.4Confident81 Ų81106.7 Ų106.742%0.42450%0.5SS..Hα-helixtrans-62-42.4-179.2-70.3172.1000112R276 S277 K284R276-L280 WeakPolarHBondContact O-CG 3.46Å; R276-L280 PolarHBondContact O-N 2.88Å; S277-L280 PolarHBondContact O-N 3.22Å; L280-K284 WeakPolarHBondContact O-CB 3.44Å; L280-K284 PolarHBondContact O-N 3.08Å
281V79.4Confident78.8Confident78 Ų7898.9 Ų98.947%0.47346%0.459SS..Hα-helixtrans-66.1-46.6175174.20000110.9S277 Q278 I279 N283 K284 L285S277-V281 WeakPolarHBondContact O-CG2 3.23Å; S277-V281 PolarHBondContact O-N 3.49Å; Q278-V281 PolarHBondContact O-N 3.17Å; I279-V281 PolarHBondContact O-N 2.77Å; V281-N283 VanDerWaalsContact C-N 3.34Å; V281-N283 PolarHBondContact O-N 2.96Å; V281-K284 PolarHBondContact O-N 3.25Å; V281-L285 HydrophobicContact CG1-CD1 3.97Å; V281-L285 HydrophobicContact CG1-CG 4.42Å; V281-L285 WeakPolarHBondContact O-CG 3.22Å; V281-L285 PolarHBondContact O-N 2.86Å
282K79.7Confident78.9Confident156 Ų15697.9 Ų97.968%0.67845%0.454SS*.Hα-helixtrans-58.9-43.9178.2-174.1179.9179.9-176.60111.9Q278 I279 L285 K286Q278-K282 VanDerWaalsContact O-CB 3.27Å; Q278-K282 WeakPolarHBondContact O-CB 3.37Å; Q278-K282 PolarHBondContact O-N 3.47Å; I279-K282 PolarHBondContact O-N 2.93Å; K282-L285 PolarHBondContact O-N 2.8Å; K282-K286 WeakPolarHBondContact O-CB 3.47Å; K282-K286 PolarHBondContact O-N 3.21Å
283N78.7Confident79Confident69 Ų6993.3 Ų93.337%0.36943%0.434SS..Hα-helixtrans-67.9-42.1178.6-70.514.2000111.2I279 V281 L285 K286 I287I279-N283 WeakPolarHBondContact O-CB 3.27Å; I279-N283 VanDerWaalsContact O-CG 3.3Å; I279-N283 PolarHBondContact O-N 3.08Å; I279-N283 PolarHBondContact O-OD1 3.07Å; V281-N283 VanDerWaalsContact C-N 3.34Å; V281-N283 PolarHBondContact O-N 2.96Å; N283-L285 VanDerWaalsContact C-N 3.31Å; N283-L285 PolarHBondContact O-N 2.86Å; N283-K286 PolarHBondContact O-N 3.37Å; N283-I287 WeakPolarHBondContact O-CB 3.1Å; N283-I287 VanDerWaalsContact O-CG1 3.25Å; N283-I287 WeakPolarHBondContact O-CG1 3.38Å; N283-I287 PolarHBondContact O-N 2.99Å
284K80.4Confident78.3Confident152 Ų15290.1 Ų90.166%0.66142%0.424SS*.Hα-helixtrans-59.7-40.5174.6-172.2177.9-178.7-179.10112L280 V281 S288L280-K284 WeakPolarHBondContact O-CB 3.44Å; L280-K284 PolarHBondContact O-N 3.08Å; V281-K284 PolarHBondContact O-N 3.25Å; K284-S288 WeakPolarHBondContact O-CB 3.4Å; K284-S288 PolarHBondContact O-N 3.08Å
285L82.3Confident77.1Confident115 Ų11589.5 Ų89.560%0.60242%0.42SS*.Hα-helixtrans-69.1-42.1175.4-68173.2000112.3V281 K282 N283 S288 Y289V281-L285 HydrophobicContact CG1-CD1 3.97Å; V281-L285 HydrophobicContact CG1-CG 4.42Å; V281-L285 WeakPolarHBondContact O-CG 3.22Å; V281-L285 PolarHBondContact O-N 2.86Å; K282-L285 PolarHBondContact O-N 2.8Å; N283-L285 VanDerWaalsContact C-N 3.31Å; N283-L285 PolarHBondContact O-N 2.86Å; L285-S288 PolarHBondContact O-N 2.8Å; L285-Y289 WeakPolarHBondContact O-CB 3.4Å; L285-Y289 PolarHBondContact O-N 3.03Å
286K81.6Confident75.9Confident80 Ų8085.2 Ų85.235%0.34841%0.413SS..Hα-helixtrans-59.3-45.6174-177179.1167.8-169.60111K282 N283 Y289 L290 I413 L414K282-K286 WeakPolarHBondContact O-CB 3.47Å; K282-K286 PolarHBondContact O-N 3.21Å; N283-K286 PolarHBondContact O-N 3.37Å; K286-Y289 PolarHBondContact O-N 3.21Å; K286-L290 HydrophobicContact CG-CD1 4.1Å; K286-L290 VanDerWaalsContact O-CG 3.31Å; K286-L290 WeakPolarHBondContact O-CG 3.27Å; K286-L290 PolarHBondContact O-N 3.3Å; K286-I413 PolarHBondContact NZ-O 3.1Å; K286-L414 HydrophobicContact CD-CD2 3.82Å; K286-L414 HydrophobicContact CG-CD2 4.07Å; K286-L414 PolarHBondContact NZ-O 3.31Å
287I77.3Confident74.8Confident14 Ų1479.1 Ų79.17%0.07240%0.396CS..Hα-helixtrans-60.4-51.3176.1-69163.8000110.8N283 Y289 L290 L291 L362 T363 L414N283-I287 WeakPolarHBondContact O-CB 3.1Å; N283-I287 VanDerWaalsContact O-CG1 3.25Å; N283-I287 WeakPolarHBondContact O-CG1 3.38Å; N283-I287 PolarHBondContact O-N 2.99Å; I287-Y289 VanDerWaalsContact C-N 3.31Å; I287-Y289 PolarHBondContact O-N 3.41Å; I287-L290 PolarHBondContact O-N 2.83Å; I287-L291 HydrophobicContact CG2-CD1 3.68Å; I287-L291 HydrophobicContact CG2-CG 4.3Å; I287-L291 WeakPolarHBondContact O-CG 3.49Å; I287-L291 PolarHBondContact O-N 3.09Å; I287-L362 HydrophobicContact CD1-CB 4.2Å; I287-L362 HydrophobicContact CG1-CD1 4.37Å; I287-L362 HydrophobicContact CG2-CD1 3.75Å; I287-T363 HydrophobicContact CD1-CG2 4.12Å; I287-L414 HydrophobicContact CD1-CD1 4.08Å; I287-L414 HydrophobicContact CG1-CD1 3.78Å; I287-L414 HydrophobicContact CG1-CD2 3.82Å; I287-L414 HydrophobicContact CG1-CG 4.46Å
288S74.7Confident73.5Confident50 Ų5082.5 Ų82.535%0.3541%0.406SS..Hα-helixtrans-58.4-42.4178.6-173.70000112.2K284 L285 N292K284-S288 WeakPolarHBondContact O-CB 3.4Å; K284-S288 PolarHBondContact O-N 3.08Å; L285-S288 PolarHBondContact O-N 2.8Å; S288-N292 WeakPolarHBondContact O-CB 3.31Å; S288-N292 PolarHBondContact O-N 3.43Å; S288-N292 VanDerWaalsContact O-N 3.08Å; S288-N292 PolarHBondContact O-ND2 3.5Å
289Y80.6Confident71.9Confident152 Ų15284.1 Ų84.160%0.59642%0.418SS*.Hα-helixtrans-63.6-46.3176.2174.4-97.8000112.3L285 K286 I287 N292 K293L285-Y289 WeakPolarHBondContact O-CB 3.4Å; L285-Y289 PolarHBondContact O-N 3.03Å; K286-Y289 PolarHBondContact O-N 3.21Å; I287-Y289 VanDerWaalsContact C-N 3.31Å; I287-Y289 PolarHBondContact O-N 3.41Å; Y289-N292 PolarHBondContact O-N 2.78Å; Y289-K293 HydrophobicContact CE1-CD 4.39Å; Y289-K293 WeakPolarHBondContact O-CB 3.45Å; Y289-K293 PolarHBondContact O-N 2.97Å
290L78.9Confident70.2Confident24 Ų2488.1 Ų88.113%0.12644%0.44CS..Hα-helixtrans-64.6-43.8179.4-70.7173.6000111.9K286 I287 K293 E294 L410 I413K286-L290 HydrophobicContact CG-CD1 4.1Å; K286-L290 VanDerWaalsContact O-CG 3.31Å; K286-L290 WeakPolarHBondContact O-CG 3.27Å; K286-L290 PolarHBondContact O-N 3.3Å; I287-L290 PolarHBondContact O-N 2.83Å; L290-K293 PolarHBondContact O-N 3.27Å; L290-E294 PolarHBondContact O-N 2.98Å; L290-L410 HydrophobicContact CB-CD2 4Å; L290-L410 HydrophobicContact CD1-CD2 4.3Å; L290-I413 HydrophobicContact CD1-CG2 4.09Å
291L73.9Confident68.7Low5 Ų594.5 Ų94.53%0.02646%0.458CS..Hα-helixtrans-60.6-47.2176.8-71.1170.4000111.7I287 K293 E294 L295 H355 I358 L410I287-L291 HydrophobicContact CG2-CD1 3.68Å; I287-L291 HydrophobicContact CG2-CG 4.3Å; I287-L291 WeakPolarHBondContact O-CG 3.49Å; I287-L291 PolarHBondContact O-N 3.09Å; L291-K293 VanDerWaalsContact C-N 3.32Å; L291-K293 PolarHBondContact O-N 3.22Å; L291-E294 PolarHBondContact O-N 3.46Å; L291-L295 WeakPolarHBondContact O-CB 3.4Å; L291-L295 WeakPolarHBondContact O-CD1 3.47Å; L291-L295 WeakPolarHBondContact O-CG 3.25Å; L291-L295 PolarHBondContact O-N 3.45Å; L291-H355 WeakPolarHBondContact CB-NE2 3.27Å; L291-H355 VanDerWaalsContact CD1-CE1 3.47Å; L291-H355 WeakPolarHBondContact CD1-CE1 3.36Å; L291-I358 HydrophobicContact CD2-CB 4.17Å; L291-I358 HydrophobicContact CD2-CD1 4.44Å; L291-I358 HydrophobicContact CD2-CG2 3.64Å; L291-L410 HydrophobicContact CD2-CD1 3.5Å; L291-L410 VanDerWaalsContact CD2-CD1 3.5Å; L291-L410 HydrophobicContact CG-CD1 4.26Å
