A0A060WZN3_ONCMY Loading...

Acylglycerol kinase, mitochondrial

AlphaFold DB , UniProt , Accession A0A060WZN3, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene agk, Length 423 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
1M61.5Low76.2Confident204 Ų204114.6 Ų114.6100%1.00559%0.592SS**  0-47.30-69.9-141.6-85.400114.4R3 V4 V5M1-R3 VanDerWaalsContact C-N 3.32Å; M1-R3 PolarHBondContact O-N 3.01Å; M1-V4 PolarHBondContact O-N 2.9Å; M1-V4 VanDerWaalsContact O-N 3.13Å; M1-V5 WeakPolarHBondContact O-CG2 3.47Å; M1-V5 PolarHBondContact O-N 3.18Å; M1-V5 VanDerWaalsContact O-N 3.07Å
2A72.7Confident76.7Confident72 Ų72120.2 Ų120.260%0.59560%0.6SS**Hα-helixtrans-57.2-34.1-176.600000115.9K6A2-K6 WeakPolarHBondContact O-CB 3.34Å; A2-K6 WeakPolarHBondContact O-CG 3.42Å; A2-K6 PolarHBondContact O-N 3.41Å
3R72.6Confident77.4Confident219 Ų219118.8 Ų118.883%0.82660%0.596SS**Hα-helixtrans-68.3-41.6176-72.5-173.9179.6177.50.1112.7M1 K6 V7M1-R3 VanDerWaalsContact C-N 3.32Å; M1-R3 PolarHBondContact O-N 3.01Å; R3-K6 PolarHBondContact O-N 3.5Å; R3-V7 WeakPolarHBondContact O-CG2 3.39Å; R3-V7 PolarHBondContact O-N 3.41Å
4V77.1Confident78.2Confident88 Ų88116.9 Ų116.953%0.53358%0.584SS.*Hα-helixtrans-66.4-44.4178.11800000110M1 K6 V7 F8M1-V4 PolarHBondContact O-N 2.9Å; M1-V4 VanDerWaalsContact O-N 3.13Å; V4-K6 VanDerWaalsContact C-N 3.35Å; V4-K6 PolarHBondContact O-N 2.81Å; V4-V7 PolarHBondContact O-N 3.03Å; V4-V7 VanDerWaalsContact O-N 3.16Å; V4-F8 HydrophobicContact CG1-CD2 3.8Å; V4-F8 HydrophobicContact CG1-CE2 3.74Å; V4-F8 WeakPolarHBondContact O-CD2 3.49Å; V4-F8 PolarHBondContact O-N 3.41Å
5V78.4Confident78.8Confident89 Ų89119.7 Ų119.754%0.53959%0.585SS.*Hα-helixtrans-61-42.5176177.40000111.5M1 V7 F8 V9M1-V5 WeakPolarHBondContact O-CG2 3.47Å; M1-V5 PolarHBondContact O-N 3.18Å; M1-V5 VanDerWaalsContact O-N 3.07Å; V5-V7 PolarHBondContact O-N 2.96Å; V5-F8 PolarHBondContact O-N 2.82Å; V5-V9 HydrophobicContact CG1-CG2 4.44Å; V5-V9 VanDerWaalsContact O-CG2 3.32Å; V5-V9 WeakPolarHBondContact O-CG2 3.42Å; V5-V9 PolarHBondContact O-N 2.9Å
6K78.9Confident79.6Confident151 Ų151120.9 Ų120.966%0.65759%0.586SS**Hα-helixtrans-59.4-45.2173.7-80-177.2-179.7-174.40111.9A2 R3 V4 F8 V9 T10A2-K6 WeakPolarHBondContact O-CB 3.34Å; A2-K6 WeakPolarHBondContact O-CG 3.42Å; A2-K6 PolarHBondContact O-N 3.41Å; R3-K6 PolarHBondContact O-N 3.5Å; V4-K6 VanDerWaalsContact C-N 3.35Å; V4-K6 PolarHBondContact O-N 2.81Å; K6-F8 PolarHBondContact O-N 3.31Å; K6-V9 PolarHBondContact O-N 2.74Å; K6-T10 WeakPolarHBondContact O-CB 3.19Å; K6-T10 PolarHBondContact O-N 3.41Å; K6-T10 PolarHBondContact O-OG1 2.86Å
7V79Confident80.3Confident83 Ų83122.7 Ų122.750%0.50359%0.59SS.*Hα-helixtrans-60.1-44.6177.3170.70000111.4R3 V4 V5 T10 L11R3-V7 WeakPolarHBondContact O-CG2 3.39Å; R3-V7 PolarHBondContact O-N 3.41Å; V4-V7 PolarHBondContact O-N 3.03Å; V4-V7 VanDerWaalsContact O-N 3.16Å; V5-V7 PolarHBondContact O-N 2.96Å; V7-T10 PolarHBondContact O-N 2.9Å; V7-L11 HydrophobicContact CG1-CD1 3.7Å; V7-L11 HydrophobicContact CG1-CG 4.4Å; V7-L11 WeakPolarHBondContact O-CB 3.25Å; V7-L11 WeakPolarHBondContact O-CD1 3.41Å; V7-L11 VanDerWaalsContact O-CG 3.32Å; V7-L11 WeakPolarHBondContact O-CG 3.41Å; V7-L11 PolarHBondContact O-N 3.43Å
8F79.5Confident80.8Confident141 Ų141117.7 Ų117.762%0.61857%0.57SS**Hα-helixtrans-63.9-40.6176-87.4-79.1000113.1V4 V5 K6 L11 R12V4-F8 HydrophobicContact CG1-CD2 3.8Å; V4-F8 HydrophobicContact CG1-CE2 3.74Å; V4-F8 WeakPolarHBondContact O-CD2 3.49Å; V4-F8 PolarHBondContact O-N 3.41Å; V5-F8 PolarHBondContact O-N 2.82Å; K6-F8 PolarHBondContact O-N 3.31Å; F8-L11 PolarHBondContact O-N 2.96Å; F8-R12 WeakPolarHBondContact O-CB 3.23Å; F8-R12 PolarHBondContact O-N 3.18Å
9V79.1Confident81.3Confident56 Ų56115.1 Ų115.134%0.33956%0.562SS.*Hα-helixtrans-65.5-40.8176172.90000110.9V5 K6 R12 N13V5-V9 HydrophobicContact CG1-CG2 4.44Å; V5-V9 VanDerWaalsContact O-CG2 3.32Å; V5-V9 WeakPolarHBondContact O-CG2 3.42Å; V5-V9 PolarHBondContact O-N 2.9Å; K6-V9 PolarHBondContact O-N 2.74Å; V9-R12 PolarHBondContact O-N 3.24Å; V9-N13 WeakPolarHBondContact O-CB 3.3Å; V9-N13 PolarHBondContact O-N 3.21Å; V9-N13 PolarHBondContact O-OD1 2.99Å
10T78.8Confident82Confident79 Ų79114.4 Ų114.449%0.48557%0.565SS.*Hα-helixtrans-66.8-42.9176.2-52.40000112.1K6 V7 R12 N13 H14K6-T10 WeakPolarHBondContact O-CB 3.19Å; K6-T10 PolarHBondContact O-N 3.41Å; K6-T10 PolarHBondContact O-OG1 2.86Å; V7-T10 PolarHBondContact O-N 2.9Å; T10-R12 VanDerWaalsContact C-N 3.33Å; T10-R12 PolarHBondContact O-N 3.01Å; T10-N13 PolarHBondContact O-N 3Å; T10-H14 PolarHBondContact O-N 2.85Å
11L80.3Confident82.5Confident79 Ų79111.2 Ų111.241%0.41456%0.556SS.*Hα-helixtrans-59-43.8173.9-80.2160.5000111.3V7 F8 H14 W15V7-L11 HydrophobicContact CG1-CD1 3.7Å; V7-L11 HydrophobicContact CG1-CG 4.4Å; V7-L11 WeakPolarHBondContact O-CB 3.25Å; V7-L11 WeakPolarHBondContact O-CD1 3.41Å; V7-L11 VanDerWaalsContact O-CG 3.32Å; V7-L11 WeakPolarHBondContact O-CG 3.41Å; V7-L11 PolarHBondContact O-N 3.43Å; F8-L11 PolarHBondContact O-N 2.96Å; L11-H14 CarbonylContact O-C 3.33Å; L11-W15 VanDerWaalsContact O-CA 3.24Å; L11-W15 WeakPolarHBondContact O-CA 3.19Å; L11-W15 PolarHBondContact O-N 3.37Å
12R82Confident84Confident181 Ų181104.2 Ų104.268%0.68353%0.531SS*.Hα-helixtrans-64.7-47.7176.6-172.9-177.870.3172.72.1112F8 V9 T10 H14F8-R12 WeakPolarHBondContact O-CB 3.23Å; F8-R12 PolarHBondContact O-N 3.18Å; V9-R12 PolarHBondContact O-N 3.24Å; T10-R12 VanDerWaalsContact C-N 3.33Å; T10-R12 PolarHBondContact O-N 3.01Å; R12-H14 VanDerWaalsContact C-N 3.25Å; R12-H14 PolarHBondContact O-N 3.42Å
13N86.6Confident85.1Confident102 Ų102105.1 Ų105.155%0.54553%0.532SS..Hα-helixtrans-68.8-25-177.5-69.2-2.3000112.6V9 T10V9-N13 WeakPolarHBondContact O-CB 3.3Å; V9-N13 PolarHBondContact O-N 3.21Å; V9-N13 PolarHBondContact O-OD1 2.99Å; T10-N13 PolarHBondContact O-N 3Å
14H88.2Confident86.2Confident93 Ų9397.5 Ų97.543%0.43152%0.516SS..THydrogen-bonded Turntrans-122.145.7177.2-63.5-51.2000112.4T10 L11 R12 K16 K17 S18T10-H14 PolarHBondContact O-N 2.85Å; L11-H14 CarbonylContact O-C 3.33Å; R12-H14 VanDerWaalsContact C-N 3.25Å; R12-H14 PolarHBondContact O-N 3.42Å; H14-K16 VanDerWaalsContact C-N 3.29Å; H14-K16 PolarHBondContact O-N 3.13Å; H14-K17 HydrophobicContact CB-CB 4.24Å; H14-K17 HydrophobicContact CB-CD 4.34Å; H14-K17 HydrophobicContact CB-CG 4.48Å; H14-K17 PolarHBondContact O-N 3.01Å; H14-S18 WeakPolarHBondContact O-CB 3.19Å; H14-S18 PolarHBondContact O-N 3.22Å; H14-S18 PolarHBondContact O-OG 2.72Å
15W87.9Confident87.1Confident159 Ų15999.7 Ų99.760%0.60252%0.524SS*.Hα-helixtrans-55.5-41-175.274.5-90.5000112.8L11 K17 S18 T19L11-W15 VanDerWaalsContact O-CA 3.24Å; L11-W15 WeakPolarHBondContact O-CA 3.19Å; L11-W15 PolarHBondContact O-N 3.37Å; W15-K17 PolarHBondContact O-N 2.84Å; W15-S18 PolarHBondContact O-N 3Å; W15-T19 HydrophobicContact CE3-CG2 4.42Å; W15-T19 WeakPolarHBondContact O-CG2 3.3Å; W15-T19 PolarHBondContact O-N 3.17Å; W15-T19 PolarHBondContact O-OG1 3.12Å; W15-T19 VanDerWaalsContact O-OG1 3.11Å
16K91.8Very high87.9Confident139 Ų13999.6 Ų99.660%0.60453%0.527SS*.Hα-helixtrans-62.9-38.4176.6-60.7-175.4-178.8-178.90113.7H14 T19 V20H14-K16 VanDerWaalsContact C-N 3.29Å; H14-K16 PolarHBondContact O-N 3.13Å; K16-T19 PolarHBondContact O-OG1 3.42Å; K16-V20 VanDerWaalsContact O-CG2 3.29Å; K16-V20 WeakPolarHBondContact O-CG2 3.35Å; K16-V20 PolarHBondContact O-N 2.93Å
17K90.2Very high88.8Confident151 Ų151100.4 Ų100.466%0.65753%0.528SS*.Hα-helixtrans-74.7-36.8178.6-61.2-176.8179.2-179.50110.7H14 W15 A21H14-K17 HydrophobicContact CB-CB 4.24Å; H14-K17 HydrophobicContact CB-CD 4.34Å; H14-K17 HydrophobicContact CB-CG 4.48Å; H14-K17 PolarHBondContact O-N 3.01Å; W15-K17 PolarHBondContact O-N 2.84Å; K17-A21 WeakPolarHBondContact O-CB 3.17Å; K17-A21 PolarHBondContact O-N 2.8Å
18S89.6Confident89.6Confident32 Ų3297.7 Ų97.722%0.22452%0.516CS..Hα-helixtrans-68.3-40.9179.9-54.30000111.9H14 W15 A21 A22H14-S18 WeakPolarHBondContact O-CB 3.19Å; H14-S18 PolarHBondContact O-N 3.22Å; H14-S18 PolarHBondContact O-OG 2.72Å; W15-S18 PolarHBondContact O-N 3Å; S18-A21 PolarHBondContact O-N 3.37Å; S18-A22 WeakPolarHBondContact O-CB 3.41Å; S18-A22 PolarHBondContact O-N 3.01Å
19T90.5Very high90.5Very high69 Ų6992.8 Ų92.842%0.42351%0.505SS..Hα-helixtrans-65.2-45174.851.40000111.6W15 K16 A21 A22 C23W15-T19 HydrophobicContact CE3-CG2 4.42Å; W15-T19 WeakPolarHBondContact O-CG2 3.3Å; W15-T19 PolarHBondContact O-N 3.17Å; W15-T19 PolarHBondContact O-OG1 3.12Å; W15-T19 VanDerWaalsContact O-OG1 3.11Å; K16-T19 PolarHBondContact O-OG1 3.42Å; T19-A21 VanDerWaalsContact C-N 3.34Å; T19-A21 PolarHBondContact O-N 3.42Å; T19-A22 PolarHBondContact O-N 3.48Å; T19-C23 PolarHBondContact O-N 2.7Å; T19-C23 PolarHBondContact O-SG 3.13Å; T19-C23 VanDerWaalsContact O-SG 3.33Å
20V94.5Very high91.3Very high101 Ų10196.6 Ų96.661%0.61252%0.519SS*.Hα-helixtrans-60-44.8175.6171.80000111.3K16 A22 C23 A24K16-V20 VanDerWaalsContact O-CG2 3.29Å; K16-V20 WeakPolarHBondContact O-CG2 3.35Å; K16-V20 PolarHBondContact O-N 2.93Å; V20-A22 PolarHBondContact O-N 3.41Å; V20-C23 PolarHBondContact O-N 3.42Å; V20-A24 WeakPolarHBondContact O-CB 3.41Å; V20-A24 PolarHBondContact O-N 3.27Å
21A92.8Very high92.1Very high47 Ų4799.5 Ų99.539%0.38852%0.521SS..Hα-helixtrans-62.4-42.4176.600000112.2K17 S18 T19 A24 L25K17-A21 WeakPolarHBondContact O-CB 3.17Å; K17-A21 PolarHBondContact O-N 2.8Å; S18-A21 PolarHBondContact O-N 3.37Å; T19-A21 VanDerWaalsContact C-N 3.34Å; T19-A21 PolarHBondContact O-N 3.42Å; A21-A24 PolarHBondContact O-N 2.91Å; A21-L25 WeakPolarHBondContact O-CB 3.16Å; A21-L25 VanDerWaalsContact O-CG 3.29Å; A21-L25 WeakPolarHBondContact O-CG 3.35Å; A21-L25 PolarHBondContact O-N 3.35Å
22A93.4Very high92.9Very high58 Ų58100.7 Ų100.748%0.47953%0.528SS..Hα-helixtrans-63.1-43.9176.500000112S18 T19 V20 L25 S26S18-A22 WeakPolarHBondContact O-CB 3.41Å; S18-A22 PolarHBondContact O-N 3.01Å; T19-A22 PolarHBondContact O-N 3.48Å; V20-A22 PolarHBondContact O-N 3.41Å; A22-L25 PolarHBondContact O-N 3.28Å; A22-S26 VanDerWaalsContact O-CB 3.26Å; A22-S26 WeakPolarHBondContact O-CB 3.43Å; A22-S26 PolarHBondContact O-N 3.23Å
23C95.3Very high93.6Very high90 Ų9099.4 Ų99.461%0.60852%0.524SS*.Hα-helixtrans-61.9-44.9174.9-69.40000111.8T19 V20 S26 Y27T19-C23 PolarHBondContact O-N 2.7Å; T19-C23 PolarHBondContact O-SG 3.13Å; T19-C23 VanDerWaalsContact O-SG 3.33Å; V20-C23 PolarHBondContact O-N 3.42Å; C23-S26 PolarHBondContact O-N 3.04Å; C23-Y27 VanDerWaalsContact O-CB 3.32Å; C23-Y27 WeakPolarHBondContact O-CB 3.42Å; C23-Y27 PolarHBondContact O-N 3.22Å
24A95.7Very high94Very high60 Ų6095.9 Ų95.950%0.49651%0.512SS..Hα-helixtrans-64.5-41.8178.800000112.3V20 A21 G28V20-A24 WeakPolarHBondContact O-CB 3.41Å; V20-A24 PolarHBondContact O-N 3.27Å; A21-A24 PolarHBondContact O-N 2.91Å; A24-G28 PolarHBondContact O-N 3.44Å
25L95.9Very high94.3Very high133 Ų13396.6 Ų96.670%0.69651%0.514SS*.Hα-helixtrans-67.4-41.4176-74172.4000112A21 A22 G28 G29A21-L25 WeakPolarHBondContact O-CB 3.16Å; A21-L25 VanDerWaalsContact O-CG 3.29Å; A21-L25 WeakPolarHBondContact O-CG 3.35Å; A21-L25 PolarHBondContact O-N 3.35Å; A22-L25 PolarHBondContact O-N 3.28Å; L25-G28 PolarHBondContact O-N 3.34Å; L25-G29 PolarHBondContact O-N 3.28Å
26S96Very high94.8Very high87 Ų8794 Ų9461%0.60851%0.508SS*.Hα-helixtrans-62-48.4175.8-178.50000111.1A22 C23 G29 H30A22-S26 VanDerWaalsContact O-CB 3.26Å; A22-S26 WeakPolarHBondContact O-CB 3.43Å; A22-S26 PolarHBondContact O-N 3.23Å; C23-S26 PolarHBondContact O-N 3.04Å; S26-G29 PolarHBondContact O-N 2.76Å; S26-H30 WeakPolarHBondContact O-CB 3.49Å; S26-H30 PolarHBondContact O-N 2.79Å
27Y96.9Very high95Very high169 Ų16989 Ų8966%0.66349%0.49SS*.Hα-helixtrans-61.7-47.7176.2179-97.7000112.1C23 G29 H30 W31C23-Y27 VanDerWaalsContact O-CB 3.32Å; C23-Y27 WeakPolarHBondContact O-CB 3.42Å; C23-Y27 PolarHBondContact O-N 3.22Å; Y27-G29 VanDerWaalsContact C-N 3.34Å; Y27-G29 PolarHBondContact O-N 2.9Å; Y27-H30 PolarHBondContact O-N 3.38Å; Y27-W31 WeakPolarHBondContact O-CB 3.45Å; Y27-W31 PolarHBondContact O-N 3.21Å
28G97.4Very high95.2Very high26 Ų2683.6 Ų83.627%0.26847%0.468SS..Hα-helixtrans-63.1-39.5178.100000112.7A24 L25 W31 L32A24-G28 PolarHBondContact O-N 3.44Å; L25-G28 PolarHBondContact O-N 3.34Å; G28-W31 PolarHBondContact O-N 3.5Å; G28-L32 WeakPolarHBondContact O-CB 3.22Å; G28-L32 WeakPolarHBondContact O-CG 3.28Å; G28-L32 PolarHBondContact O-N 2.85Å
29G97.4Very high95.6Very high37 Ų3786 Ų8638%0.38148%0.479SS..Hα-helixtrans-63.2-46174.100000112.2L25 S26 Y27 L32 Y33L25-G29 PolarHBondContact O-N 3.28Å; S26-G29 PolarHBondContact O-N 2.76Å; Y27-G29 VanDerWaalsContact C-N 3.34Å; Y27-G29 PolarHBondContact O-N 2.9Å; G29-L32 PolarHBondContact O-N 3.35Å; G29-Y33 VanDerWaalsContact O-CB 3.31Å; G29-Y33 WeakPolarHBondContact O-CB 3.38Å; G29-Y33 PolarHBondContact O-N 3.38Å
30H96.3Very high95.9Very high137 Ų13786 Ų8663%0.63448%0.476SS*.Hα-helixtrans-61.9-43.4175.2-175.577.2000112.1S26 Y27 Y33 G34S26-H30 WeakPolarHBondContact O-CB 3.49Å; S26-H30 PolarHBondContact O-N 2.79Å; Y27-H30 PolarHBondContact O-N 3.38Å; H30-Y33 PolarHBondContact O-N 2.97Å; H30-G34 PolarHBondContact O-N 3.4Å
31W96Very high96Very high139 Ų13983.5 Ų83.553%0.52746%0.459SS..Hα-helixtrans-62.9-44.6176.2178.186.3000112.6Y27 G28 G34 K35Y27-W31 WeakPolarHBondContact O-CB 3.45Å; Y27-W31 PolarHBondContact O-N 3.21Å; G28-W31 PolarHBondContact O-N 3.5Å; W31-G34 PolarHBondContact O-N 2.9Å; W31-K35 HydrophobicContact CH2-CD 4Å; W31-K35 HydrophobicContact CZ2-CD 4.31Å; W31-K35 HydrophobicContact CZ3-CD 4.45Å; W31-K35 PolarHBondContact O-N 3.19Å
32L96.9Very high96.2Very high105 Ų10583.7 Ų83.755%0.5545%0.449SS..Hα-helixtrans-63.7-41.9176-78.5173000111.8G28 G29 K35 H36G28-L32 WeakPolarHBondContact O-CB 3.22Å; G28-L32 WeakPolarHBondContact O-CG 3.28Å; G28-L32 PolarHBondContact O-N 2.85Å; G29-L32 PolarHBondContact O-N 3.35Å; L32-K35 PolarHBondContact O-N 2.91Å; L32-H36 PolarHBondContact O-N 2.92Å
33Y96.3Very high96.4Very high154 Ų15488.6 Ų88.660%0.60446%0.455SS*.Hα-helixtrans-60.5-47.1175.5-179.9-101.7000111.1G29 H30 K35 H36 C37G29-Y33 VanDerWaalsContact O-CB 3.31Å; G29-Y33 WeakPolarHBondContact O-CB 3.38Å; G29-Y33 PolarHBondContact O-N 3.38Å; H30-Y33 PolarHBondContact O-N 2.97Å; Y33-K35 VanDerWaalsContact C-N 3.33Å; Y33-K35 PolarHBondContact O-N 3.33Å; Y33-H36 WeakPolarHBondContact O-CB 3.33Å; Y33-H36 PolarHBondContact O-N 2.96Å; Y33-H36 VanDerWaalsContact O-N 3.08Å; Y33-C37 VanDerWaalsContact CE1-SG 3.51Å; Y33-C37 VanDerWaalsContact CZ-SG 3.53Å; Y33-C37 PolarHBondContact O-N 3.05Å; Y33-C37 PolarHBondContact O-SG 3.38Å; Y33-C37 VanDerWaalsContact O-SG 3.37Å
34G95.4Very high96.4Very high28 Ų2888.7 Ų88.729%0.28945%0.45SS..Hα-helixtrans-56.2-46174.500000112.3H30 W31 H36 C37 D38H30-G34 PolarHBondContact O-N 3.4Å; W31-G34 PolarHBondContact O-N 2.9Å; G34-H36 VanDerWaalsContact C-N 3.3Å; G34-H36 PolarHBondContact O-N 3.43Å; G34-C37 PolarHBondContact O-N 3.28Å; G34-D38 PolarHBondContact O-N 3.37Å
35K94.9Very high96.5Very high108 Ų10886.1 Ų86.147%0.4743%0.429SS..Hα-helixtrans-63.1-35.5176.5-169.5174.6-177.5-179.20112.8W31 L32 Y33 N39W31-K35 HydrophobicContact CH2-CD 4Å; W31-K35 HydrophobicContact CZ2-CD 4.31Å; W31-K35 HydrophobicContact CZ3-CD 4.45Å; W31-K35 PolarHBondContact O-N 3.19Å; L32-K35 PolarHBondContact O-N 2.91Å; Y33-K35 VanDerWaalsContact C-N 3.33Å; Y33-K35 PolarHBondContact O-N 3.33Å; K35-N39 VanDerWaalsContact O-CG 3.3Å; K35-N39 PolarHBondContact O-N 3.27Å; K35-N39 VanDerWaalsContact O-N 3.16Å; K35-N39 PolarHBondContact O-ND2 2.9Å
36H96.6Very high96.6Very high105 Ų10581.4 Ų81.449%0.48641%0.406SS..Hα-helixtrans-66.4-47.1174.3-179.372.1000111.3L32 Y33 G34 D38 N39 L40L32-H36 PolarHBondContact O-N 2.92Å; Y33-H36 WeakPolarHBondContact O-CB 3.33Å; Y33-H36 PolarHBondContact O-N 2.96Å; Y33-H36 VanDerWaalsContact O-N 3.08Å; G34-H36 VanDerWaalsContact C-N 3.3Å; G34-H36 PolarHBondContact O-N 3.43Å; H36-D38 VanDerWaalsContact C-N 3.32Å; H36-D38 PolarHBondContact O-N 3.32Å; H36-N39 WeakPolarHBondContact O-CB 3.41Å; H36-N39 PolarHBondContact O-N 2.81Å; H36-N39 VanDerWaalsContact O-N 3.09Å; H36-L40 PolarHBondContact O-N 3.26Å
37C96Very high96.6Very high34 Ų3480.1 Ų80.123%0.2339%0.392CS..Hα-helixtrans-57.6-43.2174.7-66.80000111.9Y33 G34 N39 L40 L41Y33-C37 VanDerWaalsContact CE1-SG 3.51Å; Y33-C37 VanDerWaalsContact CZ-SG 3.53Å; Y33-C37 PolarHBondContact O-N 3.05Å; Y33-C37 PolarHBondContact O-SG 3.38Å; Y33-C37 VanDerWaalsContact O-SG 3.37Å; G34-C37 PolarHBondContact O-N 3.28Å; C37-N39 VanDerWaalsContact C-N 3.27Å; C37-N39 PolarHBondContact O-N 2.7Å; C37-L40 WeakPolarHBondContact O-CB 3.4Å; C37-L40 PolarHBondContact O-N 3.37Å; C37-L40 VanDerWaalsContact O-N 3.17Å; C37-L41 WeakPolarHBondContact O-CG 3.3Å; C37-L41 PolarHBondContact O-N 2.88Å
38D96.1Very high96.6Very high37 Ų3773.6 Ų73.620%0.19837%0.374CS..Hα-helixtrans-61.3-36.8176.3-68.1-15000112.3G34 H36 R42 N173 V175G34-D38 PolarHBondContact O-N 3.37Å; H36-D38 VanDerWaalsContact C-N 3.32Å; H36-D38 PolarHBondContact O-N 3.32Å; D38-R42 VanDerWaalsContact CB-NH1 3.28Å; D38-R42 WeakPolarHBondContact O-CG 3.43Å; D38-R42 PolarHBondContact O-N 3.25Å; D38-R42 PolarHBondContact O-NH1 3.01Å; D38-N173 PolarHBondContact OD1-ND2 2.84Å; D38-V175 HydrophobicContact CB-CG1 4.48Å; D38-V175 HydrophobicContact CB-CG2 4.19Å
39N96.7Very high96.5Very high82 Ų8272.4 Ų72.444%0.43936%0.361SS..Hα-helixtrans-70.3-35.8176.4-71.9-17.3000112.4K35 H36 C37 R42 R43K35-N39 VanDerWaalsContact O-CG 3.3Å; K35-N39 PolarHBondContact O-N 3.27Å; K35-N39 VanDerWaalsContact O-N 3.16Å; K35-N39 PolarHBondContact O-ND2 2.9Å; H36-N39 WeakPolarHBondContact O-CB 3.41Å; H36-N39 PolarHBondContact O-N 2.81Å; H36-N39 VanDerWaalsContact O-N 3.09Å; C37-N39 VanDerWaalsContact C-N 3.27Å; C37-N39 PolarHBondContact O-N 2.7Å; N39-R42 PolarHBondContact O-N 3.13Å; N39-R42 PolarHBondContact OD1-NH1 2.89Å; N39-R43 WeakPolarHBondContact O-CB 3.34Å; N39-R43 PolarHBondContact O-N 3.31Å
40L97.1Very high96.5Very high69 Ų6975.2 Ų75.236%0.36136%0.36SS..Hα-helixtrans-62.7-47.4172.5-68.1175.7000110.6H36 C37 R42 R43 D44H36-L40 PolarHBondContact O-N 3.26Å; C37-L40 WeakPolarHBondContact O-CB 3.4Å; C37-L40 PolarHBondContact O-N 3.37Å; C37-L40 VanDerWaalsContact O-N 3.17Å; L40-R42 VanDerWaalsContact C-N 3.34Å; L40-R42 PolarHBondContact O-N 3.3Å; L40-R43 WeakPolarHBondContact O-CB 3.44Å; L40-R43 PolarHBondContact O-N 3.4Å; L40-R43 VanDerWaalsContact O-N 3.07Å; L40-D44 VanDerWaalsContact O-CG 3.3Å; L40-D44 PolarHBondContact O-N 2.85Å
41L96.3Very high96.4Very high49 Ų4974.9 Ų74.926%0.25736%0.359SS..Hα-helixtrans-57.1-44.8176.2-70.3171.9000112.4C37 R43 D44 A45 K176C37-L41 WeakPolarHBondContact O-CG 3.3Å; C37-L41 PolarHBondContact O-N 2.88Å; L41-R43 VanDerWaalsContact C-N 3.34Å; L41-R43 PolarHBondContact O-N 2.84Å; L41-D44 PolarHBondContact O-N 3.46Å; L41-A45 WeakPolarHBondContact O-CB 3.35Å; L41-A45 PolarHBondContact O-N 3.06Å; L41-K176 HydrophobicContact CD1-CB 4.02Å
42R97Very high96.3Very high50 Ų5071.1 Ų71.119%0.18935%0.346CS..Hα-helixtrans-60.6-43.7175.1-72.2174.3-169.998.116.4112D38 N39 L40 A45 C46 N86 V175D38-R42 VanDerWaalsContact CB-NH1 3.28Å; D38-R42 WeakPolarHBondContact O-CG 3.43Å; D38-R42 PolarHBondContact O-N 3.25Å; D38-R42 PolarHBondContact O-NH1 3.01Å; N39-R42 PolarHBondContact O-N 3.13Å; N39-R42 PolarHBondContact OD1-NH1 2.89Å; L40-R42 VanDerWaalsContact C-N 3.34Å; L40-R42 PolarHBondContact O-N 3.3Å; R42-A45 PolarHBondContact O-N 3.47Å; R42-C46 WeakPolarHBondContact O-CB 3.29Å; R42-C46 PolarHBondContact O-N 3.34Å; R42-C46 PolarHBondContact O-SG 3.26Å; R42-N86 PolarHBondContact NE-OD1 2.87Å; R42-N86 PolarHBondContact NH2-OD1 3.25Å; R42-V175 HydrophobicContact CG-CG1 4.06Å
43R97.5Very high96Very high162 Ų16267.7 Ų67.761%0.61134%0.336SS*.Hα-helixtrans-62.2-48.5179.5178.4-176.6174.9-176.4-2.3110.6N39 L40 L41 A45 C46 L47N39-R43 WeakPolarHBondContact O-CB 3.34Å; N39-R43 PolarHBondContact O-N 3.31Å; L40-R43 WeakPolarHBondContact O-CB 3.44Å; L40-R43 PolarHBondContact O-N 3.4Å; L40-R43 VanDerWaalsContact O-N 3.07Å; L41-R43 VanDerWaalsContact C-N 3.34Å; L41-R43 PolarHBondContact O-N 2.84Å; R43-A45 VanDerWaalsContact C-N 3.33Å; R43-A45 PolarHBondContact O-N 2.78Å; R43-C46 PolarHBondContact O-N 3.03Å; R43-L47 HydrophobicContact CG-CD1 4.2Å; R43-L47 WeakPolarHBondContact O-CG 3.18Å; R43-L47 PolarHBondContact O-N 2.79Å
44D96.9Very high95.9Very high92 Ų9268.1 Ų68.149%0.49234%0.337SS..Hα-helixtrans-62.9-43-178.8-64.9-16.7000110.7L40 L41 C46 L47 A48L40-D44 VanDerWaalsContact O-CG 3.3Å; L40-D44 PolarHBondContact O-N 2.85Å; L41-D44 PolarHBondContact O-N 3.46Å; D44-C46 PolarHBondContact O-N 3.46Å; D44-L47 PolarHBondContact O-N 2.81Å; D44-A48 PolarHBondContact O-N 2.74Å
45A96.8Very high95.7Very high6 Ų673 Ų735%0.0535%0.352CS..Hα-helixtrans-62.9-40.5174.800000112.9L41 R42 R43 L47 A48 A49 I90 T179 L183L41-A45 WeakPolarHBondContact O-CB 3.35Å; L41-A45 PolarHBondContact O-N 3.06Å; R42-A45 PolarHBondContact O-N 3.47Å; R43-A45 VanDerWaalsContact C-N 3.33Å; R43-A45 PolarHBondContact O-N 2.78Å; A45-L47 VanDerWaalsContact C-N 3.34Å; A45-A48 PolarHBondContact O-N 3.25Å; A45-A49 WeakPolarHBondContact O-CB 3.27Å; A45-A49 PolarHBondContact O-N 2.77Å; A45-I90 HydrophobicContact CB-CD1 3.73Å; A45-I90 HydrophobicContact CB-CG1 4.38Å; A45-T179 HydrophobicContact CB-CG2 4.17Å; A45-L183 HydrophobicContact CB-CD1 3.93Å; A45-L183 HydrophobicContact CB-CG 4.48Å
46C97.3Very high95.5Very high33 Ų3377.1 Ų77.122%0.22337%0.373CS..Hα-helixtrans-66.9-35.4175.3-69.40000112.4R42 R43 D44 A49 R50 L93R42-C46 WeakPolarHBondContact O-CB 3.29Å; R42-C46 PolarHBondContact O-N 3.34Å; R42-C46 PolarHBondContact O-SG 3.26Å; R43-C46 PolarHBondContact O-N 3.03Å; D44-C46 PolarHBondContact O-N 3.46Å; C46-A49 PolarHBondContact O-N 3.23Å; C46-R50 WeakPolarHBondContact O-CB 3.26Å; C46-R50 PolarHBondContact O-N 2.88Å; C46-L93 HydrophobicContact CB-CD1 3.7Å
47L97.2Very high95.3Very high60 Ų6076.7 Ų76.731%0.31437%0.373SS..Hα-helixtrans-65.1-44.6175.5-72.9173.4000111R43 D44 A45 R50 E51R43-L47 HydrophobicContact CG-CD1 4.2Å; R43-L47 WeakPolarHBondContact O-CG 3.18Å; R43-L47 PolarHBondContact O-N 2.79Å; D44-L47 PolarHBondContact O-N 2.81Å; A45-L47 VanDerWaalsContact C-N 3.34Å; L47-R50 WeakPolarHBondContact O-CB 3.34Å; L47-R50 PolarHBondContact O-N 3.01Å; L47-E51 PolarHBondContact O-N 2.81Å
48A96Very high95Very high33 Ų3377.1 Ų77.127%0.27338%0.377SS..Hα-helixtrans-60.7-47.3173.400000111.5D44 A45 R50 E51 F52 L183D44-A48 PolarHBondContact O-N 2.74Å; A45-A48 PolarHBondContact O-N 3.25Å; A48-R50 VanDerWaalsContact C-N 3.29Å; A48-R50 PolarHBondContact O-N 3.21Å; A48-E51 WeakPolarHBondContact O-CB 3.3Å; A48-E51 PolarHBondContact O-N 2.91Å; A48-F52 VanDerWaalsContact O-CD2 3.27Å; A48-F52 WeakPolarHBondContact O-CD2 3.36Å; A48-L183 HydrophobicContact CB-CD2 4.14Å
49A96.1Very high94.7Very high0 Ų082 Ų820%041%0.411CS..Hα-helixtrans-58.9-39.2177.400000113.1A45 C46 E51 F52 G53 I90 L93 L186A45-A49 WeakPolarHBondContact O-CB 3.27Å; A45-A49 PolarHBondContact O-N 2.77Å; C46-A49 PolarHBondContact O-N 3.23Å; A49-E51 PolarHBondContact O-N 3.06Å; A49-F52 WeakPolarHBondContact O-CB 3.4Å; A49-F52 PolarHBondContact O-N 2.91Å; A49-F52 VanDerWaalsContact O-N 3.14Å; A49-G53 PolarHBondContact O-N 2.94Å; A49-I90 HydrophobicContact CB-CB 4.3Å; A49-I90 HydrophobicContact CB-CG2 3.77Å; A49-L93 HydrophobicContact CB-CB 4.08Å; A49-L186 HydrophobicContact CB-CD1 4.11Å
50R96.4Very high94.3Very high97 Ų9787.1 Ų87.137%0.36643%0.431SS..Hα-helixtrans-63.2-29177.4-172.5-174.270.3175.60.6112.3C46 L47 A48 F52 G53 R54C46-R50 WeakPolarHBondContact O-CB 3.26Å; C46-R50 PolarHBondContact O-N 2.88Å; L47-R50 WeakPolarHBondContact O-CB 3.34Å; L47-R50 PolarHBondContact O-N 3.01Å; A48-R50 VanDerWaalsContact C-N 3.29Å; A48-R50 PolarHBondContact O-N 3.21Å; R50-F52 VanDerWaalsContact C-N 3.35Å; R50-G53 PolarHBondContact O-N 2.73Å; R50-R54 VanDerWaalsContact O-CG 3.3Å; R50-R54 WeakPolarHBondContact O-CG 3.46Å; R50-R54 PolarHBondContact O-N 3.47Å; R50-R54 VanDerWaalsContact O-N 3.12Å
51E95.5Very high93.8Very high129 Ų12989.6 Ų89.660%0.60344%0.441SS*.Hα-helixtrans-67.3-37.9175.3-67.8174.5178.500111.2L47 A48 A49 R54L47-E51 PolarHBondContact O-N 2.81Å; A48-E51 WeakPolarHBondContact O-CB 3.3Å; A48-E51 PolarHBondContact O-N 2.91Å; A49-E51 PolarHBondContact O-N 3.06Å; E51-R54 PolarHBondContact O-N 3.17Å
52F92.7Very high93.4Very high60 Ų6095.3 Ų95.326%0.26347%0.467SS..Hα-helixtrans-62.2-46.5171.5-67.5-85.7000111.8A48 A49 R50 R54 Q55 L186 Q187A48-F52 VanDerWaalsContact O-CD2 3.27Å; A48-F52 WeakPolarHBondContact O-CD2 3.36Å; A49-F52 WeakPolarHBondContact O-CB 3.4Å; A49-F52 PolarHBondContact O-N 2.91Å; A49-F52 VanDerWaalsContact O-N 3.14Å; R50-F52 VanDerWaalsContact C-N 3.35Å; F52-R54 PolarHBondContact O-N 2.85Å; F52-Q55 WeakPolarHBondContact O-CB 3.47Å; F52-Q55 VanDerWaalsContact O-CG 3.31Å; F52-Q55 WeakPolarHBondContact O-CG 3.21Å; F52-Q55 PolarHBondContact O-N 3.2Å; F52-Q55 VanDerWaalsContact O-N 3.17Å; F52-L186 HydrophobicContact CD2-CB 4.45Å; F52-L186 HydrophobicContact CD2-CD1 4.41Å; F52-L186 HydrophobicContact CE2-CB 4.45Å; F52-Q187 HydrophobicContact CZ-CG 4.2Å
53G92.3Very high93.1Very high33 Ų3396.9 Ų96.934%0.3448%0.479SS..Hα-helixtrans-69-14.8179.200000115.2A49 R50 L93 A94A49-G53 PolarHBondContact O-N 2.94Å; R50-G53 PolarHBondContact O-N 2.73Å; G53-L93 WeakPolarHBondContact CA-O 3.24Å; G53-A94 WeakPolarHBondContact CA-O 3.44Å
54R94.1Very high92.8Very high164 Ų16496 Ų9662%0.61948%0.479SS*.THydrogen-bonded Turntrans-85.6-7.9175.3-79.9174.8172.7-174.5-5.1113.5R50 E51 F52 Q56R50-R54 VanDerWaalsContact O-CG 3.3Å; R50-R54 WeakPolarHBondContact O-CG 3.46Å; R50-R54 PolarHBondContact O-N 3.47Å; R50-R54 VanDerWaalsContact O-N 3.12Å; E51-R54 PolarHBondContact O-N 3.17Å; F52-R54 PolarHBondContact O-N 2.85Å; R54-Q56 PolarHBondContact O-N 3.07Å
55Q91Very high92.7Very high129 Ų12995.8 Ų95.860%0.60347%0.474SS*.SBendtrans-63.1134.5177.5-651772.200109.7F52F52-Q55 WeakPolarHBondContact O-CB 3.47Å; F52-Q55 VanDerWaalsContact O-CG 3.31Å; F52-Q55 WeakPolarHBondContact O-CG 3.21Å; F52-Q55 PolarHBondContact O-N 3.2Å; F52-Q55 VanDerWaalsContact O-N 3.17Å
56Q90.9Very high92.6Very high196 Ų19695.5 Ų95.592%0.91647%0.472SS*.  trans-78.4131.2179-67-178.9-25.100109.4R54R54-Q56 PolarHBondContact O-N 3.07Å
57I90.8Very high92.6Very high95 Ų9594.6 Ų94.649%0.48747%0.465SS..  trans-104.9148.917361.5174.6000109.5L63I57-L63 HydrophobicContact CD1-CD2 3.55Å; I57-L63 HydrophobicContact CD1-CG 4.34Å