292N75.6Confident66.9Low85 Ų8595.8 Ų95.846%0.45546%0.46SS..Hα-helixtrans-63.2-37.7175.8-78.2-68.6000112.1S288 Y289 T296S288-N292 WeakPolarHBondContact O-CB 3.31Å; S288-N292 PolarHBondContact O-N 3.43Å; S288-N292 VanDerWaalsContact O-N 3.08Å; S288-N292 PolarHBondContact O-ND2 3.5Å; Y289-N292 PolarHBondContact O-N 2.78Å; N292-T296 WeakPolarHBondContact O-CB 3.42Å; N292-T296 VanDerWaalsContact O-CG2 3.26Å; N292-T296 WeakPolarHBondContact O-CG2 3.35Å; N292-T296 PolarHBondContact O-N 3.44Å; N292-T296 PolarHBondContact O-OG1 3.4Å
293K77.5Confident65Low93 Ų93100.2 Ų100.240%0.40447%0.472SS..Hα-helixtrans-62.9-54.3176.4-173.3-175.2173.8-165.50111.2Y289 L290 L291 L295 T296 T297Y289-K293 HydrophobicContact CE1-CD 4.39Å; Y289-K293 WeakPolarHBondContact O-CB 3.45Å; Y289-K293 PolarHBondContact O-N 2.97Å; L290-K293 PolarHBondContact O-N 3.27Å; L291-K293 VanDerWaalsContact C-N 3.32Å; L291-K293 PolarHBondContact O-N 3.22Å; K293-L295 VanDerWaalsContact C-N 3.34Å; K293-L295 PolarHBondContact O-N 3.06Å; K293-T296 PolarHBondContact O-N 2.87Å; K293-T296 PolarHBondContact O-OG1 3.38Å; K293-T297 HydrophobicContact CG-CG2 4.36Å; K293-T297 WeakPolarHBondContact O-CG2 3.35Å; K293-T297 PolarHBondContact O-N 3.25Å; K293-T297 PolarHBondContact O-OG1 2.91Å
294E66.1Low62.8Low88 Ų88101.2 Ų101.241%0.41149%0.485SS..Hα-helixtrans-66.5-34.2-176.2-64-51.4133.200113L290 L291 T297 K298L290-E294 PolarHBondContact O-N 2.98Å; L291-E294 PolarHBondContact O-N 3.46Å; E294-T297 WeakPolarHBondContact CA-OG1 3.5Å; E294-T297 PolarHBondContact O-OG1 3.37Å; E294-K298 WeakPolarHBondContact O-CG 3.43Å; E294-K298 PolarHBondContact O-N 3.39Å
295L57.8Low60.5Low67 Ų67105.4 Ų105.435%0.35150%0.496SS..Hα-helixtrans-75-26.2176.2-70.1165.6000113.1L291 K293 H355L291-L295 WeakPolarHBondContact O-CB 3.4Å; L291-L295 WeakPolarHBondContact O-CD1 3.47Å; L291-L295 WeakPolarHBondContact O-CG 3.25Å; L291-L295 PolarHBondContact O-N 3.45Å; K293-L295 VanDerWaalsContact C-N 3.34Å; K293-L295 PolarHBondContact O-N 3.06Å; L295-H355 HydrophobicContact CD1-CB 4.42Å
296T56Low58.2Low84 Ų84105.7 Ų105.752%0.51550%0.497SS..Hα-helixtrans-85.5-30.8174.652.80000113.1N292 K293N292-T296 WeakPolarHBondContact O-CB 3.42Å; N292-T296 VanDerWaalsContact O-CG2 3.26Å; N292-T296 WeakPolarHBondContact O-CG2 3.35Å; N292-T296 PolarHBondContact O-N 3.44Å; N292-T296 PolarHBondContact O-OG1 3.4Å; K293-T296 PolarHBondContact O-N 2.87Å; K293-T296 PolarHBondContact O-OG1 3.38Å
297T54Low55.8Low57 Ų57109.5 Ų109.535%0.3552%0.52SS..Hα-helixtrans-72.8-33.4177.351.10000113.4K293 E294K293-T297 HydrophobicContact CG-CG2 4.36Å; K293-T297 WeakPolarHBondContact O-CG2 3.35Å; K293-T297 PolarHBondContact O-N 3.25Å; K293-T297 PolarHBondContact O-OG1 2.91Å; E294-T297 WeakPolarHBondContact CA-OG1 3.5Å; E294-T297 PolarHBondContact O-OG1 3.37Å
298K51.4Low53.7Low108 Ų108114.3 Ų114.347%0.4755%0.552SS.*Hα-helixtrans-68.7-42.6175.2-72.3-169.1175.2-161.70113.1E294 N300 R301 E302E294-K298 WeakPolarHBondContact O-CG 3.43Å; E294-K298 PolarHBondContact O-N 3.39Å; K298-N300 PolarHBondContact O-N 2.94Å; K298-R301 PolarHBondContact O-N 3Å; K298-E302 PolarHBondContact O-N 2.96Å
299N46.2Very low51.7Low143 Ų143119.4 Ų119.477%0.76558%0.575SS**THydrogen-bonded Turntrans-59.1-19.2178.7-104.1-31.1000114.7
300N45Very low49.3Very low149 Ų149119.9 Ų119.980%0.79759%0.588SS**THydrogen-bonded Turntrans-105.80.5177-83.1-39.1000114.6K298K298-N300 PolarHBondContact O-N 2.94Å
301R45.6Very low47.2Very low215 Ų215128.1 Ų128.181%0.81162%0.623SS**THydrogen-bonded Turntrans-125-22.5-176.8-77.4-173.2170.9-175.6-2.8116K298 R303K298-R301 PolarHBondContact O-N 3Å; R301-R303 VanDerWaalsContact C-N 3.29Å; R301-R303 PolarHBondContact O-N 3.26Å
302E41.6Very low45.2Very low106 Ų106133.6 Ų133.650%0.49566%0.661SS.*THydrogen-bonded Turntrans-82.84-177.7-79170.5156.600115K298 S304 I306K298-E302 PolarHBondContact O-N 2.96Å; E302-S304 PolarHBondContact O-N 3.24Å; E302-I306 HydrophobicContact CB-CD1 4.34Å; E302-I306 HydrophobicContact CG-CD1 4.21Å; E302-I306 HydrophobicContact CG-CG1 4.45Å
303R39.7Very low43.1Very low248 Ų248139.4 Ų139.494%0.93668%0.682SS**THydrogen-bonded Turntrans-70.1-6.1172.7-155.7172.1-173.5176.52.4113.8R301R301-R303 VanDerWaalsContact C-N 3.29Å; R301-R303 PolarHBondContact O-N 3.26Å
304S32.8Very low40.8Very low91 Ų91143 Ų14364%0.63670%0.704SS**SBendtrans-147.1124.7175.6-60.50000110.6E302E302-S304 PolarHBondContact O-N 3.24Å
305R31.5Very low39.2Very low239 Ų239144.6 Ų144.690%0.90272%0.723SS**  trans7676.1173.4-45.8172.9-169.2-174.72.2116.1
306I34Very low38.2Very low122 Ų122149.4 Ų149.463%0.62675%0.748SS**  trans-106.696.6146.2-58.6177.9000107E302E302-I306 HydrophobicContact CB-CD1 4.34Å; E302-I306 HydrophobicContact CG-CD1 4.21Å; E302-I306 HydrophobicContact CG-CG1 4.45Å
307L30.7Very low37.2Very low159 Ų159154.2 Ų154.283%0.83276%0.761SS**PPolyproline II helixtrans-89.3124.1157.2-74.2169.7000106.3L309L307-L309 PolarHBondContact O-N 3.42Å
308P34.4Very low36.1Very low115 Ų115158 Ų15875%0.74778%0.779SS**PPolyproline II helixtrans-61120.3171.8-21.533.6000109.6
309L33.1Very low35.4Very low157 Ų157160.8 Ų160.882%0.82279%0.788SS**PPolyproline II helixtrans-71.3128.5170.3-90.5159.6000109.1L307 F311L307-L309 PolarHBondContact O-N 3.42Å; L309-F311 PolarHBondContact O-N 2.93Å
310D29.1Very low34.8Very low162 Ų162159.2 Ų159.287%0.86678%0.775SS**PPolyproline II helixtrans-54.6118.3-179.2-74.3-71.8000112.5
311F34.3Very low34.4Very low197 Ų197159.4 Ų159.486%0.86477%0.769SS**  trans-106.6121.2156.7-85.8-81.6000110L309L309-F311 PolarHBondContact O-N 2.93Å
312C32.5Very low33.8Very low121 Ų121154.5 Ų154.582%0.81877%0.768SS**  trans-28.6127.6-177.6-58.10000116.8
313K32.5Very low33.7Very low206 Ų206154.2 Ų154.290%0.89677%0.773SS**  trans-53.6134.8164.4-65.3169.2179170.70110.9
314L29.1Very low33.5Very low168 Ų168149.5 Ų149.588%0.8877%0.767SS**  trans-113.9141158.3-135.877.5000109.3
315P32.9Very low33.9Very low123 Ų123150.8 Ų150.880%0.79977%0.773SS**  trans-80.6149.8-162.4-16.432.9000115.8
316L36.8Very low34.5Very low167 Ų167145 Ų14587%0.87477%0.767SS**  trans-68.3163.9161-72.9163.5000111.6
317K34.9Very low34.6Very low185 Ų185143.3 Ų143.380%0.80477%0.771SS**  trans103.3131174.3-63.6-76.2177.9174.50112.7
318L31.2Very low35.2Very low136 Ų136147.4 Ų147.471%0.71278%0.775SS**  cis-148-175.6-1.5-74.2130.3000107.2
319Y35.1Very low35.4Very low168 Ų168147.5 Ų147.566%0.65978%0.776SS**  cis-165.8142.117.7-153.7-141.9000110.2
320E33.3Very low35.5Very low109 Ų109146 Ų14651%0.50977%0.769SS.*  37.9162.4129.3-70-163.9172.800124.4
321K36.7Very low36.1Very low154 Ų154145.2 Ų145.267%0.6777%0.77SS**  cis-155.7145.1-3.2-130.3179.4-170.7112.50109
322S33.9Very low36.6Very low112 Ų112142 Ų14278%0.78376%0.761SS**  trans-16687.2141.7-165.50000111.2
323T39.5Very low36.9Very low99 Ų99142 Ų14261%0.60776%0.759SS**  trans41.5104.5135.431.40000122.7
324N36.2Very low37.5Very low150 Ų150137.9 Ų137.980%0.80275%0.754SS**  88.9117.4129.6-58.7-11000121.2
325P41.1Very low37.6Very low118 Ų118137 Ų13777%0.76675%0.75SS**  trans-102.1-153.9174.146.3-39000110.3
326P42.8Very low37.8Very low118 Ų118138.5 Ų138.577%0.76675%0.75SS**  cis-141.7-167-0.340.6-18.8000117.2
327A37.8Very low37.6Very low86 Ų86136.6 Ų136.671%0.71175%0.745SS**  trans102.4107152.100000119.3