58S90.6Very high92.5Very high44 Ų4491.7 Ų91.731%0.30845%0.45SS..  trans-69148173.270.50000109.9Q60 E61S58-Q60 PolarHBondContact O-N 2.78Å; S58-E61 PolarHBondContact O-N 2.73Å; S58-E61 WeakPolarHBondContact OG-CB 3.2Å; S58-E61 WeakPolarHBondContact OG-CG 3.29Å; S58-E61 PolarHBondContact OG-N 2.83Å; S58-E61 PolarHBondContact OG-OE1 2.99Å
59P89.1Confident92.6Very high140 Ų14090.1 Ų90.191%0.90944%0.437SS*.THydrogen-bonded Turntrans-61.7-15.7-179.3-22.932.9000114.5
60Q88.4Confident92.6Very high188 Ų18890.1 Ų90.188%0.87944%0.437SS*.THydrogen-bonded Turntrans-92.9-20.1-179.9-63.5-179.8-5.900112.5S58S58-Q60 PolarHBondContact O-N 2.78Å
61E87.9Confident92.5Very high122 Ų12287.2 Ų87.257%0.5743%0.428SS*.SBendtrans-79135176.6-82.3162.5-131.700110.8S58S58-E61 PolarHBondContact O-N 2.73Å; S58-E61 WeakPolarHBondContact OG-CB 3.2Å; S58-E61 WeakPolarHBondContact OG-CG 3.29Å; S58-E61 PolarHBondContact OG-N 2.83Å; S58-E61 PolarHBondContact OG-OE1 2.99Å
62Q87.6Confident92.4Very high168 Ų16882.9 Ų82.979%0.78541%0.411SS*.PPolyproline II helixtrans-84.5150.2174.2-66.2-172.2-10.800110.4
63L89.1Confident92.3Very high84 Ų8483.4 Ų83.444%0.4443%0.427SS..PPolyproline II helixtrans-62.9140.2171.4-65.4172.8000109.7I57 K65 G95I57-L63 HydrophobicContact CD1-CD2 3.55Å; I57-L63 HydrophobicContact CD1-CG 4.34Å; L63-K65 PolarHBondContact O-N 2.86Å; L63-G95 WeakPolarHBondContact CD2-O 3.22Å
64K91.6Very high92Very high142 Ų14282.5 Ų82.562%0.61742%0.416SS*.PPolyproline II helixtrans-62.6133.2174.5-66.5-179.2-178.9176.10109.6M96 E97 D120K64-M96 HydrophobicContact CB-CB 4.49Å; K64-M96 WeakPolarHBondContact O-CB 3.26Å; K64-E97 PolarHBondContact O-N 2.86Å; K64-D120 WeakPolarHBondContact CA-OD2 3.14Å
65K94.4Very high91.6Very high88 Ų8875.8 Ų75.838%0.38339%0.394SS..EExtended strand (participates in β ladder)trans-98.2120.3177.4-59.2-171.5-179.7-170.20110.8L63 E97 D120 M121L63-K65 PolarHBondContact O-N 2.86Å; K65-E97 VanDerWaalsContact CE-OE2 3.24Å; K65-E97 WeakPolarHBondContact CE-OE2 3.27Å; K65-E97 HydrophobicContact CG-CB 4.32Å; K65-E97 IonicContact NZ-OE2 3.8Å; K65-D120 PolarHBondContact N-OD2 2.85Å; K65-D120 PolarHBondContact O-N 3.38Å; K65-M121 PolarHBondContact O-N 2.83Å; K65-M121 VanDerWaalsContact O-N 3.16Å
66A95.6Very high91.3Very high1 Ų180 Ų801%0.00841%0.405CS..EExtended strand (participates in β ladder)trans-114.3124.5176.500000110.2M96 E97 V98 T99 M121 I123A66-M96 HydrophobicContact CB-SD 4Å; A66-E97 PolarHBondContact N-O 2.74Å; A66-V98 CarbonylContact O-C 3.43Å; A66-V98 WeakPolarHBondContact O-CA 3.41Å; A66-T99 PolarHBondContact O-N 3.36Å; A66-M121 WeakPolarHBondContact CA-O 3.34Å; A66-M121 HydrophobicContact CB-CB 4.33Å; A66-I123 HydrophobicContact CB-CD1 4.2Å
67T96.4Very high91.2Very high13 Ų1372.8 Ų72.88%0.0838%0.382CS..EExtended strand (participates in β ladder)trans-101.5125170.4-59.80000109.4T99 V101 M116 T119 M121 I123T67-T99 CarbonylContact C-O 3.58Å; T67-T99 WeakPolarHBondContact CA-O 2.92Å; T67-V101 HydrophobicContact CG2-CG2 4.31Å; T67-M116 HydrophobicContact CG2-CE 3.71Å; T67-M116 HydrophobicContact CG2-SD 4.05Å; T67-M116 VanDerWaalsContact OG1-CE 3.29Å; T67-M116 WeakPolarHBondContact OG1-CE 3.27Å; T67-T119 WeakPolarHBondContact OG1-CG2 3.38Å; T67-M121 PolarHBondContact N-O 3.23Å; T67-I123 PolarHBondContact O-N 2.81Å
68V97Very high91.2Very high0 Ų074.5 Ų74.50%039%0.386CS..EExtended strand (participates in β ladder)trans-105.7120.6179-174.80000109.2F83 L91 V98 T99 L100 V101 I123 A125V68-F83 HydrophobicContact CG1-CE2 3.83Å; V68-F83 HydrophobicContact CG1-CZ 3.71Å; V68-L91 HydrophobicContact CG2-CD1 3.94Å; V68-V98 HydrophobicContact CG2-CG1 3.73Å; V68-T99 PolarHBondContact N-O 3.03Å; V68-L100 HydrophobicContact CB-CD1 3.82Å; V68-L100 HydrophobicContact CG1-CD1 3.73Å; V68-V101 PolarHBondContact O-N 3.34Å; V68-I123 CarbonylContact C-O 3.6Å; V68-I123 VanDerWaalsContact CA-O 3.27Å; V68-I123 WeakPolarHBondContact CA-O 3.25Å; V68-I123 HydrophobicContact CB-CB 4.48Å; V68-I123 HydrophobicContact CG1-CB 4.45Å; V68-I123 HydrophobicContact CG1-CG2 4.28Å; V68-I123 HydrophobicContact CG2-CB 4.06Å; V68-I123 HydrophobicContact CG2-CD1 4.19Å; V68-I123 HydrophobicContact CG2-CG2 4.41Å; V68-A125 HydrophobicContact CG1-CB 4.18Å
69I97.1Very high91.4Very high0 Ų072.4 Ų72.40%037%0.372CS..EExtended strand (participates in β ladder)trans-99.4114.1171.9-60.2179.8000108.2V101 T103 A109 L112 M113 L122 I123 A125 V134I69-V101 WeakPolarHBondContact CA-O 3.36Å; I69-T103 HydrophobicContact CG2-CG2 3.83Å; I69-A109 HydrophobicContact CG2-CB 4.17Å; I69-L112 HydrophobicContact CD1-CD2 4.44Å; I69-M113 HydrophobicContact CD1-CG 4.06Å; I69-M113 HydrophobicContact CD1-SD 3.3Å; I69-M113 WeakPolarHBondContact CD1-SD 3.38Å; I69-L122 HydrophobicContact CD1-CD1 3.94Å; I69-L122 HydrophobicContact CG1-CD1 4.25Å; I69-I123 PolarHBondContact N-O 2.79Å; I69-A125 PolarHBondContact O-N 2.77Å; I69-V134 HydrophobicContact CB-CG2 4.36Å; I69-V134 HydrophobicContact CD1-CG1 4.28Å; I69-V134 HydrophobicContact CD1-CG2 3.74Å; I69-V134 HydrophobicContact CG2-CG2 4.03Å
70L96.6Very high91.7Very high0 Ų067.8 Ų67.80%034%0.339CS..EExtended strand (participates in β ladder)trans-112.1125.3-177.5173.764.1000110.6P72 F83 L100 V101 K102 T103 A125 L157L70-P72 VanDerWaalsContact O-CD 3.22Å; L70-P72 WeakPolarHBondContact O-CD 3.34Å; L70-F83 HydrophobicContact CD1-CB 3.96Å; L70-F83 HydrophobicContact CD1-CG 4.11Å; L70-F83 HydrophobicContact CD2-CB 4.26Å; L70-F83 HydrophobicContact CD2-CD1 3.89Å; L70-F83 HydrophobicContact CD2-CG 4.16Å; L70-L100 HydrophobicContact CB-CD1 3.9Å; L70-L100 HydrophobicContact CD2-CD1 4.26Å; L70-V101 PolarHBondContact N-O 3.29Å; L70-K102 HydrophobicContact CD2-CD 4.41Å; L70-K102 HydrophobicContact CD2-CG 4.31Å; L70-K102 WeakPolarHBondContact O-CA 3.25Å; L70-T103 PolarHBondContact O-N 2.94Å; L70-T103 PolarHBondContact O-OG1 2.88Å; L70-A125 WeakPolarHBondContact CA-O 3.23Å; L70-A125 HydrophobicContact CB-CB 4.43Å; L70-A125 HydrophobicContact CD1-CB 3.84Å; L70-L157 HydrophobicContact CD1-CD1 3.62Å
71N94.6Very high92Very high35 Ų3563.4 Ų63.419%0.18732%0.322CS..  trans-92.7102.4165.8-178.6-6.2000110.5A73 A74 A79 T103 A125 T130N71-A73 VanDerWaalsContact C-N 3.29Å; N71-A73 PolarHBondContact O-N 3.07Å; N71-A73 WeakPolarHBondContact OD1-CB 3.4Å; N71-A73 PolarHBondContact OD1-N 3.03Å; N71-A74 HydrophobicContact CB-CB 4.29Å; N71-A74 WeakPolarHBondContact O-CB 3.39Å; N71-A74 PolarHBondContact O-N 3.29Å; N71-A74 PolarHBondContact OD1-N 3.02Å; N71-A79 VanDerWaalsContact O-CB 3.28Å; N71-A79 WeakPolarHBondContact O-CB 3.19Å; N71-T103 WeakPolarHBondContact CA-OG1 3.15Å; N71-A125 PolarHBondContact N-O 2.75Å; N71-A125 VanDerWaalsContact N-O 3.12Å; N71-T130 HydrophobicContact CB-CG2 3.81Å; N71-T130 WeakPolarHBondContact CB-OG1 3.24Å; N71-T130 PolarHBondContact ND2-OG1 3.16Å
72P93.3Very high92.4Very high38 Ų3859 Ų5925%0.24730%0.302CS..THydrogen-bonded Turntrans-67.6-27.5-178.629.3-35000113L70 A74 G77 N80 T103L70-P72 VanDerWaalsContact O-CD 3.22Å; L70-P72 WeakPolarHBondContact O-CD 3.34Å; P72-A74 VanDerWaalsContact C-N 3.28Å; P72-A74 PolarHBondContact O-N 3.05Å; P72-G77 WeakPolarHBondContact O-CA 3.16Å; P72-N80 HydrophobicContact CB-CB 3.98Å; P72-T103 WeakPolarHBondContact CD-O 3.25Å; P72-T103 WeakPolarHBondContact CG-O 3.34Å
73A89.7Confident92.8Very high71 Ų7151.1 Ų51.159%0.58727%0.265SS*.THydrogen-bonded Turntrans-75.5-16.6-179.100000113N71 G77N71-A73 VanDerWaalsContact C-N 3.29Å; N71-A73 PolarHBondContact O-N 3.07Å; N71-A73 WeakPolarHBondContact OD1-CB 3.4Å; N71-A73 PolarHBondContact OD1-N 3.03Å; A73-G77 PolarHBondContact O-N 3.06Å
74A85.8Confident93.2Very high14 Ų1450.9 Ų50.912%0.11626%0.262CS..Hα-helixtrans-57.4152.3177.800000112.5N71 P72 R76 G77 K78 A79N71-A74 HydrophobicContact CB-CB 4.29Å; N71-A74 WeakPolarHBondContact O-CB 3.39Å; N71-A74 PolarHBondContact O-N 3.29Å; N71-A74 PolarHBondContact OD1-N 3.02Å; P72-A74 VanDerWaalsContact C-N 3.28Å; P72-A74 PolarHBondContact O-N 3.05Å; A74-R76 VanDerWaalsContact C-N 3.31Å; A74-R76 PolarHBondContact O-N 2.79Å; A74-G77 PolarHBondContact O-N 2.79Å; A74-K78 PolarHBondContact O-N 2.73Å; A74-A79 HydrophobicContact CB-CB 3.76Å; A74-A79 WeakPolarHBondContact O-CB 3.29Å; A74-A79 PolarHBondContact O-N 2.87Å
75C86.1Confident93.4Very high24 Ų2450.6 Ų50.616%0.16226%0.261CS..Hα-helixtrans51.845.9-179-162.10000113.6G77 K78 L157C75-G77 PolarHBondContact O-N 2.96Å; C75-K78 PolarHBondContact O-N 3.25Å; C75-L157 WeakPolarHBondContact CB-O 3.48Å
76R85.8Confident93.5Very high218 Ų21846.6 Ų46.682%0.82324%0.243SC*.Hα-helixtrans60.542.3179.9-48.1178.2-174.5178.81.6112.3A74 K78A74-R76 VanDerWaalsContact C-N 3.31Å; A74-R76 PolarHBondContact O-N 2.79Å; R76-K78 VanDerWaalsContact C-N 3.31Å; R76-K78 PolarHBondContact O-N 2.76Å
77G87.8Confident93.5Very high43 Ų4346.5 Ų46.544%0.44324%0.243SC..Hα-helixtrans76.110.7177.400000115.5P72 A73 A74 C75P72-G77 WeakPolarHBondContact O-CA 3.16Å; A73-G77 PolarHBondContact O-N 3.06Å; A74-G77 PolarHBondContact O-N 2.79Å; C75-G77 PolarHBondContact O-N 2.96Å
78K91.4Very high93.6Very high131 Ų13146.2 Ų46.257%0.5724%0.242SC*.THydrogen-bonded Turntrans-92.5-14.2179.6-63.5-177.7-178178.50113.3A74 C75 R76 N80 N81 L82A74-K78 PolarHBondContact O-N 2.73Å; C75-K78 PolarHBondContact O-N 3.25Å; R76-K78 VanDerWaalsContact C-N 3.31Å; R76-K78 PolarHBondContact O-N 2.76Å; K78-N80 VanDerWaalsContact C-N 3.34Å; K78-N80 PolarHBondContact O-N 3.5Å; K78-N81 PolarHBondContact O-N 2.98Å; K78-L82 HydrophobicContact CB-CD1 4.22Å; K78-L82 WeakPolarHBondContact O-CG 3.44Å; K78-L82 PolarHBondContact O-N 2.77Å
79A93.4Very high93.6Very high0 Ų048.4 Ų48.40%026%0.256CS..Hα-helixtrans-56.9-44-173.500000112.9N71 A74 N81 L82 F83 L157N71-A79 VanDerWaalsContact O-CB 3.28Å; N71-A79 WeakPolarHBondContact O-CB 3.19Å; A74-A79 HydrophobicContact CB-CB 3.76Å; A74-A79 WeakPolarHBondContact O-CB 3.29Å; A74-A79 PolarHBondContact O-N 2.87Å; A79-N81 PolarHBondContact O-N 2.78Å; A79-L82 PolarHBondContact O-N 3.21Å; A79-F83 WeakPolarHBondContact O-CB 3.18Å; A79-F83 PolarHBondContact O-N 2.8Å; A79-L157 HydrophobicContact CB-CB 4.07Å; A79-L157 HydrophobicContact CB-CD1 4.13Å
80N95.6Very high93.6Very high43 Ų4348.4 Ų48.423%0.2326%0.256CS..Hα-helixtrans-57.2-49.6177.2-174.864.8000112.1P72 K78 L82 F83 E84 K102P72-N80 HydrophobicContact CB-CB 3.98Å; K78-N80 VanDerWaalsContact C-N 3.34Å; K78-N80 PolarHBondContact O-N 3.5Å; N80-L82 VanDerWaalsContact C-N 3.31Å; N80-L82 PolarHBondContact O-N 3.34Å; N80-F83 PolarHBondContact O-N 3.46Å; N80-E84 WeakPolarHBondContact O-CB 3.17Å; N80-E84 WeakPolarHBondContact O-CG 3.49Å; N80-E84 PolarHBondContact O-N 2.93Å; N80-K102 PolarHBondContact OD1-NZ 2.85Å
81N95.4Very high93.6Very high97 Ų9748.5 Ų48.552%0.51926%0.256SS..Hα-helixtrans-66.2-33179.2-73.8-30.3000113.1K78 A79 K85K78-N81 PolarHBondContact O-N 2.98Å; A79-N81 PolarHBondContact O-N 2.78Å; N81-K85 WeakPolarHBondContact O-CB 3.41Å; N81-K85 VanDerWaalsContact O-CG 3.25Å; N81-K85 WeakPolarHBondContact O-CG 3.47Å; N81-K85 PolarHBondContact O-N 3.37Å
82L95.6Very high93.6Very high28 Ų2852.7 Ų52.715%0.14727%0.274CS..Hα-helixtrans-70.2-43.5176.3-73168.7000111.1K78 A79 N80 N86 L157 Q174 I178K78-L82 HydrophobicContact CB-CD1 4.22Å; K78-L82 WeakPolarHBondContact O-CG 3.44Å; K78-L82 PolarHBondContact O-N 2.77Å; A79-L82 PolarHBondContact O-N 3.21Å; N80-L82 VanDerWaalsContact C-N 3.31Å; N80-L82 PolarHBondContact O-N 3.34Å; L82-N86 WeakPolarHBondContact O-CB 3.41Å; L82-N86 VanDerWaalsContact O-CG 3.25Å; L82-N86 PolarHBondContact O-N 2.86Å; L82-N86 PolarHBondContact O-ND2 2.89Å; L82-N86 VanDerWaalsContact O-ND2 3.09Å; L82-L157 HydrophobicContact CB-CD2 4.05Å; L82-Q174 VanDerWaalsContact CD1-NE2 3.33Å; L82-I178 HydrophobicContact CB-CD1 4.22Å; L82-I178 HydrophobicContact CD2-CD1 4.46Å
83F97.1Very high93.8Very high4 Ų454.2 Ų54.22%0.01828%0.28CS..Hα-helixtrans-62.2-54.5177.7-179.6-98.9000111.6V68 L70 A79 N80 K85 N86 A87 A88 L91 L100 A125 I155 L157V68-F83 HydrophobicContact CG1-CE2 3.83Å; V68-F83 HydrophobicContact CG1-CZ 3.71Å; L70-F83 HydrophobicContact CD1-CB 3.96Å; L70-F83 HydrophobicContact CD1-CG 4.11Å; L70-F83 HydrophobicContact CD2-CB 4.26Å; L70-F83 HydrophobicContact CD2-CD1 3.89Å; L70-F83 HydrophobicContact CD2-CG 4.16Å; A79-F83 WeakPolarHBondContact O-CB 3.18Å; A79-F83 PolarHBondContact O-N 2.8Å; N80-F83 PolarHBondContact O-N 3.46Å; F83-K85 PolarHBondContact O-N 3.07Å; F83-N86 PolarHBondContact O-N 2.88Å; F83-A87 HydrophobicContact CD2-CB 3.78Å; F83-A87 HydrophobicContact CE2-CB 3.86Å; F83-A87 PolarHBondContact O-N 2.97Å; F83-A88 HydrophobicContact CD1-CB 4.19Å; F83-A88 HydrophobicContact CE1-CB 3.8Å; F83-A88 HydrophobicContact CZ-CB 4.31Å; F83-A88 PolarHBondContact O-N 2.85Å; F83-L91 HydrophobicContact CE2-CD1 4.29Å; F83-L91 HydrophobicContact CZ-CD1 4.11Å; F83-L100 HydrophobicContact CD1-CD1 4.45Å; F83-L100 HydrophobicContact CE1-CD1 3.72Å; F83-L100 HydrophobicContact CE1-CD2 4.07Å; F83-L100 HydrophobicContact CZ-CD1 4.07Å; F83-A125 HydrophobicContact CD2-CB 3.83Å; F83-A125 HydrophobicContact CE2-CB 4.07Å; F83-I155 HydrophobicContact CE2-CD1 4.01Å; F83-L157 HydrophobicContact CB-CD1 3.86Å; F83-L157 HydrophobicContact CD2-CD1 4.35Å
84E96.3Very high93.9Very high78 Ų7851.4 Ų51.436%0.36426%0.257SS..Hα-helixtrans-59.6-32.1-177.1-65-77.5-178.100112.2N80 P89 K102N80-E84 WeakPolarHBondContact O-CB 3.17Å; N80-E84 WeakPolarHBondContact O-CG 3.49Å; N80-E84 PolarHBondContact O-N 2.93Å; E84-P89 WeakPolarHBondContact O-CD 3.41Å; E84-K102 IonicContact OE1-NZ 4Å; E84-K102 PolarHBondContact OE1-NZ 2.91Å
85K96Very high94.2Very high137 Ų13752.7 Ų52.760%0.59627%0.272SS*.Hα-helixtrans-87.5-35.1-179.6-71.8-179.9-179.6179.40114.5N81 F83N81-K85 WeakPolarHBondContact O-CB 3.41Å; N81-K85 VanDerWaalsContact O-CG 3.25Å; N81-K85 WeakPolarHBondContact O-CG 3.47Å; N81-K85 PolarHBondContact O-N 3.37Å; F83-K85 PolarHBondContact O-N 3.07Å
86N96.6Very high94.5Very high3 Ų352.9 Ų52.92%0.01627%0.271CS..Hα-helixtrans-109.4-32.8-166.5-53.9-35.6000112.9R42 L82 F83 I90 I178 T179R42-N86 PolarHBondContact NE-OD1 2.87Å; R42-N86 PolarHBondContact NH2-OD1 3.25Å; L82-N86 WeakPolarHBondContact O-CB 3.41Å; L82-N86 VanDerWaalsContact O-CG 3.25Å; L82-N86 PolarHBondContact O-N 2.86Å; L82-N86 PolarHBondContact O-ND2 2.89Å; L82-N86 VanDerWaalsContact O-ND2 3.09Å; F83-N86 PolarHBondContact O-N 2.88Å; N86-I90 WeakPolarHBondContact O-CD1 3.47Å; N86-I178 HydrophobicContact CB-CB 4.34Å; N86-I178 HydrophobicContact CB-CG2 3.78Å; N86-T179 HydrophobicContact CB-CG2 4.35Å
87A96.9Very high94.9Very high0 Ų047 Ų470%025%0.253CS..THydrogen-bonded Turntrans-113.4-42.7-172.400000113.2F83 I90 L91 I155 I178 T182F83-A87 HydrophobicContact CD2-CB 3.78Å; F83-A87 HydrophobicContact CE2-CB 3.86Å; F83-A87 PolarHBondContact O-N 2.97Å; A87-I90 WeakPolarHBondContact O-CB 3.39Å; A87-I90 PolarHBondContact O-N 2.88Å; A87-I90 VanDerWaalsContact O-N 3.07Å; A87-L91 PolarHBondContact O-N 3.33Å; A87-L91 VanDerWaalsContact O-N 3.14Å; A87-I155 HydrophobicContact CB-CD1 4.12Å; A87-I155 HydrophobicContact CB-CG2 4.45Å; A87-I178 HydrophobicContact CB-CG2 4.1Å; A87-T182 HydrophobicContact CB-CG2 4.21Å; A87-T182 WeakPolarHBondContact CB-OG1 3.43Å
88A96.9Very high95.3Very high6 Ų646.4 Ų46.45%0.0524%0.24CC..Hα-helixtrans-55.4-44.2-177.500000113.6F83 I90 L91 H92F83-A88 HydrophobicContact CD1-CB 4.19Å; F83-A88 HydrophobicContact CE1-CB 3.8Å; F83-A88 HydrophobicContact CZ-CB 4.31Å; F83-A88 PolarHBondContact O-N 2.85Å; A88-I90 VanDerWaalsContact C-N 3.28Å; A88-I90 PolarHBondContact O-N 3.07Å; A88-L91 PolarHBondContact O-N 2.92Å; A88-H92 PolarHBondContact O-CD2 2.83Å; A88-H92 PolarHBondContact O-N 2.83Å
89P97Very high95.5Very high46 Ų4643.5 Ų43.530%0.29923%0.233SC..Hα-helixtrans-62.6-35.8178.1-22.635.1000112.8E84 L93E84-P89 WeakPolarHBondContact O-CD 3.41Å; P89-L93 VanDerWaalsContact O-CB 3.31Å; P89-L93 WeakPolarHBondContact O-CB 3.29Å; P89-L93 WeakPolarHBondContact O-CD1 3.48Å; P89-L93 WeakPolarHBondContact O-CG 3.49Å; P89-L93 PolarHBondContact O-N 3.01Å
90I97.4Very high95.6Very high1 Ų146.4 Ų46.41%0.00525%0.249CC..Hα-helixtrans-64.8-47.9179.5-60.5179.1000109.6A45 A49 N86 A87 A88 L93 A94 T179 T182 L183 L186A45-I90 HydrophobicContact CB-CD1 3.73Å; A45-I90 HydrophobicContact CB-CG1 4.38Å; A49-I90 HydrophobicContact CB-CB 4.3Å; A49-I90 HydrophobicContact CB-CG2 3.77Å; N86-I90 WeakPolarHBondContact O-CD1 3.47Å; A87-I90 WeakPolarHBondContact O-CB 3.39Å; A87-I90 PolarHBondContact O-N 2.88Å; A87-I90 VanDerWaalsContact O-N 3.07Å; A88-I90 VanDerWaalsContact C-N 3.28Å; A88-I90 PolarHBondContact O-N 3.07Å; I90-L93 PolarHBondContact O-N 2.93Å; I90-A94 PolarHBondContact O-N 3.07Å; I90-T179 HydrophobicContact CD1-CG2 3.98Å; I90-T182 HydrophobicContact CB-CG2 3.95Å; I90-T182 HydrophobicContact CD1-CG2 4.45Å; I90-T182 HydrophobicContact CG2-CG2 3.68Å; I90-L183 HydrophobicContact CG2-CD2 3.95Å; I90-L183 HydrophobicContact CG2-CG 4.48Å; I90-L186 HydrophobicContact CG2-CD1 3.67Å
91L96.3Very high95.6Very high1 Ų146.3 Ų46.31%0.00525%0.249CC..Hα-helixtrans-64.6-42.6-179.8-64.6175.5000112.3V68 F83 A87 A88 A94 M96 V98 I123 T182 L186V68-L91 HydrophobicContact CG2-CD1 3.94Å; F83-L91 HydrophobicContact CE2-CD1 4.29Å; F83-L91 HydrophobicContact CZ-CD1 4.11Å; A87-L91 PolarHBondContact O-N 3.33Å; A87-L91 VanDerWaalsContact O-N 3.14Å; A88-L91 PolarHBondContact O-N 2.92Å; L91-A94 PolarHBondContact O-N 2.89Å; L91-M96 HydrophobicContact CD2-SD 4.44Å; L91-V98 HydrophobicContact CB-CG2 4.01Å; L91-I123 HydrophobicContact CD1-CD1 4.21Å; L91-I123 HydrophobicContact CD2-CD1 3.86Å; L91-T182 HydrophobicContact CD2-CG2 3.76Å; L91-T182 HydrophobicContact CG-CG2 3.88Å; L91-L186 HydrophobicContact CD2-CD2 4.3Å
92H95.4Very high95.6Very high123 Ų12345.4 Ų45.457%0.56924%0.241SC*.Hα-helixtrans-69.4-32.4178.5-70.4-56.1000113.3A88 A94A88-H92 PolarHBondContact O-CD2 2.83Å; A88-H92 PolarHBondContact O-N 2.83Å; H92-A94 VanDerWaalsContact C-N 3.28Å; H92-A94 PolarHBondContact O-N 2.84Å
93L96.1Very high95.6Very high71 Ų7144.4 Ų44.437%0.37224%0.236SC..Hα-helixtrans-74.3-18.6176.5-73.2172.7000113.4C46 A49 G53 P89 I90 G95C46-L93 HydrophobicContact CB-CD1 3.7Å; A49-L93 HydrophobicContact CB-CB 4.08Å; G53-L93 WeakPolarHBondContact CA-O 3.24Å; P89-L93 VanDerWaalsContact O-CB 3.31Å; P89-L93 WeakPolarHBondContact O-CB 3.29Å; P89-L93 WeakPolarHBondContact O-CD1 3.48Å; P89-L93 WeakPolarHBondContact O-CG 3.49Å; P89-L93 PolarHBondContact O-N 3.01Å; I90-L93 PolarHBondContact O-N 2.93Å; L93-G95 PolarHBondContact O-N 2.89Å
94A93.8Very high95.3Very high12 Ų1250.4 Ų50.410%0.09927%0.268CS..THydrogen-bonded Turntrans-75.6-5.3-176.600000114.5G53 I90 L91 H92 M96 L186G53-A94 WeakPolarHBondContact CA-O 3.44Å; I90-A94 PolarHBondContact O-N 3.07Å; L91-A94 PolarHBondContact O-N 2.89Å; H92-A94 VanDerWaalsContact C-N 3.28Å; H92-A94 PolarHBondContact O-N 2.84Å; A94-M96 HydrophobicContact CB-CG 4.2Å; A94-L186 HydrophobicContact CB-CD1 3.61Å; A94-L186 HydrophobicContact CB-CD2 3.45Å; A94-L186 VanDerWaalsContact CB-CD2 3.45Å; A94-L186 HydrophobicContact CB-CG 4.17Å
95G90.4Very high95Very high41 Ų4152.8 Ų52.842%0.42328%0.275SS..THydrogen-bonded Turntrans73.441178.500000113.5L63 L93L63-G95 WeakPolarHBondContact CD2-O 3.22Å; L93-G95 PolarHBondContact O-N 2.89Å
96M92.7Very high94.5Very high28 Ų2853.3 Ų53.314%0.13828%0.279CS..  trans-123.6155.6175.745.817352.700111.7K64 A66 L91 A94 V98 M121 L186K64-M96 HydrophobicContact CB-CB 4.49Å; K64-M96 WeakPolarHBondContact O-CB 3.26Å; A66-M96 HydrophobicContact CB-SD 4Å; L91-M96 HydrophobicContact CD2-SD 4.44Å; A94-M96 HydrophobicContact CB-CG 4.2Å; M96-V98 HydrophobicContact CG-CG2 3.92Å; M96-V98 PolarHBondContact O-N 2.92Å; M96-V98 HydrophobicContact SD-CG2 4.37Å; M96-M121 HydrophobicContact CE-CE 4.48Å; M96-L186 HydrophobicContact CE-CD2 3.86Å; M96-L186 HydrophobicContact SD-CD2 4.07Å
97E94.1Very high94.1Very high95 Ų9554 Ų5444%0.44429%0.288SS..EExtended strand (participates in β ladder)trans-80.9103.1175.3-173.7-179.6179.100108.9K64 K65 A66K64-E97 PolarHBondContact O-N 2.86Å; K65-E97 VanDerWaalsContact CE-OE2 3.24Å; K65-E97 WeakPolarHBondContact CE-OE2 3.27Å; K65-E97 HydrophobicContact CG-CB 4.32Å; K65-E97 IonicContact NZ-OE2 3.8Å; A66-E97 PolarHBondContact N-O 2.74Å
98V95.8Very high93.8Very high29 Ų2956 Ų5618%0.17630%0.297CS..EExtended strand (participates in β ladder)trans-100.4114.3-175.2-175.60000110A66 V68 L91 M96A66-V98 CarbonylContact O-C 3.43Å; A66-V98 WeakPolarHBondContact O-CA 3.41Å; V68-V98 HydrophobicContact CG2-CG1 3.73Å; L91-V98 HydrophobicContact CB-CG2 4.01Å; M96-V98 HydrophobicContact CG-CG2 3.92Å; M96-V98 PolarHBondContact O-N 2.92Å; M96-V98 HydrophobicContact SD-CG2 4.37Å
99T95.8Very high93.6Very high70 Ų7055.8 Ų55.843%0.42930%0.295SS..EExtended strand (participates in β ladder)trans-100.4111.5172.1-58.50000109.4A66 T67 V68 V101A66-T99 PolarHBondContact O-N 3.36Å; T67-T99 CarbonylContact C-O 3.58Å; T67-T99 WeakPolarHBondContact CA-O 2.92Å; V68-T99 PolarHBondContact N-O 3.03Å; T99-V101 HydrophobicContact CG2-CG2 4.33Å
100L96Very high93.3Very high62 Ų6255.7 Ų55.733%0.32529%0.29SS..EExtended strand (participates in β ladder)trans-93.3120.5178.5-179.764.8000110.8V68 L70 F83 K102V68-L100 HydrophobicContact CB-CD1 3.82Å; V68-L100 HydrophobicContact CG1-CD1 3.73Å; L70-L100 HydrophobicContact CB-CD1 3.9Å; L70-L100 HydrophobicContact CD2-CD1 4.26Å; F83-L100 HydrophobicContact CD1-CD1 4.45Å; F83-L100 HydrophobicContact CE1-CD1 3.72Å; F83-L100 HydrophobicContact CE1-CD2 4.07Å; F83-L100 HydrophobicContact CZ-CD1 4.07Å; L100-K102 HydrophobicContact CG-CG 4.48Å
101V95.5Very high93.1Very high40 Ų4061.5 Ų61.524%0.24232%0.315CS..EExtended strand (participates in β ladder)trans-114.8123173.5-169.50000109.6T67 V68 I69 L70 T99 L112T67-V101 HydrophobicContact CG2-CG2 4.31Å; V68-V101 PolarHBondContact O-N 3.34Å; I69-V101 WeakPolarHBondContact CA-O 3.36Å; L70-V101 PolarHBondContact N-O 3.29Å; T99-V101 HydrophobicContact CG2-CG2 4.33Å; V101-L112 HydrophobicContact CB-CD2 3.97Å; V101-L112 HydrophobicContact CG1-CD1 4.43Å; V101-L112 HydrophobicContact CG1-CD2 3.39Å; V101-L112 HydrophobicContact CG2-CD2 4.38Å
102K95.6Very high92.9Very high78 Ų7864.2 Ų64.234%0.33933%0.329SS..EExtended strand (participates in β ladder)trans-96.7135.3177.8-57.3-170.5-176.3-166.30109L70 N80 E84 L100L70-K102 HydrophobicContact CD2-CD 4.41Å; L70-K102 HydrophobicContact CD2-CG 4.31Å; L70-K102 WeakPolarHBondContact O-CA 3.25Å; N80-K102 PolarHBondContact OD1-NZ 2.85Å; E84-K102 IonicContact OE1-NZ 4Å; E84-K102 PolarHBondContact OE1-NZ 2.91Å; L100-K102 HydrophobicContact CG-CG 4.48Å
103T94.8Very high92.7Very high8 Ų858.4 Ų58.45%0.04930%0.302CS..  trans-90.1135.3173.762.90000109.6I69 L70 N71 P72 A109I69-T103 HydrophobicContact CG2-CG2 3.83Å; L70-T103 PolarHBondContact O-N 2.94Å; L70-T103 PolarHBondContact O-OG1 2.88Å; N71-T103 WeakPolarHBondContact CA-OG1 3.15Å; P72-T103 WeakPolarHBondContact CD-O 3.25Å; P72-T103 WeakPolarHBondContact CG-O 3.34Å; T103-A109 HydrophobicContact CG2-CB 3.89Å
104D92.1Very high92.3Very high130 Ų13059 Ų5970%0.69530%0.303SS*.  trans-92.6-35.1179.1-53-54.9000112Q108D104-Q108 VanDerWaalsContact CB-OE1 3.27Å; D104-Q108 PolarHBondContact OD2-NE2 3.07Å; D104-Q108 PolarHBondContact OD2-OE1 3.43Å
105Y90Very high91.9Very high128 Ų12865.5 Ų65.550%0.50234%0.335SS..SBendtrans-146.4166-177.566.4-89.2000113.1Q108Y105-Q108 HydrophobicContact CD1-CB 4.25Å; Y105-Q108 HydrophobicContact CD2-CB 4.25Å; Y105-Q108 HydrophobicContact CE1-CB 3.98Å; Y105-Q108 HydrophobicContact CE1-CG 4.04Å; Y105-Q108 HydrophobicContact CE2-CB 3.94Å; Y105-Q108 HydrophobicContact CG-CB 4.36Å; Y105-Q108 VanDerWaalsContact O-CB 3.26Å; Y105-Q108 WeakPolarHBondContact O-CB 3.33Å; Y105-Q108 PolarHBondContact O-N 3.01Å
106E85.8Confident91.8Very high147 Ų14764.6 Ų64.669%0.68732%0.32SS*.THydrogen-bonded Turntrans-62134.1180-170.2179.1160.800112.2Q108 E133E106-Q108 PolarHBondContact O-N 3.42Å; E106-E133 WeakPolarHBondContact CG-OE1 3.37Å
107G86.6Confident91.5Very high19 Ų1971 Ų7120%0.19635%0.35CS..THydrogen-bonded Turntrans77.4-1-176.600000114.7K111 E133G107-K111 PolarHBondContact O-N 3.29Å; G107-E133 WeakPolarHBondContact CA-OE2 3.41Å; G107-E133 PolarHBondContact N-OE1 3.1Å; G107-E133 PolarHBondContact N-OE2 3.02Å
108Q92.6Very high91.1Very high42 Ų4271.1 Ų71.120%0.19635%0.351CS..Hα-helixtrans-68.2-37171.1-172.7178.51.700111.4D104 Y105 E106 K110 K111 L112D104-Q108 VanDerWaalsContact CB-OE1 3.27Å; D104-Q108 PolarHBondContact OD2-NE2 3.07Å; D104-Q108 PolarHBondContact OD2-OE1 3.43Å; Y105-Q108 HydrophobicContact CD1-CB 4.25Å; Y105-Q108 HydrophobicContact CD2-CB 4.25Å; Y105-Q108 HydrophobicContact CE1-CB 3.98Å; Y105-Q108 HydrophobicContact CE1-CG 4.04Å; Y105-Q108 HydrophobicContact CE2-CB 3.94Å; Y105-Q108 HydrophobicContact CG-CB 4.36Å; Y105-Q108 VanDerWaalsContact O-CB 3.26Å; Y105-Q108 WeakPolarHBondContact O-CB 3.33Å; Y105-Q108 PolarHBondContact O-N 3.01Å; E106-Q108 PolarHBondContact O-N 3.42Å; Q108-K110 VanDerWaalsContact C-N 3.25Å; Q108-K110 PolarHBondContact O-N 2.77Å; Q108-K111 PolarHBondContact O-N 2.75Å; Q108-L112 WeakPolarHBondContact O-CB 3.05Å; Q108-L112 PolarHBondContact O-N 2.93Å
109A92.1Very high90.8Very high0 Ų070.6 Ų70.60%035%0.348CS..Hα-helixtrans-60-42.2178.300000110.5I69 T103 L112 M113 E133 V134I69-A109 HydrophobicContact CG2-CB 4.17Å; T103-A109 HydrophobicContact CG2-CB 3.89Å; A109-L112 PolarHBondContact O-N 3.16Å; A109-M113 WeakPolarHBondContact O-CB 3.22Å; A109-M113 VanDerWaalsContact O-CG 3.29Å; A109-M113 WeakPolarHBondContact O-CG 3.36Å; A109-M113 PolarHBondContact O-N 2.62Å; A109-E133 HydrophobicContact CB-CB 4.08Å; A109-E133 VanDerWaalsContact CB-OE2 3.3Å; A109-E133 WeakPolarHBondContact CB-OE2 3.4Å; A109-V134 HydrophobicContact CB-CG2 3.91Å
110K91.2Very high90.7Very high44 Ų4471.7 Ų71.719%0.19135%0.351CS..Hα-helixtrans-58.7-49.2176.2-178.2177.2179.4169.80113.1Q108 M113 E114 E133 T136 R140Q108-K110 VanDerWaalsContact C-N 3.25Å; Q108-K110 PolarHBondContact O-N 2.77Å; K110-M113 PolarHBondContact O-N 3.49Å; K110-E114 PolarHBondContact O-N 2.85Å; K110-E133 HydrophobicContact CB-CB 4.49Å; K110-T136 HydrophobicContact CD-CG2 4.21Å; K110-R140 VanDerWaalsContact NZ-NH2 3.19Å
111K91.6Very high90.6Very high124 Ų12469.5 Ų69.554%0.53934%0.339SS..Hα-helixtrans-65.9-40.8177.6-67.6-179.1-176.4-178.60112.3G107 Q108 M113 E114G107-K111 PolarHBondContact O-N 3.29Å; Q108-K111 PolarHBondContact O-N 2.75Å; K111-M113 VanDerWaalsContact C-N 3.26Å; K111-M113 PolarHBondContact O-N 3.29Å; K111-E114 PolarHBondContact O-N 2.85Å
112L92.3Very high90.6Very high58 Ų5867.8 Ų67.830%0.30433%0.329SS..Hα-helixtrans-60.5-41.9175.8-179.871.9000110.5I69 V101 Q108 A109 E114 L115 M116I69-L112 HydrophobicContact CD1-CD2 4.44Å; V101-L112 HydrophobicContact CB-CD2 3.97Å; V101-L112 HydrophobicContact CG1-CD1 4.43Å; V101-L112 HydrophobicContact CG1-CD2 3.39Å; V101-L112 HydrophobicContact CG2-CD2 4.38Å; Q108-L112 WeakPolarHBondContact O-CB 3.05Å; Q108-L112 PolarHBondContact O-N 2.93Å; A109-L112 PolarHBondContact O-N 3.16Å; L112-E114 VanDerWaalsContact C-N 3.27Å; L112-E114 PolarHBondContact O-N 3.22Å; L112-L115 PolarHBondContact O-N 2.8Å; L112-L115 VanDerWaalsContact O-N 3.13Å; L112-M116 PolarHBondContact O-N 3.35Å
113M91.8Very high90.7Very high1 Ų164.1 Ų64.11%0.00531%0.313CS..Hα-helixtrans-64.6-31179.9-78.3-47.5-37.200113.4I69 A109 K110 K111 L115 M116 L122 V134 L138 R141I69-M113 HydrophobicContact CD1-CG 4.06Å; I69-M113 HydrophobicContact CD1-SD 3.3Å; I69-M113 WeakPolarHBondContact CD1-SD 3.38Å; A109-M113 WeakPolarHBondContact O-CB 3.22Å; A109-M113 VanDerWaalsContact O-CG 3.29Å; A109-M113 WeakPolarHBondContact O-CG 3.36Å; A109-M113 PolarHBondContact O-N 2.62Å; K110-M113 PolarHBondContact O-N 3.49Å; K111-M113 VanDerWaalsContact C-N 3.26Å; K111-M113 PolarHBondContact O-N 3.29Å; M113-L115 VanDerWaalsContact C-N 3.26Å; M113-L115 PolarHBondContact O-N 2.8Å; M113-M116 HydrophobicContact CE-CB 3.9Å; M113-M116 HydrophobicContact CE-CG 4.25Å; M113-M116 HydrophobicContact CE-SD 3.41Å; M113-M116 WeakPolarHBondContact CE-SD 3.45Å; M113-M116 HydrophobicContact SD-SD 3.67Å; M113-M116 VanDerWaalsContact SD-SD 3.67Å; M113-L122 HydrophobicContact CE-CD2 4.17Å; M113-L122 HydrophobicContact SD-CD1 4.15Å; M113-L122 HydrophobicContact SD-CD2 4.12Å; M113-V134 HydrophobicContact CG-CB 4.32Å; M113-V134 HydrophobicContact CG-CG1 3.93Å; M113-V134 HydrophobicContact CG-CG2 4.42Å; M113-V134 HydrophobicContact SD-CG1 4.04Å; M113-L138 HydrophobicContact CE-CD1 4.47Å; M113-R141 WeakPolarHBondContact O-CD 3.25Å; M113-R141 PolarHBondContact O-NH1 2.82Å
114E87.3Confident90.8Very high83 Ų8363.7 Ų63.739%0.38831%0.31SS..Hα-helixtrans-66.4-29.1175.5-70.5173.2-174.100112.7K110 K111 L112 R141K110-E114 PolarHBondContact O-N 2.85Å; K111-E114 PolarHBondContact O-N 2.85Å; L112-E114 VanDerWaalsContact C-N 3.27Å; L112-E114 PolarHBondContact O-N 3.22Å; E114-R141 PolarHBondContact O-NH1 2.82Å
115L87.1Confident91Very high148 Ų14857.5 Ų57.578%0.77528%0.277SS*.Hα-helixtrans-99.7-10-176.6-60.5174.8000113.7L112 M113L112-L115 PolarHBondContact O-N 2.8Å; L112-L115 VanDerWaalsContact O-N 3.13Å; M113-L115 VanDerWaalsContact C-N 3.26Å; M113-L115 PolarHBondContact O-N 2.8Å
116M88.3Confident91.2Very high22 Ų2251.4 Ų51.411%0.10825%0.253CS..PPolyproline II helixtrans-65.4142.2-173.3-171.1179.7153.600112T67 L112 M113 T119 L122 R141T67-M116 HydrophobicContact CG2-CE 3.71Å; T67-M116 HydrophobicContact CG2-SD 4.05Å; T67-M116 VanDerWaalsContact OG1-CE 3.29Å; T67-M116 WeakPolarHBondContact OG1-CE 3.27Å; L112-M116 PolarHBondContact O-N 3.35Å; M113-M116 HydrophobicContact CE-CB 3.9Å; M113-M116 HydrophobicContact CE-CG 4.25Å; M113-M116 HydrophobicContact CE-SD 3.41Å; M113-M116 WeakPolarHBondContact CE-SD 3.45Å; M113-M116 HydrophobicContact SD-SD 3.67Å; M113-M116 VanDerWaalsContact SD-SD 3.67Å; M116-T119 HydrophobicContact CE-CG2 3.57Å; M116-T119 WeakPolarHBondContact CE-OG1 3.46Å; M116-L122 HydrophobicContact CE-CD1 4.15Å; M116-L122 HydrophobicContact SD-CD1 4.11Å; M116-R141 PolarHBondContact O-NH1 3.47Å; M116-R141 PolarHBondContact O-NH2 3.1Å
117E85.8Confident91.5Very high164 Ų16445 Ų4577%0.76623%0.226SC*.PPolyproline II helixtrans-77.3162.9172.3-64.5-174.817800111.8T119E117-T119 PolarHBondContact O-N 2.93Å
118Q84.4Confident91.6Very high96 Ų9644.3 Ų44.345%0.44922%0.218SC..PPolyproline II helixtrans-65.8127.3177.7-172.774.642.200110.1S146 F147 T150Q118-S146 PolarHBondContact OE1-OG 3.37Å; Q118-F147 HydrophobicContact CB-CZ 4.13Å; Q118-F147 VanDerWaalsContact OE1-CE2 3.25Å; Q118-T150 PolarHBondContact NE2-OG1 2.74Å
119T90.5Very high91.5Very high19 Ų1942.9 Ų42.912%0.11722%0.215CC..  trans-123.4164.8174.258.70000111.2T67 M116 E117 M121 T150T67-T119 WeakPolarHBondContact OG1-CG2 3.38Å; M116-T119 HydrophobicContact CE-CG2 3.57Å; M116-T119 WeakPolarHBondContact CE-OG1 3.46Å; E117-T119 PolarHBondContact O-N 2.93Å; T119-M121 VanDerWaalsContact C-N 3.34Å; T119-M121 PolarHBondContact OG1-O 2.75Å; T119-T150 WeakPolarHBondContact O-CG2 3.5Å
120D92.9Very high91.6Very high92 Ų9243.3 Ų43.349%0.49222%0.217SC..SBendtrans-75.5-29.4179.7-57.5-46000111.8K64 K65 P151K64-D120 WeakPolarHBondContact CA-OD2 3.14Å; K65-D120 PolarHBondContact N-OD2 2.85Å; K65-D120 PolarHBondContact O-N 3.38Å; D120-P151 WeakPolarHBondContact O-CD 3.48Å
121M93.9Very high91.7Very high17 Ų1741.2 Ų41.28%0.08421%0.208CC..EExtended strand (participates in β ladder)trans-146.8138-177.7-167.7-172.5-78.600111K65 A66 T67 M96 T119 I123 I185 F409K65-M121 PolarHBondContact O-N 2.83Å; K65-M121 VanDerWaalsContact O-N 3.16Å; A66-M121 WeakPolarHBondContact CA-O 3.34Å; A66-M121 HydrophobicContact CB-CB 4.33Å; T67-M121 PolarHBondContact N-O 3.23Å; M96-M121 HydrophobicContact CE-CE 4.48Å; T119-M121 VanDerWaalsContact C-N 3.34Å; T119-M121 PolarHBondContact OG1-O 2.75Å; M121-I123 HydrophobicContact CG-CG1 4.12Å; M121-I123 HydrophobicContact SD-CD1 3.79Å; M121-I123 HydrophobicContact SD-CG1 3.85Å; M121-I185 HydrophobicContact CE-CG2 3.77Å; M121-I185 HydrophobicContact SD-CG2 3.29Å; M121-I185 WeakPolarHBondContact SD-CG2 3.49Å; M121-F409 HydrophobicContact CE-CE1 3.96Å; M121-F409 HydrophobicContact CE-CE2 3.61Å; M121-F409 HydrophobicContact CE-CZ 3.21Å; M121-F409 HydrophobicContact CG-CE2 3.52Å; M121-F409 HydrophobicContact CG-CZ 3.92Å; M121-F409 HydrophobicContact SD-CE2 3.77Å; M121-F409 HydrophobicContact SD-CZ 4.03Å
122L96.3Very high91.9Very high4 Ų435.5 Ų35.52%0.02118%0.183CC..EExtended strand (participates in β ladder)trans-112.4128.8171.417962.9000108.8I69 M113 M116 V134 L138 P151 I152 G153I69-L122 HydrophobicContact CD1-CD1 3.94Å; I69-L122 HydrophobicContact CG1-CD1 4.25Å; M113-L122 HydrophobicContact CE-CD2 4.17Å; M113-L122 HydrophobicContact SD-CD1 4.15Å; M113-L122 HydrophobicContact SD-CD2 4.12Å; M116-L122 HydrophobicContact CE-CD1 4.15Å; M116-L122 HydrophobicContact SD-CD1 4.11Å; L122-V134 HydrophobicContact CD2-CG1 3.66Å; L122-V134 HydrophobicContact CG-CG1 4.48Å; L122-L138 HydrophobicContact CD2-CD1 3.95Å; L122-P151 PolarHBondContact N-O 2.95Å; L122-I152 HydrophobicContact CB-CG1 4.49Å; L122-I152 HydrophobicContact CD2-CG1 4.44Å; L122-I152 CarbonylContact O-C 3.59Å; L122-I152 VanDerWaalsContact O-CA 3.25Å; L122-I152 WeakPolarHBondContact O-CA 3.34Å; L122-G153 PolarHBondContact O-N 3.24Å
123I97.3Very high91.9Very high0 Ų033.4 Ų33.40%017%0.172CC..EExtended strand (participates in β ladder)trans-119.9123.5179.7-58.6176.2000108.4A66 T67 V68 I69 L91 M121 G153 I155 I185A66-I123 HydrophobicContact CB-CD1 4.2Å; T67-I123 PolarHBondContact O-N 2.81Å; V68-I123 CarbonylContact C-O 3.6Å; V68-I123 VanDerWaalsContact CA-O 3.27Å; V68-I123 WeakPolarHBondContact CA-O 3.25Å; V68-I123 HydrophobicContact CB-CB 4.48Å; V68-I123 HydrophobicContact CG1-CB 4.45Å; V68-I123 HydrophobicContact CG1-CG2 4.28Å; V68-I123 HydrophobicContact CG2-CB 4.06Å; V68-I123 HydrophobicContact CG2-CD1 4.19Å; V68-I123 HydrophobicContact CG2-CG2 4.41Å; I69-I123 PolarHBondContact N-O 2.79Å; L91-I123 HydrophobicContact CD1-CD1 4.21Å; L91-I123 HydrophobicContact CD2-CD1 3.86Å; M121-I123 HydrophobicContact CG-CG1 4.12Å; M121-I123 HydrophobicContact SD-CD1 3.79Å; M121-I123 HydrophobicContact SD-CG1 3.85Å; I123-G153 CarbonylContact C-O 3.52Å; I123-G153 WeakPolarHBondContact CA-O 3.3Å; I123-I155 HydrophobicContact CG2-CD1 3.51Å; I123-I155 HydrophobicContact CG2-CG1 3.84Å; I123-I185 HydrophobicContact CD1-CG2 4.06Å; I123-I185 HydrophobicContact CG1-CG2 4.33Å; I123-I185 HydrophobicContact CG2-CD1 4.21Å
124V96.9Very high92.1Very high0 Ų033.4 Ų33.40%017%0.172CC..EExtended strand (participates in β ladder)trans-103.4119.3175.2-174.20000109.3T130 L131 V134 I152 G153 I155V124-T130 HydrophobicContact CG1-CG2 4Å; V124-L131 HydrophobicContact CB-CD1 4.04Å; V124-L131 HydrophobicContact CG1-CB 4.32Å; V124-L131 HydrophobicContact CG1-CD1 4.28Å; V124-L131 HydrophobicContact CG2-CD1 3.87Å; V124-V134 HydrophobicContact CG1-CG2 4.34Å; V124-V134 HydrophobicContact CG2-CB 4.02Å; V124-V134 HydrophobicContact CG2-CG1 3.72Å; V124-V134 HydrophobicContact CG2-CG2 4.02Å; V124-I152 HydrophobicContact CG2-CG2 4.26Å; V124-G153 PolarHBondContact N-O 3.31Å; V124-I155 PolarHBondContact O-N 3.07Å
125A96.3Very high92.5Very high0 Ų029.5 Ų29.50%015%0.154CC..EExtended strand (participates in β ladder)trans-111.197.9178.600000109.5V68 I69 L70 N71 F83 I155 L157V68-A125 HydrophobicContact CG1-CB 4.18Å; I69-A125 PolarHBondContact O-N 2.77Å; L70-A125 WeakPolarHBondContact CA-O 3.23Å; L70-A125 HydrophobicContact CB-CB 4.43Å; L70-A125 HydrophobicContact CD1-CB 3.84Å; N71-A125 PolarHBondContact N-O 2.75Å; N71-A125 VanDerWaalsContact N-O 3.12Å; F83-A125 HydrophobicContact CD2-CB 3.83Å; F83-A125 HydrophobicContact CE2-CB 4.07Å; A125-I155 HydrophobicContact CB-CB 4.19Å; A125-L157 HydrophobicContact CB-CD1 3.77Å
126G93.7Very high92.8Very high0 Ų022.4 Ų22.40%012%0.117CC..EExtended strand (participates in β ladder)trans-179.8-154.8-170.200000113.6I155 L157 G158G126-I155 PolarHBondContact N-O 2.96Å; G126-L157 PolarHBondContact O-N 2.87Å; G126-G158 PolarHBondContact O-N 3.49Å
127G91.9Very high93.1Very high12 Ų1221.4 Ų21.412%0.12411%0.112CC..  trans-105.8-173.2167.800000112G129 T130 L131 N161G127-G129 VanDerWaalsContact C-N 3.35Å; G127-G129 PolarHBondContact O-N 2.78Å; G127-T130 PolarHBondContact O-N 2.72Å; G127-L131 PolarHBondContact O-N 2.63Å; G127-L131 VanDerWaalsContact O-N 3.16Å; G127-N161 WeakPolarHBondContact CA-OD1 3.28Å
128D90.3Very high93.4Very high4 Ų413.7 Ų13.72%0.0218%0.076CC..Hα-helixtrans-58.6-41.2-177.9-59.7-38.5000112.8T130 L131 Q132 N161 S162 I210 D388 N389D128-T130 PolarHBondContact O-N 2.82Å; D128-L131 CarbonylContact O-C 3.58Å; D128-L131 WeakPolarHBondContact O-CA 3.44Å; D128-L131 WeakPolarHBondContact O-CB 3.45Å; D128-L131 PolarHBondContact O-N 2.72Å; D128-L131 VanDerWaalsContact O-N 3.1Å; D128-Q132 WeakPolarHBondContact O-CB 3.46Å; D128-Q132 PolarHBondContact O-N 3Å; D128-N161 WeakPolarHBondContact OD2-CA 3.5Å; D128-S162 PolarHBondContact OD1-N 3.42Å; D128-S162 PolarHBondContact OD2-N 2.99Å; D128-I210 HydrophobicContact CB-CD1 4.39Å; D128-D388 WeakPolarHBondContact CB-O 3.23Å; D128-N389 PolarHBondContact OD2-ND2 3.18Å
129G90.4Very high93.8Very high12 Ų129.6 Ų9.612%0.1246%0.057CC..Hα-helixtrans-61.2-44.517700000113.7G127 L131 Q132 E133 E390G127-G129 VanDerWaalsContact C-N 3.35Å; G127-G129 PolarHBondContact O-N 2.78Å; G129-L131 PolarHBondContact O-N 2.98Å; G129-Q132 WeakPolarHBondContact O-CB 3.21Å; G129-Q132 PolarHBondContact O-N 2.82Å; G129-E133 PolarHBondContact O-N 2.8Å; G129-E390 WeakPolarHBondContact CA-OE1 3.45Å; G129-E390 VanDerWaalsContact O-OE1 3.11Å
130T93.3Very high93.9Very high9 Ų911.1 Ų11.16%0.0556%0.06CC..Hα-helixtrans-61.3-35.7174.5-53.10000111.9N71 V124 G127 D128 V134N71-T130 HydrophobicContact CB-CG2 3.81Å; N71-T130 WeakPolarHBondContact CB-OG1 3.24Å; N71-T130 PolarHBondContact ND2-OG1 3.16Å; V124-T130 HydrophobicContact CG1-CG2 4Å; G127-T130 PolarHBondContact O-N 2.72Å; D128-T130 PolarHBondContact O-N 2.82Å; T130-V134 VanDerWaalsContact O-CG2 3.29Å; T130-V134 WeakPolarHBondContact O-CG2 3.45Å; T130-V134 PolarHBondContact O-N 3.27Å
131L94.3Very high93.7Very high1 Ų18.1 Ų8.11%0.0054%0.042CC..Hα-helixtrans-68.3-42.2174.6-178.759000111.6V124 G127 D128 G129 V134 I135 I152 F154 L163 L209 F408V124-L131 HydrophobicContact CB-CD1 4.04Å; V124-L131 HydrophobicContact CG1-CB 4.32Å; V124-L131 HydrophobicContact CG1-CD1 4.28Å; V124-L131 HydrophobicContact CG2-CD1 3.87Å; G127-L131 PolarHBondContact O-N 2.63Å; G127-L131 VanDerWaalsContact O-N 3.16Å; D128-L131 CarbonylContact O-C 3.58Å; D128-L131 WeakPolarHBondContact O-CA 3.44Å; D128-L131 WeakPolarHBondContact O-CB 3.45Å; D128-L131 PolarHBondContact O-N 2.72Å; D128-L131 VanDerWaalsContact O-N 3.1Å; G129-L131 PolarHBondContact O-N 2.98Å; L131-V134 PolarHBondContact O-N 3.46Å; L131-I135 HydrophobicContact CD1-CD1 3.85Å; L131-I135 HydrophobicContact CD1-CG1 4.24Å; L131-I135 HydrophobicContact CG-CD1 3.82Å; L131-I135 WeakPolarHBondContact O-CB 3.4Å; L131-I135 WeakPolarHBondContact O-CD1 3.2Å; L131-I135 VanDerWaalsContact O-CG1 3.24Å; L131-I135 WeakPolarHBondContact O-CG1 3.31Å; L131-I135 PolarHBondContact O-N 3.4Å; L131-I152 HydrophobicContact CD1-CG2 4.49Å; L131-F154 HydrophobicContact CB-CD2 4.49Å; L131-F154 HydrophobicContact CB-CE2 4.3Å; L131-F154 HydrophobicContact CD2-CD1 4.44Å; L131-F154 HydrophobicContact CD2-CD2 3.89Å; L131-F154 HydrophobicContact CD2-CE2 4.11Å; L131-F154 HydrophobicContact CD2-CG 4.07Å; L131-F154 HydrophobicContact CD2-CZ 4.47Å; L131-L163 HydrophobicContact CD2-CD1 3.4Å; L131-L163 VanDerWaalsContact CD2-CD1 3.4Å; L131-L163 HydrophobicContact CG-CD1 4.48Å; L131-L209 HydrophobicContact CD2-CD1 3.9Å; L131-L209 HydrophobicContact CG-CD1 4.16Å; L131-F408 HydrophobicContact CD1-CE1 3.93Å; L131-F408 HydrophobicContact CD1-CZ 4.04Å; L131-F408 HydrophobicContact CD2-CE1 4.18Å
132Q94.1Very high93.3Very high3 Ų312.5 Ų12.51%0.0148%0.081CC..Hα-helixtrans-62.6-42.4176.2-173.3-117.8-54.500112.2D128 G129 V134 I135 T136 F207 D388 E390 Y392D128-Q132 WeakPolarHBondContact O-CB 3.46Å; D128-Q132 PolarHBondContact O-N 3Å; G129-Q132 WeakPolarHBondContact O-CB 3.21Å; G129-Q132 PolarHBondContact O-N 2.82Å; Q132-V134 PolarHBondContact O-N 3.37Å; Q132-I135 PolarHBondContact O-N 2.98Å; Q132-T136 PolarHBondContact NE2-OG1 2.82Å; Q132-T136 WeakPolarHBondContact O-CB 3.39Å; Q132-T136 PolarHBondContact O-N 2.89Å; Q132-T136 PolarHBondContact O-OG1 3.12Å; Q132-F207 VanDerWaalsContact CG-O 3.27Å; Q132-F207 WeakPolarHBondContact CG-O 3.35Å; Q132-D388 HydrophobicContact CB-CB 4.13Å; Q132-D388 HydrophobicContact CG-CB 4.19Å; Q132-E390 VanDerWaalsContact OE1-CD 3.28Å; Q132-E390 PolarHBondContact OE1-OE2 3.38Å; Q132-Y392 PolarHBondContact NE2-OH 3.35Å; Q132-Y392 PolarHBondContact OE1-OH 3.16Å
133E94Very high92.8Very high15 Ų1515.6 Ų15.67%0.0710%0.098CC..Hα-helixtrans-59.3-47174.3-74.2-170.7-16300112.2E106 G107 A109 K110 G129 T136 G137E106-E133 WeakPolarHBondContact CG-OE1 3.37Å; G107-E133 WeakPolarHBondContact CA-OE2 3.41Å; G107-E133 PolarHBondContact N-OE1 3.1Å; G107-E133 PolarHBondContact N-OE2 3.02Å; A109-E133 HydrophobicContact CB-CB 4.08Å; A109-E133 VanDerWaalsContact CB-OE2 3.3Å; A109-E133 WeakPolarHBondContact CB-OE2 3.4Å; K110-E133 HydrophobicContact CB-CB 4.49Å; G129-E133 PolarHBondContact O-N 2.8Å; E133-T136 PolarHBondContact O-N 2.87Å; E133-G137 PolarHBondContact O-N 2.82Å
134V95.1Very high92.3Very high0 Ų018 Ų180%011%0.109CC..Hα-helixtrans-63.1-46.8-179.4167.90000110.7I69 A109 M113 L122 V124 T130 L131 Q132 T136 G137 L138I69-V134 HydrophobicContact CB-CG2 4.36Å; I69-V134 HydrophobicContact CD1-CG1 4.28Å; I69-V134 HydrophobicContact CD1-CG2 3.74Å; I69-V134 HydrophobicContact CG2-CG2 4.03Å; A109-V134 HydrophobicContact CB-CG2 3.91Å; M113-V134 HydrophobicContact CG-CB 4.32Å; M113-V134 HydrophobicContact CG-CG1 3.93Å; M113-V134 HydrophobicContact CG-CG2 4.42Å; M113-V134 HydrophobicContact SD-CG1 4.04Å; L122-V134 HydrophobicContact CD2-CG1 3.66Å; L122-V134 HydrophobicContact CG-CG1 4.48Å; V124-V134 HydrophobicContact CG1-CG2 4.34Å; V124-V134 HydrophobicContact CG2-CB 4.02Å; V124-V134 HydrophobicContact CG2-CG1 3.72Å; V124-V134 HydrophobicContact CG2-CG2 4.02Å; T130-V134 VanDerWaalsContact O-CG2 3.29Å; T130-V134 WeakPolarHBondContact O-CG2 3.45Å; T130-V134 PolarHBondContact O-N 3.27Å; L131-V134 PolarHBondContact O-N 3.46Å; Q132-V134 PolarHBondContact O-N 3.37Å; V134-T136 VanDerWaalsContact C-N 3.34Å; V134-G137 PolarHBondContact O-N 3.01Å; V134-L138 WeakPolarHBondContact O-CB 3.44Å; V134-L138 PolarHBondContact O-N 3.41Å
135I95Very high91.7Very high1 Ų123.1 Ų23.11%0.00513%0.133CC..Hα-helixtrans-64.8-42.4178.9-69.3168.4000110.9L131 Q132 G137 L138 L139 V195 F207 L209 L406 F408L131-I135 HydrophobicContact CD1-CD1 3.85Å; L131-I135 HydrophobicContact CD1-CG1 4.24Å; L131-I135 HydrophobicContact CG-CD1 3.82Å; L131-I135 WeakPolarHBondContact O-CB 3.4Å; L131-I135 WeakPolarHBondContact O-CD1 3.2Å; L131-I135 VanDerWaalsContact O-CG1 3.24Å; L131-I135 WeakPolarHBondContact O-CG1 3.31Å; L131-I135 PolarHBondContact O-N 3.4Å; Q132-I135 PolarHBondContact O-N 2.98Å; I135-G137 VanDerWaalsContact C-N 3.33Å; I135-G137 PolarHBondContact O-N 3.46Å; I135-L138 PolarHBondContact O-N 3.07Å; I135-L139 HydrophobicContact CG2-CD1 3.75Å; I135-L139 HydrophobicContact CG2-CG 4.34Å; I135-L139 WeakPolarHBondContact O-CB 3.34Å; I135-L139 PolarHBondContact O-N 2.98Å; I135-V195 HydrophobicContact CG2-CG1 4.4Å; I135-F207 HydrophobicContact CG2-CB 4.01Å; I135-L209 HydrophobicContact CD1-CD1 3.11Å; I135-L209 HydrophobicContact CD1-CD2 4.1Å; I135-L209 HydrophobicContact CD1-CG 3.41Å; I135-L209 VanDerWaalsContact CD1-CG 3.41Å; I135-L406 HydrophobicContact CB-CD1 4.42Å; I135-L406 HydrophobicContact CD1-CD1 4.12Å; I135-L406 HydrophobicContact CG1-CD1 3.96Å; I135-L406 HydrophobicContact CG2-CD1 3.68Å; I135-F408 HydrophobicContact CD1-CZ 3.96Å
136T94.6Very high91.1Very high0 Ų025.7 Ų25.70%015%0.151CC..Hα-helixtrans-61.7-44.2177.2-63.20000110.7K110 Q132 E133 V134 R140 F207K110-T136 HydrophobicContact CD-CG2 4.21Å; Q132-T136 PolarHBondContact NE2-OG1 2.82Å; Q132-T136 WeakPolarHBondContact O-CB 3.39Å; Q132-T136 PolarHBondContact O-N 2.89Å; Q132-T136 PolarHBondContact O-OG1 3.12Å; E133-T136 PolarHBondContact O-N 2.87Å; V134-T136 VanDerWaalsContact C-N 3.34Å; T136-R140 HydrophobicContact CG2-CG 4.43Å; T136-R140 WeakPolarHBondContact O-CB 3.31Å; T136-R140 WeakPolarHBondContact O-CG 3.27Å; T136-R140 PolarHBondContact O-N 3.18Å; T136-R140 VanDerWaalsContact O-N 3.13Å; T136-F207 HydrophobicContact CG2-CD2 4.35Å; T136-F207 PolarHBondContact OG1-N 2.86Å; T136-F207 PolarHBondContact OG1-O 2.84Å
137G93.3Very high90.7Very high0 Ų026 Ų260%015%0.152CC..Hα-helixtrans-63.6-40.8175.500000112.7E133 V134 I135 R141E133-G137 PolarHBondContact O-N 2.82Å; V134-G137 PolarHBondContact O-N 3.01Å; I135-G137 VanDerWaalsContact C-N 3.33Å; I135-G137 PolarHBondContact O-N 3.46Å; G137-R141 WeakPolarHBondContact O-CG 3.36Å
138L93.4Very high90.4Very high2 Ų225.8 Ų25.81%0.0115%0.149CC..Hα-helixtrans-66.4-45179.8-174.3149.9000112.4M113 L122 V134 I135 F147 I152 L406M113-L138 HydrophobicContact CE-CD1 4.47Å; L122-L138 HydrophobicContact CD2-CD1 3.95Å; V134-L138 WeakPolarHBondContact O-CB 3.44Å; V134-L138 PolarHBondContact O-N 3.41Å; I135-L138 PolarHBondContact O-N 3.07Å; L138-F147 HydrophobicContact CD1-CB 4.11Å; L138-F147 HydrophobicContact CD1-CD1 4.5Å; L138-F147 HydrophobicContact CD2-CB 3.9Å; L138-F147 HydrophobicContact CG-CB 3.84Å; L138-I152 HydrophobicContact CD1-CD1 4.38Å; L138-L406 HydrophobicContact CD2-CD2 4.02Å
139L93.4Very high90.3Very high10 Ų1030.2 Ų30.25%0.05217%0.168CC..Hα-helixtrans-81.8-14.4-176.2-68.6177.5000114I135 R141 H144 V195 F207 K405 L406I135-L139 HydrophobicContact CG2-CD1 3.75Å; I135-L139 HydrophobicContact CG2-CG 4.34Å; I135-L139 WeakPolarHBondContact O-CB 3.34Å; I135-L139 PolarHBondContact O-N 2.98Å; L139-R141 VanDerWaalsContact C-N 3.27Å; L139-H144 HydrophobicContact CD2-CB 4.49Å; L139-V195 HydrophobicContact CD1-CB 4.4Å; L139-V195 HydrophobicContact CD1-CG1 3.78Å; L139-V195 HydrophobicContact CD1-CG2 4.31Å; L139-F207 HydrophobicContact CB-CD1 4.11Å; L139-F207 HydrophobicContact CB-CD2 3.65Å; L139-F207 HydrophobicContact CB-CE1 4.02Å; L139-F207 HydrophobicContact CB-CE2 3.55Å; L139-F207 HydrophobicContact CB-CG 3.91Å; L139-F207 HydrophobicContact CB-CZ 3.73Å; L139-F207 HydrophobicContact CD1-CB 3.99Å; L139-F207 HydrophobicContact CD1-CD1 3.59Å; L139-F207 HydrophobicContact CD1-CD2 4.33Å; L139-F207 HydrophobicContact CD1-CE1 4.08Å; L139-F207 HydrophobicContact CD1-CG 3.71Å; L139-F207 HydrophobicContact CG-CG 4.47Å; L139-K405 HydrophobicContact CD2-CG 4.01Å; L139-L406 HydrophobicContact CD1-CD1 4.41Å; L139-L406 HydrophobicContact CD2-CD2 4.13Å
140R91.7Very high90.3Very high51 Ų5130.1 Ų30.119%0.19217%0.165CC..THydrogen-bonded Turntrans-76.2-13.6172.2-79.8177.7-175.6-155.92.4113.7K110 T136 Q204 P205 F207K110-R140 VanDerWaalsContact NZ-NH2 3.19Å; T136-R140 HydrophobicContact CG2-CG 4.43Å; T136-R140 WeakPolarHBondContact O-CB 3.31Å; T136-R140 WeakPolarHBondContact O-CG 3.27Å; T136-R140 PolarHBondContact O-N 3.18Å; T136-R140 VanDerWaalsContact O-N 3.13Å; R140-Q204 VanDerWaalsContact CZ-CB 3.48Å; R140-Q204 VanDerWaalsContact NH1-CB 3.26Å; R140-Q204 PolarHBondContact NH2-O 3.47Å; R140-P205 PolarHBondContact NE-O 2.79Å; R140-P205 VanDerWaalsContact NH2-C 3.34Å; R140-P205 PolarHBondContact NH2-O 3.34Å; R140-F207 HydrophobicContact CG-CE2 4.08Å
141R89.5Confident90.4Very high30 Ų3031 Ų3111%0.11317%0.17CC..SBendtrans-71.6152.1-177.2-60171.762.2133.3-2.3112.3M113 E114 M116 G137 L139 D143 H144 F147M113-R141 WeakPolarHBondContact O-CD 3.25Å; M113-R141 PolarHBondContact O-NH1 2.82Å; E114-R141 PolarHBondContact O-NH1 2.82Å; M116-R141 PolarHBondContact O-NH1 3.47Å; M116-R141 PolarHBondContact O-NH2 3.1Å; G137-R141 WeakPolarHBondContact O-CG 3.36Å; L139-R141 VanDerWaalsContact C-N 3.27Å; R141-D143 VanDerWaalsContact C-N 3.27Å; R141-D143 WeakPolarHBondContact CB-OD1 3.28Å; R141-D143 IonicContact CZ-OD1 3.77Å; R141-D143 IonicContact CZ-OD2 2.73Å; R141-D143 IonicContact NE-OD1 3.79Å; R141-D143 PolarHBondContact NE-OD1 2.85Å; R141-D143 IonicContact NE-OD2 3.86Å; R141-D143 IonicContact NH2-OD1 2.93Å; R141-D143 PolarHBondContact NH2-OD1 2.85Å; R141-D143 IonicContact NH2-OD2 3.71Å; R141-D143 PolarHBondContact NH2-OD2 3.21Å; R141-D143 PolarHBondContact O-N 2.84Å; R141-H144 WeakPolarHBondContact O-CB 3.48Å; R141-H144 PolarHBondContact O-N 3.23Å; R141-H144 PolarHBondContact O-ND1 3.13Å; R141-F147 VanDerWaalsContact CZ-CE2 3.48Å
142A85.2Confident90.6Very high108 Ų10831 Ų3189%0.89317%0.17SC*.THydrogen-bonded Turntrans-65.8-31.3173.300000112.4
143D85.6Confident90.7Very high69 Ų6930.8 Ų30.837%0.36917%0.17SC..THydrogen-bonded Turntrans-95.720.5179.360.4-13.6000113.4R141 E145 S146 F147R141-D143 VanDerWaalsContact C-N 3.27Å; R141-D143 WeakPolarHBondContact CB-OD1 3.28Å; R141-D143 IonicContact CZ-OD1 3.77Å; R141-D143 IonicContact CZ-OD2 2.73Å; R141-D143 IonicContact NE-OD1 3.79Å; R141-D143 PolarHBondContact NE-OD1 2.85Å; R141-D143 IonicContact NE-OD2 3.86Å; R141-D143 IonicContact NH2-OD1 2.93Å; R141-D143 PolarHBondContact NH2-OD1 2.85Å; R141-D143 IonicContact NH2-OD2 3.71Å; R141-D143 PolarHBondContact NH2-OD2 3.21Å; R141-D143 PolarHBondContact O-N 2.84Å; D143-E145 PolarHBondContact O-N 2.88Å; D143-S146 PolarHBondContact O-N 3.25Å; D143-S146 PolarHBondContact O-OG 2.87Å; D143-F147 WeakPolarHBondContact OD2-CE2 3.47Å
144H85.5Confident90.8Very high52 Ų5230.1 Ų30.124%0.24117%0.166CC..Hα-helixtrans-55.3-27.5-175.866.1-86.7000114.2L139 R141 S146 F147 S148L139-H144 HydrophobicContact CD2-CB 4.49Å; R141-H144 WeakPolarHBondContact O-CB 3.48Å; R141-H144 PolarHBondContact O-N 3.23Å; R141-H144 PolarHBondContact O-ND1 3.13Å; H144-S146 VanDerWaalsContact C-N 3.32Å; H144-S146 PolarHBondContact O-N 3.09Å; H144-F147 PolarHBondContact O-N 2.9Å; H144-S148 WeakPolarHBondContact O-CB 3.36Å; H144-S148 PolarHBondContact O-N 3.49Å; H144-S148 PolarHBondContact O-OG 2.93Å
145E85.4Confident90.9Very high106 Ų10630.1 Ų30.150%0.49517%0.166SC..Hα-helixtrans-64-30.9177.9-66.2-62.5170.400114D143 K405D143-E145 PolarHBondContact O-N 2.88Å; E145-K405 IonicContact OE1-NZ 3.23Å; E145-K405 PolarHBondContact OE1-NZ 3.34Å; E145-K405 IonicContact OE2-NZ 3.72Å; E145-K405 PolarHBondContact OE2-NZ 3.12Å
146S82.9Confident90.9Very high54 Ų5430.1 Ų30.138%0.37817%0.167SC..Hα-helixtrans-76.2-41.3173.763.10000110.7Q118 D143 H144 K149Q118-S146 PolarHBondContact OE1-OG 3.37Å; D143-S146 PolarHBondContact O-N 3.25Å; D143-S146 PolarHBondContact O-OG 2.87Å; H144-S146 VanDerWaalsContact C-N 3.32Å; H144-S146 PolarHBondContact O-N 3.09Å; S146-K149 PolarHBondContact O-N 3.31Å
147F86.3Confident90.8Very high7 Ų730.1 Ų30.13%0.03117%0.167CC..Hα-helixtrans-70.4-34.2-178.5-81.1-89.8000113.2Q118 L138 R141 D143 H144 K149 T150Q118-F147 HydrophobicContact CB-CZ 4.13Å; Q118-F147 VanDerWaalsContact OE1-CE2 3.25Å; L138-F147 HydrophobicContact CD1-CB 4.11Å; L138-F147 HydrophobicContact CD1-CD1 4.5Å; L138-F147 HydrophobicContact CD2-CB 3.9Å; L138-F147 HydrophobicContact CG-CB 3.84Å; R141-F147 VanDerWaalsContact CZ-CE2 3.48Å; D143-F147 WeakPolarHBondContact OD2-CE2 3.47Å; H144-F147 PolarHBondContact O-N 2.9Å; F147-K149 PolarHBondContact O-N 3.32Å; F147-K149 VanDerWaalsContact O-N 3.07Å; F147-T150 WeakPolarHBondContact O-CB 3.25Å; F147-T150 PolarHBondContact O-N 3.14Å; F147-T150 PolarHBondContact O-OG1 3.2Å
148S85.2Confident90.4Very high8 Ų830.7 Ų30.76%0.05617%0.172CC..THydrogen-bonded Turntrans-54.9-25.3173.6-87.90000113.7H144 K405H144-S148 WeakPolarHBondContact O-CB 3.36Å; H144-S148 PolarHBondContact O-N 3.49Å; H144-S148 PolarHBondContact O-OG 2.93Å; S148-K405 WeakPolarHBondContact CB-O 3.37Å; S148-K405 WeakPolarHBondContact OG-CE 3.26Å; S148-K405 PolarHBondContact OG-O 2.91Å; S148-K405 VanDerWaalsContact OG-O 3.06Å
149K87.6Confident89.8Confident97 Ų9734.9 Ų34.942%0.42220%0.202SC..THydrogen-bonded Turntrans-82.8-16.9177.5-57.4-172.9-175.7-157.10113.2S146 F147 E269S146-K149 PolarHBondContact O-N 3.31Å; F147-K149 PolarHBondContact O-N 3.32Å; F147-K149 VanDerWaalsContact O-N 3.07Å; K149-E269 IonicContact NZ-OE1 3.23Å; K149-E269 IonicContact NZ-OE2 3.16Å; K149-E269 PolarHBondContact NZ-OE2 3.08Å
150T92Very high89.2Confident9 Ų938.2 Ų38.26%0.05522%0.217CC..SBendtrans-72.9123178.2-43.70000108.4Q118 T119 F147Q118-T150 PolarHBondContact NE2-OG1 2.74Å; T119-T150 WeakPolarHBondContact O-CG2 3.5Å; F147-T150 WeakPolarHBondContact O-CB 3.25Å; F147-T150 PolarHBondContact O-N 3.14Å; F147-T150 PolarHBondContact O-OG1 3.2Å
151P95.4Very high89Confident27 Ų2736.6 Ų36.618%0.17521%0.212CC..EExtended strand (participates in β ladder)trans-71.4136.7-179.832.4-37.9000111.2D120 L122 T190 R407 F409D120-P151 WeakPolarHBondContact O-CD 3.48Å; L122-P151 PolarHBondContact N-O 2.95Å; P151-T190 HydrophobicContact CB-CG2 3.85Å; P151-R407 CarbonylContact C-O 3.56Å; P151-R407 WeakPolarHBondContact CA-O 3.37Å; P151-F409 HydrophobicContact CB-CD2 4.37Å; P151-F409 HydrophobicContact CB-CE1 4.06Å; P151-F409 HydrophobicContact CB-CE2 3.57Å; P151-F409 HydrophobicContact CB-CZ 3.38Å; P151-F409 HydrophobicContact CG-CE1 4.3Å; P151-F409 HydrophobicContact CG-CE2 3.89Å; P151-F409 HydrophobicContact CG-CZ 3.42Å; P151-F409 VanDerWaalsContact CG-CZ 3.42Å