328R41.8Very low37.7Very low244 Ų244133.6 Ų133.692%0.92174%0.742SS**  -168.7152.8102-94.2164.7-160.3-1123.6111.1
329P39.1Very low37.8Very low118 Ų118132.4 Ų132.477%0.76675%0.745SS**  trans-105.1161.5-171.739.7-34.3000114.8
330N35Very low37.8Very low126 Ų126133.9 Ų133.967%0.67476%0.755SS**  trans59.9103.8142.7-168.610.4000120
331V42.4Very low37.5Very low145 Ų145137.3 Ų137.388%0.87977%0.771SS**  trans-137.2134.6137.8-177.80000108.8
332N44.7Very low37.2Very low130 Ų130138.3 Ų138.370%0.69578%0.783SS**PPolyproline II helixtrans-72.6157.9-175.4-71.5-64.5000114.4
333P38.4Very low37.3Very low119 Ų119135.5 Ų135.577%0.77377%0.766SS**PPolyproline II helixtrans-84.7143.9173.134.6-33.7000112.3
334P44.7Very low36.8Very low120 Ų120137.8 Ų137.878%0.77977%0.774SS**PPolyproline II helixtrans-96.1142.6164.633.7-28.6000112.2
335N32.2Very low36.6Very low151 Ų151134 Ų13481%0.80776%0.758SS**PPolyproline II helixtrans-55.5134.7172.6-78.1-67.1000112.4
336I37.2Very low36.3Very low153 Ų153131.8 Ų131.879%0.78575%0.745SS**  trans-120.699.9149.7-65.5-178.3000107.8V338I336-V338 HydrophobicContact CG2-CG2 4.08Å; I336-V338 PolarHBondContact O-N 2.86Å
337T32Very low35.8Very low127 Ų127132.2 Ų132.278%0.77974%0.74SS**  trans-70.7110.8168.642.40000110
338V36Very low35.5Very low123 Ų123133.2 Ų133.275%0.74573%0.733SS**  trans-127.9115159.3176.70000108.9I336I336-V338 HydrophobicContact CG2-CG2 4.08Å; I336-V338 PolarHBondContact O-N 2.86Å
339S33.5Very low35.2Very low110 Ų110129.9 Ų129.977%0.76972%0.721SS**  trans35.5110.8156.5-53.40000119.5
340K35.2Very low35.9Very low199 Ų199129.9 Ų129.987%0.86571%0.71SS**  trans-57.8167147.2-71.4172.5175.8172.10110.6
341E28Very low36.9Very low182 Ų182126.9 Ų126.985%0.8570%0.696SS**  trans82.8144.8175.5-51.2-163.6134.900116.1
342L30Very low37.9Very low175 Ų175126.8 Ų126.892%0.91668%0.684SS**  trans71.4127.6-177-47.2162.1000113.1
343A35.2Very low39.2Very low53 Ų53123.8 Ų123.844%0.43867%0.668SS.*  cis-147.9108.817.600000113.2P345 S346A343-P345 HydrophobicContact CB-CB 4.35Å; A343-P345 HydrophobicContact CB-CG 4.23Å; A343-S346 PolarHBondContact O-N 3.3Å; A343-S346 VanDerWaalsContact O-N 3.1Å; A343-S346 PolarHBondContact O-OG 2.96Å; A343-S346 VanDerWaalsContact O-OG 3.11Å
344L30.3Very low41.2Very low147 Ų147120.5 Ų120.577%0.7764%0.643SS**THydrogen-bonded Turntrans-40.7-32.8160.3-136.276000114.7S346L344-S346 PolarHBondContact O-N 3.05Å; L344-S346 VanDerWaalsContact O-N 3.11Å
345P31Very low42.8Very low71 Ų71117 Ų11746%0.46162%0.616SS.*THydrogen-bonded Turntrans-49.5-19.5169.5-36.635.6000119.5A343 R349A343-P345 HydrophobicContact CB-CB 4.35Å; A343-P345 HydrophobicContact CB-CG 4.23Å; P345-R349 WeakPolarHBondContact O-CG 3.29Å
346S33.9Very low45.3Very low71 Ų71115 Ų11550%0.49760%0.602SS.*THydrogen-bonded Turntrans-76-44.8-179.453.70000112.8A343 L344 L348 R349A343-S346 PolarHBondContact O-N 3.3Å; A343-S346 VanDerWaalsContact O-N 3.1Å; A343-S346 PolarHBondContact O-OG 2.96Å; A343-S346 VanDerWaalsContact O-OG 3.11Å; L344-S346 PolarHBondContact O-N 3.05Å; L344-S346 VanDerWaalsContact O-N 3.11Å; S346-L348 VanDerWaalsContact C-N 3.27Å; S346-L348 PolarHBondContact O-N 3.16Å; S346-R349 WeakPolarHBondContact O-CB 3.48Å; S346-R349 PolarHBondContact O-N 3.23Å; S346-R349 VanDerWaalsContact O-N 3.08Å
347L33.8Very low47.7Very low127 Ų127109.5 Ų109.567%0.66557%0.573SS**Hα-helixtrans-65.3-30.9176-69.3173.4000112.4R349 H350L347-R349 PolarHBondContact O-N 3.34Å; L347-H350 PolarHBondContact O-N 3.39Å
348L31.5Very low50.2Low107 Ų107103.8 Ų103.856%0.5654%0.538SS*.Hα-helixtrans-68.7-16.5173.4-81.3164.9000114.3S346 T351S346-L348 VanDerWaalsContact C-N 3.27Å; S346-L348 PolarHBondContact O-N 3.16Å; L348-T351 PolarHBondContact O-OG1 3.19Å
349R34.7Very low52.5Low174 Ų17499.6 Ų99.666%0.65751%0.514SS*.Hα-helixtrans-76.8-49173.3-67.5174.1-160.9-130.56.9110.6P345 S346 L347 T351 K352 D353P345-R349 WeakPolarHBondContact O-CG 3.29Å; S346-R349 WeakPolarHBondContact O-CB 3.48Å; S346-R349 PolarHBondContact O-N 3.23Å; S346-R349 VanDerWaalsContact O-N 3.08Å; L347-R349 PolarHBondContact O-N 3.34Å; R349-T351 PolarHBondContact O-N 3.13Å; R349-T351 VanDerWaalsContact O-N 3.15Å; R349-K352 WeakPolarHBondContact O-CB 3.29Å; R349-K352 PolarHBondContact O-N 2.81Å; R349-D353 PolarHBondContact O-N 2.85Å
350H53.6Low55Low118 Ų11896.2 Ų96.255%0.54649%0.487SS..Hα-helixtrans-54-37.8179.6-82-54.3000113.3L347 K352 D353 I354L347-H350 PolarHBondContact O-N 3.39Å; H350-K352 VanDerWaalsContact C-N 3.27Å; H350-K352 PolarHBondContact O-N 2.64Å; H350-D353 PolarHBondContact O-N 2.88Å; H350-D353 VanDerWaalsContact O-N 3.17Å; H350-I354 HydrophobicContact CB-CD1 4.37Å; H350-I354 WeakPolarHBondContact O-CB 3.34Å; H350-I354 WeakPolarHBondContact O-CD1 3.3Å; H350-I354 WeakPolarHBondContact O-CG1 3.35Å; H350-I354 PolarHBondContact O-N 2.7Å
351T57Low57.5Low62 Ų6287 Ų8738%0.3845%0.447SS..Hα-helixtrans-62.7-32.1178.463.10000113.4L348 R349 H355L348-T351 PolarHBondContact O-OG1 3.19Å; R349-T351 PolarHBondContact O-N 3.13Å; R349-T351 VanDerWaalsContact O-N 3.15Å; T351-H355 WeakPolarHBondContact O-CB 3.4Å; T351-H355 PolarHBondContact O-N 2.98Å; T351-H355 VanDerWaalsContact O-N 3.12Å
352K62.6Low60.2Low144 Ų14478.9 Ų78.963%0.62641%0.41SS*.Hα-helixtrans-74-36.6175.5-64.9-178.1179.7179.30111.8R349 H350 Q356R349-K352 WeakPolarHBondContact O-CB 3.29Å; R349-K352 PolarHBondContact O-N 2.81Å; H350-K352 VanDerWaalsContact C-N 3.27Å; H350-K352 PolarHBondContact O-N 2.64Å; K352-Q356 VanDerWaalsContact O-CG 3.3Å; K352-Q356 WeakPolarHBondContact O-CG 3.38Å; K352-Q356 PolarHBondContact O-N 2.72Å; K352-Q356 PolarHBondContact O-NE2 3.13Å; K352-Q356 VanDerWaalsContact O-NE2 3.14Å
353D71.5Confident62.7Low66 Ų6672.8 Ų72.835%0.35338%0.38SS..Hα-helixtrans-72.1-45.2179.4-57.5-29.9000110.3R349 H350 H355 Q356 H357R349-D353 PolarHBondContact O-N 2.85Å; H350-D353 PolarHBondContact O-N 2.88Å; H350-D353 VanDerWaalsContact O-N 3.17Å; D353-H355 VanDerWaalsContact C-N 3.35Å; D353-H355 PolarHBondContact O-N 3.14Å; D353-Q356 CarbonylContact O-C 3.55Å; D353-Q356 WeakPolarHBondContact O-CA 3.39Å; D353-Q356 WeakPolarHBondContact O-CB 3.5Å; D353-Q356 PolarHBondContact O-N 3.01Å; D353-H357 PolarHBondContact O-CD2 3.22Å; D353-H357 PolarHBondContact O-N 3.33Å
354I80.4Confident65Low50 Ų5071.9 Ų71.926%0.25637%0.369SS..Hα-helixtrans-54.8-47.7171.5-68.5161.9000111H350 Q356 H357 I358 E403H350-I354 HydrophobicContact CB-CD1 4.37Å; H350-I354 WeakPolarHBondContact O-CB 3.34Å; H350-I354 WeakPolarHBondContact O-CD1 3.3Å; H350-I354 WeakPolarHBondContact O-CG1 3.35Å; H350-I354 PolarHBondContact O-N 2.7Å; I354-Q356 VanDerWaalsContact C-N 3.29Å; I354-Q356 PolarHBondContact O-N 2.86Å; I354-H357 PolarHBondContact O-N 3.41Å; I354-I358 HydrophobicContact CG2-CD1 3.64Å; I354-I358 HydrophobicContact CG2-CG1 4.46Å; I354-I358 WeakPolarHBondContact O-CG1 3.36Å; I354-I358 PolarHBondContact O-N 2.84Å; I354-E403 WeakPolarHBondContact CG1-OE1 3.43Å; I354-E403 HydrophobicContact CG2-CG 4.36Å