152I96.9Very high88.9Confident1 Ų135.9 Ų35.91%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-105.6123.7-176.8-54.6177.4000109.5L122 V124 L131 L138 L406 R407 F408 F409L122-I152 HydrophobicContact CB-CG1 4.49Å; L122-I152 HydrophobicContact CD2-CG1 4.44Å; L122-I152 CarbonylContact O-C 3.59Å; L122-I152 VanDerWaalsContact O-CA 3.25Å; L122-I152 WeakPolarHBondContact O-CA 3.34Å; V124-I152 HydrophobicContact CG2-CG2 4.26Å; L131-I152 HydrophobicContact CD1-CG2 4.49Å; L138-I152 HydrophobicContact CD1-CD1 4.38Å; I152-L406 HydrophobicContact CD1-CD1 4.28Å; I152-L406 HydrophobicContact CD1-CD2 4.25Å; I152-R407 PolarHBondContact N-O 3.04Å; I152-F408 HydrophobicContact CB-CD1 4.23Å; I152-F408 HydrophobicContact CB-CD2 4.43Å; I152-F408 HydrophobicContact CB-CE1 3.97Å; I152-F408 HydrophobicContact CB-CE2 4.19Å; I152-F408 HydrophobicContact CB-CG 4.45Å; I152-F408 HydrophobicContact CB-CZ 3.93Å; I152-F408 HydrophobicContact CD1-CE2 4.13Å; I152-F408 HydrophobicContact CD1-CZ 4.12Å; I152-F408 HydrophobicContact CG2-CD1 4.29Å; I152-F408 HydrophobicContact CG2-CE1 3.69Å; I152-F408 HydrophobicContact CG2-CZ 3.83Å; I152-F408 CarbonylContact O-C 3.57Å; I152-F408 VanDerWaalsContact O-CA 3.24Å; I152-F408 WeakPolarHBondContact O-CA 3.37Å; I152-F409 PolarHBondContact O-N 3.11Å
153G96.6Very high89.2Confident0 Ų030.9 Ų30.90%017%0.17CC..EExtended strand (participates in β ladder)trans-93.2136171.200000110.6L122 I123 V124L122-G153 PolarHBondContact O-N 3.24Å; I123-G153 CarbonylContact C-O 3.52Å; I123-G153 WeakPolarHBondContact CA-O 3.3Å; V124-G153 PolarHBondContact N-O 3.31Å
154F96.8Very high89.4Confident0 Ų027.7 Ų27.70%015%0.153CC..EExtended strand (participates in β ladder)trans-114.1120.3173.7179.7-129.5000110.1L131 P156 N161 L163 L167 H168L131-F154 HydrophobicContact CB-CD2 4.49Å; L131-F154 HydrophobicContact CB-CE2 4.3Å; L131-F154 HydrophobicContact CD2-CD1 4.44Å; L131-F154 HydrophobicContact CD2-CD2 3.89Å; L131-F154 HydrophobicContact CD2-CE2 4.11Å; L131-F154 HydrophobicContact CD2-CG 4.07Å; L131-F154 HydrophobicContact CD2-CZ 4.47Å; F154-P156 HydrophobicContact CE1-CB 4.16Å; F154-P156 HydrophobicContact CZ-CB 4.44Å; F154-N161 HydrophobicContact CE1-CB 3.92Å; F154-N161 HydrophobicContact CZ-CB 3.98Å; F154-L163 HydrophobicContact CE1-CB 4.5Å; F154-L167 HydrophobicContact CB-CD1 4.37Å; F154-H168 PolarHBondContact O-NE2 3.38Å
155I96.7Very high89.6Confident0 Ų028.3 Ų28.30%016%0.156CC..EExtended strand (participates in β ladder)trans-104.1108.4173.6-59.6176.8000107.8F83 A87 I123 V124 A125 G126 L157 I178 T182 I185F83-I155 HydrophobicContact CE2-CD1 4.01Å; A87-I155 HydrophobicContact CB-CD1 4.12Å; A87-I155 HydrophobicContact CB-CG2 4.45Å; I123-I155 HydrophobicContact CG2-CD1 3.51Å; I123-I155 HydrophobicContact CG2-CG1 3.84Å; V124-I155 PolarHBondContact O-N 3.07Å; A125-I155 HydrophobicContact CB-CB 4.19Å; G126-I155 PolarHBondContact N-O 2.96Å; I155-L157 HydrophobicContact CG2-CD2 4.09Å; I155-L157 HydrophobicContact CG2-CG 4.13Å; I155-L157 PolarHBondContact O-N 2.8Å; I155-I178 HydrophobicContact CG2-CG2 3.88Å; I155-T182 HydrophobicContact CD1-CG2 4.41Å; I155-I185 HydrophobicContact CD1-CD1 4.39Å; I155-I185 HydrophobicContact CG1-CD1 3.83Å
156P94.4Very high89.8Confident2 Ų223.6 Ų23.61%0.01314%0.135CC..EExtended strand (participates in β ladder)trans-75.493.1-172.630.3-35.9000110.9F154 N161 S164 H177 A181F154-P156 HydrophobicContact CE1-CB 4.16Å; F154-P156 HydrophobicContact CZ-CB 4.44Å; P156-N161 HydrophobicContact CB-CB 4.09Å; P156-N161 WeakPolarHBondContact CB-ND2 3.4Å; P156-S164 WeakPolarHBondContact CB-OG 3.41Å; P156-S164 WeakPolarHBondContact CG-OG 3.39Å; P156-H177 WeakPolarHBondContact CG-CE1 3.24Å; P156-H177 VanDerWaalsContact CG-ND1 3.26Å; P156-H177 WeakPolarHBondContact CG-ND1 3.44Å; P156-A181 HydrophobicContact CG-CB 4.23Å
157L93.3Very high90.2Very high0 Ų021 Ų210%012%0.117CC..  trans-100.6-12.6176-61.4-178.8000112.8L70 C75 A79 L82 F83 A125 G126 I155 I178L70-L157 HydrophobicContact CD1-CD1 3.62Å; C75-L157 WeakPolarHBondContact CB-O 3.48Å; A79-L157 HydrophobicContact CB-CB 4.07Å; A79-L157 HydrophobicContact CB-CD1 4.13Å; L82-L157 HydrophobicContact CB-CD2 4.05Å; F83-L157 HydrophobicContact CB-CD1 3.86Å; F83-L157 HydrophobicContact CD2-CD1 4.35Å; A125-L157 HydrophobicContact CB-CD1 3.77Å; G126-L157 PolarHBondContact O-N 2.87Å; I155-L157 HydrophobicContact CG2-CD2 4.09Å; I155-L157 HydrophobicContact CG2-CG 4.13Å; I155-L157 PolarHBondContact O-N 2.8Å; L157-I178 HydrophobicContact CD2-CD1 3.6Å; L157-I178 HydrophobicContact CD2-CG1 3.97Å; L157-I178 HydrophobicContact CD2-CG2 4.29Å
158G85.6Confident90.5Very high11 Ų1120.7 Ų20.711%0.11312%0.115CC..SBendtrans-67165.7176.600000113.6G126 H160 N161G126-G158 PolarHBondContact O-N 3.49Å; G158-H160 VanDerWaalsContact C-N 3.34Å; G158-N161 VanDerWaalsContact CA-OD1 3.24Å; G158-N161 WeakPolarHBondContact CA-OD1 3.44Å; G158-N161 PolarHBondContact N-OD1 2.96Å; G158-N161 PolarHBondContact O-ND2 3.33Å
159S80.8Confident90.7Very high90 Ų9022.2 Ų22.263%0.62912%0.122SC*.SBendtrans-73.7-28176.9-58.20000113
160H80.1Confident90.4Very high81 Ų8122 Ų2238%0.37513%0.125SC..  trans-144.1130.8174.3-15873.3000105.9G158 A356G158-H160 VanDerWaalsContact C-N 3.34Å; H160-A356 PolarHBondContact CE1-O 3.43Å; H160-A356 PolarHBondContact NE2-O 3.08Å
161N87.5Confident90Very high17 Ų1723.1 Ų23.19%0.09113%0.133CC..  trans-138.293.8-173.7-53.7-68.9000108.2G127 D128 F154 P156 G158 L163 S164G127-N161 WeakPolarHBondContact CA-OD1 3.28Å; D128-N161 WeakPolarHBondContact OD2-CA 3.5Å; F154-N161 HydrophobicContact CE1-CB 3.92Å; F154-N161 HydrophobicContact CZ-CB 3.98Å; P156-N161 HydrophobicContact CB-CB 4.09Å; P156-N161 WeakPolarHBondContact CB-ND2 3.4Å; G158-N161 VanDerWaalsContact CA-OD1 3.24Å; G158-N161 WeakPolarHBondContact CA-OD1 3.44Å; G158-N161 PolarHBondContact N-OD1 2.96Å; G158-N161 PolarHBondContact O-ND2 3.33Å; N161-L163 VanDerWaalsContact C-N 3.32Å; N161-L163 PolarHBondContact O-N 2.9Å; N161-S164 VanDerWaalsContact O-CB 3.31Å; N161-S164 WeakPolarHBondContact O-CB 3.08Å; N161-S164 PolarHBondContact O-N 3.19Å; N161-S164 VanDerWaalsContact O-N 3.16Å
162S87.6Confident89.5Confident14 Ų1430.4 Ų30.410%0.09817%0.171CC..THydrogen-bonded Turntrans-67.1-33.3-169.5-59.40000112.4D128 S164 E165D128-S162 PolarHBondContact OD1-N 3.42Å; D128-S162 PolarHBondContact OD2-N 2.99Å; S162-S164 VanDerWaalsContact C-N 3.29Å; S162-S164 PolarHBondContact O-N 2.98Å; S162-E165 PolarHBondContact O-N 3.45Å
163L90.4Very high89.2Confident4 Ų433 Ų332%0.02118%0.184CC..THydrogen-bonded Turntrans-72.6-23.2176.8-74.6159.2000113.8L131 F154 N161 E165 S166 L167 L209 I210L131-L163 HydrophobicContact CD2-CD1 3.4Å; L131-L163 VanDerWaalsContact CD2-CD1 3.4Å; L131-L163 HydrophobicContact CG-CD1 4.48Å; F154-L163 HydrophobicContact CE1-CB 4.5Å; N161-L163 VanDerWaalsContact C-N 3.32Å; N161-L163 PolarHBondContact O-N 2.9Å; L163-E165 PolarHBondContact O-N 3.17Å; L163-S166 PolarHBondContact O-N 3.33Å; L163-S166 VanDerWaalsContact O-N 3.1Å; L163-L167 PolarHBondContact O-N 3.43Å; L163-L209 HydrophobicContact CD1-CB 3.62Å; L163-L209 HydrophobicContact CD1-CD1 3.32Å; L163-L209 HydrophobicContact CD1-CG 4.14Å; L163-L209 HydrophobicContact CD2-CB 4Å; L163-L209 HydrophobicContact CD2-CD1 4.27Å; L163-L209 HydrophobicContact CG-CB 4.34Å; L163-L209 HydrophobicContact CG-CD1 4.41Å; L163-I210 HydrophobicContact CD1-CD1 4.21Å; L163-I210 HydrophobicContact CD1-CG1 4.12Å; L163-I210 HydrophobicContact CD2-CG1 4.01Å; L163-I210 HydrophobicContact CG-CD1 3.98Å; L163-I210 HydrophobicContact CG-CG1 3.67Å
164S91Very high88.9Confident1 Ų136.9 Ų36.91%0.00720%0.203CC..Hα-helixtrans-63.1-30.4178.5-1620000111.5P156 N161 S162 S166 L167 H168 H177P156-S164 WeakPolarHBondContact CB-OG 3.41Å; P156-S164 WeakPolarHBondContact CG-OG 3.39Å; N161-S164 VanDerWaalsContact O-CB 3.31Å; N161-S164 WeakPolarHBondContact O-CB 3.08Å; N161-S164 PolarHBondContact O-N 3.19Å; N161-S164 VanDerWaalsContact O-N 3.16Å; S162-S164 VanDerWaalsContact C-N 3.29Å; S162-S164 PolarHBondContact O-N 2.98Å; S164-S166 PolarHBondContact O-N 3.22Å; S164-L167 PolarHBondContact O-N 3.18Å; S164-H168 PolarHBondContact O-N 3.41Å; S164-H177 PolarHBondContact OG-CE1 2.81Å; S164-H177 PolarHBondContact OG-NE2 3.39Å
165E88.6Confident88.8Confident65 Ų6537.2 Ų37.230%0.30421%0.205SC..Hα-helixtrans-67.3-26178.2-44.7-165.1159.800112.4S162 L163 L170 R414S162-E165 PolarHBondContact O-N 3.45Å; L163-E165 PolarHBondContact O-N 3.17Å; E165-L170 HydrophobicContact CB-CD2 3.97Å; E165-L170 HydrophobicContact CG-CD2 3.87Å; E165-R414 VanDerWaalsContact O-CZ 3.23Å; E165-R414 PolarHBondContact O-NE 3.16Å; E165-R414 PolarHBondContact O-NH2 2.9Å
166S90.2Very high88.7Confident8 Ų842.5 Ų42.56%0.05623%0.228CC..Hα-helixtrans-88.4-29178.8-610000113.1L163 S164 N321 K322 L418L163-S166 PolarHBondContact O-N 3.33Å; L163-S166 VanDerWaalsContact O-N 3.1Å; S164-S166 PolarHBondContact O-N 3.22Å; S166-N321 VanDerWaalsContact CB-O 3.3Å; S166-N321 WeakPolarHBondContact CB-O 3.22Å; S166-N321 PolarHBondContact OG-O 3.37Å; S166-N321 VanDerWaalsContact OG-O 3.04Å; S166-K322 VanDerWaalsContact OG-CA 3.26Å; S166-K322 WeakPolarHBondContact OG-CA 3.29Å; S166-K322 PolarHBondContact OG-O 3.11Å; S166-L418 WeakPolarHBondContact O-CD1 3.02Å
167L92.4Very high88.7Confident0 Ų043.6 Ų43.60%023%0.233CC..Hα-helixtrans-100.1-33.6-173.5-63.4176.8000113.6F154 L163 S164 L193 F408 C410 S411F154-L167 HydrophobicContact CB-CD1 4.37Å; L163-L167 PolarHBondContact O-N 3.43Å; S164-L167 PolarHBondContact O-N 3.18Å; L167-L193 HydrophobicContact CD2-CD1 4.33Å; L167-F408 HydrophobicContact CD1-CB 4.01Å; L167-F408 HydrophobicContact CD1-CD1 3.61Å; L167-F408 HydrophobicContact CD1-CE1 4.49Å; L167-F408 HydrophobicContact CD1-CG 4.12Å; L167-F408 HydrophobicContact CD2-CB 3.81Å; L167-C410 HydrophobicContact CD2-CB 4.43Å; L167-C410 WeakPolarHBondContact O-CA 3.32Å; L167-C410 PolarHBondContact O-SG 2.97Å; L167-S411 PolarHBondContact O-N 3.35Å
168H92.2Very high88.8Confident0 Ų043.6 Ų43.60%023%0.233CC..SBendtrans-122161.9-169.2-59.9-55000112F154 S164 L170 A181 R414F154-H168 PolarHBondContact O-NE2 3.38Å; S164-H168 PolarHBondContact O-N 3.41Å; H168-L170 PolarHBondContact O-N 2.85Å; H168-A181 WeakPolarHBondContact NE2-CB 3.32Å; H168-R414 WeakPolarHBondContact O-CD 3.49Å
169I87.9Confident89.3Confident40 Ų4043.3 Ų43.321%0.20523%0.229CC..  trans-73.6125173.8-53.7162.7000108.4S171 H177 E413 R414I169-S171 PolarHBondContact O-N 3.33Å; I169-H177 PolarHBondContact O-CD2 3.41Å; I169-E413 HydrophobicContact CD1-CB 3.78Å; I169-E413 HydrophobicContact CD1-CG 4.2Å; I169-E413 WeakPolarHBondContact CD1-OE2 3.32Å; I169-E413 HydrophobicContact CG1-CB 4.2Å; I169-R414 HydrophobicContact CG1-CB 4.3Å
170L82.2Confident90Very high92 Ų9240.2 Ų40.248%0.48221%0.207SC..  trans-65.5133175.9-63.4177.5000110.8E165 H168E165-L170 HydrophobicContact CB-CD2 3.97Å; E165-L170 HydrophobicContact CG-CD2 3.87Å; H168-L170 PolarHBondContact O-N 2.85Å
171S84Confident90.7Very high32 Ų3236.4 Ų36.422%0.22419%0.19CC..  trans-146.8138173.572.70000111.4I169 N173 H177I169-S171 PolarHBondContact O-N 3.33Å; S171-N173 PolarHBondContact O-N 3.19Å; S171-N173 PolarHBondContact OG-O 3.34Å; S171-N173 VanDerWaalsContact OG-O 3.11Å; S171-H177 WeakPolarHBondContact OG-CB 3.45Å; S171-H177 PolarHBondContact OG-N 3.27Å
172D83.8Confident91.1Very high180 Ų18035.6 Ų35.696%0.96319%0.185SC*.SBendtrans-65.1-26.8178.6-58.1-29.3000112.7Q174D172-Q174 PolarHBondContact O-N 2.88Å
173N91.1Very high91.5Very high55 Ų5536.5 Ų36.529%0.29419%0.189SC..  trans-83.4113.3175.6-172.3-22.8000110.7D38 S171 V175 K176 H177D38-N173 PolarHBondContact OD1-ND2 2.84Å; S171-N173 PolarHBondContact O-N 3.19Å; S171-N173 PolarHBondContact OG-O 3.34Å; S171-N173 VanDerWaalsContact OG-O 3.11Å; N173-V175 VanDerWaalsContact C-N 3.26Å; N173-V175 PolarHBondContact O-N 3.27Å; N173-V175 WeakPolarHBondContact OD1-CB 3.47Å; N173-V175 PolarHBondContact OD1-N 3.03Å; N173-K176 HydrophobicContact CB-CB 4.03Å; N173-K176 WeakPolarHBondContact O-CB 3.45Å; N173-K176 PolarHBondContact O-N 3.37Å; N173-K176 VanDerWaalsContact O-N 3.13Å; N173-H177 PolarHBondContact O-N 2.99Å
174Q91.1Very high91.7Very high82 Ų8236.5 Ų36.538%0.38319%0.189SC..Hα-helixtrans-54.9-37.7177.9-172.3177.52400113.5L82 D172 H177 I178L82-Q174 VanDerWaalsContact CD1-NE2 3.33Å; D172-Q174 PolarHBondContact O-N 2.88Å; Q174-H177 PolarHBondContact O-N 2.89Å; Q174-I178 HydrophobicContact CG-CD1 3.96Å; Q174-I178 WeakPolarHBondContact O-CD1 3.38Å; Q174-I178 VanDerWaalsContact O-CG1 3.29Å; Q174-I178 WeakPolarHBondContact O-CG1 3.22Å; Q174-I178 PolarHBondContact O-N 3.4Å; Q174-I178 VanDerWaalsContact O-N 3.11Å
175V93.8Very high92Very high8 Ų836.4 Ų36.45%0.04819%0.189CC..Hα-helixtrans-66.2-47.9179.2-179.90000109.7D38 R42 N173 H177 I178 T179D38-V175 HydrophobicContact CB-CG1 4.48Å; D38-V175 HydrophobicContact CB-CG2 4.19Å; R42-V175 HydrophobicContact CG-CG1 4.06Å; N173-V175 VanDerWaalsContact C-N 3.26Å; N173-V175 PolarHBondContact O-N 3.27Å; N173-V175 WeakPolarHBondContact OD1-CB 3.47Å; N173-V175 PolarHBondContact OD1-N 3.03Å; V175-H177 VanDerWaalsContact C-N 3.29Å; V175-H177 PolarHBondContact O-N 3.28Å; V175-I178 PolarHBondContact O-N 3.49Å; V175-T179 HydrophobicContact CG1-CG2 4.28Å; V175-T179 WeakPolarHBondContact O-CG2 3.47Å; V175-T179 PolarHBondContact O-N 3.19Å; V175-T179 PolarHBondContact O-OG1 2.87Å
176K94.4Very high92.2Very high110 Ų11034.3 Ų34.348%0.47818%0.18SC..Hα-helixtrans-56.8-46.3178.3-169.8177.5177.7-176.20110.7L41 N173 I178 T179 S180L41-K176 HydrophobicContact CD1-CB 4.02Å; N173-K176 HydrophobicContact CB-CB 4.03Å; N173-K176 WeakPolarHBondContact O-CB 3.45Å; N173-K176 PolarHBondContact O-N 3.37Å; N173-K176 VanDerWaalsContact O-N 3.13Å; K176-I178 PolarHBondContact O-N 3.3Å; K176-T179 WeakPolarHBondContact CA-OG1 3.19Å; K176-T179 PolarHBondContact O-N 3.3Å; K176-T179 PolarHBondContact O-OG1 2.87Å; K176-S180 WeakPolarHBondContact O-CB 3.39Å; K176-S180 PolarHBondContact O-N 2.69Å; K176-S180 PolarHBondContact O-OG 3.01Å
177H94.2Very high92.4Very high25 Ų2538.6 Ų38.612%0.11620%0.199CC..Hα-helixtrans-59.9-44.7179.6-168.1-125.6000113.1P156 S164 I169 S171 N173 Q174 V175 S180 A181P156-H177 WeakPolarHBondContact CG-CE1 3.24Å; P156-H177 VanDerWaalsContact CG-ND1 3.26Å; P156-H177 WeakPolarHBondContact CG-ND1 3.44Å; S164-H177 PolarHBondContact OG-CE1 2.81Å; S164-H177 PolarHBondContact OG-NE2 3.39Å; I169-H177 PolarHBondContact O-CD2 3.41Å; S171-H177 WeakPolarHBondContact OG-CB 3.45Å; S171-H177 PolarHBondContact OG-N 3.27Å; N173-H177 PolarHBondContact O-N 2.99Å; Q174-H177 PolarHBondContact O-N 2.89Å; V175-H177 VanDerWaalsContact C-N 3.29Å; V175-H177 PolarHBondContact O-N 3.28Å; H177-S180 PolarHBondContact O-OG 3.4Å; H177-A181 VanDerWaalsContact O-CB 3.24Å; H177-A181 WeakPolarHBondContact O-CB 3.41Å; H177-A181 PolarHBondContact O-N 2.81Å
178I95.7Very high92.3Very high0 Ų040.3 Ų40.30%022%0.217CC..Hα-helixtrans-68.1-44.9178-66.5164.8000110.6L82 N86 A87 I155 L157 Q174 V175 K176 T182L82-I178 HydrophobicContact CB-CD1 4.22Å; L82-I178 HydrophobicContact CD2-CD1 4.46Å; N86-I178 HydrophobicContact CB-CB 4.34Å; N86-I178 HydrophobicContact CB-CG2 3.78Å; A87-I178 HydrophobicContact CB-CG2 4.1Å; I155-I178 HydrophobicContact CG2-CG2 3.88Å; L157-I178 HydrophobicContact CD2-CD1 3.6Å; L157-I178 HydrophobicContact CD2-CG1 3.97Å; L157-I178 HydrophobicContact CD2-CG2 4.29Å; Q174-I178 HydrophobicContact CG-CD1 3.96Å; Q174-I178 WeakPolarHBondContact O-CD1 3.38Å; Q174-I178 VanDerWaalsContact O-CG1 3.29Å; Q174-I178 WeakPolarHBondContact O-CG1 3.22Å; Q174-I178 PolarHBondContact O-N 3.4Å; Q174-I178 VanDerWaalsContact O-N 3.11Å; V175-I178 PolarHBondContact O-N 3.49Å; K176-I178 PolarHBondContact O-N 3.3Å; I178-T182 WeakPolarHBondContact O-CB 3.39Å; I178-T182 PolarHBondContact O-N 2.64Å; I178-T182 PolarHBondContact O-OG1 3.47Å
179T95.9Very high92.4Very high6 Ų643.6 Ų43.64%0.03723%0.232CC..Hα-helixtrans-66-41.6-179.652.20000111.9A45 N86 I90 V175 K176 T182 L183A45-T179 HydrophobicContact CB-CG2 4.17Å; N86-T179 HydrophobicContact CB-CG2 4.35Å; I90-T179 HydrophobicContact CD1-CG2 3.98Å; V175-T179 HydrophobicContact CG1-CG2 4.28Å; V175-T179 WeakPolarHBondContact O-CG2 3.47Å; V175-T179 PolarHBondContact O-N 3.19Å; V175-T179 PolarHBondContact O-OG1 2.87Å; K176-T179 WeakPolarHBondContact CA-OG1 3.19Å; K176-T179 PolarHBondContact O-N 3.3Å; K176-T179 PolarHBondContact O-OG1 2.87Å; T179-T182 PolarHBondContact O-N 2.81Å; T179-L183 VanDerWaalsContact O-CG 3.3Å; T179-L183 WeakPolarHBondContact O-CG 3Å; T179-L183 PolarHBondContact O-N 3.49Å
180S95.1Very high92.6Very high25 Ų2544.3 Ų44.318%0.17524%0.238CC..Hα-helixtrans-66.4-45.7178.558.90000110.8K176 H177 T182 L183 S184K176-S180 WeakPolarHBondContact O-CB 3.39Å; K176-S180 PolarHBondContact O-N 2.69Å; K176-S180 PolarHBondContact O-OG 3.01Å; H177-S180 PolarHBondContact O-OG 3.4Å; S180-T182 VanDerWaalsContact C-N 3.29Å; S180-T182 PolarHBondContact O-N 2.95Å; S180-L183 PolarHBondContact O-N 2.97Å; S180-L183 VanDerWaalsContact O-N 3.14Å; S180-S184 PolarHBondContact O-N 3.09Å; S180-S184 PolarHBondContact O-OG 3.32Å; S180-S184 VanDerWaalsContact O-OG 3.1Å
181A95.6Very high93.1Very high0 Ų040.2 Ų40.20%022%0.217CC..Hα-helixtrans-56.7-43175.100000112.2P156 H168 H177 S184 I185P156-A181 HydrophobicContact CG-CB 4.23Å; H168-A181 WeakPolarHBondContact NE2-CB 3.32Å; H177-A181 VanDerWaalsContact O-CB 3.24Å; H177-A181 WeakPolarHBondContact O-CB 3.41Å; H177-A181 PolarHBondContact O-N 2.81Å; A181-S184 PolarHBondContact O-N 2.94Å; A181-I185 WeakPolarHBondContact O-CG1 3.26Å; A181-I185 PolarHBondContact O-N 3.45Å
182T96.5Very high93.6Very high0 Ų041.4 Ų41.40%022%0.224CC..Hα-helixtrans-66.9-39.6177.9-48.50000111.7A87 I90 L91 I155 I178 T179 S180 I185 L186A87-T182 HydrophobicContact CB-CG2 4.21Å; A87-T182 WeakPolarHBondContact CB-OG1 3.43Å; I90-T182 HydrophobicContact CB-CG2 3.95Å; I90-T182 HydrophobicContact CD1-CG2 4.45Å; I90-T182 HydrophobicContact CG2-CG2 3.68Å; L91-T182 HydrophobicContact CD2-CG2 3.76Å; L91-T182 HydrophobicContact CG-CG2 3.88Å; I155-T182 HydrophobicContact CD1-CG2 4.41Å; I178-T182 WeakPolarHBondContact O-CB 3.39Å; I178-T182 PolarHBondContact O-N 2.64Å; I178-T182 PolarHBondContact O-OG1 3.47Å; T179-T182 PolarHBondContact O-N 2.81Å; S180-T182 VanDerWaalsContact C-N 3.29Å; S180-T182 PolarHBondContact O-N 2.95Å; T182-I185 WeakPolarHBondContact O-CB 3.35Å; T182-I185 PolarHBondContact O-N 3.09Å; T182-L186 PolarHBondContact O-N 3.26Å
183L95.8Very high94Very high33 Ų3332.9 Ų32.917%0.17318%0.178CC..Hα-helixtrans-67-37.6175.6-72.4172.8000112.4A45 A48 I90 T179 S180 I185 L186 Q187A45-L183 HydrophobicContact CB-CD1 3.93Å; A45-L183 HydrophobicContact CB-CG 4.48Å; A48-L183 HydrophobicContact CB-CD2 4.14Å; I90-L183 HydrophobicContact CG2-CD2 3.95Å; I90-L183 HydrophobicContact CG2-CG 4.48Å; T179-L183 VanDerWaalsContact O-CG 3.3Å; T179-L183 WeakPolarHBondContact O-CG 3Å; T179-L183 PolarHBondContact O-N 3.49Å; S180-L183 PolarHBondContact O-N 2.97Å; S180-L183 VanDerWaalsContact O-N 3.14Å; L183-I185 VanDerWaalsContact C-N 3.27Å; L183-I185 PolarHBondContact O-N 2.78Å; L183-L186 HydrophobicContact CD2-CD1 4.41Å; L183-L186 WeakPolarHBondContact O-CA 3.29Å; L183-L186 WeakPolarHBondContact O-CB 3.47Å; L183-L186 PolarHBondContact O-N 3.21Å; L183-Q187 WeakPolarHBondContact O-CG 3.47Å; L183-Q187 PolarHBondContact O-N 3.01Å
184S94.9Very high94.2Very high4 Ų430.7 Ų30.73%0.02817%0.167CC..Hα-helixtrans-62.8-35.1175.6-61.40000112.2S180 A181 L186 Q187 G188 S411S180-S184 PolarHBondContact O-N 3.09Å; S180-S184 PolarHBondContact O-OG 3.32Å; S180-S184 VanDerWaalsContact O-OG 3.1Å; A181-S184 PolarHBondContact O-N 2.94Å; S184-L186 VanDerWaalsContact C-N 3.32Å; S184-L186 PolarHBondContact O-N 3.35Å; S184-Q187 PolarHBondContact O-N 2.88Å; S184-G188 PolarHBondContact O-N 3.02Å; S184-S411 WeakPolarHBondContact OG-CA 3.37Å; S184-S411 VanDerWaalsContact OG-CB 3.26Å; S184-S411 WeakPolarHBondContact OG-CB 3.27Å
185I95.9Very high94.4Very high0 Ų026.8 Ų26.80%015%0.149CC..Hα-helixtrans-61.9-40.7171.4-65.3165.5000110.9M121 I123 I155 A181 T182 L183 G188 F409M121-I185 HydrophobicContact CE-CG2 3.77Å; M121-I185 HydrophobicContact SD-CG2 3.29Å; M121-I185 WeakPolarHBondContact SD-CG2 3.49Å; I123-I185 HydrophobicContact CD1-CG2 4.06Å; I123-I185 HydrophobicContact CG1-CG2 4.33Å; I123-I185 HydrophobicContact CG2-CD1 4.21Å; I155-I185 HydrophobicContact CD1-CD1 4.39Å; I155-I185 HydrophobicContact CG1-CD1 3.83Å; A181-I185 WeakPolarHBondContact O-CG1 3.26Å; A181-I185 PolarHBondContact O-N 3.45Å; T182-I185 WeakPolarHBondContact O-CB 3.35Å; T182-I185 PolarHBondContact O-N 3.09Å; L183-I185 VanDerWaalsContact C-N 3.27Å; L183-I185 PolarHBondContact O-N 2.78Å; I185-G188 PolarHBondContact O-N 3.32Å; I185-F409 HydrophobicContact CB-CB 4.47Å; I185-F409 HydrophobicContact CB-CD2 4.38Å; I185-F409 HydrophobicContact CB-CG 4.36Å; I185-F409 HydrophobicContact CG1-CB 3.96Å; I185-F409 HydrophobicContact CG1-CD2 4.16Å; I185-F409 HydrophobicContact CG1-CG 4.22Å; I185-F409 HydrophobicContact CG2-CD2 3.96Å; I185-F409 HydrophobicContact CG2-CE2 4.17Å; I185-F409 HydrophobicContact CG2-CG 4.33Å
186L94.6Very high94.5Very high21 Ų2126.4 Ų26.411%0.1115%0.146CC..Hα-helixtrans-69.9-35.4177.6-63.5-174.5000113.4A49 F52 I90 L91 A94 M96 T182 L183 S184 G188A49-L186 HydrophobicContact CB-CD1 4.11Å; F52-L186 HydrophobicContact CD2-CB 4.45Å; F52-L186 HydrophobicContact CD2-CD1 4.41Å; F52-L186 HydrophobicContact CE2-CB 4.45Å; I90-L186 HydrophobicContact CG2-CD1 3.67Å; L91-L186 HydrophobicContact CD2-CD2 4.3Å; A94-L186 HydrophobicContact CB-CD1 3.61Å; A94-L186 HydrophobicContact CB-CD2 3.45Å; A94-L186 VanDerWaalsContact CB-CD2 3.45Å; A94-L186 HydrophobicContact CB-CG 4.17Å; M96-L186 HydrophobicContact CE-CD2 3.86Å; M96-L186 HydrophobicContact SD-CD2 4.07Å; T182-L186 PolarHBondContact O-N 3.26Å; L183-L186 HydrophobicContact CD2-CD1 4.41Å; L183-L186 WeakPolarHBondContact O-CA 3.29Å; L183-L186 WeakPolarHBondContact O-CB 3.47Å; L183-L186 PolarHBondContact O-N 3.21Å; S184-L186 VanDerWaalsContact C-N 3.32Å; S184-L186 PolarHBondContact O-N 3.35Å; L186-G188 PolarHBondContact O-N 2.88Å
187Q93.3Very high94.6Very high97 Ų9723.6 Ų23.645%0.45314%0.135SC..Hα-helixtrans-60.2-32.1174.4-72170.7-15.100111.5F52 L183 S184F52-Q187 HydrophobicContact CZ-CG 4.2Å; L183-Q187 WeakPolarHBondContact O-CG 3.47Å; L183-Q187 PolarHBondContact O-N 3.01Å; S184-Q187 PolarHBondContact O-N 2.88Å
188G91.3Very high94.6Very high37 Ų3722.6 Ų22.638%0.38113%0.13SC..THydrogen-bonded Turntrans84.411.4169.700000114.9S184 I185 L186S184-G188 PolarHBondContact O-N 3.02Å; I185-G188 PolarHBondContact O-N 3.32Å; L186-G188 PolarHBondContact O-N 2.88Å
189E92.6Very high94.6Very high68 Ų6827.8 Ų27.832%0.31815%0.153SC..  trans-72.5129.8174-71.1-160.9-167.500111.2F409 C410 A412 R415E189-F409 CarbonylContact O-C 3.57Å; E189-F409 VanDerWaalsContact O-CA 3.22Å; E189-F409 WeakPolarHBondContact O-CA 3.46Å; E189-F409 WeakPolarHBondContact O-CD1 3.47Å; E189-C410 PolarHBondContact O-N 2.85Å; E189-A412 VanDerWaalsContact CD-CB 3.47Å; E189-A412 WeakPolarHBondContact OE1-CB 3.22Å; E189-A412 VanDerWaalsContact OE2-CA 3.29Å; E189-A412 WeakPolarHBondContact OE2-CA 3.19Å; E189-A412 WeakPolarHBondContact OE2-CB 3.24Å; E189-R415 IonicContact OE2-NH1 3.97Å
190T93.3Very high94.2Very high55 Ų5527.9 Ų27.934%0.33716%0.155SC..EExtended strand (participates in β ladder)trans-122.4146.4-176.6640000112.7P151 F408 F409P151-T190 HydrophobicContact CB-CG2 3.85Å; T190-F408 CarbonylContact C-O 3.52Å; T190-F408 WeakPolarHBondContact CA-O 3.35Å; T190-F409 HydrophobicContact CG2-CD1 3.79Å; T190-F409 HydrophobicContact CG2-CE1 3.68Å; T190-F409 HydrophobicContact CG2-CZ 4.39Å
191V93.1Very high93.6Very high7 Ų734.3 Ų34.34%0.04218%0.182CC..EExtended strand (participates in β ladder)trans-127.4134.6174.3178.40000109P324 F408 C410V191-P324 HydrophobicContact CG1-CB 3.64Å; V191-P324 HydrophobicContact CG1-CG 3.8Å; V191-F408 PolarHBondContact N-O 3.22Å; V191-F408 PolarHBondContact O-N 2.99Å; V191-C410 HydrophobicContact CB-CB 4.24Å; V191-C410 HydrophobicContact CG2-CB 3.53Å
192P92.8Very high92.7Very high56 Ų5643.1 Ų43.136%0.36422%0.221SC..EExtended strand (participates in β ladder)trans-72.7137.8173.531.6-34.6000110.5R404 L406P192-R404 HydrophobicContact CB-CB 3.88Å; P192-R404 HydrophobicContact CB-CG 3.91Å; P192-R404 HydrophobicContact CG-CG 4.17Å; P192-L406 CarbonylContact C-O 3.4Å; P192-L406 VanDerWaalsContact CA-O 3.31Å; P192-L406 WeakPolarHBondContact CA-O 3.29Å
193L93.9Very high91.9Very high1 Ų148.2 Ų48.21%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-118.1148.4175.3-64.9-170.4000111L167 L209 P324 R404 K405 L406 F408L167-L193 HydrophobicContact CD2-CD1 4.33Å; L193-L209 HydrophobicContact CB-CD2 4.44Å; L193-L209 HydrophobicContact CD1-CD2 4.48Å; L193-P324 HydrophobicContact CD2-CB 3.37Å; L193-P324 HydrophobicContact CD2-CG 3.95Å; L193-R404 CarbonylContact O-C 3.51Å; L193-R404 WeakPolarHBondContact O-CA 3.38Å; L193-K405 PolarHBondContact O-N 3.25Å; L193-K405 VanDerWaalsContact O-N 3.1Å; L193-L406 PolarHBondContact N-O 3.45Å; L193-L406 PolarHBondContact O-N 3.32Å; L193-F408 HydrophobicContact CB-CD2 4.23Å; L193-F408 HydrophobicContact CD1-CB 3.98Å; L193-F408 HydrophobicContact CD1-CD1 4.31Å; L193-F408 HydrophobicContact CD1-CD2 3.46Å; L193-F408 VanDerWaalsContact CD1-CD2 3.46Å; L193-F408 HydrophobicContact CD1-CE2 4.02Å; L193-F408 HydrophobicContact CD1-CG 3.63Å; L193-F408 HydrophobicContact CG-CB 4.23Å; L193-F408 HydrophobicContact CG-CD2 3.88Å; L193-F408 HydrophobicContact CG-CG 4.24Å
194D94.3Very high91.5Very high10 Ų1052.3 Ų52.35%0.05326%0.262CS..EExtended strand (participates in β ladder)trans-83.3150.3173.3-53.4-31.3000110N321 L401 L402 P403 R404D194-N321 PolarHBondContact N-OD1 3.25Å; D194-N321 PolarHBondContact O-ND2 3.4Å; D194-L401 HydrophobicContact CB-CD1 3.87Å; D194-L401 HydrophobicContact CB-CG 4.49Å; D194-L402 WeakPolarHBondContact CA-O 3.31Å; D194-P403 VanDerWaalsContact OD1-CA 3.28Å; D194-P403 WeakPolarHBondContact OD1-CA 3.38Å; D194-R404 PolarHBondContact OD1-N 2.91Å