355H79.2Confident67.6Low46 Ų4665.7 Ų65.721%0.21334%0.337CS..Hα-helixtrans-64.7-33.7178-171.6-56.4000112L291 L295 T351 D353 S359L291-H355 WeakPolarHBondContact CB-NE2 3.27Å; L291-H355 VanDerWaalsContact CD1-CE1 3.47Å; L291-H355 WeakPolarHBondContact CD1-CE1 3.36Å; L295-H355 HydrophobicContact CD1-CB 4.42Å; T351-H355 WeakPolarHBondContact O-CB 3.4Å; T351-H355 PolarHBondContact O-N 2.98Å; T351-H355 VanDerWaalsContact O-N 3.12Å; D353-H355 VanDerWaalsContact C-N 3.35Å; D353-H355 PolarHBondContact O-N 3.14Å; H355-S359 WeakPolarHBondContact O-CB 3.3Å; H355-S359 PolarHBondContact O-N 2.91Å
356Q83.7Confident70.2Confident109 Ų10962.7 Ų62.751%0.50932%0.317SS..Hα-helixtrans-69.3-46.2173.5-76.2171.270.200111.4K352 D353 I354 S359 L360K352-Q356 VanDerWaalsContact O-CG 3.3Å; K352-Q356 WeakPolarHBondContact O-CG 3.38Å; K352-Q356 PolarHBondContact O-N 2.72Å; K352-Q356 PolarHBondContact O-NE2 3.13Å; K352-Q356 VanDerWaalsContact O-NE2 3.14Å; D353-Q356 CarbonylContact O-C 3.55Å; D353-Q356 WeakPolarHBondContact O-CA 3.39Å; D353-Q356 WeakPolarHBondContact O-CB 3.5Å; D353-Q356 PolarHBondContact O-N 3.01Å; I354-Q356 VanDerWaalsContact C-N 3.29Å; I354-Q356 PolarHBondContact O-N 2.86Å; Q356-S359 PolarHBondContact O-N 3.44Å; Q356-L360 WeakPolarHBondContact O-CB 3.38Å; Q356-L360 VanDerWaalsContact O-CG 3.28Å; Q356-L360 WeakPolarHBondContact O-CG 3.38Å; Q356-L360 PolarHBondContact O-N 2.96Å
357H87.6Confident72.7Confident39 Ų3961.5 Ų61.518%0.18131%0.307CS..Hα-helixtrans-57.8-51.7177.4-68.4-179.9000111.7D353 I354 S359 L360 L361 I399 E403D353-H357 PolarHBondContact O-CD2 3.22Å; D353-H357 PolarHBondContact O-N 3.33Å; I354-H357 PolarHBondContact O-N 3.41Å; H357-S359 PolarHBondContact O-N 3.23Å; H357-L360 PolarHBondContact O-N 3.47Å; H357-L361 WeakPolarHBondContact O-CG 3.48Å; H357-L361 PolarHBondContact O-N 3.08Å; H357-I399 HydrophobicContact CB-CD1 4.28Å; H357-E403 WeakPolarHBondContact CB-OE2 3.4Å; H357-E403 IonicContact CE1-OE2 3.74Å; H357-E403 IonicContact CG-OE2 2.74Å; H357-E403 IonicContact ND1-OE1 3.13Å; H357-E403 IonicContact ND1-OE2 2.67Å; H357-E403 PolarHBondContact ND1-OE2 3.04Å
358I85.5Confident75.4Confident6 Ų656.9 Ų56.93%0.03128%0.281CS..Hα-helixtrans-64.1-42178.6-58.9162000110.6L291 I354 L360 L361 L362 E403 V406 A407 L410L291-I358 HydrophobicContact CD2-CB 4.17Å; L291-I358 HydrophobicContact CD2-CD1 4.44Å; L291-I358 HydrophobicContact CD2-CG2 3.64Å; I354-I358 HydrophobicContact CG2-CD1 3.64Å; I354-I358 HydrophobicContact CG2-CG1 4.46Å; I354-I358 WeakPolarHBondContact O-CG1 3.36Å; I354-I358 PolarHBondContact O-N 2.84Å; I358-L360 VanDerWaalsContact C-N 3.3Å; I358-L360 PolarHBondContact O-N 2.93Å; I358-L361 PolarHBondContact O-N 3.49Å; I358-L362 HydrophobicContact CG2-CD1 3.95Å; I358-L362 HydrophobicContact CG2-CG 4.37Å; I358-L362 VanDerWaalsContact O-CG 3.29Å; I358-L362 WeakPolarHBondContact O-CG 3.34Å; I358-L362 PolarHBondContact O-N 3.22Å; I358-E403 HydrophobicContact CG1-CB 4.39Å; I358-V406 HydrophobicContact CD1-CB 4.22Å; I358-V406 HydrophobicContact CD1-CG1 3.78Å; I358-A407 HydrophobicContact CG2-CB 4.11Å; I358-L410 HydrophobicContact CG2-CD1 3.9Å
359S84Confident78.1Confident35 Ų3555.9 Ų55.925%0.24528%0.28CS..Hα-helixtrans-61.2-38.2175.3-178.30000112.2H355 Q356 H357 T363H355-S359 WeakPolarHBondContact O-CB 3.3Å; H355-S359 PolarHBondContact O-N 2.91Å; Q356-S359 PolarHBondContact O-N 3.44Å; H357-S359 PolarHBondContact O-N 3.23Å; S359-T363 WeakPolarHBondContact O-CB 3.09Å; S359-T363 VanDerWaalsContact O-CG2 3.29Å; S359-T363 WeakPolarHBondContact O-CG2 3.47Å; S359-T363 PolarHBondContact O-N 2.79Å; S359-T363 VanDerWaalsContact O-N 3.13Å; S359-T363 PolarHBondContact O-OG1 3.27Å
360L86.7Confident80.6Confident40 Ų4049 Ų4921%0.20926%0.263CS..Hα-helixtrans-69-47.3176.1-73.1173.4000110.9Q356 H357 I358 L362 T363 T364 W385 I394Q356-L360 WeakPolarHBondContact O-CB 3.38Å; Q356-L360 VanDerWaalsContact O-CG 3.28Å; Q356-L360 WeakPolarHBondContact O-CG 3.38Å; Q356-L360 PolarHBondContact O-N 2.96Å; H357-L360 PolarHBondContact O-N 3.47Å; I358-L360 VanDerWaalsContact C-N 3.3Å; I358-L360 PolarHBondContact O-N 2.93Å; L360-L362 PolarHBondContact O-N 2.92Å; L360-T363 PolarHBondContact O-N 3.25Å; L360-T363 VanDerWaalsContact O-N 3.13Å; L360-T364 HydrophobicContact CD2-CG2 4.01Å; L360-T364 WeakPolarHBondContact O-CA 3.44Å; L360-T364 PolarHBondContact O-N 3.19Å; L360-T364 PolarHBondContact O-OG1 3.12Å; L360-W385 VanDerWaalsContact C-CZ3 3.47Å; L360-W385 HydrophobicContact CB-CE3 4.29Å; L360-W385 HydrophobicContact CB-CH2 3.33Å; L360-W385 HydrophobicContact CB-CZ2 3.75Å; L360-W385 HydrophobicContact CB-CZ3 3.64Å; L360-W385 HydrophobicContact CD1-CH2 4.45Å; L360-W385 HydrophobicContact CD1-CZ2 3.99Å; L360-W385 HydrophobicContact CG-CH2 4.5Å; L360-I394 HydrophobicContact CD1-CG2 4.42Å; L360-I394 HydrophobicContact CD2-CD1 3.75Å
361L86.9Confident82.5Confident4 Ų448.8 Ų48.82%0.02126%0.262CS..Hα-helixtrans-52.8-42.3175.8-71.7170.3000112.3H357 I358 H366 V383 W385 I399 L404 A407H357-L361 WeakPolarHBondContact O-CG 3.48Å; H357-L361 PolarHBondContact O-N 3.08Å; I358-L361 PolarHBondContact O-N 3.49Å; L361-H366 PolarHBondContact O-CE1 3.02Å; L361-H366 PolarHBondContact O-ND1 3.11Å; L361-V383 HydrophobicContact CD2-CG1 4.31Å; L361-W385 HydrophobicContact CD2-CH2 4Å; L361-W385 HydrophobicContact CD2-CZ3 4.31Å; L361-W385 HydrophobicContact CG-CH2 4.1Å; L361-I399 HydrophobicContact CD1-CD1 4.34Å; L361-I399 HydrophobicContact CD1-CG2 4.14Å; L361-I399 HydrophobicContact CD2-CD1 4.06Å; L361-I399 HydrophobicContact CG-CD1 4.13Å; L361-L404 HydrophobicContact CD1-CD2 3.77Å; L361-L404 HydrophobicContact CD1-CG 4.32Å; L361-L404 HydrophobicContact CD2-CD2 3.72Å; L361-L404 HydrophobicContact CG-CD2 4.42Å; L361-A407 HydrophobicContact CB-CB 3.81Å; L361-A407 HydrophobicContact CD1-CB 3.59Å; L361-A407 HydrophobicContact CG-CB 4.36Å
362L84.6Confident84Confident13 Ų1351.2 Ų51.27%0.06827%0.265CS..Hα-helixtrans-77.4-24.6-179.6-66.3174.9000114.8I287 I358 L360 A407 L410 E411 L414I287-L362 HydrophobicContact CD1-CB 4.2Å; I287-L362 HydrophobicContact CG1-CD1 4.37Å; I287-L362 HydrophobicContact CG2-CD1 3.75Å; I358-L362 HydrophobicContact CG2-CD1 3.95Å; I358-L362 HydrophobicContact CG2-CG 4.37Å; I358-L362 VanDerWaalsContact O-CG 3.29Å; I358-L362 WeakPolarHBondContact O-CG 3.34Å; I358-L362 PolarHBondContact O-N 3.22Å; L360-L362 PolarHBondContact O-N 2.92Å; L362-A407 WeakPolarHBondContact CD2-O 3.41Å; L362-L410 HydrophobicContact CD1-CB 3.98Å; L362-L410 HydrophobicContact CD1-CD1 3.99Å; L362-L410 HydrophobicContact CD2-CB 4.14Å; L362-E411 HydrophobicContact CD2-CB 4.45Å; L362-E411 HydrophobicContact CD2-CG 3.41Å; L362-E411 VanDerWaalsContact CD2-CG 3.41Å; L362-L414 HydrophobicContact CD2-CD1 4.14Å
363T82.6Confident85.2Confident47 Ų4750.5 Ų50.529%0.28827%0.266SS..Hα-helixtrans-114.3-30.4-170.563.20000114.5R16 I287 S359 L360R16-T363 PolarHBondContact NE-O 3.37Å; I287-T363 HydrophobicContact CD1-CG2 4.12Å; S359-T363 WeakPolarHBondContact O-CB 3.09Å; S359-T363 VanDerWaalsContact O-CG2 3.29Å; S359-T363 WeakPolarHBondContact O-CG2 3.47Å; S359-T363 PolarHBondContact O-N 2.79Å; S359-T363 VanDerWaalsContact O-N 3.13Å; S359-T363 PolarHBondContact O-OG1 3.27Å; L360-T363 PolarHBondContact O-N 3.25Å; L360-T363 VanDerWaalsContact O-N 3.13Å
364T83.4Confident85.9Confident33 Ų3348.7 Ų48.720%0.20226%0.259CS..SBendtrans-107.9127.6-178.151.40000111.2L360 H366 W385 I394L360-T364 HydrophobicContact CD2-CG2 4.01Å; L360-T364 WeakPolarHBondContact O-CA 3.44Å; L360-T364 PolarHBondContact O-N 3.19Å; L360-T364 PolarHBondContact O-OG1 3.12Å; T364-H366 PolarHBondContact O-ND1 3.31Å; T364-H366 VanDerWaalsContact O-ND1 3.08Å; T364-W385 VanDerWaalsContact OG1-CZ3 3.3Å; T364-W385 WeakPolarHBondContact OG1-CZ3 3.43Å; T364-I394 HydrophobicContact CG2-CD1 4.21Å
365P84.7Confident86.1Confident18 Ų1854.2 Ų54.212%0.11729%0.288CS..  trans-60.9142.6173.8-18.631.5000110.8R16 L20 I386R16-P365 HydrophobicContact CG-CG 4.46Å; L20-P365 HydrophobicContact CD1-CB 3.61Å; L20-P365 HydrophobicContact CD1-CG 3.24Å; P365-I386 HydrophobicContact CB-CB 4.3Å; P365-I386 PolarHBondContact O-N 3.43Å
366H86.5Confident86.4Confident7 Ų757 Ų573%0.03230%0.304CS..EExtended strand (participates in β ladder)trans-152.1160.6-17057.9-96.8000112.6T17 L361 T364 V383 R384 W385T17-H366 VanDerWaalsContact CG2-O 3.24Å; T17-H366 WeakPolarHBondContact CG2-O 3.33Å; T17-H366 PolarHBondContact OG1-N 2.94Å; T17-H366 PolarHBondContact OG1-O 2.68Å; L361-H366 PolarHBondContact O-CE1 3.02Å; L361-H366 PolarHBondContact O-ND1 3.11Å; T364-H366 PolarHBondContact O-ND1 3.31Å; T364-H366 VanDerWaalsContact O-ND1 3.08Å; H366-V383 HydrophobicContact CB-CG1 3.64Å; H366-R384 CarbonylContact C-O 3.57Å; H366-R384 VanDerWaalsContact CA-O 3.27Å; H366-R384 WeakPolarHBondContact CA-O 3.25Å; H366-W385 HydrophobicContact CB-CD2 4.49Å; H366-W385 HydrophobicContact CB-CE3 3.63Å; H366-W385 HydrophobicContact CB-CZ3 3.81Å; H366-W385 AromaticContact ND1-CZ3 3.99Å
367T87Confident86.3Confident47 Ų4759.8 Ų59.829%0.28832%0.317SS..EExtended strand (participates in β ladder)trans-134.1143.1174.846.40000111.5R384 I386T367-R384 PolarHBondContact N-O 3.46Å; T367-R384 PolarHBondContact O-N 3.3Å; T367-I386 HydrophobicContact CG2-CD1 3.84Å
368F89Confident86.3Confident29 Ų2962.1 Ų62.113%0.12732%0.324CS..EExtended strand (participates in β ladder)trans-77.7126.9172.3-57.6-69.1000110.2P11 L13 F381 V383 L404P11-F368 HydrophobicContact CB-CD2 4.3Å; P11-F368 HydrophobicContact CB-CE1 4.25Å; P11-F368 HydrophobicContact CB-CE2 3.73Å; P11-F368 HydrophobicContact CB-CZ 3.72Å; P11-F368 HydrophobicContact CG-CD1 4.35Å; P11-F368 HydrophobicContact CG-CD2 4.39Å; P11-F368 HydrophobicContact CG-CE1 4.18Å; P11-F368 HydrophobicContact CG-CE2 4.23Å; P11-F368 HydrophobicContact CG-CG 4.47Å; P11-F368 HydrophobicContact CG-CZ 4.15Å; P11-F368 VanDerWaalsContact O-CE2 3.27Å; P11-F368 WeakPolarHBondContact O-CE2 3.42Å; L13-F368 HydrophobicContact CD2-CD2 3.81Å; L13-F368 HydrophobicContact CD2-CE2 3.77Å; F368-F381 HydrophobicContact CD1-CB 4.14Å; F368-V383 HydrophobicContact CD1-CG2 3.88Å; F368-V383 HydrophobicContact CE1-CG2 3.78Å; F368-L404 HydrophobicContact CE1-CD1 4.07Å; F368-L404 HydrophobicContact CE1-CD2 3.64Å; F368-L404 HydrophobicContact CZ-CD2 3.8Å
369V88.4Confident86.4Confident86 Ų8662.8 Ų62.852%0.52133%0.329SS..EExtended strand (participates in β ladder)trans-105.7-34.8-177.7-179.90000112L382 R384V369-L382 HydrophobicContact CB-CB 4.4Å; V369-L382 HydrophobicContact CB-CD2 4.1Å; V369-L382 HydrophobicContact CB-CG 4.15Å; V369-L382 HydrophobicContact CG1-CD2 4.05Å; V369-L382 PolarHBondContact N-O 3.03Å; V369-R384 HydrophobicContact CG2-CB 3.46Å; V369-R384 VanDerWaalsContact CG2-CB 3.46Å; V369-R384 HydrophobicContact CG2-CG 4.48Å
370G88.1Confident86.7Confident30 Ų3061.6 Ų61.631%0.30932%0.32SS..EExtended strand (participates in β ladder)trans-164.3176-177.700000112.2F381 L382G370-F381 WeakPolarHBondContact O-CA 3.45Å; G370-L382 PolarHBondContact O-N 3.17Å
371Q92.8Very high86.8Confident114 Ų11460.3 Ų60.353%0.53331%0.312SS..EExtended strand (participates in β ladder)trans-140.4143.2-178.6-175.4-179.42.600108.1C379 E380 F381Q371-C379 PolarHBondContact NE2-SG 3.39Å; Q371-E380 CarbonylContact C-O 3.57Å; Q371-E380 WeakPolarHBondContact CA-O 3.33Å; Q371-F381 HydrophobicContact CB-CD1 3.96Å; Q371-F381 HydrophobicContact CB-CE1 4.02Å; Q371-F381 VanDerWaalsContact CD-CE1 3.47Å; Q371-F381 HydrophobicContact CG-CD1 3.91Å; Q371-F381 HydrophobicContact CG-CE1 3.63Å; Q371-F381 HydrophobicContact CG-CZ 4.11Å
372R88.2Confident87.1Confident113 Ų11361.7 Ų61.743%0.42632%0.319SS..EExtended strand (participates in β ladder)trans-141.7161.1171.472.5-175.7179.4173.23.1110.3E380 W398R372-E380 HydrophobicContact CG-CB 3.95Å; R372-E380 IonicContact CZ-OE2 3.54Å; R372-E380 PolarHBondContact N-O 2.91Å; R372-E380 IonicContact NE-OE2 3.53Å; R372-E380 PolarHBondContact NE-OE2 3.38Å; R372-E380 IonicContact NH2-OE2 2.76Å; R372-E380 PolarHBondContact NH2-OE2 3.34Å; R372-E380 PolarHBondContact O-N 2.84Å; R372-W398 HydrophobicContact CB-CH2 4Å; R372-W398 HydrophobicContact CB-CZ3 3.95Å; R372-W398 HydrophobicContact CG-CD2 4.44Å; R372-W398 HydrophobicContact CG-CE3 3.82Å; R372-W398 HydrophobicContact CG-CH2 3.83Å; R372-W398 HydrophobicContact CG-CZ2 4.45Å; R372-W398 HydrophobicContact CG-CZ3 3.48Å; R372-W398 VanDerWaalsContact CG-CZ3 3.48Å
373I89.4Confident87.3Confident129 Ų12961 Ų6166%0.66232%0.316SS*.EExtended strand (participates in β ladder)trans-99.3128.3167.3-59.4172.7000106.4
374S85.8Confident87.7Confident27 Ų2766.1 Ų66.119%0.18933%0.33CS..  trans-71.9167.6177-150.60000111.2D376 H377 R378 E380S374-D376 PolarHBondContact O-N 2.96Å; S374-H377 PolarHBondContact O-N 2.89Å; S374-R378 WeakPolarHBondContact CB-O 3.4Å; S374-R378 PolarHBondContact N-O 2.74Å; S374-E380 WeakPolarHBondContact CB-OE1 3.28Å; S374-E380 PolarHBondContact OG-OE1 3.06Å
375L83.4Confident87.9Confident167 Ų16765.3 Ų65.387%0.87432%0.323SS*.THydrogen-bonded Turntrans-60-30.1175.5-65.7174.7000111.8H377L375-H377 PolarHBondContact O-N 2.97Å
376D85.4Confident87.7Confident104 Ų10468.4 Ų68.456%0.55634%0.338SS*.THydrogen-bonded Turntrans-79.314.3175.8-50.6-27.7000113.8S374 R378S374-D376 PolarHBondContact O-N 2.96Å; D376-R378 HydrophobicContact CB-CG 4.38Å; D376-R378 PolarHBondContact O-N 2.83Å; D376-R378 IonicContact OD2-CZ 2.61Å; D376-R378 IonicContact OD2-NE 3.95Å; D376-R378 IonicContact OD2-NH2 2.71Å; D376-R378 PolarHBondContact OD2-NH2 3.3Å
377H83Confident86.9Confident168 Ų16870.8 Ų70.878%0.77836%0.355SS*.SBendtrans59.88.7-172.7-54.9-64.5000116.3S374 L375S374-H377 PolarHBondContact O-N 2.89Å; L375-H377 PolarHBondContact O-N 2.97Å
378R86.2Confident85.6Confident88 Ų8871.7 Ų71.733%0.33237%0.374SS..  trans-79.5146.3175.4-66.2-177-70.8141.5-1.7111.8S374 D376 F400 E402S374-R378 WeakPolarHBondContact CB-O 3.4Å; S374-R378 PolarHBondContact N-O 2.74Å; D376-R378 HydrophobicContact CB-CG 4.38Å; D376-R378 PolarHBondContact O-N 2.83Å; D376-R378 IonicContact OD2-CZ 2.61Å; D376-R378 IonicContact OD2-NE 3.95Å; D376-R378 IonicContact OD2-NH2 2.71Å; D376-R378 PolarHBondContact OD2-NH2 3.3Å; R378-F400 HydrophobicContact CB-CD1 4.09Å; R378-F400 HydrophobicContact CB-CE1 4.01Å; R378-F400 VanDerWaalsContact CZ-CE1 3.46Å; R378-F400 VanDerWaalsContact NH1-CE1 3.3Å; R378-E402 WeakPolarHBondContact CD-OE1 3.45Å