195V95.7Very high91.4Very high0 Ų053.6 Ų53.60%027%0.271CS..EExtended strand (participates in β ladder)trans-126.4138.9178.6-175.70000108.8I135 L139 F207 A208 L209 L402 K405 L406I135-V195 HydrophobicContact CG2-CG1 4.4Å; L139-V195 HydrophobicContact CD1-CB 4.4Å; L139-V195 HydrophobicContact CD1-CG1 3.78Å; L139-V195 HydrophobicContact CD1-CG2 4.31Å; V195-F207 HydrophobicContact CG1-CB 3.86Å; V195-F207 HydrophobicContact CG1-CD1 4.01Å; V195-F207 HydrophobicContact CG1-CG 4.41Å; V195-A208 CarbonylContact C-O 3.53Å; V195-A208 WeakPolarHBondContact CG1-O 3.32Å; V195-L209 HydrophobicContact CG2-CD2 3.88Å; V195-L402 HydrophobicContact CB-CB 4.35Å; V195-L402 PolarHBondContact N-O 3.33Å; V195-L402 WeakPolarHBondContact O-CA 3.43Å; V195-L402 WeakPolarHBondContact O-CB 3.32Å; V195-L402 PolarHBondContact O-N 3.45Å; V195-K405 HydrophobicContact CG2-CB 4.13Å; V195-L406 HydrophobicContact CG2-CB 4.39Å; V195-L406 HydrophobicContact CG2-CD1 3.57Å; V195-L406 HydrophobicContact CG2-CG 3.74Å
196L95.9Very high91.3Very high0 Ų054 Ų540%027%0.273CS..EExtended strand (participates in β ladder)trans-90.1125.5169.1-62.5168.7000109.1F207 A208 I317 T319 L333 V399 L401L196-F207 CarbonylContact O-C 3.58Å; L196-F207 VanDerWaalsContact O-CA 3.27Å; L196-F207 WeakPolarHBondContact O-CA 3.44Å; L196-A208 HydrophobicContact CB-CB 4.38Å; L196-A208 PolarHBondContact N-O 3.22Å; L196-A208 PolarHBondContact O-N 3.49Å; L196-I317 HydrophobicContact CD1-CG2 4.48Å; L196-T319 HydrophobicContact CD1-CG2 3.74Å; L196-T319 HydrophobicContact CD2-CG2 4.06Å; L196-T319 HydrophobicContact CG-CG2 3.48Å; L196-T319 VanDerWaalsContact CG-CG2 3.48Å; L196-L333 HydrophobicContact CD2-CB 3.79Å; L196-L333 HydrophobicContact CD2-CD2 3.85Å; L196-L333 HydrophobicContact CD2-CG 4.48Å; L196-V399 HydrophobicContact CB-CG1 4.19Å; L196-V399 HydrophobicContact CD2-CG1 4.11Å; L196-L401 HydrophobicContact CD2-CD1 3.74Å
197Q96Very high91.4Very high50 Ų5053.3 Ų53.323%0.23427%0.269CS..EExtended strand (participates in β ladder)trans-92.7116.2166.5-177.7176.227.400108.6P205 F207 V399 R400 L402Q197-P205 HydrophobicContact CG-CB 4.07Å; Q197-F207 HydrophobicContact CB-CD1 3.95Å; Q197-F207 HydrophobicContact CB-CE1 3.73Å; Q197-F207 HydrophobicContact CG-CD1 4.13Å; Q197-F207 HydrophobicContact CG-CE1 3.57Å; Q197-F207 HydrophobicContact CG-CZ 4.11Å; Q197-V399 CarbonylContact O-C 3.58Å; Q197-V399 VanDerWaalsContact O-CA 3.27Å; Q197-V399 WeakPolarHBondContact O-CA 3.15Å; Q197-R400 PolarHBondContact N-O 3.45Å; Q197-R400 PolarHBondContact O-N 3.14Å; Q197-L402 HydrophobicContact CB-CD1 4.11Å; Q197-L402 HydrophobicContact CB-CG 4.27Å
198I95.3Very high91.4Very high5 Ų548.8 Ų48.83%0.02625%0.248CC..EExtended strand (participates in β ladder)trans-109114.1179.1-56.4165.2000107.2P205 V206 A208 L212 I387 V397 V399I198-P205 CarbonylContact O-C 3.52Å; I198-P205 WeakPolarHBondContact O-CA 3.14Å; I198-V206 PolarHBondContact N-O 3.17Å; I198-V206 PolarHBondContact O-N 3.22Å; I198-A208 HydrophobicContact CD1-CB 3.98Å; I198-L212 HydrophobicContact CD1-CB 4.11Å; I198-L212 HydrophobicContact CD1-CD1 4.16Å; I198-L212 HydrophobicContact CG2-CD1 4.2Å; I198-I387 HydrophobicContact CD1-CD1 3.81Å; I198-I387 HydrophobicContact CD1-CG1 4.11Å; I198-I387 HydrophobicContact CD1-CG2 3.78Å; I198-I387 HydrophobicContact CG2-CD1 4.38Å; I198-V397 HydrophobicContact CG2-CB 4.05Å; I198-V397 HydrophobicContact CG2-CG1 4.07Å; I198-V397 HydrophobicContact CG2-CG2 4.33Å; I198-V399 HydrophobicContact CG1-CG1 4.05Å; I198-V399 HydrophobicContact CG1-CG2 4.14Å; I198-V399 HydrophobicContact CG2-CG2 4.3Å
199K94.3Very high91.5Very high109 Ų10947 Ų4747%0.47423%0.23SC..EExtended strand (participates in β ladder)trans-118.5114.2-177-173.6-178.3175.7-1700109.8P205 V397 E398K199-P205 HydrophobicContact CB-CB 4.48Å; K199-V397 WeakPolarHBondContact O-CA 3.37Å; K199-E398 PolarHBondContact N-O 3.08Å; K199-E398 PolarHBondContact O-N 3.07Å
200G88.8Confident91.5Very high8 Ų844.8 Ų44.88%0.08222%0.22CC..EExtended strand (participates in β ladder)trans-79.1161.6165.300000111.3K202G200-K202 VanDerWaalsContact C-N 3.35Å; G200-K202 PolarHBondContact O-N 3.25Å
201E81.1Confident91.5Very high159 Ų15942.4 Ų42.474%0.74321%0.207SC*.SBendtrans-61.4-39.9-177.7-66-173.3161.900113.7
202K76.8Confident91.5Very high186 Ų18642.1 Ų42.181%0.80921%0.205SC*.SBendtrans-106.5-14.9-172.6-64.7177.1-176.61690113.6G200G200-K202 VanDerWaalsContact C-N 3.35Å; G200-K202 PolarHBondContact O-N 3.25Å
203E80.9Confident91.5Very high106 Ų10640.5 Ų40.550%0.49519%0.191SC..SBendtrans-102.8158.6-172.5-63.1-162.6165.300112.9M395E203-M395 HydrophobicContact CG-SD 4.39Å
204Q87.6Confident91.5Very high119 Ų11940.8 Ų40.856%0.55619%0.192SC*.PPolyproline II helixtrans-67.9145.6170.1-71.7-173.3-6.600110.8R140 V206R140-Q204 VanDerWaalsContact CZ-CB 3.48Å; R140-Q204 VanDerWaalsContact NH1-CB 3.26Å; R140-Q204 PolarHBondContact NH2-O 3.47Å; Q204-V206 PolarHBondContact O-N 3.12Å
205P92.8Very high91.4Very high32 Ų3240.3 Ų40.321%0.20819%0.19CC..PPolyproline II helixtrans-61.1131.7-175.426-35.4000111.9R140 Q197 I198 K199 F207R140-P205 PolarHBondContact NE-O 2.79Å; R140-P205 VanDerWaalsContact NH2-C 3.34Å; R140-P205 PolarHBondContact NH2-O 3.34Å; Q197-P205 HydrophobicContact CG-CB 4.07Å; I198-P205 CarbonylContact O-C 3.52Å; I198-P205 WeakPolarHBondContact O-CA 3.14Å; K199-P205 HydrophobicContact CB-CB 4.48Å; P205-F207 HydrophobicContact CB-CE2 4.31Å; P205-F207 HydrophobicContact CB-CZ 4.34Å; P205-F207 HydrophobicContact CG-CE2 4.27Å; P205-F207 HydrophobicContact CG-CZ 4.39Å
206V93.8Very high91.2Very high7 Ų740.3 Ų40.34%0.04219%0.19CC..EExtended strand (participates in β ladder)trans-96.4143.7172.8-179.90000108.2I198 Q204 I387 Y392I198-V206 PolarHBondContact N-O 3.17Å; I198-V206 PolarHBondContact O-N 3.22Å; Q204-V206 PolarHBondContact O-N 3.12Å; V206-I387 HydrophobicContact CG1-CD1 4.4Å; V206-I387 HydrophobicContact CG1-CG2 4.47Å; V206-Y392 HydrophobicContact CG1-CE1 4.37Å; V206-Y392 HydrophobicContact CG2-CE1 4Å
207F94.9Very high90.9Very high8 Ų840.4 Ų40.44%0.03519%0.19CC..EExtended strand (participates in β ladder)trans-116.5134.7-179.7-64.5-86.5000110Q132 I135 T136 L139 R140 V195 L196 Q197 P205 L402Q132-F207 VanDerWaalsContact CG-O 3.27Å; Q132-F207 WeakPolarHBondContact CG-O 3.35Å; I135-F207 HydrophobicContact CG2-CB 4.01Å; T136-F207 HydrophobicContact CG2-CD2 4.35Å; T136-F207 PolarHBondContact OG1-N 2.86Å; T136-F207 PolarHBondContact OG1-O 2.84Å; L139-F207 HydrophobicContact CB-CD1 4.11Å; L139-F207 HydrophobicContact CB-CD2 3.65Å; L139-F207 HydrophobicContact CB-CE1 4.02Å; L139-F207 HydrophobicContact CB-CE2 3.55Å; L139-F207 HydrophobicContact CB-CG 3.91Å; L139-F207 HydrophobicContact CB-CZ 3.73Å; L139-F207 HydrophobicContact CD1-CB 3.99Å; L139-F207 HydrophobicContact CD1-CD1 3.59Å; L139-F207 HydrophobicContact CD1-CD2 4.33Å; L139-F207 HydrophobicContact CD1-CE1 4.08Å; L139-F207 HydrophobicContact CD1-CG 3.71Å; L139-F207 HydrophobicContact CG-CG 4.47Å; R140-F207 HydrophobicContact CG-CE2 4.08Å; V195-F207 HydrophobicContact CG1-CB 3.86Å; V195-F207 HydrophobicContact CG1-CD1 4.01Å; V195-F207 HydrophobicContact CG1-CG 4.41Å; L196-F207 CarbonylContact O-C 3.58Å; L196-F207 VanDerWaalsContact O-CA 3.27Å; L196-F207 WeakPolarHBondContact O-CA 3.44Å; Q197-F207 HydrophobicContact CB-CD1 3.95Å; Q197-F207 HydrophobicContact CB-CE1 3.73Å; Q197-F207 HydrophobicContact CG-CD1 4.13Å; Q197-F207 HydrophobicContact CG-CE1 3.57Å; Q197-F207 HydrophobicContact CG-CZ 4.11Å; P205-F207 HydrophobicContact CB-CE2 4.31Å; P205-F207 HydrophobicContact CB-CZ 4.34Å; P205-F207 HydrophobicContact CG-CE2 4.27Å; P205-F207 HydrophobicContact CG-CZ 4.39Å; F207-L402 HydrophobicContact CD1-CD1 4.14Å; F207-L402 HydrophobicContact CE1-CD1 3.73Å
208A94.6Very high90.7Very high1 Ų138.5 Ų38.51%0.00818%0.181CC..EExtended strand (participates in β ladder)trans-129148.2-177.800000110.9V195 L196 I198 I387 D388V195-A208 CarbonylContact C-O 3.53Å; V195-A208 WeakPolarHBondContact CG1-O 3.32Å; L196-A208 HydrophobicContact CB-CB 4.38Å; L196-A208 PolarHBondContact N-O 3.22Å; L196-A208 PolarHBondContact O-N 3.49Å; I198-A208 HydrophobicContact CD1-CB 3.98Å; A208-I387 HydrophobicContact CB-CG2 3.51Å; A208-D388 WeakPolarHBondContact CA-OD2 3.39Å
209L93.6Very high90.5Very high1 Ų140.9 Ų40.91%0.00519%0.194CC..SBendtrans-102.1-31.6177.6-80.2-177.3000113L131 I135 L163 L193 V195 T319 N321 D388 L406 F408L131-L209 HydrophobicContact CD2-CD1 3.9Å; L131-L209 HydrophobicContact CG-CD1 4.16Å; I135-L209 HydrophobicContact CD1-CD1 3.11Å; I135-L209 HydrophobicContact CD1-CD2 4.1Å; I135-L209 HydrophobicContact CD1-CG 3.41Å; I135-L209 VanDerWaalsContact CD1-CG 3.41Å; L163-L209 HydrophobicContact CD1-CB 3.62Å; L163-L209 HydrophobicContact CD1-CD1 3.32Å; L163-L209 HydrophobicContact CD1-CG 4.14Å; L163-L209 HydrophobicContact CD2-CB 4Å; L163-L209 HydrophobicContact CD2-CD1 4.27Å; L163-L209 HydrophobicContact CG-CB 4.34Å; L163-L209 HydrophobicContact CG-CD1 4.41Å; L193-L209 HydrophobicContact CB-CD2 4.44Å; L193-L209 HydrophobicContact CD1-CD2 4.48Å; V195-L209 HydrophobicContact CG2-CD2 3.88Å; L209-T319 WeakPolarHBondContact O-CB 3.47Å; L209-T319 VanDerWaalsContact O-CG2 3.25Å; L209-T319 WeakPolarHBondContact O-CG2 3.35Å; L209-T319 PolarHBondContact O-OG1 3.18Å; L209-N321 PolarHBondContact O-ND2 2.99Å; L209-D388 PolarHBondContact N-OD2 3.33Å; L209-L406 HydrophobicContact CD2-CD1 4.43Å; L209-F408 HydrophobicContact CD1-CE1 4.28Å; L209-F408 HydrophobicContact CD1-CE2 4.08Å; L209-F408 HydrophobicContact CD1-CZ 3.65Å; L209-F408 HydrophobicContact CD2-CE2 4.44Å
210I92.1Very high90.4Very high21 Ų2135.7 Ų35.711%0.10817%0.171CC..SBendtrans-99.2-59.2-178.4-55.5146.5000109.1D128 L163 Q318 T319 T359 D388D128-I210 HydrophobicContact CB-CD1 4.39Å; L163-I210 HydrophobicContact CD1-CD1 4.21Å; L163-I210 HydrophobicContact CD1-CG1 4.12Å; L163-I210 HydrophobicContact CD2-CG1 4.01Å; L163-I210 HydrophobicContact CG-CD1 3.98Å; L163-I210 HydrophobicContact CG-CG1 3.67Å; I210-Q318 CarbonylContact O-C 3.51Å; I210-Q318 VanDerWaalsContact O-CA 3.29Å; I210-Q318 WeakPolarHBondContact O-CA 3.34Å; I210-T319 PolarHBondContact O-N 2.96Å; I210-T319 PolarHBondContact O-OG1 3.29Å; I210-T359 HydrophobicContact CG2-CG2 3.76Å; I210-D388 WeakPolarHBondContact CA-OD1 3.35Å; I210-D388 VanDerWaalsContact CB-OD1 3.22Å; I210-D388 WeakPolarHBondContact CB-OD1 3.41Å; I210-D388 HydrophobicContact CD1-CB 4.46Å; I210-D388 PolarHBondContact N-OD1 3.38Å; I210-D388 PolarHBondContact N-OD2 3.39Å
211G92.6Very high90.5Very high5 Ų537.3 Ų37.35%0.05218%0.184CC..EExtended strand (participates in β ladder)trans163.7174.2-177.600000116.3I317 D388G211-I317 CarbonylContact C-O 3.51Å; G211-I317 WeakPolarHBondContact CA-O 2.67Å; G211-D388 PolarHBondContact N-OD1 2.88Å; G211-D388 PolarHBondContact O-N 2.91Å
212L93.8Very high90.8Very high0 Ų031.6 Ų31.60%016%0.162CC..EExtended strand (participates in β ladder)trans-102138.3170.9178151.1000109.3I198 S316 I317 L375 Y385 N386 I387 V397I198-L212 HydrophobicContact CD1-CB 4.11Å; I198-L212 HydrophobicContact CD1-CD1 4.16Å; I198-L212 HydrophobicContact CG2-CD1 4.2Å; L212-S316 CarbonylContact O-C 3.6Å; L212-S316 WeakPolarHBondContact O-CA 3.1Å; L212-S316 WeakPolarHBondContact O-CB 3.35Å; L212-I317 HydrophobicContact CD2-CD1 4.44Å; L212-I317 PolarHBondContact N-O 3.1Å; L212-I317 PolarHBondContact O-N 3.44Å; L212-L375 HydrophobicContact CD2-CD2 4.31Å; L212-Y385 HydrophobicContact CD1-CD1 4.26Å; L212-Y385 HydrophobicContact CD1-CD2 4.06Å; L212-Y385 HydrophobicContact CD1-CE2 4.4Å; L212-Y385 HydrophobicContact CD1-CG 3.96Å; L212-Y385 HydrophobicContact CD2-CD1 3.92Å; L212-Y385 HydrophobicContact CD2-CE1 4.16Å; L212-Y385 HydrophobicContact CD2-CG 4.4Å; L212-Y385 HydrophobicContact CG-CD1 4.27Å; L212-Y385 HydrophobicContact CG-CG 4.27Å; L212-N386 CarbonylContact C-O 3.55Å; L212-N386 WeakPolarHBondContact CA-O 3.37Å; L212-I387 HydrophobicContact CB-CG1 4.38Å; L212-I387 HydrophobicContact CD1-CD1 4.22Å; L212-I387 HydrophobicContact CD1-CG1 4.08Å; L212-I387 HydrophobicContact CG-CG1 4.24Å; L212-V397 HydrophobicContact CD1-CG2 4.41Å
213R93.4Very high91.5Very high22 Ų2224.1 Ų24.18%0.08313%0.131CC..EExtended strand (participates in β ladder)trans-129.1138.9175.4-64.2176.463.5-173.86.7110.8R218 E314 N386R213-R218 HydrophobicContact CB-CB 4.48Å; R213-R218 HydrophobicContact CB-CG 4.47Å; R213-E314 IonicContact CZ-OE1 3.89Å; R213-E314 IonicContact NE-OE1 3.4Å; R213-E314 PolarHBondContact NE-OE1 3.03Å; R213-E314 IonicContact NH2-OE1 2.82Å; R213-E314 PolarHBondContact NH2-OE1 3.26Å; R213-E314 IonicContact NH2-OE2 3.5Å; R213-N386 HydrophobicContact CB-CB 4.41Å; R213-N386 PolarHBondContact N-O 2.91Å; R213-N386 PolarHBondContact O-N 3.08Å
214W93.6Very high92Very high7 Ų720 Ų203%0.02711%0.113CC..EExtended strand (participates in β ladder)trans-141.6133.8180-177.659.7000110.7H251 A253 E314 L315 L377 A382 Y385W214-H251 HydrophobicContact CH2-CB 3.35Å; W214-H251 HydrophobicContact CZ2-CB 3.79Å; W214-H251 HydrophobicContact CZ3-CB 3.94Å; W214-A253 HydrophobicContact CE3-CB 4.44Å; W214-A253 HydrophobicContact CH2-CB 3.9Å; W214-A253 HydrophobicContact CZ3-CB 3.49Å; W214-A253 VanDerWaalsContact CZ3-CB 3.49Å; W214-E314 CarbonylContact O-C 3.56Å; W214-E314 VanDerWaalsContact O-CA 3.32Å; W214-E314 WeakPolarHBondContact O-CA 3.3Å; W214-E314 WeakPolarHBondContact O-CG 3.24Å; W214-L315 HydrophobicContact CE3-CB 4.15Å; W214-L315 PolarHBondContact N-O 3.14Å; W214-L315 PolarHBondContact O-N 3.12Å; W214-L315 VanDerWaalsContact O-O 3.14Å; W214-L377 HydrophobicContact CD2-CD1 4.35Å; W214-L377 HydrophobicContact CD2-CD2 4.1Å; W214-L377 HydrophobicContact CE3-CD2 3.98Å; W214-L377 HydrophobicContact CH2-CD2 3.47Å; W214-L377 VanDerWaalsContact CH2-CD2 3.47Å; W214-L377 HydrophobicContact CZ2-CD1 4.01Å; W214-L377 HydrophobicContact CZ2-CD2 3.62Å; W214-L377 HydrophobicContact CZ2-CG 4.43Å; W214-L377 HydrophobicContact CZ3-CD2 3.69Å; W214-A382 PolarHBondContact NE1-O 3.37Å; W214-Y385 HydrophobicContact CB-CD1 3.71Å; W214-Y385 HydrophobicContact CB-CE1 3.79Å; W214-Y385 AromaticContact CD1-CD1 3.65Å; W214-Y385 AromaticContact CD1-CE1 3.64Å; W214-Y385 HydrophobicContact CD2-CE1 4.4Å; W214-Y385 AromaticContact CG-CD1 3.84Å; W214-Y385 HydrophobicContact CG-CD1 3.84Å; W214-Y385 AromaticContact CG-CE1 3.66Å; W214-Y385 HydrophobicContact CG-CE1 3.66Å
215G91.4Very high92Very high0 Ų022.9 Ų22.90%012%0.123CC..EExtended strand (participates in β ladder)trans124.5-169.6174.200000115.1F217 R218 D219 L313G215-F217 PolarHBondContact O-N 3.31Å; G215-R218 WeakPolarHBondContact O-CB 2.82Å; G215-R218 PolarHBondContact O-N 2.93Å; G215-R218 VanDerWaalsContact O-N 3.09Å; G215-D219 PolarHBondContact O-N 3.03Å; G215-D219 VanDerWaalsContact O-N 3.12Å; G215-L313 CarbonylContact C-O 3.47Å; G215-L313 WeakPolarHBondContact CA-O 3.26Å
216A90.9Very high92Very high0 Ų028.4 Ų28.40%014%0.144CC..Hα-helixtrans-58.7-44.1-165.300000113.9R218 D219 V220 Q249 L313 F347A216-R218 VanDerWaalsContact C-N 3.26Å; A216-R218 PolarHBondContact O-N 3.37Å; A216-D219 PolarHBondContact O-N 3.39Å; A216-V220 WeakPolarHBondContact O-CG2 3.45Å; A216-V220 PolarHBondContact O-N 3.14Å; A216-Q249 HydrophobicContact CB-CB 3.79Å; A216-L313 HydrophobicContact CB-CD2 3.99Å; A216-L313 PolarHBondContact N-O 3.46Å; A216-F347 HydrophobicContact CB-CE2 4.06Å; A216-F347 HydrophobicContact CB-CZ 4.26Å
217F91.6Very high92Very high3 Ų329.5 Ų29.51%0.01315%0.147CC..Hα-helixtrans-62-36.3179.9-72.3-69.6000112.4G215 A221 H239 E314 F347 V350 K354G215-F217 PolarHBondContact O-N 3.31Å; F217-A221 WeakPolarHBondContact O-CB 3.44Å; F217-A221 PolarHBondContact O-N 3.4Å; F217-H239 AromaticContact CD1-CE1 3.85Å; F217-E314 WeakPolarHBondContact CB-OE2 3.25Å; F217-E314 HydrophobicContact CD2-CB 3.78Å; F217-E314 HydrophobicContact CD2-CG 4.48Å; F217-E314 WeakPolarHBondContact CD2-OE2 3.4Å; F217-F347 HydrophobicContact CD1-CD2 4.12Å; F217-F347 AromaticContact CD1-CE2 3.7Å; F217-F347 HydrophobicContact CD1-CE2 3.7Å; F217-F347 HydrophobicContact CD1-CZ 4.25Å; F217-F347 HydrophobicContact CD2-CE2 4.32Å; F217-F347 AromaticContact CE1-CD2 3.39Å; F217-F347 HydrophobicContact CE1-CD2 3.39Å; F217-F347 AromaticContact CE1-CE2 3.46Å; F217-F347 HydrophobicContact CE1-CE2 3.46Å; F217-F347 VanDerWaalsContact CE1-CE2 3.46Å; F217-F347 HydrophobicContact CE1-CG 4.12Å; F217-F347 HydrophobicContact CE1-CZ 4.26Å; F217-F347 WeakPolarHBondContact CE1-O 3.36Å; F217-F347 HydrophobicContact CE2-CD2 4.11Å; F217-F347 HydrophobicContact CE2-CE2 4.13Å; F217-F347 HydrophobicContact CG-CE2 4.13Å; F217-F347 AromaticContact CZ-CD2 3.38Å; F217-F347 HydrophobicContact CZ-CD2 3.38Å; F217-F347 AromaticContact CZ-CE2 3.7Å; F217-F347 HydrophobicContact CZ-CE2 3.7Å; F217-F347 HydrophobicContact CZ-CG 4.33Å; F217-V350 HydrophobicContact CE1-CB 4.34Å; F217-V350 HydrophobicContact CE1-CG1 4.15Å; F217-V350 HydrophobicContact CE2-CG1 4.47Å; F217-V350 HydrophobicContact CZ-CB 4.19Å; F217-V350 HydrophobicContact CZ-CG1 3.83Å; F217-K354 HydrophobicContact CB-CD 4.31Å; F217-K354 HydrophobicContact CD1-CD 4.23Å; F217-K354 HydrophobicContact CD2-CD 4.1Å; F217-K354 HydrophobicContact CE2-CD 4.48Å; F217-K354 HydrophobicContact CG-CD 3.96Å
218R91.1Very high91.8Very high10 Ų1038.4 Ų38.44%0.03818%0.181CC..Hα-helixtrans-70.7-41.2178.1168.6-89.3-175.6-145.6-6.5110.9R213 G215 A216 V220 A221 S222 F384 Y385 N386R213-R218 HydrophobicContact CB-CB 4.48Å; R213-R218 HydrophobicContact CB-CG 4.47Å; G215-R218 WeakPolarHBondContact O-CB 2.82Å; G215-R218 PolarHBondContact O-N 2.93Å; G215-R218 VanDerWaalsContact O-N 3.09Å; A216-R218 VanDerWaalsContact C-N 3.26Å; A216-R218 PolarHBondContact O-N 3.37Å; R218-V220 VanDerWaalsContact C-N 3.34Å; R218-V220 PolarHBondContact O-N 3.31Å; R218-A221 WeakPolarHBondContact O-CB 3.29Å; R218-A221 PolarHBondContact O-N 3.32Å; R218-A221 VanDerWaalsContact O-N 3.13Å; R218-S222 PolarHBondContact O-N 2.87Å; R218-F384 VanDerWaalsContact CZ-CB 3.43Å; R218-F384 PolarHBondContact NE-O 3.27Å; R218-F384 PolarHBondContact NH1-O 3.4Å; R218-F384 VanDerWaalsContact NH2-C 3.28Å; R218-F384 PolarHBondContact NH2-O 3.33Å; R218-Y385 PolarHBondContact NH2-O 2.89Å; R218-N386 HydrophobicContact CG-CB 3.51Å
219D91Very high91.7Very high54 Ų5445 Ų4529%0.28921%0.207SC..Hα-helixtrans-65.6-38.2175.8-68.1-18.2000112G215 A216 A221 S222G215-D219 PolarHBondContact O-N 3.03Å; G215-D219 VanDerWaalsContact O-N 3.12Å; A216-D219 PolarHBondContact O-N 3.39Å; D219-A221 VanDerWaalsContact C-N 3.34Å; D219-S222 PolarHBondContact O-OG 2.93Å
220V91.7Very high91.6Very high1 Ų147.5 Ų47.51%0.00622%0.22CC..Hα-helixtrans-63.4-43.6171.11790000110.6A216 R218 S222 T223 I224 A238 H239 S242 F347A216-V220 WeakPolarHBondContact O-CG2 3.45Å; A216-V220 PolarHBondContact O-N 3.14Å; R218-V220 VanDerWaalsContact C-N 3.34Å; R218-V220 PolarHBondContact O-N 3.31Å; V220-S222 VanDerWaalsContact C-N 3.27Å; V220-S222 PolarHBondContact O-N 3.4Å; V220-T223 WeakPolarHBondContact O-CA 3.22Å; V220-T223 PolarHBondContact O-N 3.04Å; V220-T223 PolarHBondContact O-OG1 3.31Å; V220-I224 HydrophobicContact CG1-CG1 4.42Å; V220-I224 WeakPolarHBondContact O-CG1 3.5Å; V220-I224 PolarHBondContact O-N 3.47Å; V220-I224 VanDerWaalsContact O-N 3.09Å; V220-A238 HydrophobicContact CG1-CB 3.68Å; V220-H239 HydrophobicContact CG1-CB 4.4Å; V220-H239 VanDerWaalsContact CG1-CE1 3.43Å; V220-H239 WeakPolarHBondContact CG1-CE1 3.17Å; V220-H239 WeakPolarHBondContact CG1-ND1 3.46Å; V220-S242 VanDerWaalsContact CG2-CB 3.48Å; V220-S242 WeakPolarHBondContact CG2-OG 3.48Å; V220-F347 HydrophobicContact CG2-CE1 4.35Å; V220-F347 HydrophobicContact CG2-CZ 4.06Å
221A90.4Very high91.6Very high42 Ų4248.2 Ų48.235%0.34723%0.232SC..Hα-helixtrans-56.9-37.7-177.800000113.2F217 R218 D219 T223 I224F217-A221 WeakPolarHBondContact O-CB 3.44Å; F217-A221 PolarHBondContact O-N 3.4Å; R218-A221 WeakPolarHBondContact O-CB 3.29Å; R218-A221 PolarHBondContact O-N 3.32Å; R218-A221 VanDerWaalsContact O-N 3.13Å; D219-A221 VanDerWaalsContact C-N 3.34Å; A221-T223 VanDerWaalsContact C-N 3.34Å; A221-T223 PolarHBondContact O-N 3.37Å; A221-I224 PolarHBondContact O-N 3.21Å
222S88.9Confident91.5Very high39 Ų3953.8 Ų53.827%0.27327%0.267SS..Hα-helixtrans-66.5-34.7175.372.20000112.3R218 D219 V220 E391R218-S222 PolarHBondContact O-N 2.87Å; D219-S222 PolarHBondContact O-OG 2.93Å; V220-S222 VanDerWaalsContact C-N 3.27Å; V220-S222 PolarHBondContact O-N 3.4Å; S222-E391 WeakPolarHBondContact CB-OE1 3.37Å
223T90.8Very high91.4Very high28 Ų2859 Ų5917%0.17230%0.295CS..Hα-helixtrans-79.4-19.7179.568.70000114.6V220 A221 K225 K226 Y227V220-T223 WeakPolarHBondContact O-CA 3.22Å; V220-T223 PolarHBondContact O-N 3.04Å; V220-T223 PolarHBondContact O-OG1 3.31Å; A221-T223 VanDerWaalsContact C-N 3.34Å; A221-T223 PolarHBondContact O-N 3.37Å; T223-K225 PolarHBondContact O-N 2.93Å; T223-K225 VanDerWaalsContact O-N 3.09Å; T223-K226 VanDerWaalsContact O-CB 3.27Å; T223-K226 WeakPolarHBondContact O-CB 3.45Å; T223-K226 PolarHBondContact O-N 3.27Å; T223-Y227 VanDerWaalsContact O-CD2 3.28Å; T223-Y227 WeakPolarHBondContact O-CD2 3.38Å
224I91.3Very high91.4Very high21 Ų2161 Ų6111%0.10830%0.304CS..G310 helixtrans-51.9-39-179.5-68.5173000111.7V220 A221 K226 Y227 K234 I235 A238 A355V220-I224 HydrophobicContact CG1-CG1 4.42Å; V220-I224 WeakPolarHBondContact O-CG1 3.5Å; V220-I224 PolarHBondContact O-N 3.47Å; V220-I224 VanDerWaalsContact O-N 3.09Å; A221-I224 PolarHBondContact O-N 3.21Å; I224-K226 VanDerWaalsContact C-N 3.26Å; I224-K226 PolarHBondContact O-N 3.24Å; I224-Y227 PolarHBondContact O-N 3.07Å; I224-K234 HydrophobicContact CG2-CD 4.25Å; I224-K234 HydrophobicContact CG2-CG 4.13Å; I224-I235 HydrophobicContact CD1-CG1 4.49Å; I224-I235 HydrophobicContact CD1-CG2 4.26Å; I224-I235 HydrophobicContact CG2-CG1 4.12Å; I224-A238 HydrophobicContact CG1-CB 3.8Å; I224-A355 HydrophobicContact CD1-CB 4.26Å
225K88.8Confident91.3Very high179 Ų17962.6 Ų62.678%0.77831%0.313SS*.G310 helixtrans-64.7-29.1180-66.4176.1-175.2166.30112.6T223 Y227T223-K225 PolarHBondContact O-N 2.93Å; T223-K225 VanDerWaalsContact O-N 3.09Å; K225-Y227 VanDerWaalsContact C-N 3.29Å; K225-Y227 PolarHBondContact O-N 2.95Å
226K92Very high91.4Very high147 Ų14766.8 Ų66.864%0.63933%0.331SS*.G310 helixtrans-67.2-31.7178.7-58.3178.5-178.6173.90111.4T223 I224 W228T223-K226 VanDerWaalsContact O-CB 3.27Å; T223-K226 WeakPolarHBondContact O-CB 3.45Å; T223-K226 PolarHBondContact O-N 3.27Å; I224-K226 VanDerWaalsContact C-N 3.26Å; I224-K226 PolarHBondContact O-N 3.24Å; K226-W228 VanDerWaalsContact C-N 3.26Å; K226-W228 PolarHBondContact O-N 3.46Å
227Y92.9Very high91.6Very high30 Ų3067.6 Ų67.612%0.11834%0.337CS..G310 helixtrans-87.731.8-179.1-56.9-67.2000114.1T223 I224 K225 Y229 L230 K234 A238 F241T223-Y227 VanDerWaalsContact O-CD2 3.28Å; T223-Y227 WeakPolarHBondContact O-CD2 3.38Å; I224-Y227 PolarHBondContact O-N 3.07Å; K225-Y227 VanDerWaalsContact C-N 3.29Å; K225-Y227 PolarHBondContact O-N 2.95Å; Y227-Y229 HydrophobicContact CD1-CE1 4.12Å; Y227-Y229 WeakPolarHBondContact CD1-OH 3.38Å; Y227-Y229 PolarHBondContact O-N 3.14Å; Y227-L230 PolarHBondContact O-N 2.73Å; Y227-L230 VanDerWaalsContact O-N 3.11Å; Y227-K234 VanDerWaalsContact O-CB 3.23Å; Y227-K234 WeakPolarHBondContact O-CB 3.15Å; Y227-A238 HydrophobicContact CD2-CB 3.7Å; Y227-A238 HydrophobicContact CE2-CB 3.9Å; Y227-F241 HydrophobicContact CD1-CD2 4.1Å; Y227-F241 HydrophobicContact CD1-CE2 4.08Å; Y227-F241 AromaticContact CE1-CD2 3.61Å; Y227-F241 HydrophobicContact CE1-CD2 3.61Å; Y227-F241 AromaticContact CE1-CE2 3.9Å; Y227-F241 HydrophobicContact CE1-CE2 3.9Å; Y227-F241 HydrophobicContact CE2-CD2 4.34Å; Y227-F241 AromaticContact CZ-CD2 3.74Å
228W90.6Very high91.7Very high196 Ų19667.5 Ų67.574%0.74234%0.337SS*.G310 helixtrans-56.9-27-175.267.7-92.1000114K226 L230 G231K226-W228 VanDerWaalsContact C-N 3.26Å; K226-W228 PolarHBondContact O-N 3.46Å; W228-L230 VanDerWaalsContact C-N 3.3Å; W228-L230 PolarHBondContact O-N 3.37Å; W228-G231 PolarHBondContact O-N 3.01Å
229Y93.1Very high91.8Very high138 Ų13867.2 Ų67.254%0.54134%0.336SS..G310 helixtrans-70.5-18.5-179.159.3-89.7000114.1Y227 G231Y227-Y229 HydrophobicContact CD1-CE1 4.12Å; Y227-Y229 WeakPolarHBondContact CD1-OH 3.38Å; Y227-Y229 PolarHBondContact O-N 3.14Å; Y229-G231 VanDerWaalsContact C-N 3.3Å; Y229-G231 PolarHBondContact O-N 2.86Å
230L92.2Very high91.9Very high55 Ų5570.5 Ų70.529%0.28835%0.345SS..G310 helixtrans-861.7179.2-65.4175.6000113.7Y227 W228 P232 L233 K234 A237 F241Y227-L230 PolarHBondContact O-N 2.73Å; Y227-L230 VanDerWaalsContact O-N 3.11Å; W228-L230 VanDerWaalsContact C-N 3.3Å; W228-L230 PolarHBondContact O-N 3.37Å; L230-P232 WeakPolarHBondContact O-CD 3.46Å; L230-L233 PolarHBondContact O-N 3.34Å; L230-K234 HydrophobicContact CB-CB 4.13Å; L230-A237 HydrophobicContact CD1-CB 3.42Å; L230-A237 VanDerWaalsContact CD1-CB 3.42Å; L230-F241 HydrophobicContact CD1-CE2 3.95Å
231G91.1Very high92Very high35 Ų3573.4 Ų73.436%0.36136%0.357SS..G310 helixtrans55.3-119.8175.300000112.5W228 Y229 L233 K234W228-G231 PolarHBondContact O-N 3.01Å; Y229-G231 VanDerWaalsContact C-N 3.3Å; Y229-G231 PolarHBondContact O-N 2.86Å; G231-L233 VanDerWaalsContact C-N 3.3Å; G231-L233 PolarHBondContact O-N 3.3Å; G231-K234 WeakPolarHBondContact O-CD 3.46Å; G231-K234 WeakPolarHBondContact O-CG 3.21Å; G231-K234 PolarHBondContact O-N 2.91Å
232P90.2Very high92.1Very high122 Ų12272.4 Ų72.479%0.79235%0.348SS*.G310 helixtrans-69.8-25.2-178.729.7-34.5000113.2L230 K234L230-P232 WeakPolarHBondContact O-CD 3.46Å; P232-K234 VanDerWaalsContact C-N 3.29Å; P232-K234 PolarHBondContact O-N 3.39Å
233L92.3Very high92.3Very high109 Ų10971.3 Ų71.357%0.57134%0.339SS*.G310 helixtrans-81.8-8.5-177.5-65.2175.5000113.2L230 G231 I235 K236 A237L230-L233 PolarHBondContact O-N 3.34Å; G231-L233 VanDerWaalsContact C-N 3.3Å; G231-L233 PolarHBondContact O-N 3.3Å; L233-I235 PolarHBondContact O-N 2.9Å; L233-I235 VanDerWaalsContact O-N 3.13Å; L233-K236 PolarHBondContact O-N 3.21Å; L233-A237 VanDerWaalsContact O-CB 3.23Å; L233-A237 WeakPolarHBondContact O-CB 3.36Å; L233-A237 PolarHBondContact O-N 3.35Å
234K93.9Very high92.3Very high64 Ų6475.1 Ų75.128%0.27836%0.358SS..Hα-helixtrans-55.2-35-174.272.1-174.9176.9179.40113.9I224 Y227 L230 G231 P232 A238I224-K234 HydrophobicContact CG2-CD 4.25Å; I224-K234 HydrophobicContact CG2-CG 4.13Å; Y227-K234 VanDerWaalsContact O-CB 3.23Å; Y227-K234 WeakPolarHBondContact O-CB 3.15Å; L230-K234 HydrophobicContact CB-CB 4.13Å; G231-K234 WeakPolarHBondContact O-CD 3.46Å; G231-K234 WeakPolarHBondContact O-CG 3.21Å; G231-K234 PolarHBondContact O-N 2.91Å; P232-K234 VanDerWaalsContact C-N 3.29Å; P232-K234 PolarHBondContact O-N 3.39Å; K234-A238 VanDerWaalsContact O-CB 3.28Å; K234-A238 WeakPolarHBondContact O-CB 3.49Å; K234-A238 PolarHBondContact O-N 3.12Å
235I91.8Very high92.2Very high41 Ų4183.7 Ų83.721%0.2139%0.389CS..Hα-helixtrans-69.9-55.4-178.1-59.6175.2000108.9I224 L233 A237 A238 H239 E352 A355I224-I235 HydrophobicContact CD1-CG1 4.49Å; I224-I235 HydrophobicContact CD1-CG2 4.26Å; I224-I235 HydrophobicContact CG2-CG1 4.12Å; L233-I235 PolarHBondContact O-N 2.9Å; L233-I235 VanDerWaalsContact O-N 3.13Å; I235-A237 VanDerWaalsContact C-N 3.3Å; I235-A237 PolarHBondContact O-N 3.09Å; I235-A238 PolarHBondContact O-N 2.9Å; I235-H239 PolarHBondContact O-CD2 3.43Å; I235-H239 PolarHBondContact O-N 3.2Å; I235-E352 HydrophobicContact CG2-CB 4.34Å; I235-A355 HydrophobicContact CD1-CB 4.26Å; I235-A355 HydrophobicContact CG2-CB 3.89Å
236K93.5Very high92Very high89 Ų8981.6 Ų81.639%0.38738%0.382SS..Hα-helixtrans-58.9-42.8177.3-64.9-175-179.6-176.60112.2L233 H239 W240 I348 E352L233-K236 PolarHBondContact O-N 3.21Å; K236-H239 PolarHBondContact O-N 3.28Å; K236-W240 WeakPolarHBondContact O-CB 3.41Å; K236-W240 PolarHBondContact O-N 2.99Å; K236-I348 HydrophobicContact CB-CG2 4.02Å; K236-I348 HydrophobicContact CG-CG2 4.06Å; K236-E352 WeakPolarHBondContact CE-OE1 3.32Å; K236-E352 WeakPolarHBondContact CE-OE2 3.01Å; K236-E352 IonicContact NZ-OE1 3.52Å; K236-E352 IonicContact NZ-OE2 3.13Å; K236-E352 PolarHBondContact NZ-OE2 3.45Å; K236-E352 VanDerWaalsContact NZ-OE2 3.13Å
237A93.9Very high91.8Very high16 Ų1678.7 Ų78.713%0.13237%0.367CS..Hα-helixtrans-63.9-39.9178.500000111.9L230 L233 I235 W240 F241L230-A237 HydrophobicContact CD1-CB 3.42Å; L230-A237 VanDerWaalsContact CD1-CB 3.42Å; L233-A237 VanDerWaalsContact O-CB 3.23Å; L233-A237 WeakPolarHBondContact O-CB 3.36Å; L233-A237 PolarHBondContact O-N 3.35Å; I235-A237 VanDerWaalsContact C-N 3.3Å; I235-A237 PolarHBondContact O-N 3.09Å; A237-W240 PolarHBondContact O-N 3Å; A237-F241 HydrophobicContact CB-CD2 4.22Å; A237-F241 HydrophobicContact CB-CE2 3.89Å; A237-F241 WeakPolarHBondContact O-CB 3.28Å; A237-F241 WeakPolarHBondContact O-CD2 3.28Å; A237-F241 VanDerWaalsContact O-CG 3.22Å; A237-F241 WeakPolarHBondContact O-CG 3.49Å; A237-F241 PolarHBondContact O-N 3.16Å
238A94.2Very high91.2Very high1 Ų181.1 Ų81.11%0.00839%0.386CS..Hα-helixtrans-61.5-46.2176.500000111.7V220 I224 Y227 K234 I235 S242V220-A238 HydrophobicContact CG1-CB 3.68Å; I224-A238 HydrophobicContact CG1-CB 3.8Å; Y227-A238 HydrophobicContact CD2-CB 3.7Å; Y227-A238 HydrophobicContact CE2-CB 3.9Å; K234-A238 VanDerWaalsContact O-CB 3.28Å; K234-A238 WeakPolarHBondContact O-CB 3.49Å; K234-A238 PolarHBondContact O-N 3.12Å; I235-A238 PolarHBondContact O-N 2.9Å; A238-S242 WeakPolarHBondContact O-CB 3.37Å; A238-S242 PolarHBondContact O-N 3.42Å
239H93.4Very high90.9Very high4 Ų472.7 Ų72.72%0.01936%0.356CS..Hα-helixtrans-62.3-45.2175.4-72.8-73000111.4F217 V220 I235 K236 S242 T243 F347 I348 G351F217-H239 AromaticContact CD1-CE1 3.85Å; V220-H239 HydrophobicContact CG1-CB 4.4Å; V220-H239 VanDerWaalsContact CG1-CE1 3.43Å; V220-H239 WeakPolarHBondContact CG1-CE1 3.17Å; V220-H239 WeakPolarHBondContact CG1-ND1 3.46Å; I235-H239 PolarHBondContact O-CD2 3.43Å; I235-H239 PolarHBondContact O-N 3.2Å; K236-H239 PolarHBondContact O-N 3.28Å; H239-S242 WeakPolarHBondContact O-CB 3.47Å; H239-S242 PolarHBondContact O-N 2.94Å; H239-T243 WeakPolarHBondContact O-CG2 3.49Å; H239-T243 PolarHBondContact O-N 2.7Å; H239-T243 VanDerWaalsContact O-N 3.08Å; H239-F347 HydrophobicContact CB-CD1 4.15Å; H239-F347 HydrophobicContact CB-CE1 3.93Å; H239-F347 AromaticContact ND1-CE1 3.48Å; H239-F347 WeakPolarHBondContact ND1-CE1 3.36Å; H239-F347 AromaticContact ND1-CZ 3.72Å; H239-I348 HydrophobicContact CB-CB 4.34Å; H239-I348 HydrophobicContact CB-CG1 3.85Å; H239-I348 HydrophobicContact CB-CG2 4.47Å; H239-G351 VanDerWaalsContact CE1-CA 3.41Å; H239-G351 WeakPolarHBondContact CE1-CA 3.34Å; H239-G351 VanDerWaalsContact NE2-CA 3.33Å; H239-G351 WeakPolarHBondContact NE2-CA 3.17Å
240W93.6Very high90.6Very high124 Ų12468.4 Ų68.447%0.4734%0.343SS..Hα-helixtrans-62.9-46.7178.4-173.773000112.8K236 A237 S242 T243 L244 I348K236-W240 WeakPolarHBondContact O-CB 3.41Å; K236-W240 PolarHBondContact O-N 2.99Å; A237-W240 PolarHBondContact O-N 3Å; W240-S242 VanDerWaalsContact C-N 3.25Å; W240-S242 PolarHBondContact O-N 3.04Å; W240-T243 PolarHBondContact O-N 2.6Å; W240-T243 VanDerWaalsContact O-N 3.14Å; W240-T243 PolarHBondContact O-OG1 2.82Å; W240-L244 HydrophobicContact CD2-CD1 4.05Å; W240-L244 HydrophobicContact CD2-CG 4.37Å; W240-L244 HydrophobicContact CE3-CD1 3.74Å; W240-L244 HydrophobicContact CH2-CD1 3.49Å; W240-L244 VanDerWaalsContact CH2-CD1 3.49Å; W240-L244 HydrophobicContact CH2-CG 4.49Å; W240-L244 HydrophobicContact CZ2-CD1 3.76Å; W240-L244 HydrophobicContact CZ2-CD2 4.26Å; W240-L244 HydrophobicContact CZ2-CG 4.3Å; W240-L244 HydrophobicContact CZ3-CD1 3.46Å; W240-L244 VanDerWaalsContact CZ3-CD1 3.46Å; W240-L244 PolarHBondContact O-N 3.36Å; W240-L244 VanDerWaalsContact O-N 3.08Å; W240-I348 HydrophobicContact CB-CD1 4.04Å; W240-I348 HydrophobicContact CG-CD1 4.44Å
241F93.9Very high90.3Very high62 Ų6268.4 Ų68.427%0.27234%0.342SS..Hα-helixtrans-62.3-32.6176-69.1-45.5000112.6Y227 L230 A237 L244 R245Y227-F241 HydrophobicContact CD1-CD2 4.1Å; Y227-F241 HydrophobicContact CD1-CE2 4.08Å; Y227-F241 AromaticContact CE1-CD2 3.61Å; Y227-F241 HydrophobicContact CE1-CD2 3.61Å; Y227-F241 AromaticContact CE1-CE2 3.9Å; Y227-F241 HydrophobicContact CE1-CE2 3.9Å; Y227-F241 HydrophobicContact CE2-CD2 4.34Å; Y227-F241 AromaticContact CZ-CD2 3.74Å; L230-F241 HydrophobicContact CD1-CE2 3.95Å; A237-F241 HydrophobicContact CB-CD2 4.22Å; A237-F241 HydrophobicContact CB-CE2 3.89Å; A237-F241 WeakPolarHBondContact O-CB 3.28Å; A237-F241 WeakPolarHBondContact O-CD2 3.28Å; A237-F241 VanDerWaalsContact O-CG 3.22Å; A237-F241 WeakPolarHBondContact O-CG 3.49Å; A237-F241 PolarHBondContact O-N 3.16Å; F241-L244 HydrophobicContact CD1-CD1 4.29Å; F241-L244 PolarHBondContact O-N 3.42Å; F241-R245 PolarHBondContact O-N 3.1Å
242S92.1Very high90.1Very high20 Ų2073.8 Ų73.814%0.1436%0.358CS..Hα-helixtrans-63.4-47.4172.8-162.40000111.2V220 A238 H239 W240 L244 R245 E246 Q249V220-S242 VanDerWaalsContact CG2-CB 3.48Å; V220-S242 WeakPolarHBondContact CG2-OG 3.48Å; A238-S242 WeakPolarHBondContact O-CB 3.37Å; A238-S242 PolarHBondContact O-N 3.42Å; H239-S242 WeakPolarHBondContact O-CB 3.47Å; H239-S242 PolarHBondContact O-N 2.94Å; W240-S242 VanDerWaalsContact C-N 3.25Å; W240-S242 PolarHBondContact O-N 3.04Å; S242-L244 PolarHBondContact O-N 3.3Å; S242-R245 PolarHBondContact O-N 3Å; S242-R245 VanDerWaalsContact O-N 3.07Å; S242-E246 PolarHBondContact O-N 3.4Å; S242-Q249 PolarHBondContact O-NE2 3.19Å; S242-Q249 PolarHBondContact OG-NE2 3.04Å; S242-Q249 PolarHBondContact OG-OE1 3.35Å
243T92.6Very high90Very high16 Ų1668.3 Ų68.310%0.09832%0.323CS..Hα-helixtrans-64.1-26.2178.662.70000114H239 W240 W247 V344 F347H239-T243 WeakPolarHBondContact O-CG2 3.49Å; H239-T243 PolarHBondContact O-N 2.7Å; H239-T243 VanDerWaalsContact O-N 3.08Å; W240-T243 PolarHBondContact O-N 2.6Å; W240-T243 VanDerWaalsContact O-N 3.14Å; W240-T243 PolarHBondContact O-OG1 2.82Å; T243-W247 HydrophobicContact CG2-CD2 4.44Å; T243-W247 HydrophobicContact CG2-CE3 3.68Å; T243-W247 HydrophobicContact CG2-CZ3 3.99Å; T243-V344 HydrophobicContact CG2-CG1 4.02Å; T243-F347 HydrophobicContact CG2-CD1 3.58Å; T243-F347 HydrophobicContact CG2-CE1 3.86Å
244L91.7Very high89.9Confident108 Ų10864.3 Ų64.357%0.56530%0.304SS*.Hα-helixtrans-74.6-26.2175-72-179.6000113.6W240 F241 S242W240-L244 HydrophobicContact CD2-CD1 4.05Å; W240-L244 HydrophobicContact CD2-CG 4.37Å; W240-L244 HydrophobicContact CE3-CD1 3.74Å; W240-L244 HydrophobicContact CH2-CD1 3.49Å; W240-L244 VanDerWaalsContact CH2-CD1 3.49Å; W240-L244 HydrophobicContact CH2-CG 4.49Å; W240-L244 HydrophobicContact CZ2-CD1 3.76Å; W240-L244 HydrophobicContact CZ2-CD2 4.26Å; W240-L244 HydrophobicContact CZ2-CG 4.3Å; W240-L244 HydrophobicContact CZ3-CD1 3.46Å; W240-L244 VanDerWaalsContact CZ3-CD1 3.46Å; W240-L244 PolarHBondContact O-N 3.36Å; W240-L244 VanDerWaalsContact O-N 3.08Å; F241-L244 HydrophobicContact CD1-CD1 4.29Å; F241-L244 PolarHBondContact O-N 3.42Å; S242-L244 PolarHBondContact O-N 3.3Å
245R88.5Confident89.8Confident202 Ų20261.3 Ų61.376%0.76229%0.291SS*.Hα-helixtrans-77.4-50.9178.1-71.8176.6176-165.1-3.5110.2F241 S242F241-R245 PolarHBondContact O-N 3.1Å; S242-R245 PolarHBondContact O-N 3Å; S242-R245 VanDerWaalsContact O-N 3.07Å
246E85.3Confident89.9Confident135 Ų13559.9 Ų59.963%0.63129%0.285SS*.  trans-153.5129.6-174.6-169.5167.4-166.300109.7S242 Q249S242-E246 PolarHBondContact O-N 3.4Å; E246-Q249 HydrophobicContact CB-CG 4.39Å; E246-Q249 WeakPolarHBondContact O-CG 3.22Å; E246-Q249 PolarHBondContact O-NE2 3.03Å
247W86.2Confident89.9Confident85 Ų8558 Ų5832%0.32228%0.276SS..SBendtrans-153.7130.3175.5-177.4-96.7000109.7T243 L313 F342 V344 F347T243-W247 HydrophobicContact CG2-CD2 4.44Å; T243-W247 HydrophobicContact CG2-CE3 3.68Å; T243-W247 HydrophobicContact CG2-CZ3 3.99Å; W247-L313 HydrophobicContact CZ3-CD2 4.48Å; W247-F342 HydrophobicContact CH2-CB 4.15Å; W247-F342 WeakPolarHBondContact CZ2-O 3.47Å; W247-V344 HydrophobicContact CD2-CG2 3.97Å; W247-V344 HydrophobicContact CG-CG2 4.25Å; W247-V344 HydrophobicContact CZ2-CG2 4.08Å; W247-F347 HydrophobicContact CH2-CB 3.83Å; W247-F347 HydrophobicContact CH2-CD2 4.36Å; W247-F347 HydrophobicContact CH2-CG 4.11Å; W247-F347 HydrophobicContact CZ3-CB 4.02Å; W247-F347 HydrophobicContact CZ3-CD1 4.17Å; W247-F347 HydrophobicContact CZ3-CD2 4.02Å; W247-F347 AromaticContact CZ3-CG 3.81Å; W247-F347 HydrophobicContact CZ3-CG 3.81Å
248P81.2Confident89.8Confident81 Ų8158.6 Ų58.653%0.52628%0.276SS..  cis-86.2141.72.936.3-36.4000113.3V250P248-V250 VanDerWaalsContact C-N 3.29Å; P248-V250 HydrophobicContact CB-CG2 4Å; P248-V250 HydrophobicContact CG-CG2 4.42Å; P248-V250 PolarHBondContact O-N 2.86Å; P248-V250 VanDerWaalsContact O-N 3.14Å
249Q84.1Confident89.6Confident20 Ų2061.4 Ų61.49%0.09330%0.299CS..  trans-89.460.9-179.6-66.5175.95.200111.2A216 S242 E246 L313A216-Q249 HydrophobicContact CB-CB 3.79Å; S242-Q249 PolarHBondContact O-NE2 3.19Å; S242-Q249 PolarHBondContact OG-NE2 3.04Å; S242-Q249 PolarHBondContact OG-OE1 3.35Å; E246-Q249 HydrophobicContact CB-CG 4.39Å; E246-Q249 WeakPolarHBondContact O-CG 3.22Å; E246-Q249 PolarHBondContact O-NE2 3.03Å; Q249-L313 HydrophobicContact CB-CD2 4.17Å; Q249-L313 VanDerWaalsContact O-CD2 3.26Å; Q249-L313 WeakPolarHBondContact O-CD2 3.44Å
250V86.1Confident89.5Confident47 Ų4763.3 Ų63.329%0.28531%0.312SS..  trans-92.6132.2-176.2-178.10000109.3P248 S311 L313 D340P248-V250 VanDerWaalsContact C-N 3.29Å; P248-V250 HydrophobicContact CB-CG2 4Å; P248-V250 HydrophobicContact CG-CG2 4.42Å; P248-V250 PolarHBondContact O-N 2.86Å; P248-V250 VanDerWaalsContact O-N 3.14Å; V250-S311 WeakPolarHBondContact CG1-OG 3.31Å; V250-L313 HydrophobicContact CG2-CG 4.34Å; V250-D340 HydrophobicContact CG1-CB 4.3Å; V250-D340 HydrophobicContact CG2-CB 4.12Å
251H85.8Confident89.1Confident55 Ų5560.8 Ų60.826%0.25531%0.31SS..EExtended strand (participates in β ladder)trans-115.8136.5175.7-55-73.6000110.2W214 T312W214-H251 HydrophobicContact CH2-CB 3.35Å; W214-H251 HydrophobicContact CZ2-CB 3.79Å; W214-H251 HydrophobicContact CZ3-CB 3.94Å; H251-T312 PolarHBondContact N-O 3.46Å; H251-T312 PolarHBondContact O-N 3.19Å
252E88.1Confident88.8Confident149 Ų14964.3 Ų64.370%0.69633%0.331SS*.EExtended strand (participates in β ladder)trans-90.2132.6172.3-65.5-173.3170.200109.9L310E252-L310 WeakPolarHBondContact CA-O 3.34Å
253A87.3Confident88.4Confident7 Ų765.7 Ų65.76%0.05833%0.333CS..EExtended strand (participates in β ladder)trans-143.1147.3172.900000110.6W214 L310 L375 L377W214-A253 HydrophobicContact CE3-CB 4.44Å; W214-A253 HydrophobicContact CH2-CB 3.9Å; W214-A253 HydrophobicContact CZ3-CB 3.49Å; W214-A253 VanDerWaalsContact CZ3-CB 3.49Å; A253-L310 PolarHBondContact N-O 3.01Å; A253-L310 PolarHBondContact O-N 2.89Å; A253-L310 VanDerWaalsContact O-O 3.1Å; A253-L375 HydrophobicContact CB-CD1 4.1Å; A253-L377 HydrophobicContact CB-CD2 3.73Å
254S90.8Very high87.9Confident25 Ų2568.5 Ų68.518%0.17535%0.352CS..EExtended strand (participates in β ladder)trans-99.5127.9168530000110.3N376S254-N376 PolarHBondContact N-O 2.92Å; S254-N376 PolarHBondContact O-N 2.81Å; S254-N376 WeakPolarHBondContact OG-CB 3.3Å
255V92.4Very high87.2Confident1 Ų168.1 Ų68.11%0.00636%0.356CS..EExtended strand (participates in β ladder)trans-112.5119.2175.5-177.40000107.1R308 L310 L315 C373 R374 L375V255-R308 PolarHBondContact N-O 3.06Å; V255-R308 PolarHBondContact O-N 3.48Å; V255-L310 HydrophobicContact CB-CD1 4.44Å; V255-L310 HydrophobicContact CG2-CD1 4.05Å; V255-L315 HydrophobicContact CG2-CD1 3.59Å; V255-C373 HydrophobicContact CG1-CB 4.27Å; V255-R374 WeakPolarHBondContact CA-O 2.81Å; V255-L375 HydrophobicContact CG2-CD1 3.81Å
256S93.4Very high86.2Confident11 Ų1164 Ų648%0.07735%0.349CS..EExtended strand (participates in β ladder)trans-101.9138.7164.655.80000109.1D306 C373 R374S256-D306 VanDerWaalsContact CA-O 3.3Å; S256-D306 WeakPolarHBondContact CA-O 3.26Å; S256-C373 CarbonylContact O-C 3.46Å; S256-C373 WeakPolarHBondContact O-CA 3.38Å; S256-C373 WeakPolarHBondContact O-CB 3.4Å; S256-R374 PolarHBondContact N-O 3.02Å; S256-R374 PolarHBondContact O-N 3.3Å; S256-R374 WeakPolarHBondContact OG-CB 3.49Å
257Y92.8Very high85.1Confident50 Ų5064.1 Ų64.120%0.19635%0.353CS..EExtended strand (participates in β ladder)trans-139154.9-176.264.5-81.7000112.1D306 L368 A370 A372Y257-D306 WeakPolarHBondContact CD1-O 3.25Å; Y257-D306 HydrophobicContact CE1-CB 4.23Å; Y257-D306 PolarHBondContact N-O 3.04Å; Y257-D306 PolarHBondContact O-N 3.22Å; Y257-L368 HydrophobicContact CD1-CD1 4.48Å; Y257-L368 HydrophobicContact CE1-CD1 4.2Å; Y257-A370 HydrophobicContact CD2-CB 4.22Å; Y257-A370 HydrophobicContact CG-CB 4.43Å; Y257-A372 WeakPolarHBondContact CA-O 3.38Å
258I92.4Very high83.9Confident28 Ų2865.2 Ų65.214%0.14437%0.371CS..EExtended strand (participates in β ladder)trans-105.5139.8173.7-60.8-179.7000108.1E303 W305 A370 S371 A372I258-E303 HydrophobicContact CD1-CB 3.88Å; I258-E303 HydrophobicContact CD1-CG 4.07Å; I258-E303 WeakPolarHBondContact CD1-OE2 3.43Å; I258-W305 HydrophobicContact CD1-CD2 4.14Å; I258-W305 HydrophobicContact CD1-CE3 4.46Å; I258-W305 HydrophobicContact CD1-CH2 3.79Å; I258-W305 HydrophobicContact CD1-CZ2 3.41Å; I258-W305 VanDerWaalsContact CD1-CZ2 3.41Å; I258-W305 HydrophobicContact CD1-CZ3 4.3Å; I258-W305 HydrophobicContact CG1-CD2 3.81Å; I258-W305 HydrophobicContact CG1-CE3 3.87Å; I258-W305 HydrophobicContact CG1-CG 4.44Å; I258-W305 HydrophobicContact CG1-CH2 3.95Å; I258-W305 HydrophobicContact CG1-CZ2 3.9Å; I258-W305 HydrophobicContact CG1-CZ3 3.93Å; I258-A370 CarbonylContact O-C 3.57Å; I258-A370 WeakPolarHBondContact O-CA 3.39Å; I258-A370 VanDerWaalsContact O-CB 3.25Å; I258-A370 WeakPolarHBondContact O-CB 3.31Å; I258-S371 WeakPolarHBondContact CG2-OG 3.23Å; I258-S371 PolarHBondContact O-N 3.45Å; I258-A372 HydrophobicContact CB-CB 4.48Å; I258-A372 HydrophobicContact CD1-CB 4.17Å; I258-A372 HydrophobicContact CG1-CB 4.48Å; I258-A372 PolarHBondContact N-O 3.37Å
259A90.3Very high82.8Confident59 Ų5966.8 Ų66.849%0.48837%0.371SS..PPolyproline II helixtrans-54152.5176.900000112.8S371A259-S371 WeakPolarHBondContact O-CB 3.38Å; A259-S371 PolarHBondContact O-OG 2.88Å
260P90.5Very high81.3Confident44 Ų4474.4 Ų74.429%0.28641%0.407SS..PPolyproline II helixtrans-53.7146174.5-27.736.6000113D330 E369P260-D330 HydrophobicContact CB-CB 3.69Å; P260-E369 WeakPolarHBondContact CD-O 3.46Å; P260-E369 HydrophobicContact CG-CB 3.85Å
261T86.8Confident79.8Confident72 Ų7280.6 Ų80.644%0.44243%0.43SS..EExtended strand (participates in β ladder)trans-99.6134.6176.447.70000110.4R263 D330 D331T261-R263 PolarHBondContact O-N 3.43Å; T261-D330 CarbonylContact O-C 3.58Å; T261-D330 WeakPolarHBondContact O-CA 3.34Å; T261-D331 PolarHBondContact O-N 3.3Å; T261-D331 PolarHBondContact OG1-O 3.21Å
262L87.3Confident78.6Confident135 Ų13583.8 Ų83.871%0.70746%0.456SS*.EExtended strand (participates in β ladder)trans-59.3131.4175.8-73.7164.8000110.8P264 I329 D330L262-P264 WeakPolarHBondContact O-CD 3.46Å; L262-I329 HydrophobicContact CD2-CG2 3.97Å; L262-D330 VanDerWaalsContact CD2-OD1 3.31Å; L262-D330 WeakPolarHBondContact CD2-OD1 3.35Å
263R83.8Confident77.6Confident50 Ų5085.3 Ų85.319%0.18946%0.463CS..PPolyproline II helixtrans-65.7122.7178.2178.8173.3-69.1-179.10.3109.8T261 R328 I329 D331T261-R263 PolarHBondContact O-N 3.43Å; R263-R328 WeakPolarHBondContact CD-O 3.4Å; R263-R328 PolarHBondContact NE-O 3.41Å; R263-R328 PolarHBondContact NH1-O 2.9Å; R263-I329 WeakPolarHBondContact CB-O 3.32Å; R263-I329 PolarHBondContact N-O 3.1Å; R263-D331 IonicContact CZ-OD1 2.81Å; R263-D331 VanDerWaalsContact CZ-OD1 3.28Å; R263-D331 IonicContact NE-OD1 2.64Å; R263-D331 PolarHBondContact NE-OD1 2.97Å; R263-D331 IonicContact NH2-OD1 3.71Å; R263-D331 PolarHBondContact NH2-OD1 3.13Å
264P82.1Confident76.8Confident75 Ų7594.1 Ų94.149%0.48750%0.495SS..PPolyproline II helixtrans-68.1143170.626.7-31.5000109.5L262 D266L262-P264 WeakPolarHBondContact O-CD 3.46Å; P264-D266 PolarHBondContact O-N 3.42Å
265P76.3Confident76.4Confident100 Ų10095.4 Ų95.465%0.64950%0.502SS*.PPolyproline II helixtrans-57.1140.8-178.623.7-33.3000110.8L267P265-L267 HydrophobicContact CG-CD1 4.43Å; P265-L267 HydrophobicContact CG-CG 4.4Å; P265-L267 PolarHBondContact O-N 2.83Å
266D68Low76.2Confident116 Ų116101.7 Ų101.762%0.6254%0.536SS*.  trans-6775.4175.7-70.1-51.2000110.4P264 R404P264-D266 PolarHBondContact O-N 3.42Å; D266-R404 IonicContact OD1-CZ 2.81Å; D266-R404 IonicContact OD1-NH1 2.79Å; D266-R404 PolarHBondContact OD1-NH1 3.37Å
267L62.5Low76Confident137 Ų137107.3 Ų107.372%0.71756%0.564SS**  trans-82.4134.4171.5-68172.2000108.7P265 E269P265-L267 HydrophobicContact CG-CD1 4.43Å; P265-L267 HydrophobicContact CG-CG 4.4Å; P265-L267 PolarHBondContact O-N 2.83Å; L267-E269 PolarHBondContact O-N 3.27Å
268P60.9Low75.7Confident107 Ų107111.9 Ų111.970%0.69559%0.589SS**  trans-57.8132.8173.924-32000108.9Q270P268-Q270 PolarHBondContact O-N 3.46Å
269E58.2Low75.5Confident115 Ų115117 Ų11754%0.53761%0.607SS.*  trans-55.699.5175.8-78.8-176.7-164.400109.4K149 L267 K271 R407K149-E269 IonicContact NZ-OE1 3.23Å; K149-E269 IonicContact NZ-OE2 3.16Å; K149-E269 PolarHBondContact NZ-OE2 3.08Å; L267-E269 PolarHBondContact O-N 3.27Å; E269-K271 PolarHBondContact O-N 2.62Å; E269-R407 IonicContact OE1-NH2 2.69Å
270Q52.4Low75.3Confident179 Ų179118.7 Ų118.784%0.83660%0.601SS**  trans-70.4101.3168-71.1-177.95.400106.6P268 P272P268-Q270 PolarHBondContact O-N 3.46Å; Q270-P272 VanDerWaalsContact O-CD 3.28Å; Q270-P272 WeakPolarHBondContact O-CD 3.15Å
271K54.7Low75.2Confident177 Ų177120.4 Ų120.477%0.7761%0.607SS**  trans-54.4118.1164.6-78.4-176.2-179.6176.90106E269 Q273E269-K271 PolarHBondContact O-N 2.62Å; K271-Q273 PolarHBondContact O-N 3.46Å
272P59.6Low75.3Confident122 Ų122119.7 Ų119.779%0.79261%0.608SS**  trans-57.6115.7178.522.2-31.5000106.8Q270 R274Q270-P272 VanDerWaalsContact O-CD 3.28Å; Q270-P272 WeakPolarHBondContact O-CD 3.15Å; P272-R274 PolarHBondContact O-N 2.85Å
273Q67.1Low75.1Confident182 Ų182120.1 Ų120.185%0.8560%0.601SS**  trans-56.4130-179.1-76.2-170.9-4.300107.8K271 P275K271-Q273 PolarHBondContact O-N 3.46Å; Q273-P275 WeakPolarHBondContact O-CD 3.42Å
274R71.6Confident75.2Confident192 Ų192127.6 Ų127.673%0.72563%0.629SS**  trans-57.5113.7-178.3-163.9-178.1-164.2-167.11.3107P272 R280P272-R274 PolarHBondContact O-N 2.85Å; R274-R280 VanDerWaalsContact CG-CZ 3.47Å; R274-R280 VanDerWaalsContact CZ-NH1 3.3Å
275P81.1Confident75.6Confident51 Ų51127.8 Ų127.833%0.33163%0.625SS.*  trans-65.2150.2-17524.7-33.5000110Q273 Y279 R280Q273-P275 WeakPolarHBondContact O-CD 3.42Å; P275-Y279 HydrophobicContact CB-CD1 3.43Å; P275-Y279 VanDerWaalsContact CB-CD1 3.43Å; P275-Y279 HydrophobicContact CB-CE1 4.01Å; P275-Y279 HydrophobicContact CB-CG 4.05Å; P275-Y279 HydrophobicContact CG-CD1 3.83Å; P275-Y279 HydrophobicContact CG-CE1 4.18Å; P275-R280 HydrophobicContact CG-CG 4.22Å; P275-R280 VanDerWaalsContact O-CD 3.3Å; P275-R280 WeakPolarHBondContact O-CD 3.31Å; P275-R280 PolarHBondContact O-NE 3.43Å
276N89.6Confident76.1Confident134 Ų134129.5 Ų129.572%0.71762%0.623SS**  trans-51.8152.5-177.6-70.5-13.8000112.6M278 Y279 R280N276-M278 VanDerWaalsContact C-N 3.27Å; N276-M278 PolarHBondContact O-N 3.11Å; N276-Y279 WeakPolarHBondContact O-CB 3.5Å; N276-Y279 PolarHBondContact O-N 3.45Å; N276-R280 PolarHBondContact O-N 3.22Å; N276-R280 VanDerWaalsContact O-N 3.13Å
277L87.8Confident77Confident129 Ų129127.2 Ų127.268%0.67561%0.611SS**Hα-helixtrans-52.5-44.2-177.5-17080.2000112.3Y279 R280 I281L277-Y279 VanDerWaalsContact C-N 3.35Å; L277-Y279 PolarHBondContact O-N 3.4Å; L277-R280 WeakPolarHBondContact O-CB 3.37Å; L277-R280 PolarHBondContact O-N 3.39Å; L277-R280 VanDerWaalsContact O-N 3.12Å; L277-I281 HydrophobicContact CD2-CD1 4.22Å; L277-I281 HydrophobicContact CG-CD1 4Å; L277-I281 WeakPolarHBondContact O-CG1 3.48Å; L277-I281 PolarHBondContact O-N 3.36Å
278M88Confident78.2Confident145 Ų145129.5 Ų129.571%0.71461%0.611SS**Hα-helixtrans-61.5-40.4178.5-67.3-60.1-7800112.5N276 R280 I281 A282N276-M278 VanDerWaalsContact C-N 3.27Å; N276-M278 PolarHBondContact O-N 3.11Å; M278-R280 VanDerWaalsContact C-N 3.3Å; M278-R280 PolarHBondContact O-N 3.06Å; M278-I281 PolarHBondContact O-N 3.13Å; M278-A282 VanDerWaalsContact O-CB 3.25Å; M278-A282 WeakPolarHBondContact O-CB 3.46Å; M278-A282 PolarHBondContact O-N 2.95Å
279Y86.3Confident79.6Confident135 Ų135132.7 Ų132.753%0.52961%0.609SS.*Hα-helixtrans-64.4-36.2175.9-178.1-88.6000111.5P275 N276 L277 R283P275-Y279 HydrophobicContact CB-CD1 3.43Å; P275-Y279 VanDerWaalsContact CB-CD1 3.43Å; P275-Y279 HydrophobicContact CB-CE1 4.01Å; P275-Y279 HydrophobicContact CB-CG 4.05Å; P275-Y279 HydrophobicContact CG-CD1 3.83Å; P275-Y279 HydrophobicContact CG-CE1 4.18Å; N276-Y279 WeakPolarHBondContact O-CB 3.5Å; N276-Y279 PolarHBondContact O-N 3.45Å; L277-Y279 VanDerWaalsContact C-N 3.35Å; L277-Y279 PolarHBondContact O-N 3.4Å; Y279-R283 WeakPolarHBondContact O-CB 3.42Å; Y279-R283 PolarHBondContact O-N 2.92Å
280R86.8Confident81Confident95 Ų95135.6 Ų135.636%0.35862%0.617SS.*Hα-helixtrans-69.6-41.9177-67.3163.3160.7-110.8-27.2112.3R274 P275 N276 L277 M278 R283 R284R274-R280 VanDerWaalsContact CG-CZ 3.47Å; R274-R280 VanDerWaalsContact CZ-NH1 3.3Å; P275-R280 HydrophobicContact CG-CG 4.22Å; P275-R280 VanDerWaalsContact O-CD 3.3Å; P275-R280 WeakPolarHBondContact O-CD 3.31Å; P275-R280 PolarHBondContact O-NE 3.43Å; N276-R280 PolarHBondContact O-N 3.22Å; N276-R280 VanDerWaalsContact O-N 3.13Å; L277-R280 WeakPolarHBondContact O-CB 3.37Å; L277-R280 PolarHBondContact O-N 3.39Å; L277-R280 VanDerWaalsContact O-N 3.12Å; M278-R280 VanDerWaalsContact C-N 3.3Å; M278-R280 PolarHBondContact O-N 3.06Å; R280-R283 PolarHBondContact O-N 3.21Å; R280-R284 PolarHBondContact O-N 3.18Å
281I89Confident82.4Confident81 Ų81131.4 Ų131.442%0.41561%0.605SS.*Hα-helixtrans-64.4-48.1175.6-65.7167.3000109.4L277 M278 R283 R284 L285L277-I281 HydrophobicContact CD2-CD1 4.22Å; L277-I281 HydrophobicContact CG-CD1 4Å; L277-I281 WeakPolarHBondContact O-CG1 3.48Å; L277-I281 PolarHBondContact O-N 3.36Å; M278-I281 PolarHBondContact O-N 3.13Å; I281-R283 VanDerWaalsContact C-N 3.34Å; I281-R283 PolarHBondContact O-N 3.33Å; I281-R284 PolarHBondContact O-N 2.85Å; I281-L285 HydrophobicContact CG2-CD1 4Å; I281-L285 WeakPolarHBondContact O-CG 3.24Å; I281-L285 PolarHBondContact O-N 2.86Å
282A87.6Confident83.4Confident56 Ų56127.5 Ų127.546%0.46360%0.597SS.*Hα-helixtrans-59.6-42175.700000112.1M278 L285 K286M278-A282 VanDerWaalsContact O-CB 3.25Å; M278-A282 WeakPolarHBondContact O-CB 3.46Å; M278-A282 PolarHBondContact O-N 2.95Å; A282-L285 PolarHBondContact O-N 3.16Å; A282-K286 VanDerWaalsContact O-CB 3.23Å; A282-K286 WeakPolarHBondContact O-CB 3.48Å; A282-K286 PolarHBondContact O-N 2.69Å
283R84.7Confident84.3Confident145 Ų145128.9 Ų128.955%0.54760%0.597SS.*Hα-helixtrans-66-37.8175.8-170.8175.9-178.3-175.70.4112.2Y279 R280 I281 N287Y279-R283 WeakPolarHBondContact O-CB 3.42Å; Y279-R283 PolarHBondContact O-N 2.92Å; R280-R283 PolarHBondContact O-N 3.21Å; I281-R283 VanDerWaalsContact C-N 3.34Å; I281-R283 PolarHBondContact O-N 3.33Å; R283-N287 VanDerWaalsContact O-CB 3.3Å; R283-N287 WeakPolarHBondContact O-CB 3.35Å; R283-N287 PolarHBondContact O-N 3.08Å; R283-N287 PolarHBondContact O-OD1 3.12Å
284R85.8Confident84.6Confident207 Ų207125.8 Ų125.878%0.78159%0.592SS**Hα-helixtrans-64.6-46.5173.1-95.5-173.7-171.7166.21.3112.1R280 I281 K286 N287 Y288R280-R284 PolarHBondContact O-N 3.18Å; I281-R284 PolarHBondContact O-N 2.85Å; R284-K286 VanDerWaalsContact C-N 3.34Å; R284-N287 PolarHBondContact O-N 3.47Å; R284-Y288 WeakPolarHBondContact O-CB 3.21Å; R284-Y288 PolarHBondContact O-N 3.35Å
285L89.5Confident84.2Confident78 Ų78124.7 Ų124.741%0.40860%0.595SS.*Hα-helixtrans-62.6-43.2176.6-73.3167.2000111.1I281 A282 N287 Y288 W289I281-L285 HydrophobicContact CG2-CD1 4Å; I281-L285 WeakPolarHBondContact O-CG 3.24Å; I281-L285 PolarHBondContact O-N 2.86Å; A282-L285 PolarHBondContact O-N 3.16Å; L285-N287 PolarHBondContact O-N 3.29Å; L285-Y288 WeakPolarHBondContact O-CB 3.49Å; L285-Y288 PolarHBondContact O-N 2.79Å; L285-W289 HydrophobicContact CB-CE3 4.35Å; L285-W289 HydrophobicContact CB-CZ3 4.11Å; L285-W289 HydrophobicContact CD2-CH2 4.38Å; L285-W289 PolarHBondContact O-N 3.33Å
286K86.8Confident83.2Confident136 Ų136126.9 Ų126.959%0.59161%0.612SS**Hα-helixtrans-60.2-46174.3-172.2178.3-179.6-179.20111.5A282 R284 Y288 W289 Y290A282-K286 VanDerWaalsContact O-CB 3.23Å; A282-K286 WeakPolarHBondContact O-CB 3.48Å; A282-K286 PolarHBondContact O-N 2.69Å; R284-K286 VanDerWaalsContact C-N 3.34Å; K286-Y288 VanDerWaalsContact C-N 3.27Å; K286-Y288 PolarHBondContact O-N 2.93Å; K286-W289 PolarHBondContact O-N 3.31Å; K286-Y290 CarbonylContact O-C 3.57Å; K286-Y290 WeakPolarHBondContact O-CA 3.29Å; K286-Y290 WeakPolarHBondContact O-CB 3.42Å; K286-Y290 PolarHBondContact O-N 3.34Å
287N87.4Confident81.8Confident69 Ų69126 Ų12637%0.36961%0.614SS.*Hα-helixtrans-69.5-23.4177.6-71.35.3000113R283 R284 L285 Y290 P291R283-N287 VanDerWaalsContact O-CB 3.3Å; R283-N287 WeakPolarHBondContact O-CB 3.35Å; R283-N287 PolarHBondContact O-N 3.08Å; R283-N287 PolarHBondContact O-OD1 3.12Å; R284-N287 PolarHBondContact O-N 3.47Å; L285-N287 PolarHBondContact O-N 3.29Å; N287-Y290 CarbonylContact O-C 3.43Å; N287-P291 WeakPolarHBondContact O-CA 3.36Å