379C87.4Confident83.7Confident19 Ų1976.5 Ų76.513%0.12841%0.411CS..EExtended strand (participates in β ladder)trans-84133178.1-174.40000111.5Q371 F381 E401Q371-C379 PolarHBondContact NE2-SG 3.39Å; C379-F381 VanDerWaalsContact SG-CE2 3.55Å; C379-E401 HydrophobicContact CB-CB 4.13Å; C379-E401 VanDerWaalsContact CB-OE2 3.25Å; C379-E401 WeakPolarHBondContact CB-OE2 3.45Å; C379-E401 PolarHBondContact O-N 2.82Å
380E90.5Very high81.7Confident11 Ų1174.5 Ų74.55%0.05141%0.408CS..EExtended strand (participates in β ladder)trans-124.8137.8175.7-67.3175.8-152.100110.6Q371 R372 S374 W398 I399 F400Q371-E380 CarbonylContact C-O 3.57Å; Q371-E380 WeakPolarHBondContact CA-O 3.33Å; R372-E380 HydrophobicContact CG-CB 3.95Å; R372-E380 IonicContact CZ-OE2 3.54Å; R372-E380 PolarHBondContact N-O 2.91Å; R372-E380 IonicContact NE-OE2 3.53Å; R372-E380 PolarHBondContact NE-OE2 3.38Å; R372-E380 IonicContact NH2-OE2 2.76Å; R372-E380 PolarHBondContact NH2-OE2 3.34Å; R372-E380 PolarHBondContact O-N 2.84Å; S374-E380 WeakPolarHBondContact CB-OE1 3.28Å; S374-E380 PolarHBondContact OG-OE1 3.06Å; E380-W398 HydrophobicContact CB-CE3 3.97Å; E380-I399 CarbonylContact C-O 3.58Å; E380-I399 WeakPolarHBondContact CA-O 3.48Å; E380-F400 HydrophobicContact CG-CD1 3.54Å; E380-F400 HydrophobicContact CG-CE1 3.41Å; E380-F400 VanDerWaalsContact CG-CE1 3.41Å; E380-F400 HydrophobicContact CG-CG 4.23Å; E380-F400 HydrophobicContact CG-CZ 4.04Å; E380-F400 VanDerWaalsContact OE1-CE1 3.31Å; E380-F400 WeakPolarHBondContact OE1-CE1 3.35Å; E380-F400 WeakPolarHBondContact OE1-CZ 3.26Å
381F90.2Very high79.7Confident12 Ų1283.1 Ų83.15%0.05344%0.44CS..EExtended strand (participates in β ladder)trans-111.8136.5175.8-65.6-89.9000110.9P11 F368 G370 Q371 C379 V383 W398 I399 E401 L404P11-F381 HydrophobicContact CG-CD1 3.9Å; P11-F381 HydrophobicContact CG-CD2 4.33Å; P11-F381 HydrophobicContact CG-CE1 3.64Å; P11-F381 HydrophobicContact CG-CE2 4.08Å; P11-F381 HydrophobicContact CG-CG 4.23Å; P11-F381 HydrophobicContact CG-CZ 3.74Å; F368-F381 HydrophobicContact CD1-CB 4.14Å; G370-F381 WeakPolarHBondContact O-CA 3.45Å; Q371-F381 HydrophobicContact CB-CD1 3.96Å; Q371-F381 HydrophobicContact CB-CE1 4.02Å; Q371-F381 VanDerWaalsContact CD-CE1 3.47Å; Q371-F381 HydrophobicContact CG-CD1 3.91Å; Q371-F381 HydrophobicContact CG-CE1 3.63Å; Q371-F381 HydrophobicContact CG-CZ 4.11Å; C379-F381 VanDerWaalsContact SG-CE2 3.55Å; F381-V383 PolarHBondContact O-N 3.21Å; F381-W398 WeakPolarHBondContact O-CA 3.38Å; F381-I399 PolarHBondContact N-O 3.2Å; F381-I399 PolarHBondContact O-N 3.04Å; F381-E401 HydrophobicContact CE2-CB 4.06Å; F381-E401 HydrophobicContact CE2-CG 4.12Å; F381-L404 HydrophobicContact CB-CD1 3.94Å; F381-L404 HydrophobicContact CD2-CD1 3.43Å; F381-L404 VanDerWaalsContact CD2-CD1 3.43Å; F381-L404 HydrophobicContact CE2-CD1 4.21Å; F381-L404 HydrophobicContact CG-CD1 3.93Å
382L92Very high77.9Confident33 Ų3381.4 Ų81.417%0.17344%0.441CS..EExtended strand (participates in β ladder)trans-82.5111.5173.4-177.460.2000109.3V369 G370 P396 W398V369-L382 HydrophobicContact CB-CB 4.4Å; V369-L382 HydrophobicContact CB-CD2 4.1Å; V369-L382 HydrophobicContact CB-CG 4.15Å; V369-L382 HydrophobicContact CG1-CD2 4.05Å; V369-L382 PolarHBondContact N-O 3.03Å; G370-L382 PolarHBondContact O-N 3.17Å; L382-P396 HydrophobicContact CD1-CB 3.83Å; L382-P396 HydrophobicContact CG-CB 4.39Å; L382-W398 HydrophobicContact CB-CD2 4.07Å; L382-W398 HydrophobicContact CB-CE3 3.85Å; L382-W398 HydrophobicContact CB-CH2 3.76Å; L382-W398 HydrophobicContact CB-CZ2 3.97Å; L382-W398 HydrophobicContact CB-CZ3 3.68Å; L382-W398 HydrophobicContact CD1-CD2 4.12Å; L382-W398 HydrophobicContact CD1-CG 4.3Å; L382-W398 HydrophobicContact CD1-CZ2 4.41Å; L382-W398 HydrophobicContact CD2-CZ2 4.21Å; L382-W398 HydrophobicContact CG-CZ2 4.43Å
383V90.1Very high77Confident0 Ų082.4 Ų82.40%046%0.459CS..EExtended strand (participates in β ladder)trans-103.1121.8-177.5-178.70000109.8L361 H366 F368 F381 W385 P396 T397 I399L361-V383 HydrophobicContact CD2-CG1 4.31Å; H366-V383 HydrophobicContact CB-CG1 3.64Å; F368-V383 HydrophobicContact CD1-CG2 3.88Å; F368-V383 HydrophobicContact CE1-CG2 3.78Å; F381-V383 PolarHBondContact O-N 3.21Å; V383-W385 HydrophobicContact CG1-CD2 4.41Å; V383-W385 HydrophobicContact CG1-CE3 4.34Å; V383-W385 HydrophobicContact CG1-CH2 3.95Å; V383-W385 HydrophobicContact CG1-CZ2 4.06Å; V383-W385 HydrophobicContact CG1-CZ3 4.09Å; V383-P396 CarbonylContact O-C 3.46Å; V383-P396 VanDerWaalsContact O-CA 3.3Å; V383-P396 WeakPolarHBondContact O-CA 3.47Å; V383-T397 PolarHBondContact N-O 3.34Å; V383-T397 PolarHBondContact O-N 2.92Å; V383-I399 HydrophobicContact CB-CD1 3.96Å; V383-I399 HydrophobicContact CB-CG1 4.4Å; V383-I399 HydrophobicContact CG1-CD1 4.36Å; V383-I399 HydrophobicContact CG2-CB 4.14Å; V383-I399 HydrophobicContact CG2-CD1 3.88Å; V383-I399 HydrophobicContact CG2-CG1 4.14Å
384R89.3Confident76.5Confident154 Ų15478.5 Ų78.558%0.58144%0.439SS*.EExtended strand (participates in β ladder)trans-101.8124.5174.2175.9177.3-179.11682.2110.1H366 T367 V369H366-R384 CarbonylContact C-O 3.57Å; H366-R384 VanDerWaalsContact CA-O 3.27Å; H366-R384 WeakPolarHBondContact CA-O 3.25Å; T367-R384 PolarHBondContact N-O 3.46Å; T367-R384 PolarHBondContact O-N 3.3Å; V369-R384 HydrophobicContact CG2-CB 3.46Å; V369-R384 VanDerWaalsContact CG2-CB 3.46Å; V369-R384 HydrophobicContact CG2-CG 4.48Å
385W87.5Confident76.5Confident15 Ų1581.3 Ų81.36%0.05746%0.457CS..EExtended strand (participates in β ladder)trans-82132.1-179.9-49.6100.4000111.5L360 L361 T364 H366 V383 S387 I394 P395 T397 I399L360-W385 VanDerWaalsContact C-CZ3 3.47Å; L360-W385 HydrophobicContact CB-CE3 4.29Å; L360-W385 HydrophobicContact CB-CH2 3.33Å; L360-W385 HydrophobicContact CB-CZ2 3.75Å; L360-W385 HydrophobicContact CB-CZ3 3.64Å; L360-W385 HydrophobicContact CD1-CH2 4.45Å; L360-W385 HydrophobicContact CD1-CZ2 3.99Å; L360-W385 HydrophobicContact CG-CH2 4.5Å; L361-W385 HydrophobicContact CD2-CH2 4Å; L361-W385 HydrophobicContact CD2-CZ3 4.31Å; L361-W385 HydrophobicContact CG-CH2 4.1Å; T364-W385 VanDerWaalsContact OG1-CZ3 3.3Å; T364-W385 WeakPolarHBondContact OG1-CZ3 3.43Å; H366-W385 HydrophobicContact CB-CD2 4.49Å; H366-W385 HydrophobicContact CB-CE3 3.63Å; H366-W385 HydrophobicContact CB-CZ3 3.81Å; H366-W385 AromaticContact ND1-CZ3 3.99Å; V383-W385 HydrophobicContact CG1-CD2 4.41Å; V383-W385 HydrophobicContact CG1-CE3 4.34Å; V383-W385 HydrophobicContact CG1-CH2 3.95Å; V383-W385 HydrophobicContact CG1-CZ2 4.06Å; V383-W385 HydrophobicContact CG1-CZ3 4.09Å; W385-S387 PolarHBondContact O-N 3.21Å; W385-I394 HydrophobicContact CB-CB 4.05Å; W385-I394 HydrophobicContact CB-CD1 4.5Å; W385-I394 HydrophobicContact CG-CB 3.9Å; W385-I394 HydrophobicContact CG-CD1 4.44Å; W385-I394 HydrophobicContact CG-CG2 3.91Å; W385-P395 PolarHBondContact NE1-O 3.06Å; W385-T397 WeakPolarHBondContact CZ2-OG1 3.48Å; W385-T397 PolarHBondContact NE1-OG1 3.38Å; W385-I399 HydrophobicContact CH2-CD1 3.88Å; W385-I399 HydrophobicContact CZ2-CD1 3.76Å
386I82.1Confident76.6Confident84 Ų8477 Ų7743%0.43144%0.439SS..  trans-9483.5173.4-54.8171.9000107.6P365 T367P365-I386 HydrophobicContact CB-CB 4.3Å; P365-I386 PolarHBondContact O-N 3.43Å; T367-I386 HydrophobicContact CG2-CD1 3.84Å
387S69.9Low76.8Confident56 Ų5673.5 Ų73.539%0.39242%0.421SS..  trans-73.5126.7170.7-168.20000110W385 S389 S392W385-S387 PolarHBondContact O-N 3.21Å; S387-S389 PolarHBondContact O-N 3.4Å; S387-S392 PolarHBondContact OG-O 2.69Å; S387-S392 VanDerWaalsContact OG-O 3.14Å
388G58Low77.1Confident66 Ų6669.7 Ų69.768%0.6840%0.4SS*.  trans-80.896.3178.300000111.2G390G388-G390 PolarHBondContact O-N 3.06Å
389S48.9Very low77.3Confident130 Ų13065.5 Ų65.591%0.90938%0.384SS*.SBendtrans33.472.4165.462.80000115.5S387S387-S389 PolarHBondContact O-N 3.4Å
390G47.5Very low77.3Confident44 Ų4466.4 Ų66.445%0.45439%0.386SS..SBendtrans-179.896.1174.800000113.9G388 S392G388-G390 PolarHBondContact O-N 3.06Å; G390-S392 PolarHBondContact O-N 3.03Å
391H46.2Very low77.1Confident211 Ų21169.8 Ų69.898%0.97740%0.402SS*.SBendtrans38.62157.7-67.5-76000123.5
392S55.3Low76.9Confident79 Ų7973.6 Ų73.655%0.55242%0.42SS*.  trans-132.1103.316455.20000110.5S387 G390S387-S392 PolarHBondContact OG-O 2.69Å; S387-S392 VanDerWaalsContact OG-O 3.14Å; G390-S392 PolarHBondContact O-N 3.03Å
393V68.9Low76.7Confident134 Ų13472.9 Ų72.981%0.81242%0.415SS*.  trans-88.8104.7171.3-178.20000107.1
394I79Confident76.4Confident47 Ų4773.6 Ų73.624%0.24142%0.419CS..PPolyproline II helixtrans-67.5125.6173-50.1175.6000107.1L360 T364 W385L360-I394 HydrophobicContact CD1-CG2 4.42Å; L360-I394 HydrophobicContact CD2-CD1 3.75Å; T364-I394 HydrophobicContact CG2-CD1 4.21Å; W385-I394 HydrophobicContact CB-CB 4.05Å; W385-I394 HydrophobicContact CB-CD1 4.5Å; W385-I394 HydrophobicContact CG-CB 3.9Å; W385-I394 HydrophobicContact CG-CD1 4.44Å; W385-I394 HydrophobicContact CG-CG2 3.91Å
395P84.6Confident76.2Confident86 Ų8671 Ų7156%0.55842%0.417SS*.PPolyproline II helixtrans-63.2152.8-179.327.3-35.3000110.8W385 T397W385-P395 PolarHBondContact NE1-O 3.06Å; P395-T397 PolarHBondContact O-N 3.12Å
396P86.7Confident76Confident76 Ų7673.2 Ų73.249%0.49443%0.432SS..PPolyproline II helixtrans-57.5129.7168.9-22.434.2000110.7L382 V383L382-P396 HydrophobicContact CD1-CB 3.83Å; L382-P396 HydrophobicContact CG-CB 4.39Å; V383-P396 CarbonylContact O-C 3.46Å; V383-P396 VanDerWaalsContact O-CA 3.3Å; V383-P396 WeakPolarHBondContact O-CA 3.47Å
397T89.6Confident76Confident30 Ų3069.5 Ų69.518%0.18441%0.413CS..EExtended strand (participates in β ladder)trans-118.9138.8-174.944.80000110.7V383 W385 P395V383-T397 PolarHBondContact N-O 3.34Å; V383-T397 PolarHBondContact O-N 2.92Å; W385-T397 WeakPolarHBondContact CZ2-OG1 3.48Å; W385-T397 PolarHBondContact NE1-OG1 3.38Å; P395-T397 PolarHBondContact O-N 3.12Å
398W90Very high76.5Confident88 Ų8869.2 Ų69.233%0.33342%0.415SS..EExtended strand (participates in β ladder)trans-76.7129.7166.5-69.8100.6000109.3R372 E380 F381 L382R372-W398 HydrophobicContact CB-CH2 4Å; R372-W398 HydrophobicContact CB-CZ3 3.95Å; R372-W398 HydrophobicContact CG-CD2 4.44Å; R372-W398 HydrophobicContact CG-CE3 3.82Å; R372-W398 HydrophobicContact CG-CH2 3.83Å; R372-W398 HydrophobicContact CG-CZ2 4.45Å; R372-W398 HydrophobicContact CG-CZ3 3.48Å; R372-W398 VanDerWaalsContact CG-CZ3 3.48Å; E380-W398 HydrophobicContact CB-CE3 3.97Å; F381-W398 WeakPolarHBondContact O-CA 3.38Å; L382-W398 HydrophobicContact CB-CD2 4.07Å; L382-W398 HydrophobicContact CB-CE3 3.85Å; L382-W398 HydrophobicContact CB-CH2 3.76Å; L382-W398 HydrophobicContact CB-CZ2 3.97Å; L382-W398 HydrophobicContact CB-CZ3 3.68Å; L382-W398 HydrophobicContact CD1-CD2 4.12Å; L382-W398 HydrophobicContact CD1-CG 4.3Å; L382-W398 HydrophobicContact CD1-CZ2 4.41Å; L382-W398 HydrophobicContact CD2-CZ2 4.21Å; L382-W398 HydrophobicContact CG-CZ2 4.43Å
399I88.7Confident77.4Confident0 Ų071.8 Ų71.80%041%0.409CS..EExtended strand (participates in β ladder)trans-129.5132.1-176.3-64.7-171.2000108.2H357 L361 E380 F381 V383 W385 E403 L404H357-I399 HydrophobicContact CB-CD1 4.28Å; L361-I399 HydrophobicContact CD1-CD1 4.34Å; L361-I399 HydrophobicContact CD1-CG2 4.14Å; L361-I399 HydrophobicContact CD2-CD1 4.06Å; L361-I399 HydrophobicContact CG-CD1 4.13Å; E380-I399 CarbonylContact C-O 3.58Å; E380-I399 WeakPolarHBondContact CA-O 3.48Å; F381-I399 PolarHBondContact N-O 3.2Å; F381-I399 PolarHBondContact O-N 3.04Å; V383-I399 HydrophobicContact CB-CD1 3.96Å; V383-I399 HydrophobicContact CB-CG1 4.4Å; V383-I399 HydrophobicContact CG1-CD1 4.36Å; V383-I399 HydrophobicContact CG2-CB 4.14Å; V383-I399 HydrophobicContact CG2-CD1 3.88Å; V383-I399 HydrophobicContact CG2-CG1 4.14Å; W385-I399 HydrophobicContact CH2-CD1 3.88Å; W385-I399 HydrophobicContact CZ2-CD1 3.76Å; I399-E403 HydrophobicContact CG2-CB 3.87Å; I399-E403 WeakPolarHBondContact CG2-OE2 3.37Å; I399-L404 HydrophobicContact CG2-CD1 4.36Å; I399-L404 HydrophobicContact CG2-CD2 4.43Å; I399-L404 HydrophobicContact CG2-CG 3.9Å
400F88.8Confident78.8Confident39 Ų3966 Ų6617%0.17137%0.368CS..EExtended strand (participates in β ladder)trans-68148.3178.5-77.9-72.1000112.1R378 E380 E402 E403 L404R378-F400 HydrophobicContact CB-CD1 4.09Å; R378-F400 HydrophobicContact CB-CE1 4.01Å; R378-F400 VanDerWaalsContact CZ-CE1 3.46Å; R378-F400 VanDerWaalsContact NH1-CE1 3.3Å; E380-F400 HydrophobicContact CG-CD1 3.54Å; E380-F400 HydrophobicContact CG-CE1 3.41Å; E380-F400 VanDerWaalsContact CG-CE1 3.41Å; E380-F400 HydrophobicContact CG-CG 4.23Å; E380-F400 HydrophobicContact CG-CZ 4.04Å; E380-F400 VanDerWaalsContact OE1-CE1 3.31Å; E380-F400 WeakPolarHBondContact OE1-CE1 3.35Å; E380-F400 WeakPolarHBondContact OE1-CZ 3.26Å; F400-E402 WeakPolarHBondContact CB-OE2 3.34Å; F400-E402 PolarHBondContact O-N 3.01Å; F400-E403 HydrophobicContact CB-CG 4.14Å; F400-E403 WeakPolarHBondContact O-CB 3.35Å; F400-E403 PolarHBondContact O-N 2.8Å; F400-E403 VanDerWaalsContact O-N 3.11Å; F400-L404 PolarHBondContact O-N 3.05Å
401E86.5Confident80.1Confident82 Ų8265.8 Ų65.838%0.38336%0.355SS..Hα-helixtrans-59.9-34.4177.2-174.5167.4-169.800112.3C379 F381 E403 L404 N405C379-E401 HydrophobicContact CB-CB 4.13Å; C379-E401 VanDerWaalsContact CB-OE2 3.25Å; C379-E401 WeakPolarHBondContact CB-OE2 3.45Å; C379-E401 PolarHBondContact O-N 2.82Å; F381-E401 HydrophobicContact CE2-CB 4.06Å; F381-E401 HydrophobicContact CE2-CG 4.12Å; E401-E403 VanDerWaalsContact C-N 3.33Å; E401-E403 PolarHBondContact O-N 3.4Å; E401-L404 WeakPolarHBondContact O-CB 3.45Å; E401-L404 PolarHBondContact O-N 3.14Å; E401-N405 PolarHBondContact O-N 2.6Å; E401-N405 PolarHBondContact O-ND2 3.18Å
402E84.9Confident81.5Confident92 Ų9260.3 Ų60.343%0.4334%0.34SS..Hα-helixtrans-61.9-39.2175-57.394142.500112.1R378 F400 N405 V406R378-E402 WeakPolarHBondContact CD-OE1 3.45Å; F400-E402 WeakPolarHBondContact CB-OE2 3.34Å; F400-E402 PolarHBondContact O-N 3.01Å; E402-N405 PolarHBondContact O-N 2.67Å; E402-V406 WeakPolarHBondContact O-CG2 3.37Å; E402-V406 PolarHBondContact O-N 3.34Å