288Y87.4Confident80.3Confident184 Ų184128.2 Ų128.272%0.72262%0.618SS**Hα-helixtrans-75-43174.4-179.2-97.7000111.4R284 L285 K286R284-Y288 WeakPolarHBondContact O-CB 3.21Å; R284-Y288 PolarHBondContact O-N 3.35Å; L285-Y288 WeakPolarHBondContact O-CB 3.49Å; L285-Y288 PolarHBondContact O-N 2.79Å; K286-Y288 VanDerWaalsContact C-N 3.27Å; K286-Y288 PolarHBondContact O-N 2.93Å
289W89.8Confident78.7Confident175 Ų175127.9 Ų127.966%0.66362%0.624SS**Hα-helixtrans-82-31.3178.1-68-40.1000114L285 K286L285-W289 HydrophobicContact CB-CE3 4.35Å; L285-W289 HydrophobicContact CB-CZ3 4.11Å; L285-W289 HydrophobicContact CD2-CH2 4.38Å; L285-W289 PolarHBondContact O-N 3.33Å; K286-W289 PolarHBondContact O-N 3.31Å
290Y87.2Confident77.5Confident176 Ų176129.6 Ų129.669%0.6964%0.637SS**SBendtrans-131.379177.6-61.5-81.3000108.1K286 N287K286-Y290 CarbonylContact O-C 3.57Å; K286-Y290 WeakPolarHBondContact O-CA 3.29Å; K286-Y290 WeakPolarHBondContact O-CB 3.42Å; K286-Y290 PolarHBondContact O-N 3.34Å; N287-Y290 CarbonylContact O-C 3.43Å
291P81.9Confident76.5Confident90 Ų90133.5 Ų133.558%0.58466%0.659SS**PPolyproline II helixtrans-53.3132.7173.221.5-31.3000108.7N287 I293N287-P291 WeakPolarHBondContact O-CA 3.36Å; P291-I293 PolarHBondContact O-N 3.06Å
292P75.9Confident75.7Confident95 Ų95135.5 Ų135.562%0.61768%0.677SS**PPolyproline II helixtrans-57120.5175.923.2-30.8000107.2
293I79.5Confident75.3Confident152 Ų152137 Ų13778%0.77967%0.674SS**PPolyproline II helixtrans-56.1126.1170-58.2168.3000104.8P291 E295P291-I293 PolarHBondContact O-N 3.06Å; I293-E295 PolarHBondContact O-N 3.22Å
294P73.3Confident75.3Confident116 Ų116139.7 Ų139.775%0.75369%0.685SS**PPolyproline II helixtrans-50.4119.2173.4-21.329.9000107S296P294-S296 PolarHBondContact O-N 2.9Å
295E63.6Low75.4Confident169 Ų169132.5 Ų132.579%0.7966%0.657SS**PPolyproline II helixtrans-53.1121.1171.9-80-178.417200105.9I293I293-E295 PolarHBondContact O-N 3.22Å
296S58.9Low75.4Confident98 Ų98132.1 Ų132.169%0.68566%0.656SS**PPolyproline II helixtrans-49.9132172.248.20000106.9P294 K298P294-S296 PolarHBondContact O-N 2.9Å; S296-K298 PolarHBondContact O-N 3.45Å
297P59.6Low75.6Confident116 Ų116132 Ų13275%0.75366%0.657SS**PPolyproline II helixtrans-49.2120.2-178.119.8-31.1000107.4V299P297-V299 PolarHBondContact O-N 2.91Å
298K56.8Low75.7Confident174 Ų174133.5 Ų133.576%0.75766%0.658SS**PPolyproline II helixtrans-53.3119.6173.5-73.9179.1179.3175.90105.1S296 E300S296-K298 PolarHBondContact O-N 3.45Å; K298-E300 PolarHBondContact O-N 3.22Å
299V55Low75.8Confident139 Ų139130.1 Ų130.184%0.84266%0.657SS**  trans-6697173179.90000104.4P297 E301P297-V299 PolarHBondContact O-N 2.91Å; V299-E301 PolarHBondContact O-N 3.46Å
300E61Low75.6Confident171 Ų171122.9 Ų122.980%0.79963%0.631SS**PPolyproline II helixtrans-56.8123.4173.8-68.8177.7173.600106.4K298K298-E300 PolarHBondContact O-N 3.22Å
301E66.4Low75.7Confident176 Ų176116.9 Ų116.982%0.82261%0.614SS**PPolyproline II helixtrans-54.9135.9174.2-68.8-178.7173.300108V299 E303V299-E301 PolarHBondContact O-N 3.46Å; E301-E303 PolarHBondContact O-N 3.42Å
302P71.2Confident76Confident123 Ų123112.6 Ų112.680%0.79959%0.587SS**PPolyproline II helixtrans-58.8119.4-178.123.3-32.1000109.1R304P302-R304 PolarHBondContact O-N 2.93Å
303E79.2Confident76.6Confident87 Ų87108.1 Ų108.141%0.40756%0.558SS.*PPolyproline II helixtrans-52.4125.3175-69.2175.1170.600108.9I258 E301 W305 R400I258-E303 HydrophobicContact CD1-CB 3.88Å; I258-E303 HydrophobicContact CD1-CG 4.07Å; I258-E303 WeakPolarHBondContact CD1-OE2 3.43Å; E301-E303 PolarHBondContact O-N 3.42Å; E303-W305 PolarHBondContact O-N 3.34Å; E303-W305 WeakPolarHBondContact OE2-CZ2 3.48Å; E303-W305 PolarHBondContact OE2-NE1 3.01Å; E303-R400 IonicContact OE1-CZ 2.62Å; E303-R400 IonicContact OE1-NH1 3.53Å; E303-R400 IonicContact OE1-NH2 3.37Å; E303-R400 PolarHBondContact OE1-NH2 3.35Å; E303-R400 IonicContact OE2-NH2 3.69Å; E303-R400 PolarHBondContact OE2-NH2 2.91Å
304R84.1Confident77.2Confident202 Ų202100.9 Ų100.976%0.76252%0.52SS*.  trans-85108.3178.6-173.6175.7176.4169.71.1109.2P302P302-R304 PolarHBondContact O-N 2.93Å
305W89Confident78.1Confident56 Ų5695.3 Ų95.321%0.21249%0.485CS..PPolyproline II helixtrans-94.9123.3177.5-68.384.4000110.1I258 E303 A372 R374I258-W305 HydrophobicContact CD1-CD2 4.14Å; I258-W305 HydrophobicContact CD1-CE3 4.46Å; I258-W305 HydrophobicContact CD1-CH2 3.79Å; I258-W305 HydrophobicContact CD1-CZ2 3.41Å; I258-W305 VanDerWaalsContact CD1-CZ2 3.41Å; I258-W305 HydrophobicContact CD1-CZ3 4.3Å; I258-W305 HydrophobicContact CG1-CD2 3.81Å; I258-W305 HydrophobicContact CG1-CE3 3.87Å; I258-W305 HydrophobicContact CG1-CG 4.44Å; I258-W305 HydrophobicContact CG1-CH2 3.95Å; I258-W305 HydrophobicContact CG1-CZ2 3.9Å; I258-W305 HydrophobicContact CG1-CZ3 3.93Å; E303-W305 PolarHBondContact O-N 3.34Å; E303-W305 WeakPolarHBondContact OE2-CZ2 3.48Å; E303-W305 PolarHBondContact OE2-NE1 3.01Å; W305-A372 HydrophobicContact CH2-CB 4.05Å; W305-R374 HydrophobicContact CE3-CG 4.33Å; W305-R374 HydrophobicContact CH2-CG 3.62Å; W305-R374 HydrophobicContact CZ2-CG 4.29Å; W305-R374 VanDerWaalsContact CZ2-NE 3.31Å; W305-R374 HydrophobicContact CZ3-CB 4.2Å; W305-R374 HydrophobicContact CZ3-CG 3.64Å
306D88.6Confident79.6Confident71 Ų7187.3 Ų87.338%0.3845%0.447SS..EExtended strand (participates in β ladder)trans-95.4118.4171.1-67.8-37.6000108.7S256 Y257S256-D306 VanDerWaalsContact CA-O 3.3Å; S256-D306 WeakPolarHBondContact CA-O 3.26Å; Y257-D306 WeakPolarHBondContact CD1-O 3.25Å; Y257-D306 HydrophobicContact CE1-CB 4.23Å; Y257-D306 PolarHBondContact N-O 3.04Å; Y257-D306 PolarHBondContact O-N 3.22Å
307E91.4Very high81.3Confident132 Ų13282.6 Ų82.662%0.61741%0.414SS*.EExtended strand (participates in β ladder)trans-93.7137.6-177.7-172.1172.2-166.200111.7
308R89.6Confident82.9Confident101 Ų10177.7 Ų77.738%0.38138%0.381SS..EExtended strand (participates in β ladder)trans-139121.3176.5-159.6174.7-175.1174.31.3110.4V255 L310V255-R308 PolarHBondContact N-O 3.06Å; V255-R308 PolarHBondContact O-N 3.48Å; R308-L310 HydrophobicContact CG-CD2 3.98Å; R308-L310 HydrophobicContact CG-CG 4.35Å
309T88.8Confident84.6Confident114 Ų11470 Ų7070%0.69935%0.349SS*.EExtended strand (participates in β ladder)trans-82.5128.5171.252.40000109.6
310L87.6Confident86.3Confident22 Ų2264.6 Ų64.612%0.11531%0.314CS..EExtended strand (participates in β ladder)trans-129.9137.6-175.3-61.2172000109.9E252 A253 V255 R308 T312 V337E252-L310 WeakPolarHBondContact CA-O 3.34Å; A253-L310 PolarHBondContact N-O 3.01Å; A253-L310 PolarHBondContact O-N 2.89Å; A253-L310 VanDerWaalsContact O-O 3.1Å; V255-L310 HydrophobicContact CB-CD1 4.44Å; V255-L310 HydrophobicContact CG2-CD1 4.05Å; R308-L310 HydrophobicContact CG-CD2 3.98Å; R308-L310 HydrophobicContact CG-CG 4.35Å; L310-T312 HydrophobicContact CB-CG2 3.71Å; L310-V337 HydrophobicContact CD1-CG1 4.4Å; L310-V337 HydrophobicContact CD1-CG2 3.76Å
311S87.9Confident87.7Confident50 Ų5056.7 Ų56.735%0.3528%0.278SS..EExtended strand (participates in β ladder)trans-111.7116.7172-169.60000107.7V250V250-S311 WeakPolarHBondContact CG1-OG 3.31Å
312T88.6Confident88.7Confident1 Ų153 Ų531%0.00626%0.259CS..EExtended strand (participates in β ladder)trans-147.1150.4-162.379.50000111.8H251 L310 V337 E338H251-T312 PolarHBondContact N-O 3.46Å; H251-T312 PolarHBondContact O-N 3.19Å; L310-T312 HydrophobicContact CB-CG2 3.71Å; T312-V337 HydrophobicContact CG2-CB 4.42Å; T312-V337 HydrophobicContact CG2-CG1 3.17Å; T312-E338 WeakPolarHBondContact CB-O 3.47Å
313L89.4Confident89.5Confident0 Ų048 Ų480%023%0.225CC..SBendtrans-79.4-35.6170.1-90.3156.1000112.3G215 A216 W247 Q249 V250 F342G215-L313 CarbonylContact C-O 3.47Å; G215-L313 WeakPolarHBondContact CA-O 3.26Å; A216-L313 HydrophobicContact CB-CD2 3.99Å; A216-L313 PolarHBondContact N-O 3.46Å; W247-L313 HydrophobicContact CZ3-CD2 4.48Å; Q249-L313 HydrophobicContact CB-CD2 4.17Å; Q249-L313 VanDerWaalsContact O-CD2 3.26Å; Q249-L313 WeakPolarHBondContact O-CD2 3.44Å; V250-L313 HydrophobicContact CG2-CG 4.34Å; L313-F342 HydrophobicContact CD1-CB 3.77Å; L313-F342 HydrophobicContact CD1-CD2 3.39Å; L313-F342 HydrophobicContact CD1-CE2 4.27Å; L313-F342 HydrophobicContact CD1-CG 3.87Å
314E91.4Very high89.9Confident0 Ų044.9 Ų44.90%021%0.213CC..EExtended strand (participates in β ladder)trans-150.4136.2175.1-180-178.4-154.300110.5R213 W214 F217 E338 K354R213-E314 IonicContact CZ-OE1 3.89Å; R213-E314 IonicContact NE-OE1 3.4Å; R213-E314 PolarHBondContact NE-OE1 3.03Å; R213-E314 IonicContact NH2-OE1 2.82Å; R213-E314 PolarHBondContact NH2-OE1 3.26Å; R213-E314 IonicContact NH2-OE2 3.5Å; W214-E314 CarbonylContact O-C 3.56Å; W214-E314 VanDerWaalsContact O-CA 3.32Å; W214-E314 WeakPolarHBondContact O-CA 3.3Å; W214-E314 WeakPolarHBondContact O-CG 3.24Å; F217-E314 WeakPolarHBondContact CB-OE2 3.25Å; F217-E314 HydrophobicContact CD2-CB 3.78Å; F217-E314 HydrophobicContact CD2-CG 4.48Å; F217-E314 WeakPolarHBondContact CD2-OE2 3.4Å; E314-E338 HydrophobicContact CB-CG 4.48Å; E314-E338 PolarHBondContact O-N 3.39Å; E314-K354 WeakPolarHBondContact OE2-CD 3.48Å; E314-K354 WeakPolarHBondContact OE2-CE 3.46Å; E314-K354 IonicContact OE2-NZ 3.54Å; E314-K354 PolarHBondContact OE2-NZ 2.99Å
315L92.9Very high90Very high0 Ų036.4 Ų36.40%018%0.183CC..EExtended strand (participates in β ladder)trans-114.5138.3170.8178.2146.1000108.7W214 V255 I317 V337 L375W214-L315 HydrophobicContact CE3-CB 4.15Å; W214-L315 PolarHBondContact N-O 3.14Å; W214-L315 PolarHBondContact O-N 3.12Å; W214-L315 VanDerWaalsContact O-O 3.14Å; V255-L315 HydrophobicContact CG2-CD1 3.59Å; L315-I317 HydrophobicContact CD2-CD1 4.18Å; L315-I317 HydrophobicContact CD2-CG1 4.1Å; L315-V337 HydrophobicContact CD1-CG2 4.12Å; L315-V337 HydrophobicContact CG-CG2 4.27Å; L315-L375 HydrophobicContact CD1-CD1 3.81Å; L315-L375 HydrophobicContact CD2-CD1 4.01Å; L315-L375 HydrophobicContact CD2-CD2 3.98Å
316S93.3Very high89.8Confident0 Ų037.2 Ų37.20%019%0.189CC..EExtended strand (participates in β ladder)trans-137.3146.1169.975.60000111.6L212 Q318 V335 C336 F361L212-S316 CarbonylContact O-C 3.6Å; L212-S316 WeakPolarHBondContact O-CA 3.1Å; L212-S316 WeakPolarHBondContact O-CB 3.35Å; S316-Q318 PolarHBondContact OG-NE2 3.06Å; S316-V335 CarbonylContact O-C 3.58Å; S316-V335 WeakPolarHBondContact O-CA 3.45Å; S316-C336 PolarHBondContact N-O 3.5Å; S316-C336 PolarHBondContact O-N 2.82Å; S316-C336 WeakPolarHBondContact OG-CB 3.02Å; S316-F361 VanDerWaalsContact OG-CE2 3.29Å; S316-F361 WeakPolarHBondContact OG-CE2 3.45Å; S316-F361 WeakPolarHBondContact OG-CZ 3.4Å
317I94.9Very high89.4Confident0 Ų039.5 Ų39.50%021%0.206CC..EExtended strand (participates in β ladder)trans-119.9114174.5-63.6162.2000105.9L196 G211 L212 L315 L333 V335 C373 V399L196-I317 HydrophobicContact CD1-CG2 4.48Å; G211-I317 CarbonylContact C-O 3.51Å; G211-I317 WeakPolarHBondContact CA-O 2.67Å; L212-I317 HydrophobicContact CD2-CD1 4.44Å; L212-I317 PolarHBondContact N-O 3.1Å; L212-I317 PolarHBondContact O-N 3.44Å; L315-I317 HydrophobicContact CD2-CD1 4.18Å; L315-I317 HydrophobicContact CD2-CG1 4.1Å; I317-L333 HydrophobicContact CG2-CD1 4Å; I317-L333 HydrophobicContact CG2-CD2 4.34Å; I317-V335 HydrophobicContact CG1-CG1 4.38Å; I317-V335 HydrophobicContact CG1-CG2 4.33Å; I317-C373 VanDerWaalsContact CD1-SG 3.55Å; I317-V399 HydrophobicContact CD1-CG2 4.03Å; I317-V399 HydrophobicContact CG2-CB 4.45Å; I317-V399 HydrophobicContact CG2-CG1 3.89Å
318Q93.9Very high89Confident12 Ų1235.5 Ų35.56%0.05619%0.186CC..EExtended strand (participates in β ladder)trans-127.2149.4-169-58.8-175.3-9.400111.4I210 S316 L334 T359I210-Q318 CarbonylContact O-C 3.51Å; I210-Q318 VanDerWaalsContact O-CA 3.29Å; I210-Q318 WeakPolarHBondContact O-CA 3.34Å; S316-Q318 PolarHBondContact OG-NE2 3.06Å; Q318-L334 PolarHBondContact N-O 3.43Å; Q318-L334 PolarHBondContact O-N 3.49Å; Q318-T359 VanDerWaalsContact OE1-CB 3.25Å
319T93.3Very high88.8Confident13 Ų1337.1 Ų37.18%0.0820%0.2CC..  trans-75.1163.9163.164.20000109.6L196 L209 I210 N321 L401L196-T319 HydrophobicContact CD1-CG2 3.74Å; L196-T319 HydrophobicContact CD2-CG2 4.06Å; L196-T319 HydrophobicContact CG-CG2 3.48Å; L196-T319 VanDerWaalsContact CG-CG2 3.48Å; L209-T319 WeakPolarHBondContact O-CB 3.47Å; L209-T319 VanDerWaalsContact O-CG2 3.25Å; L209-T319 WeakPolarHBondContact O-CG2 3.35Å; L209-T319 PolarHBondContact O-OG1 3.18Å; I210-T319 PolarHBondContact O-N 2.96Å; I210-T319 PolarHBondContact O-OG1 3.29Å; T319-N321 PolarHBondContact O-N 3.49Å; T319-N321 WeakPolarHBondContact OG1-CB 3.32Å; T319-N321 VanDerWaalsContact OG1-CG 3.32Å; T319-N321 PolarHBondContact OG1-N 2.79Å; T319-N321 PolarHBondContact OG1-ND2 2.86Å; T319-N321 VanDerWaalsContact OG1-ND2 3.16Å; T319-L401 HydrophobicContact CG2-CD1 4.4Å
320Q89.8Confident88.8Confident25 Ų2534 Ų3412%0.11718%0.179CC..SBendtrans-96.330.1171.5-60.5179.8-10.200111.2K322 R328 S332 L334Q320-K322 PolarHBondContact O-N 3.04Å; Q320-K322 VanDerWaalsContact O-N 3.17Å; Q320-R328 PolarHBondContact O-NH1 3.04Å; Q320-R328 PolarHBondContact O-NH2 3.21Å; Q320-R328 VanDerWaalsContact OE1-NH1 3.09Å; Q320-S332 PolarHBondContact NE2-OG 3.4Å; Q320-L334 HydrophobicContact CG-CB 4.42Å
321N90.6Very high88.9Confident5 Ų533 Ų333%0.02717%0.174CC..THydrogen-bonded Turntrans-71-4.3-177.9-74.3-22.3000113.7S166 D194 L209 T319 N323 P324S166-N321 VanDerWaalsContact CB-O 3.3Å; S166-N321 WeakPolarHBondContact CB-O 3.22Å; S166-N321 PolarHBondContact OG-O 3.37Å; S166-N321 VanDerWaalsContact OG-O 3.04Å; D194-N321 PolarHBondContact N-OD1 3.25Å; D194-N321 PolarHBondContact O-ND2 3.4Å; L209-N321 PolarHBondContact O-ND2 2.99Å; T319-N321 PolarHBondContact O-N 3.49Å; T319-N321 WeakPolarHBondContact OG1-CB 3.32Å; T319-N321 VanDerWaalsContact OG1-CG 3.32Å; T319-N321 PolarHBondContact OG1-N 2.79Å; T319-N321 PolarHBondContact OG1-ND2 2.86Å; T319-N321 VanDerWaalsContact OG1-ND2 3.16Å; N321-N323 PolarHBondContact O-N 2.93Å; N321-P324 WeakPolarHBondContact O-CD 3.45Å
322K87.4Confident89.1Confident99 Ų9930.7 Ų30.743%0.4316%0.158SC..THydrogen-bonded Turntrans-52.2-45.4173.8-84.3-158.7173.7-171.90112.4S166 Q320 D357 T359S166-K322 VanDerWaalsContact OG-CA 3.26Å; S166-K322 WeakPolarHBondContact OG-CA 3.29Å; S166-K322 PolarHBondContact OG-O 3.11Å; Q320-K322 PolarHBondContact O-N 3.04Å; Q320-K322 VanDerWaalsContact O-N 3.17Å; K322-D357 IonicContact NZ-OD1 2.7Å; K322-D357 PolarHBondContact NZ-OD1 2.98Å; K322-D357 IonicContact NZ-OD2 2.84Å; K322-D357 PolarHBondContact NZ-OD2 3.34Å; K322-T359 WeakPolarHBondContact CE-OG1 3.29Å; K322-T359 PolarHBondContact NZ-OG1 3.48Å
323N88.9Confident89.4Confident17 Ų1730.7 Ų30.79%0.09116%0.158CC..SBendtrans-124.690.5172.7-171.9-16.3000108.7N321 V325 Q326 R328 L418 V422N321-N323 PolarHBondContact O-N 2.93Å; N323-V325 PolarHBondContact O-N 3.27Å; N323-V325 PolarHBondContact OD1-N 3.11Å; N323-Q326 HydrophobicContact CB-CB 4.34Å; N323-Q326 PolarHBondContact OD1-N 3.38Å; N323-R328 PolarHBondContact O-NH2 3.49Å; N323-R328 VanDerWaalsContact O-NH2 3.12Å; N323-L418 HydrophobicContact CB-CD2 4.25Å; N323-L418 PolarHBondContact ND2-O 3.35Å; N323-V422 WeakPolarHBondContact ND2-CG2 3.32Å
324P86.1Confident89.6Confident23 Ų2332.1 Ų32.115%0.14917%0.165CC..THydrogen-bonded Turntrans-76.2-12-177.432.7-36.7000113.1V191 L193 N321V191-P324 HydrophobicContact CG1-CB 3.64Å; V191-P324 HydrophobicContact CG1-CG 3.8Å; L193-P324 HydrophobicContact CD2-CB 3.37Å; L193-P324 HydrophobicContact CD2-CG 3.95Å; N321-P324 WeakPolarHBondContact O-CD 3.45Å
325V86.7Confident89.7Confident23 Ų2332.1 Ų32.114%0.13917%0.166CC..THydrogen-bonded Turntrans-87.8-15.7-179-158.50000111.7N323 T327 R415 L418 L419N323-V325 PolarHBondContact O-N 3.27Å; N323-V325 PolarHBondContact OD1-N 3.11Å; V325-T327 PolarHBondContact O-N 3.03Å; V325-R415 HydrophobicContact CG1-CG 4.13Å; V325-R415 HydrophobicContact CG2-CG 3.84Å; V325-L418 HydrophobicContact CG2-CB 4.16Å; V325-L418 HydrophobicContact CG2-CD1 4.2Å; V325-L419 HydrophobicContact CB-CD2 4.34Å; V325-L419 HydrophobicContact CB-CG 4.43Å; V325-L419 HydrophobicContact CG1-CD1 4.23Å; V325-L419 HydrophobicContact CG1-CD2 3.45Å; V325-L419 VanDerWaalsContact CG1-CD2 3.45Å; V325-L419 HydrophobicContact CG1-CG 3.65Å
326Q85.7Confident89.7Confident73 Ų7332.2 Ų32.234%0.34117%0.166SC..  trans-63.8119.9179.2-172.5-179.918.700111.2N323 R328 V422N323-Q326 HydrophobicContact CB-CB 4.34Å; N323-Q326 PolarHBondContact OD1-N 3.38Å; Q326-R328 HydrophobicContact CG-CG 4.33Å; Q326-R328 PolarHBondContact O-N 3.5Å; Q326-R328 VanDerWaalsContact OE1-NH2 3.12Å; Q326-V422 HydrophobicContact CB-CG2 3.94Å; Q326-V422 HydrophobicContact CG-CG1 4.06Å; Q326-V422 HydrophobicContact CG-CG2 3.85Å
327T79.1Confident89.7Confident119 Ų11932.6 Ų32.673%0.7317%0.168SC*.  trans-73.8123.7171.852.30000109.7V325V325-T327 PolarHBondContact O-N 3.03Å
328R83.1Confident89.6Confident49 Ų4932.6 Ų32.619%0.18517%0.168CC..  trans-120155.5178.5-54.7-174.4-173.5114.84.7109.8R263 Q320 N323 Q326R263-R328 WeakPolarHBondContact CD-O 3.4Å; R263-R328 PolarHBondContact NE-O 3.41Å; R263-R328 PolarHBondContact NH1-O 2.9Å; Q320-R328 PolarHBondContact O-NH1 3.04Å; Q320-R328 PolarHBondContact O-NH2 3.21Å; Q320-R328 VanDerWaalsContact OE1-NH1 3.09Å; N323-R328 PolarHBondContact O-NH2 3.49Å; N323-R328 VanDerWaalsContact O-NH2 3.12Å; Q326-R328 HydrophobicContact CG-CG 4.33Å; Q326-R328 PolarHBondContact O-N 3.5Å; Q326-R328 VanDerWaalsContact OE1-NH2 3.12Å
329I86.2Confident89.3Confident134 Ų13433.2 Ų33.269%0.68717%0.173SC*.SBendtrans-76.4-42.2178.1-59.6171.5000109.6L262 R263L262-I329 HydrophobicContact CD2-CG2 3.97Å; R263-I329 WeakPolarHBondContact CB-O 3.32Å; R263-I329 PolarHBondContact N-O 3.1Å
330D88.6Confident89Confident49 Ų4936.7 Ų36.726%0.26219%0.191SC..EExtended strand (participates in β ladder)trans-111.9146.3-178.4-57.1-42.2000111.2P260 T261 L262P260-D330 HydrophobicContact CB-CB 3.69Å; T261-D330 CarbonylContact O-C 3.58Å; T261-D330 WeakPolarHBondContact O-CA 3.34Å; L262-D330 VanDerWaalsContact CD2-OD1 3.31Å; L262-D330 WeakPolarHBondContact CD2-OD1 3.35Å
331D89.7Confident88.9Confident2 Ų239.6 Ų39.61%0.01122%0.215CC..EExtended strand (participates in β ladder)trans-89.1106.5165.3-71.7-23.1000107.4T261 R263 L401 P403 R404T261-D331 PolarHBondContact O-N 3.3Å; T261-D331 PolarHBondContact OG1-O 3.21Å; R263-D331 IonicContact CZ-OD1 2.81Å; R263-D331 VanDerWaalsContact CZ-OD1 3.28Å; R263-D331 IonicContact NE-OD1 2.64Å; R263-D331 PolarHBondContact NE-OD1 2.97Å; R263-D331 IonicContact NH2-OD1 3.71Å; R263-D331 PolarHBondContact NH2-OD1 3.13Å; D331-L401 HydrophobicContact CB-CD2 4.34Å; D331-P403 HydrophobicContact CB-CB 3.95Å; D331-P403 HydrophobicContact CB-CG 4.32Å; D331-P403 WeakPolarHBondContact OD2-CB 3.44Å; D331-R404 IonicContact OD2-NH2 3.21Å; D331-R404 PolarHBondContact OD2-NH2 2.91Å
332S92.4Very high88.7Confident1 Ų140.5 Ų40.51%0.00722%0.218CC..  trans-138.3142.3-175.565.90000113.3Q320 E369 A370Q320-S332 PolarHBondContact NE2-OG 3.4Å; S332-E369 PolarHBondContact OG-OE2 3.05Å; S332-E369 VanDerWaalsContact OG-OE2 3.11Å; S332-A370 CarbonylContact C-O 3.55Å; S332-A370 VanDerWaalsContact CA-O 3.24Å; S332-A370 WeakPolarHBondContact CA-O 3.49Å; S332-A370 WeakPolarHBondContact CB-O 3.47Å
333L93.8Very high88.9Confident0 Ų039.4 Ų39.40%022%0.22CC..EExtended strand (participates in β ladder)trans-84.1153.4160.763.577000109.6L196 I317 V335 E369 A370 V399 L401L196-L333 HydrophobicContact CD2-CB 3.79Å; L196-L333 HydrophobicContact CD2-CD2 3.85Å; L196-L333 HydrophobicContact CD2-CG 4.48Å; I317-L333 HydrophobicContact CG2-CD1 4Å; I317-L333 HydrophobicContact CG2-CD2 4.34Å; L333-V335 HydrophobicContact CD1-CG2 3.64Å; L333-E369 WeakPolarHBondContact O-CA 3.28Å; L333-A370 HydrophobicContact CD1-CB 3.92Å; L333-A370 WeakPolarHBondContact CG-O 3.47Å; L333-A370 PolarHBondContact N-O 3.11Å; L333-A370 PolarHBondContact O-N 2.96Å; L333-V399 HydrophobicContact CD2-CG1 4.16Å; L333-L401 HydrophobicContact CB-CB 4.42Å; L333-L401 HydrophobicContact CB-CD1 4.26Å; L333-L401 HydrophobicContact CD2-CB 4.35Å
334L93.8Very high89Confident30 Ų3041.1 Ų41.116%0.15723%0.231CC..EExtended strand (participates in β ladder)trans-108.8114.2-177.8-171.471.8000109.8Q318 Q320 C336 K367 E369Q318-L334 PolarHBondContact N-O 3.43Å; Q318-L334 PolarHBondContact O-N 3.49Å; Q320-L334 HydrophobicContact CG-CB 4.42Å; L334-C336 WeakPolarHBondContact CD2-SG 3.46Å; L334-C336 VanDerWaalsContact CG-SG 3.54Å; L334-K367 HydrophobicContact CD1-CB 4.2Å; L334-E369 HydrophobicContact CD1-CG 4.08Å
335V93.8Very high89.2Confident1 Ų142 Ų421%0.00625%0.245CC..EExtended strand (participates in β ladder)trans-90.4109.9169.6-172.40000107.8S316 I317 L333 V337 K367 L368 C373S316-V335 CarbonylContact O-C 3.58Å; S316-V335 WeakPolarHBondContact O-CA 3.45Å; I317-V335 HydrophobicContact CG1-CG1 4.38Å; I317-V335 HydrophobicContact CG1-CG2 4.33Å; L333-V335 HydrophobicContact CD1-CG2 3.64Å; V335-V337 HydrophobicContact CG1-CG2 4.25Å; V335-K367 WeakPolarHBondContact O-CA 3.33Å; V335-L368 HydrophobicContact CB-CB 4.3Å; V335-L368 PolarHBondContact N-O 3.39Å; V335-L368 PolarHBondContact O-N 3.34Å; V335-C373 HydrophobicContact CG2-CB 4.38Å
336C93.1Very high89.5Confident1 Ų144.7 Ų44.71%0.00726%0.258CS..EExtended strand (participates in β ladder)trans-106.8127.2177-700000110.1S316 L334 F361 L366S316-C336 PolarHBondContact N-O 3.5Å; S316-C336 PolarHBondContact O-N 2.82Å; S316-C336 WeakPolarHBondContact OG-CB 3.02Å; L334-C336 WeakPolarHBondContact CD2-SG 3.46Å; L334-C336 VanDerWaalsContact CG-SG 3.54Å; C336-F361 HydrophobicContact CB-CD1 3.7Å; C336-F361 HydrophobicContact CB-CD2 3.67Å; C336-F361 HydrophobicContact CB-CE1 3.69Å; C336-F361 HydrophobicContact CB-CE2 3.66Å; C336-F361 HydrophobicContact CB-CG 3.75Å; C336-F361 HydrophobicContact CB-CZ 3.74Å; C336-L366 WeakPolarHBondContact CA-O 3.26Å
337V92.5Very high89.7Confident8 Ų841.2 Ų41.25%0.04824%0.242CC..EExtended strand (participates in β ladder)trans-126.4120.3-175.5164.80000108.5L310 T312 L315 V335 S365 L366L310-V337 HydrophobicContact CD1-CG1 4.4Å; L310-V337 HydrophobicContact CD1-CG2 3.76Å; T312-V337 HydrophobicContact CG2-CB 4.42Å; T312-V337 HydrophobicContact CG2-CG1 3.17Å; L315-V337 HydrophobicContact CD1-CG2 4.12Å; L315-V337 HydrophobicContact CG-CG2 4.27Å; V335-V337 HydrophobicContact CG1-CG2 4.25Å; V337-S365 CarbonylContact O-C 3.47Å; V337-S365 WeakPolarHBondContact O-CA 3.35Å; V337-S365 WeakPolarHBondContact O-CB 3.5Å; V337-L366 HydrophobicContact CB-CB 4.24Å; V337-L366 HydrophobicContact CB-CD2 4.38Å; V337-L366 PolarHBondContact N-O 3.16Å; V337-L366 PolarHBondContact O-N 3.09Å
338E92.4Very high90.4Very high1 Ų136.9 Ų36.91%0.00521%0.214CC..  trans-78.6144.1172.9-71.5-66.9-174.500111.1T312 E314 F342 K354 F361 T362T312-E338 WeakPolarHBondContact CB-O 3.47Å; E314-E338 HydrophobicContact CB-CG 4.48Å; E314-E338 PolarHBondContact O-N 3.39Å; E338-F342 HydrophobicContact CB-CE2 3.95Å; E338-F342 HydrophobicContact CB-CZ 4.31Å; E338-F342 HydrophobicContact CG-CZ 4.45Å; E338-F342 WeakPolarHBondContact OE2-CZ 3.46Å; E338-K354 WeakPolarHBondContact OE1-CE 3.27Å; E338-K354 IonicContact OE1-NZ 2.85Å; E338-K354 PolarHBondContact OE1-NZ 3.38Å; E338-F361 HydrophobicContact CG-CD1 3.81Å; E338-F361 HydrophobicContact CG-CE1 3.99Å; E338-F361 WeakPolarHBondContact OE1-CA 3.38Å; E338-F361 WeakPolarHBondContact OE1-CD1 3.3Å; E338-T362 PolarHBondContact OE1-N 3.1Å; E338-T362 VanDerWaalsContact OE1-N 3.08Å; E338-T362 WeakPolarHBondContact OE2-CB 3.12Å; E338-T362 PolarHBondContact OE2-OG1 3.17Å
339P88.8Confident90.8Very high24 Ų2437.7 Ų37.716%0.15622%0.224CC..  trans-64.3165.1175.327.3-33.3000112F342 Q364P339-F342 HydrophobicContact CG-CD2 4.25Å; P339-F342 HydrophobicContact CG-CE2 3.57Å; P339-F342 HydrophobicContact CG-CZ 4.17Å; P339-F342 WeakPolarHBondContact O-CD2 3.33Å; P339-F342 WeakPolarHBondContact O-CE2 3.41Å; P339-Q364 HydrophobicContact CG-CB 4.17Å
340D86.8Confident91.1Very high87 Ų8732.1 Ų32.147%0.46520%0.196SC..SBendtrans-82.5-21.4172.655.9-5.6000112.9V250 F342V250-D340 HydrophobicContact CG1-CB 4.3Å; V250-D340 HydrophobicContact CG2-CB 4.12Å; D340-F342 VanDerWaalsContact C-N 3.26Å; D340-F342 PolarHBondContact O-N 2.74Å
341S86.4Confident91.2Very high86 Ų8629.8 Ų29.860%0.60118%0.184SC*.  trans-80.733.8-171.558.30000116.1
342F87.1Confident91.2Very high23 Ų2333.2 Ų33.210%0.10120%0.2CC..  trans-74.7146.6176.3-78.4-95.9000112.1W247 L313 E338 P339 D340 D346 V350 T362W247-F342 HydrophobicContact CH2-CB 4.15Å; W247-F342 WeakPolarHBondContact CZ2-O 3.47Å; L313-F342 HydrophobicContact CD1-CB 3.77Å; L313-F342 HydrophobicContact CD1-CD2 3.39Å; L313-F342 HydrophobicContact CD1-CE2 4.27Å; L313-F342 HydrophobicContact CD1-CG 3.87Å; E338-F342 HydrophobicContact CB-CE2 3.95Å; E338-F342 HydrophobicContact CB-CZ 4.31Å; E338-F342 HydrophobicContact CG-CZ 4.45Å; E338-F342 WeakPolarHBondContact OE2-CZ 3.46Å; P339-F342 HydrophobicContact CG-CD2 4.25Å; P339-F342 HydrophobicContact CG-CE2 3.57Å; P339-F342 HydrophobicContact CG-CZ 4.17Å; P339-F342 WeakPolarHBondContact O-CD2 3.33Å; P339-F342 WeakPolarHBondContact O-CE2 3.41Å; D340-F342 VanDerWaalsContact C-N 3.26Å; D340-F342 PolarHBondContact O-N 2.74Å; F342-D346 HydrophobicContact CD1-CB 3.95Å; F342-V350 HydrophobicContact CE1-CB 4.41Å; F342-V350 HydrophobicContact CE1-CG1 4.45Å; F342-V350 HydrophobicContact CE1-CG2 4.1Å; F342-T362 HydrophobicContact CE1-CG2 3.85Å; F342-T362 HydrophobicContact CZ-CG2 3.76Å
343T91.6Very high91.1Very high77 Ų7739.9 Ų39.947%0.47223%0.229SC..  trans-86.1159.9159.473.60000110.1G345 D346 F347T343-G345 PolarHBondContact O-N 2.95Å; T343-D346 PolarHBondContact O-N 3.23Å; T343-D346 VanDerWaalsContact O-N 3.16Å; T343-D346 PolarHBondContact OG1-N 2.88Å; T343-D346 VanDerWaalsContact OG1-N 3.13Å; T343-D346 PolarHBondContact OG1-OD2 3.17Å; T343-F347 WeakPolarHBondContact O-CB 3.43Å; T343-F347 PolarHBondContact O-N 3.47Å
344V91.1Very high90.9Very high53 Ų5340.2 Ų40.232%0.32123%0.23SC..Hα-helixtrans-58.2-37.9175.61740000111.5T243 W247 F347 I348T243-V344 HydrophobicContact CG2-CG1 4.02Å; W247-V344 HydrophobicContact CD2-CG2 3.97Å; W247-V344 HydrophobicContact CG-CG2 4.25Å; W247-V344 HydrophobicContact CZ2-CG2 4.08Å; V344-F347 PolarHBondContact O-N 3.13Å; V344-I348 HydrophobicContact CG1-CD1 4.11Å; V344-I348 WeakPolarHBondContact O-CG1 3.29Å; V344-I348 PolarHBondContact O-N 3.02Å; V344-I348 VanDerWaalsContact O-N 3.12Å