403E87.2Confident82.4Confident17 Ų1760.2 Ų60.28%0.07933%0.333CS..Hα-helixtrans-69.1-37.9177.2-63.9174.1-169.300111.5I354 H357 I358 I399 F400 E401 V406 A407I354-E403 WeakPolarHBondContact CG1-OE1 3.43Å; I354-E403 HydrophobicContact CG2-CG 4.36Å; H357-E403 WeakPolarHBondContact CB-OE2 3.4Å; H357-E403 IonicContact CE1-OE2 3.74Å; H357-E403 IonicContact CG-OE2 2.74Å; H357-E403 IonicContact ND1-OE1 3.13Å; H357-E403 IonicContact ND1-OE2 2.67Å; H357-E403 PolarHBondContact ND1-OE2 3.04Å; I358-E403 HydrophobicContact CG1-CB 4.39Å; I399-E403 HydrophobicContact CG2-CB 3.87Å; I399-E403 WeakPolarHBondContact CG2-OE2 3.37Å; F400-E403 HydrophobicContact CB-CG 4.14Å; F400-E403 WeakPolarHBondContact O-CB 3.35Å; F400-E403 PolarHBondContact O-N 2.8Å; F400-E403 VanDerWaalsContact O-N 3.11Å; E401-E403 VanDerWaalsContact C-N 3.33Å; E401-E403 PolarHBondContact O-N 3.4Å; E403-V406 PolarHBondContact O-N 3.18Å; E403-A407 WeakPolarHBondContact O-CB 3.37Å; E403-A407 PolarHBondContact O-N 3Å
404L85.6Confident82.2Confident16 Ų1658.3 Ų58.38%0.08432%0.317CS..Hα-helixtrans-64.8-41.6174.2-76.1161.6000111.9L361 F368 F381 I399 F400 E401 A407 A408L361-L404 HydrophobicContact CD1-CD2 3.77Å; L361-L404 HydrophobicContact CD1-CG 4.32Å; L361-L404 HydrophobicContact CD2-CD2 3.72Å; L361-L404 HydrophobicContact CG-CD2 4.42Å; F368-L404 HydrophobicContact CE1-CD1 4.07Å; F368-L404 HydrophobicContact CE1-CD2 3.64Å; F368-L404 HydrophobicContact CZ-CD2 3.8Å; F381-L404 HydrophobicContact CB-CD1 3.94Å; F381-L404 HydrophobicContact CD2-CD1 3.43Å; F381-L404 VanDerWaalsContact CD2-CD1 3.43Å; F381-L404 HydrophobicContact CE2-CD1 4.21Å; F381-L404 HydrophobicContact CG-CD1 3.93Å; I399-L404 HydrophobicContact CG2-CD1 4.36Å; I399-L404 HydrophobicContact CG2-CD2 4.43Å; I399-L404 HydrophobicContact CG2-CG 3.9Å; F400-L404 PolarHBondContact O-N 3.05Å; E401-L404 WeakPolarHBondContact O-CB 3.45Å; E401-L404 PolarHBondContact O-N 3.14Å; L404-A407 PolarHBondContact O-N 3.02Å; L404-A408 WeakPolarHBondContact O-CB 3.35Å; L404-A408 PolarHBondContact O-N 3.41Å
405N83.5Confident82.4Confident99 Ų9958.9 Ų58.953%0.52932%0.321SS..Hα-helixtrans-65.4-39.8176.9-73.8-30.8000111.9E401 E402 A408 H409E401-N405 PolarHBondContact O-N 2.6Å; E401-N405 PolarHBondContact O-ND2 3.18Å; E402-N405 PolarHBondContact O-N 2.67Å; N405-A408 PolarHBondContact O-N 2.76Å; N405-H409 WeakPolarHBondContact O-CB 3.31Å; N405-H409 PolarHBondContact O-N 2.95Å
406V83.1Confident82.2Confident61 Ų6157.4 Ų57.437%0.3731%0.309SS..Hα-helixtrans-64.7-42.5172.6174.10000111.4I358 E402 E403 H409 L410I358-V406 HydrophobicContact CD1-CB 4.22Å; I358-V406 HydrophobicContact CD1-CG1 3.78Å; E402-V406 WeakPolarHBondContact O-CG2 3.37Å; E402-V406 PolarHBondContact O-N 3.34Å; E403-V406 PolarHBondContact O-N 3.18Å; V406-H409 PolarHBondContact O-N 3.17Å; V406-L410 HydrophobicContact CG1-CD1 4.08Å; V406-L410 WeakPolarHBondContact O-CG 3.17Å; V406-L410 PolarHBondContact O-N 3.17Å
407A83.1Confident82Confident6 Ų656.4 Ų56.45%0.0530%0.298CS..Hα-helixtrans-62.7-43.9175.800000112.1I358 L361 L362 E403 L404 H409 L410 E411I358-A407 HydrophobicContact CG2-CB 4.11Å; L361-A407 HydrophobicContact CB-CB 3.81Å; L361-A407 HydrophobicContact CD1-CB 3.59Å; L361-A407 HydrophobicContact CG-CB 4.36Å; L362-A407 WeakPolarHBondContact CD2-O 3.41Å; E403-A407 WeakPolarHBondContact O-CB 3.37Å; E403-A407 PolarHBondContact O-N 3Å; L404-A407 PolarHBondContact O-N 3.02Å; A407-H409 VanDerWaalsContact C-N 3.34Å; A407-H409 PolarHBondContact O-N 3.15Å; A407-L410 PolarHBondContact O-N 2.86Å; A407-E411 PolarHBondContact O-N 3.22Å
408A79.7Confident81.5Confident51 Ų5157.9 Ų57.942%0.42131%0.305SS..Hα-helixtrans-63.2-38.6177.100000112.5L404 N405 E411 S412L404-A408 WeakPolarHBondContact O-CB 3.35Å; L404-A408 PolarHBondContact O-N 3.41Å; N405-A408 PolarHBondContact O-N 2.76Å; A408-E411 PolarHBondContact O-N 3.29Å; A408-S412 PolarHBondContact O-N 3.26Å
409H78.1Confident81Confident120 Ų12056.1 Ų56.156%0.55630%0.303SS*.Hα-helixtrans-65.6-40.3173.4-173.569.8000112.1N405 V406 A407 S412 I413N405-H409 WeakPolarHBondContact O-CB 3.31Å; N405-H409 PolarHBondContact O-N 2.95Å; V406-H409 PolarHBondContact O-N 3.17Å; A407-H409 VanDerWaalsContact C-N 3.34Å; A407-H409 PolarHBondContact O-N 3.15Å; H409-S412 PolarHBondContact O-N 3.47Å; H409-S412 PolarHBondContact O-OG 3.08Å; H409-I413 WeakPolarHBondContact O-CD1 3.46Å; H409-I413 WeakPolarHBondContact O-CG1 3.46Å
410L77.2Confident80.5Confident9 Ų959.8 Ų59.85%0.04732%0.324CS..Hα-helixtrans-68.7-34.3175.5-70.9171.3000112.5L290 L291 I358 L362 V406 A407 S412 I413 L414L290-L410 HydrophobicContact CB-CD2 4Å; L290-L410 HydrophobicContact CD1-CD2 4.3Å; L291-L410 HydrophobicContact CD2-CD1 3.5Å; L291-L410 VanDerWaalsContact CD2-CD1 3.5Å; L291-L410 HydrophobicContact CG-CD1 4.26Å; I358-L410 HydrophobicContact CG2-CD1 3.9Å; L362-L410 HydrophobicContact CD1-CB 3.98Å; L362-L410 HydrophobicContact CD1-CD1 3.99Å; L362-L410 HydrophobicContact CD2-CB 4.14Å; V406-L410 HydrophobicContact CG1-CD1 4.08Å; V406-L410 WeakPolarHBondContact O-CG 3.17Å; V406-L410 PolarHBondContact O-N 3.17Å; A407-L410 PolarHBondContact O-N 2.86Å; L410-S412 VanDerWaalsContact C-N 3.31Å; L410-S412 PolarHBondContact O-N 3.35Å; L410-I413 PolarHBondContact O-N 3.36Å; L410-L414 WeakPolarHBondContact O-CD1 3.3Å; L410-L414 VanDerWaalsContact O-CG 3.23Å; L410-L414 WeakPolarHBondContact O-CG 3.41Å; L410-L414 PolarHBondContact O-N 3.11Å
411E76.3Confident79.9Confident39 Ų3961.3 Ų61.318%0.18233%0.334CS..Hα-helixtrans-62.3-35171.6-73.2-147.8158.400113S14 V15 L362 A407 A408 I413 L414S14-E411 WeakPolarHBondContact CA-OE2 3.44Å; S14-E411 WeakPolarHBondContact CB-OE1 3.11Å; S14-E411 PolarHBondContact OG-OE1 2.71Å; V15-E411 PolarHBondContact N-OE2 3.31Å; L362-E411 HydrophobicContact CD2-CB 4.45Å; L362-E411 HydrophobicContact CD2-CG 3.41Å; L362-E411 VanDerWaalsContact CD2-CG 3.41Å; A407-E411 PolarHBondContact O-N 3.22Å; A408-E411 PolarHBondContact O-N 3.29Å; E411-I413 PolarHBondContact O-N 3.11Å; E411-L414 PolarHBondContact O-N 3.36Å
412S75.4Confident79.4Confident95 Ų9559.7 Ų59.766%0.66433%0.331SS*.Hα-helixtrans-72.1-16.5178.8750000113.8A408 H409 L410A408-S412 PolarHBondContact O-N 3.26Å; H409-S412 PolarHBondContact O-N 3.47Å; H409-S412 PolarHBondContact O-OG 3.08Å; L410-S412 VanDerWaalsContact C-N 3.31Å; L410-S412 PolarHBondContact O-N 3.35Å
413I73.8Confident78.9Confident77 Ų7757 Ų5740%0.39532%0.322SS..Hα-helixtrans-93.9-14177.4-63.6163000112.2K286 L290 H409 L410 E411K286-I413 PolarHBondContact NZ-O 3.1Å; L290-I413 HydrophobicContact CD1-CG2 4.09Å; H409-I413 WeakPolarHBondContact O-CD1 3.46Å; H409-I413 WeakPolarHBondContact O-CG1 3.46Å; L410-I413 PolarHBondContact O-N 3.36Å; E411-I413 PolarHBondContact O-N 3.11Å
414L64.3Low78.2Confident94 Ų9460.6 Ų60.649%0.49235%0.345SS..  trans-83.60-167.8-84.6168.6000115.1K286 I287 L362 L410 E411K286-L414 HydrophobicContact CD-CD2 3.82Å; K286-L414 HydrophobicContact CG-CD2 4.07Å; K286-L414 PolarHBondContact NZ-O 3.31Å; I287-L414 HydrophobicContact CD1-CD1 4.08Å; I287-L414 HydrophobicContact CG1-CD1 3.78Å; I287-L414 HydrophobicContact CG1-CD2 3.82Å; I287-L414 HydrophobicContact CG1-CG 4.46Å; L362-L414 HydrophobicContact CD2-CD1 4.14Å; L410-L414 WeakPolarHBondContact O-CD1 3.3Å; L410-L414 VanDerWaalsContact O-CG 3.23Å; L410-L414 WeakPolarHBondContact O-CG 3.41Å; L410-L414 PolarHBondContact O-N 3.11Å; E411-L414 PolarHBondContact O-N 3.36Å

Retrieved 414 of 414 residues in 176 ms (Link to these results)