345G91.4Very high90.5Very high42 Ų4240.7 Ų40.743%0.43324%0.239SC..Hα-helixtrans-64.8-44.7176.200000112.1T343 I348 T349T343-G345 PolarHBondContact O-N 2.95Å; G345-I348 PolarHBondContact O-N 2.83Å; G345-T349 WeakPolarHBondContact O-CG2 3.34Å; G345-T349 PolarHBondContact O-N 3.02Å; G345-T349 PolarHBondContact O-OG1 3.29Å
346D91.1Very high90Very high78 Ų7843.7 Ų43.742%0.41726%0.263SS..Hα-helixtrans-64.8-41.1177-61.8-39.2000111.3F342 T343 I348 T349 V350F342-D346 HydrophobicContact CD1-CB 3.95Å; T343-D346 PolarHBondContact O-N 3.23Å; T343-D346 VanDerWaalsContact O-N 3.16Å; T343-D346 PolarHBondContact OG1-N 2.88Å; T343-D346 VanDerWaalsContact OG1-N 3.13Å; T343-D346 PolarHBondContact OG1-OD2 3.17Å; D346-I348 VanDerWaalsContact C-N 3.34Å; D346-I348 PolarHBondContact O-N 3.45Å; D346-T349 WeakPolarHBondContact CA-OG1 3.23Å; D346-T349 PolarHBondContact O-N 3.29Å; D346-T349 PolarHBondContact O-OG1 3.28Å; D346-V350 VanDerWaalsContact O-CB 3.29Å; D346-V350 WeakPolarHBondContact O-CB 3.21Å; D346-V350 VanDerWaalsContact O-CG2 3.3Å; D346-V350 WeakPolarHBondContact O-CG2 3.37Å; D346-V350 PolarHBondContact O-N 3.39Å
347F91.9Very high89.6Confident0 Ų045.7 Ų45.70%027%0.274CS..Hα-helixtrans-57.5-44.4175179.9-102.7000112.1A216 F217 V220 H239 T243 W247 T343 V344 G351A216-F347 HydrophobicContact CB-CE2 4.06Å; A216-F347 HydrophobicContact CB-CZ 4.26Å; F217-F347 HydrophobicContact CD1-CD2 4.12Å; F217-F347 AromaticContact CD1-CE2 3.7Å; F217-F347 HydrophobicContact CD1-CE2 3.7Å; F217-F347 HydrophobicContact CD1-CZ 4.25Å; F217-F347 HydrophobicContact CD2-CE2 4.32Å; F217-F347 AromaticContact CE1-CD2 3.39Å; F217-F347 HydrophobicContact CE1-CD2 3.39Å; F217-F347 AromaticContact CE1-CE2 3.46Å; F217-F347 HydrophobicContact CE1-CE2 3.46Å; F217-F347 VanDerWaalsContact CE1-CE2 3.46Å; F217-F347 HydrophobicContact CE1-CG 4.12Å; F217-F347 HydrophobicContact CE1-CZ 4.26Å; F217-F347 WeakPolarHBondContact CE1-O 3.36Å; F217-F347 HydrophobicContact CE2-CD2 4.11Å; F217-F347 HydrophobicContact CE2-CE2 4.13Å; F217-F347 HydrophobicContact CG-CE2 4.13Å; F217-F347 AromaticContact CZ-CD2 3.38Å; F217-F347 HydrophobicContact CZ-CD2 3.38Å; F217-F347 AromaticContact CZ-CE2 3.7Å; F217-F347 HydrophobicContact CZ-CE2 3.7Å; F217-F347 HydrophobicContact CZ-CG 4.33Å; V220-F347 HydrophobicContact CG2-CE1 4.35Å; V220-F347 HydrophobicContact CG2-CZ 4.06Å; H239-F347 HydrophobicContact CB-CD1 4.15Å; H239-F347 HydrophobicContact CB-CE1 3.93Å; H239-F347 AromaticContact ND1-CE1 3.48Å; H239-F347 WeakPolarHBondContact ND1-CE1 3.36Å; H239-F347 AromaticContact ND1-CZ 3.72Å; T243-F347 HydrophobicContact CG2-CD1 3.58Å; T243-F347 HydrophobicContact CG2-CE1 3.86Å; W247-F347 HydrophobicContact CH2-CB 3.83Å; W247-F347 HydrophobicContact CH2-CD2 4.36Å; W247-F347 HydrophobicContact CH2-CG 4.11Å; W247-F347 HydrophobicContact CZ3-CB 4.02Å; W247-F347 HydrophobicContact CZ3-CD1 4.17Å; W247-F347 HydrophobicContact CZ3-CD2 4.02Å; W247-F347 AromaticContact CZ3-CG 3.81Å; W247-F347 HydrophobicContact CZ3-CG 3.81Å; T343-F347 WeakPolarHBondContact O-CB 3.43Å; T343-F347 PolarHBondContact O-N 3.47Å; V344-F347 PolarHBondContact O-N 3.13Å; F347-G351 WeakPolarHBondContact O-CA 3.5Å; F347-G351 PolarHBondContact O-N 3.45Å
348I92.6Very high88.9Confident28 Ų2845.9 Ų45.914%0.14428%0.276CS..Hα-helixtrans-67.7-43.1178.9-64.8164.5000111.2K236 H239 W240 V344 G345 D346 G351 E352K236-I348 HydrophobicContact CB-CG2 4.02Å; K236-I348 HydrophobicContact CG-CG2 4.06Å; H239-I348 HydrophobicContact CB-CB 4.34Å; H239-I348 HydrophobicContact CB-CG1 3.85Å; H239-I348 HydrophobicContact CB-CG2 4.47Å; W240-I348 HydrophobicContact CB-CD1 4.04Å; W240-I348 HydrophobicContact CG-CD1 4.44Å; V344-I348 HydrophobicContact CG1-CD1 4.11Å; V344-I348 WeakPolarHBondContact O-CG1 3.29Å; V344-I348 PolarHBondContact O-N 3.02Å; V344-I348 VanDerWaalsContact O-N 3.12Å; G345-I348 PolarHBondContact O-N 2.83Å; D346-I348 VanDerWaalsContact C-N 3.34Å; D346-I348 PolarHBondContact O-N 3.45Å; I348-G351 PolarHBondContact O-N 3.49Å; I348-E352 PolarHBondContact O-N 3.06Å
349T92Very high88.2Confident66 Ų6646.7 Ų46.741%0.40528%0.281SS..Hα-helixtrans-70.8-38.9-17860.10000112.6G345 D346 K353G345-T349 WeakPolarHBondContact O-CG2 3.34Å; G345-T349 PolarHBondContact O-N 3.02Å; G345-T349 PolarHBondContact O-OG1 3.29Å; D346-T349 WeakPolarHBondContact CA-OG1 3.23Å; D346-T349 PolarHBondContact O-N 3.29Å; D346-T349 PolarHBondContact O-OG1 3.28Å; T349-K353 WeakPolarHBondContact O-CG 3.4Å; T349-K353 PolarHBondContact O-N 3.26Å
350V91.6Very high87.9Confident17 Ų1747 Ų4710%0.10329%0.286CS..Hα-helixtrans-70.8-38.2174.4172.80000110.5F217 F342 D346 E352 K353 K354 T362F217-V350 HydrophobicContact CE1-CB 4.34Å; F217-V350 HydrophobicContact CE1-CG1 4.15Å; F217-V350 HydrophobicContact CE2-CG1 4.47Å; F217-V350 HydrophobicContact CZ-CB 4.19Å; F217-V350 HydrophobicContact CZ-CG1 3.83Å; F342-V350 HydrophobicContact CE1-CB 4.41Å; F342-V350 HydrophobicContact CE1-CG1 4.45Å; F342-V350 HydrophobicContact CE1-CG2 4.1Å; D346-V350 VanDerWaalsContact O-CB 3.29Å; D346-V350 WeakPolarHBondContact O-CB 3.21Å; D346-V350 VanDerWaalsContact O-CG2 3.3Å; D346-V350 WeakPolarHBondContact O-CG2 3.37Å; D346-V350 PolarHBondContact O-N 3.39Å; V350-E352 VanDerWaalsContact C-N 3.34Å; V350-E352 PolarHBondContact O-N 3.5Å; V350-K353 PolarHBondContact O-N 3.07Å; V350-K354 HydrophobicContact CG1-CD 4.07Å; V350-K354 HydrophobicContact CG1-CG 4.31Å; V350-K354 WeakPolarHBondContact O-CB 3.3Å; V350-K354 WeakPolarHBondContact O-CG 3.48Å; V350-K354 PolarHBondContact O-N 2.63Å; V350-T362 HydrophobicContact CG1-CG2 3.94Å; V350-T362 HydrophobicContact CG2-CG2 3.77Å
351G90.7Very high87.7Confident1 Ų144.5 Ų44.51%0.0127%0.271CS..Hα-helixtrans-58.9-42.5173.900000113.1H239 F347 I348 K353 K354 A355H239-G351 VanDerWaalsContact CE1-CA 3.41Å; H239-G351 WeakPolarHBondContact CE1-CA 3.34Å; H239-G351 VanDerWaalsContact NE2-CA 3.33Å; H239-G351 WeakPolarHBondContact NE2-CA 3.17Å; F347-G351 WeakPolarHBondContact O-CA 3.5Å; F347-G351 PolarHBondContact O-N 3.45Å; I348-G351 PolarHBondContact O-N 3.49Å; G351-K353 PolarHBondContact O-N 3.13Å; G351-K354 PolarHBondContact O-N 3.48Å; G351-A355 WeakPolarHBondContact O-CB 3.38Å; G351-A355 PolarHBondContact O-N 2.76Å
352E90.5Very high87.5Confident74 Ų7441.7 Ų41.735%0.34625%0.25SC..Hα-helixtrans-61.2-42.9174.2-177.2174.3-145.700112.3I235 K236 I348 V350 A355 A356I235-E352 HydrophobicContact CG2-CB 4.34Å; K236-E352 WeakPolarHBondContact CE-OE1 3.32Å; K236-E352 WeakPolarHBondContact CE-OE2 3.01Å; K236-E352 IonicContact NZ-OE1 3.52Å; K236-E352 IonicContact NZ-OE2 3.13Å; K236-E352 PolarHBondContact NZ-OE2 3.45Å; K236-E352 VanDerWaalsContact NZ-OE2 3.13Å; I348-E352 PolarHBondContact O-N 3.06Å; V350-E352 VanDerWaalsContact C-N 3.34Å; V350-E352 PolarHBondContact O-N 3.5Å; E352-A355 PolarHBondContact O-N 3.01Å; E352-A356 PolarHBondContact O-N 3.4Å
353K90.8Very high86.9Confident140 Ų14053 Ų5361%0.60929%0.292SS*.Hα-helixtrans-64.5-42.6175.4-68.3174.5-176.9174.60111.5T349 V350 G351 A355 A356 D357T349-K353 WeakPolarHBondContact O-CG 3.4Å; T349-K353 PolarHBondContact O-N 3.26Å; V350-K353 PolarHBondContact O-N 3.07Å; G351-K353 PolarHBondContact O-N 3.13Å; K353-A355 VanDerWaalsContact C-N 3.3Å; K353-A355 PolarHBondContact O-N 3.27Å; K353-A356 PolarHBondContact O-N 3.2Å; K353-A356 VanDerWaalsContact O-N 3.1Å; K353-D357 PolarHBondContact O-N 2.88Å
354K89.1Confident86.4Confident7 Ų756.5 Ų56.53%0.0330%0.303CS..Hα-helixtrans-68.9-25.1178.8-77.7-174.4172.8-178.20114.2F217 E314 E338 V350 G351 A356 D357 S358 A360F217-K354 HydrophobicContact CB-CD 4.31Å; F217-K354 HydrophobicContact CD1-CD 4.23Å; F217-K354 HydrophobicContact CD2-CD 4.1Å; F217-K354 HydrophobicContact CE2-CD 4.48Å; F217-K354 HydrophobicContact CG-CD 3.96Å; E314-K354 WeakPolarHBondContact OE2-CD 3.48Å; E314-K354 WeakPolarHBondContact OE2-CE 3.46Å; E314-K354 IonicContact OE2-NZ 3.54Å; E314-K354 PolarHBondContact OE2-NZ 2.99Å; E338-K354 WeakPolarHBondContact OE1-CE 3.27Å; E338-K354 IonicContact OE1-NZ 2.85Å; E338-K354 PolarHBondContact OE1-NZ 3.38Å; V350-K354 HydrophobicContact CG1-CD 4.07Å; V350-K354 HydrophobicContact CG1-CG 4.31Å; V350-K354 WeakPolarHBondContact O-CB 3.3Å; V350-K354 WeakPolarHBondContact O-CG 3.48Å; V350-K354 PolarHBondContact O-N 2.63Å; G351-K354 PolarHBondContact O-N 3.48Å; K354-A356 VanDerWaalsContact C-N 3.28Å; K354-D357 VanDerWaalsContact CA-O 3.32Å; K354-D357 WeakPolarHBondContact CA-O 3.43Å; K354-D357 CarbonylContact O-C 3.39Å; K354-S358 WeakPolarHBondContact O-CA 3.5Å; K354-S358 PolarHBondContact O-N 3.44Å; K354-A360 WeakPolarHBondContact CE-O 3.42Å; K354-A360 WeakPolarHBondContact CG-O 3.32Å
355A86.3Confident86.2Confident40 Ų4054.6 Ų54.633%0.33129%0.292SS..Hα-helixtrans-73-24.117200000112.4I224 I235 G351 E352 K353I224-A355 HydrophobicContact CD1-CB 4.26Å; I235-A355 HydrophobicContact CD1-CB 4.26Å; I235-A355 HydrophobicContact CG2-CB 3.89Å; G351-A355 WeakPolarHBondContact O-CB 3.38Å; G351-A355 PolarHBondContact O-N 2.76Å; E352-A355 PolarHBondContact O-N 3.01Å; K353-A355 VanDerWaalsContact C-N 3.3Å; K353-A355 PolarHBondContact O-N 3.27Å
356A83.2Confident86.1Confident64 Ų6455.1 Ų55.153%0.52929%0.285SS..Hα-helixtrans-91.5-39.8175.500000112.6H160 E352 K353 K354H160-A356 PolarHBondContact CE1-O 3.43Å; H160-A356 PolarHBondContact NE2-O 3.08Å; E352-A356 PolarHBondContact O-N 3.4Å; K353-A356 PolarHBondContact O-N 3.2Å; K353-A356 VanDerWaalsContact O-N 3.1Å; K354-A356 VanDerWaalsContact C-N 3.28Å
357D83.1Confident86.1Confident44 Ų4457.2 Ų57.224%0.23529%0.29CS..  trans-131.8105171.6178.11.6000109.1K322 K353 K354 T359 A360K322-D357 IonicContact NZ-OD1 2.7Å; K322-D357 PolarHBondContact NZ-OD1 2.98Å; K322-D357 IonicContact NZ-OD2 2.84Å; K322-D357 PolarHBondContact NZ-OD2 3.34Å; K353-D357 PolarHBondContact O-N 2.88Å; K354-D357 VanDerWaalsContact CA-O 3.32Å; K354-D357 WeakPolarHBondContact CA-O 3.43Å; K354-D357 CarbonylContact O-C 3.39Å; D357-T359 PolarHBondContact O-N 3.07Å; D357-T359 PolarHBondContact OD1-N 2.99Å; D357-T359 PolarHBondContact OD1-OG1 3.35Å; D357-A360 HydrophobicContact CB-CB 4.08Å; D357-A360 WeakPolarHBondContact O-CB 3.18Å; D357-A360 PolarHBondContact O-N 2.99Å
358S77.9Confident86.1Confident11 Ų1158.5 Ų58.58%0.07730%0.297CS..THydrogen-bonded Turntrans-61.6-16-177.354.20000114.7K354K354-S358 WeakPolarHBondContact O-CA 3.5Å; K354-S358 PolarHBondContact O-N 3.44Å
359T78.9Confident86.1Confident18 Ų1861.6 Ų61.611%0.1131%0.311CS..THydrogen-bonded Turntrans-110.85.8-174.157.10000112.4I210 Q318 K322 D357 F361I210-T359 HydrophobicContact CG2-CG2 3.76Å; Q318-T359 VanDerWaalsContact OE1-CB 3.25Å; K322-T359 WeakPolarHBondContact CE-OG1 3.29Å; K322-T359 PolarHBondContact NZ-OG1 3.48Å; D357-T359 PolarHBondContact O-N 3.07Å; D357-T359 PolarHBondContact OD1-N 2.99Å; D357-T359 PolarHBondContact OD1-OG1 3.35Å; T359-F361 WeakPolarHBondContact O-CD2 3.4Å; T359-F361 PolarHBondContact O-N 2.99Å
360A82.6Confident86.1Confident32 Ų3258.4 Ų58.426%0.26429%0.291SS..  trans-77.6118.6173.100000110.9K354 D357K354-A360 WeakPolarHBondContact CE-O 3.42Å; K354-A360 WeakPolarHBondContact CG-O 3.32Å; D357-A360 HydrophobicContact CB-CB 4.08Å; D357-A360 WeakPolarHBondContact O-CB 3.18Å; D357-A360 PolarHBondContact O-N 2.99Å
361F82Confident86.2Confident33 Ų3358.4 Ų58.415%0.14529%0.292CS..  trans-108.6154.2174.5-74.8-89000111.9S316 C336 E338 T359S316-F361 VanDerWaalsContact OG-CE2 3.29Å; S316-F361 WeakPolarHBondContact OG-CE2 3.45Å; S316-F361 WeakPolarHBondContact OG-CZ 3.4Å; C336-F361 HydrophobicContact CB-CD1 3.7Å; C336-F361 HydrophobicContact CB-CD2 3.67Å; C336-F361 HydrophobicContact CB-CE1 3.69Å; C336-F361 HydrophobicContact CB-CE2 3.66Å; C336-F361 HydrophobicContact CB-CG 3.75Å; C336-F361 HydrophobicContact CB-CZ 3.74Å; E338-F361 HydrophobicContact CG-CD1 3.81Å; E338-F361 HydrophobicContact CG-CE1 3.99Å; E338-F361 WeakPolarHBondContact OE1-CA 3.38Å; E338-F361 WeakPolarHBondContact OE1-CD1 3.3Å; T359-F361 WeakPolarHBondContact O-CD2 3.4Å; T359-F361 PolarHBondContact O-N 2.99Å
362T81.4Confident86.3Confident27 Ų2758.6 Ų58.617%0.16629%0.294CS..  trans-67.9161.617471.10000111.9E338 F342 V350 Q364 S365E338-T362 PolarHBondContact OE1-N 3.1Å; E338-T362 VanDerWaalsContact OE1-N 3.08Å; E338-T362 WeakPolarHBondContact OE2-CB 3.12Å; E338-T362 PolarHBondContact OE2-OG1 3.17Å; F342-T362 HydrophobicContact CE1-CG2 3.85Å; F342-T362 HydrophobicContact CZ-CG2 3.76Å; V350-T362 HydrophobicContact CG1-CG2 3.94Å; V350-T362 HydrophobicContact CG2-CG2 3.77Å; T362-Q364 PolarHBondContact O-N 3.44Å; T362-S365 VanDerWaalsContact O-CB 3.32Å; T362-S365 WeakPolarHBondContact O-CB 3.37Å; T362-S365 PolarHBondContact O-N 2.99Å; T362-S365 PolarHBondContact O-OG 3.48Å; T362-S365 PolarHBondContact OG1-N 2.92Å
363R76.1Confident86.5Confident260 Ų26055.1 Ų55.198%0.98128%0.277SS*.THydrogen-bonded Turntrans-67.2-22177.1-69.7-175.9179.2174-1113.3S365R363-S365 VanDerWaalsContact C-N 3.31Å
364Q80.4Confident86.6Confident151 Ų15152.7 Ų52.771%0.70626%0.264SS*.THydrogen-bonded Turntrans-86.6-4.7179-67.6173.6-2100112.3P339 T362P339-Q364 HydrophobicContact CG-CB 4.17Å; T362-Q364 PolarHBondContact O-N 3.44Å
365S86.7Confident86.8Confident13 Ų1352.4 Ų52.49%0.09126%0.263CS..  trans-63.1136.6177.772.10000111.1V337 T362 R363V337-S365 CarbonylContact O-C 3.47Å; V337-S365 WeakPolarHBondContact O-CA 3.35Å; V337-S365 WeakPolarHBondContact O-CB 3.5Å; T362-S365 VanDerWaalsContact O-CB 3.32Å; T362-S365 WeakPolarHBondContact O-CB 3.37Å; T362-S365 PolarHBondContact O-N 2.99Å; T362-S365 PolarHBondContact O-OG 3.48Å; T362-S365 PolarHBondContact OG1-N 2.92Å; R363-S365 VanDerWaalsContact C-N 3.31Å
366L88.7Confident87Confident54 Ų5453.3 Ų53.328%0.28326%0.262SS..EExtended strand (participates in β ladder)trans-75.3125.9169.3-176.9119.2000108.9C336 V337 L368C336-L366 WeakPolarHBondContact CA-O 3.26Å; V337-L366 HydrophobicContact CB-CB 4.24Å; V337-L366 HydrophobicContact CB-CD2 4.38Å; V337-L366 PolarHBondContact N-O 3.16Å; V337-L366 PolarHBondContact O-N 3.09Å; L366-L368 HydrophobicContact CD2-CD1 3.66Å; L366-L368 HydrophobicContact CD2-CD2 4.03Å; L366-L368 HydrophobicContact CD2-CG 3.59Å; L366-L368 HydrophobicContact CG-CD2 4.45Å; L366-L368 HydrophobicContact CG-CG 4.38Å
367K91.9Very high87.1Confident121 Ų12151 Ų5153%0.52624%0.241SC..EExtended strand (participates in β ladder)trans-116.7123177-63.3-172179.6-179.20109.3L334 V335L334-K367 HydrophobicContact CD1-CB 4.2Å; V335-K367 WeakPolarHBondContact O-CA 3.33Å
368L91.2Very high87Confident27 Ų2752.2 Ų52.214%0.14125%0.251CS..EExtended strand (participates in β ladder)trans-120134175.8-57.8173.2000109Y257 V335 L366Y257-L368 HydrophobicContact CD1-CD1 4.48Å; Y257-L368 HydrophobicContact CE1-CD1 4.2Å; V335-L368 HydrophobicContact CB-CB 4.3Å; V335-L368 PolarHBondContact N-O 3.39Å; V335-L368 PolarHBondContact O-N 3.34Å; L366-L368 HydrophobicContact CD2-CD1 3.66Å; L366-L368 HydrophobicContact CD2-CD2 4.03Å; L366-L368 HydrophobicContact CD2-CG 3.59Å; L366-L368 HydrophobicContact CG-CD2 4.45Å; L366-L368 HydrophobicContact CG-CG 4.38Å
369E92.9Very high86.5Confident93 Ų9361.4 Ų61.444%0.43529%0.293SS..EExtended strand (participates in β ladder)trans-95.9131.5170.6-65.8-170.7-169.200109.1P260 S332 L333 L334P260-E369 WeakPolarHBondContact CD-O 3.46Å; P260-E369 HydrophobicContact CG-CB 3.85Å; S332-E369 PolarHBondContact OG-OE2 3.05Å; S332-E369 VanDerWaalsContact OG-OE2 3.11Å; L333-E369 WeakPolarHBondContact O-CA 3.28Å; L334-E369 HydrophobicContact CD1-CG 4.08Å
370A93.1Very high85.7Confident0 Ų069 Ų690%033%0.327CS..EExtended strand (participates in β ladder)trans-143.6159.4-178.900000109.9Y257 I258 S332 L333Y257-A370 HydrophobicContact CD2-CB 4.22Å; Y257-A370 HydrophobicContact CG-CB 4.43Å; I258-A370 CarbonylContact O-C 3.57Å; I258-A370 WeakPolarHBondContact O-CA 3.39Å; I258-A370 VanDerWaalsContact O-CB 3.25Å; I258-A370 WeakPolarHBondContact O-CB 3.31Å; S332-A370 CarbonylContact C-O 3.55Å; S332-A370 VanDerWaalsContact CA-O 3.24Å; S332-A370 WeakPolarHBondContact CA-O 3.49Å; S332-A370 WeakPolarHBondContact CB-O 3.47Å; L333-A370 HydrophobicContact CD1-CB 3.92Å; L333-A370 WeakPolarHBondContact CG-O 3.47Å; L333-A370 PolarHBondContact N-O 3.11Å; L333-A370 PolarHBondContact O-N 2.96Å
371S91.9Very high84.9Confident16 Ų1671 Ų7111%0.11235%0.351CS..SBendtrans-88.7-36.2169.952.30000111.6I258 A259 L401I258-S371 WeakPolarHBondContact CG2-OG 3.23Å; I258-S371 PolarHBondContact O-N 3.45Å; A259-S371 WeakPolarHBondContact O-CB 3.38Å; A259-S371 PolarHBondContact O-OG 2.88Å; S371-L401 WeakPolarHBondContact O-CB 3.39Å; S371-L401 PolarHBondContact O-N 2.96Å; S371-L401 VanDerWaalsContact O-N 3.07Å
372A93.9Very high84.4Confident6 Ų670 Ų705%0.0535%0.349CS..EExtended strand (participates in β ladder)trans-142.2151.8174.500000110.3Y257 I258 W305 V399 R400Y257-A372 WeakPolarHBondContact CA-O 3.38Å; I258-A372 HydrophobicContact CB-CB 4.48Å; I258-A372 HydrophobicContact CD1-CB 4.17Å; I258-A372 HydrophobicContact CG1-CB 4.48Å; I258-A372 PolarHBondContact N-O 3.37Å; W305-A372 HydrophobicContact CH2-CB 4.05Å; A372-V399 CarbonylContact C-O 3.45Å; A372-V399 VanDerWaalsContact CA-O 3.25Å; A372-V399 WeakPolarHBondContact CA-O 3.33Å; A372-R400 HydrophobicContact CB-CB 4.47Å; A372-R400 HydrophobicContact CB-CG 3.85Å
373C94.2Very high84.6Confident0 Ų070.5 Ų70.50%036%0.359CS..EExtended strand (participates in β ladder)trans-139.9146.1172.361.10000111.3V255 S256 I317 V335 V399V255-C373 HydrophobicContact CG1-CB 4.27Å; S256-C373 CarbonylContact O-C 3.46Å; S256-C373 WeakPolarHBondContact O-CA 3.38Å; S256-C373 WeakPolarHBondContact O-CB 3.4Å; I317-C373 VanDerWaalsContact CD1-SG 3.55Å; V335-C373 HydrophobicContact CG2-CB 4.38Å; C373-V399 PolarHBondContact N-O 2.88Å; C373-V399 PolarHBondContact O-N 3.41Å
374R94.1Very high85.3Confident90 Ų9063.2 Ų63.234%0.3434%0.335SS..EExtended strand (participates in β ladder)trans-110.3126166.7-63.8164.8179.2177.22.3108V255 S256 W305 V397 E398V255-R374 WeakPolarHBondContact CA-O 2.81Å; S256-R374 PolarHBondContact N-O 3.02Å; S256-R374 PolarHBondContact O-N 3.3Å; S256-R374 WeakPolarHBondContact OG-CB 3.49Å; W305-R374 HydrophobicContact CE3-CG 4.33Å; W305-R374 HydrophobicContact CH2-CG 3.62Å; W305-R374 HydrophobicContact CZ2-CG 4.29Å; W305-R374 VanDerWaalsContact CZ2-NE 3.31Å; W305-R374 HydrophobicContact CZ3-CB 4.2Å; W305-R374 HydrophobicContact CZ3-CG 3.64Å; R374-V397 WeakPolarHBondContact CA-O 3.45Å; R374-E398 HydrophobicContact CG-CB 3.97Å; R374-E398 HydrophobicContact CG-CG 3.85Å; R374-E398 IonicContact CZ-OE1 3.28Å; R374-E398 IonicContact NE-OE1 2.75Å; R374-E398 IonicContact NH2-OE1 2.93Å; R374-E398 PolarHBondContact NH2-OE1 3.45Å
375L91.9Very high85.7Confident0 Ų056.2 Ų56.20%030%0.302CS..EExtended strand (participates in β ladder)trans-100.4113.7175.7-17765.9000107.3L212 A253 V255 L315 L377 Y385 S396 V397L212-L375 HydrophobicContact CD2-CD2 4.31Å; A253-L375 HydrophobicContact CB-CD1 4.1Å; V255-L375 HydrophobicContact CG2-CD1 3.81Å; L315-L375 HydrophobicContact CD1-CD1 3.81Å; L315-L375 HydrophobicContact CD2-CD1 4.01Å; L315-L375 HydrophobicContact CD2-CD2 3.98Å; L375-L377 HydrophobicContact CD1-CD2 4.16Å; L375-L377 HydrophobicContact CD2-CD2 4.26Å; L375-L377 HydrophobicContact CG-CD2 3.97Å; L375-L377 HydrophobicContact CG-CG 4.31Å; L375-Y385 HydrophobicContact CD2-CE1 3.74Å; L375-Y385 VanDerWaalsContact CD2-OH 3.23Å; L375-Y385 WeakPolarHBondContact CD2-OH 3.07Å; L375-S396 CarbonylContact O-C 3.5Å; L375-S396 VanDerWaalsContact O-CA 3.22Å; L375-S396 WeakPolarHBondContact O-CA 3.4Å; L375-V397 HydrophobicContact CB-CG2 4.04Å; L375-V397 HydrophobicContact CD2-CG2 4.46Å; L375-V397 PolarHBondContact N-O 2.89Å; L375-V397 PolarHBondContact O-N 2.8Å
376N90.1Very high86Confident60 Ų6056.8 Ų56.832%0.32130%0.304SS..EExtended strand (participates in β ladder)trans-103119.5175.1-65.7-29.9000107.9S254S254-N376 PolarHBondContact N-O 2.92Å; S254-N376 PolarHBondContact O-N 2.81Å; S254-N376 WeakPolarHBondContact OG-CB 3.3Å
377L86.5Confident86.2Confident16 Ų1654.4 Ų54.48%0.08429%0.291CS..  trans-105.8152.2178.1-65.6-167000110.9W214 A253 L375 A382 Y385 A394 S396W214-L377 HydrophobicContact CD2-CD1 4.35Å; W214-L377 HydrophobicContact CD2-CD2 4.1Å; W214-L377 HydrophobicContact CE3-CD2 3.98Å; W214-L377 HydrophobicContact CH2-CD2 3.47Å; W214-L377 VanDerWaalsContact CH2-CD2 3.47Å; W214-L377 HydrophobicContact CZ2-CD1 4.01Å; W214-L377 HydrophobicContact CZ2-CD2 3.62Å; W214-L377 HydrophobicContact CZ2-CG 4.43Å; W214-L377 HydrophobicContact CZ3-CD2 3.69Å; A253-L377 HydrophobicContact CB-CD2 3.73Å; L375-L377 HydrophobicContact CD1-CD2 4.16Å; L375-L377 HydrophobicContact CD2-CD2 4.26Å; L375-L377 HydrophobicContact CG-CD2 3.97Å; L375-L377 HydrophobicContact CG-CG 4.31Å; L377-A382 HydrophobicContact CB-CB 4.21Å; L377-A382 HydrophobicContact CD1-CB 3.89Å; L377-Y385 HydrophobicContact CD1-CE1 3.66Å; L377-Y385 VanDerWaalsContact CD1-CZ 3.46Å; L377-Y385 WeakPolarHBondContact CD1-OH 3.23Å; L377-Y385 VanDerWaalsContact CG-OH 3.23Å; L377-Y385 WeakPolarHBondContact CG-OH 3.45Å; L377-A394 HydrophobicContact CD1-CB 3.77Å; L377-S396 PolarHBondContact N-OG 3.39Å
378P80Confident86Confident69 Ų6949 Ų4945%0.44827%0.268SS..  trans-62.2140.1170.325.6-32.6000111E380P378-E380 VanDerWaalsContact C-N 3.27Å; P378-E380 PolarHBondContact O-N 3.23Å
379E66.9Low85.6Confident203 Ų20351.4 Ų51.495%0.94928%0.281SS*.SBendtrans-64.8-26.1-173.6-66-174.2166.200113.8
380E63.2Low85.3Confident179 Ų17948.1 Ų48.184%0.83627%0.266SS*.SBendtrans-106.5128.2177.8-65.6-172.2171.600111.1P378P378-E380 VanDerWaalsContact C-N 3.27Å; P378-E380 PolarHBondContact O-N 3.23Å
381G66.1Low85.2Confident73 Ų7353.6 Ų53.675%0.75329%0.291SS*.SBendtrans81.713.2170.800000116.3G383G381-G383 PolarHBondContact O-N 3.27Å; G381-G383 VanDerWaalsContact O-N 3.07Å
382A70.9Confident85.1Confident12 Ų1255.2 Ų55.210%0.09930%0.295CS..  trans-59.1-19.6-18000000114.8W214 L377 A394W214-A382 PolarHBondContact NE1-O 3.37Å; L377-A382 HydrophobicContact CB-CB 4.21Å; L377-A382 HydrophobicContact CD1-CB 3.89Å; A382-A394 HydrophobicContact CB-CB 3.76Å; A382-A394 VanDerWaalsContact O-CB 3.22Å; A382-A394 WeakPolarHBondContact O-CB 3.48Å
383G85.8Confident84.9Confident37 Ų3761.9 Ų61.938%0.38133%0.326SS..  trans70.5-130.417800000111.8G381 A394G381-G383 PolarHBondContact O-N 3.27Å; G381-G383 VanDerWaalsContact O-N 3.07Å; G383-A394 VanDerWaalsContact O-CB 3.29Å; G383-A394 WeakPolarHBondContact O-CB 3.48Å; G383-A394 PolarHBondContact O-N 3.31Å; G383-A394 VanDerWaalsContact O-N 3.17Å
384F89.9Confident84.6Confident108 Ų10862.5 Ų62.547%0.47433%0.331SS..EExtended strand (participates in β ladder)trans-138.1151.3-176.1-61.4-97.5000110.9R218 Y392R218-F384 VanDerWaalsContact CZ-CB 3.43Å; R218-F384 PolarHBondContact NE-O 3.27Å; R218-F384 PolarHBondContact NH1-O 3.4Å; R218-F384 VanDerWaalsContact NH2-C 3.28Å; R218-F384 PolarHBondContact NH2-O 3.33Å; F384-Y392 CarbonylContact C-O 3.44Å; F384-Y392 WeakPolarHBondContact CA-O 3.45Å; F384-Y392 WeakPolarHBondContact CB-O 3.44Å
385Y90.7Very high84.4Confident3 Ų360.7 Ų60.71%0.01233%0.327CS..EExtended strand (participates in β ladder)trans-89.5150.9169-65.4-46.3000112L212 W214 R218 L375 L377 E391 Y392 A394 M395 V397L212-Y385 HydrophobicContact CD1-CD1 4.26Å; L212-Y385 HydrophobicContact CD1-CD2 4.06Å; L212-Y385 HydrophobicContact CD1-CE2 4.4Å; L212-Y385 HydrophobicContact CD1-CG 3.96Å; L212-Y385 HydrophobicContact CD2-CD1 3.92Å; L212-Y385 HydrophobicContact CD2-CE1 4.16Å; L212-Y385 HydrophobicContact CD2-CG 4.4Å; L212-Y385 HydrophobicContact CG-CD1 4.27Å; L212-Y385 HydrophobicContact CG-CG 4.27Å; W214-Y385 HydrophobicContact CB-CD1 3.71Å; W214-Y385 HydrophobicContact CB-CE1 3.79Å; W214-Y385 AromaticContact CD1-CD1 3.65Å; W214-Y385 AromaticContact CD1-CE1 3.64Å; W214-Y385 HydrophobicContact CD2-CE1 4.4Å; W214-Y385 AromaticContact CG-CD1 3.84Å; W214-Y385 HydrophobicContact CG-CD1 3.84Å; W214-Y385 AromaticContact CG-CE1 3.66Å; W214-Y385 HydrophobicContact CG-CE1 3.66Å; R218-Y385 PolarHBondContact NH2-O 2.89Å; L375-Y385 HydrophobicContact CD2-CE1 3.74Å; L375-Y385 VanDerWaalsContact CD2-OH 3.23Å; L375-Y385 WeakPolarHBondContact CD2-OH 3.07Å; L377-Y385 HydrophobicContact CD1-CE1 3.66Å; L377-Y385 VanDerWaalsContact CD1-CZ 3.46Å; L377-Y385 WeakPolarHBondContact CD1-OH 3.23Å; L377-Y385 VanDerWaalsContact CG-OH 3.23Å; L377-Y385 WeakPolarHBondContact CG-OH 3.45Å; Y385-E391 WeakPolarHBondContact O-CA 3.3Å; Y385-Y392 PolarHBondContact N-O 3.49Å; Y385-Y392 PolarHBondContact O-N 2.89Å; Y385-A394 HydrophobicContact CD1-CB 4.23Å; Y385-A394 HydrophobicContact CD2-CB 4.23Å; Y385-A394 HydrophobicContact CE1-CB 4.1Å; Y385-A394 HydrophobicContact CE2-CB 4.13Å; Y385-A394 HydrophobicContact CG-CB 4.29Å; Y385-M395 VanDerWaalsContact CE2-O 3.26Å; Y385-M395 WeakPolarHBondContact CE2-O 3.49Å; Y385-M395 PolarHBondContact OH-O 2.91Å; Y385-V397 HydrophobicContact CE2-CG1 4.19Å; Y385-V397 HydrophobicContact CE2-CG2 4.09Å
386N92.4Very high84.3Confident25 Ų2562.3 Ų62.313%0.13434%0.338CS..EExtended strand (participates in β ladder)trans-108.8117.4162.1-171.9-78000109.1L212 R213 R218 N389 E390L212-N386 CarbonylContact C-O 3.55Å; L212-N386 WeakPolarHBondContact CA-O 3.37Å; R213-N386 HydrophobicContact CB-CB 4.41Å; R213-N386 PolarHBondContact N-O 2.91Å; R213-N386 PolarHBondContact O-N 3.08Å; R218-N386 HydrophobicContact CG-CB 3.51Å; N386-N389 WeakPolarHBondContact OD1-CA 3.41Å; N386-N389 PolarHBondContact OD1-N 2.9Å; N386-E390 CarbonylContact C-O 3.41Å; N386-E390 VanDerWaalsContact CA-O 3.25Å; N386-E390 WeakPolarHBondContact CA-O 3.03Å
387I91.9Very high84.5Confident4 Ų460 Ų602%0.02133%0.326CS..EExtended strand (participates in β ladder)trans-113.2114.9176.3-56.8176.3000106.2I198 V206 A208 L212 N389 E390 Y392I198-I387 HydrophobicContact CD1-CD1 3.81Å; I198-I387 HydrophobicContact CD1-CG1 4.11Å; I198-I387 HydrophobicContact CD1-CG2 3.78Å; I198-I387 HydrophobicContact CG2-CD1 4.38Å; V206-I387 HydrophobicContact CG1-CD1 4.4Å; V206-I387 HydrophobicContact CG1-CG2 4.47Å; A208-I387 HydrophobicContact CB-CG2 3.51Å; L212-I387 HydrophobicContact CB-CG1 4.38Å; L212-I387 HydrophobicContact CD1-CD1 4.22Å; L212-I387 HydrophobicContact CD1-CG1 4.08Å; L212-I387 HydrophobicContact CG-CG1 4.24Å; I387-N389 PolarHBondContact O-N 3.37Å; I387-E390 PolarHBondContact N-O 3.44Å; I387-E390 PolarHBondContact O-N 3.38Å; I387-Y392 HydrophobicContact CB-CD2 3.82Å; I387-Y392 HydrophobicContact CB-CE2 3.93Å; I387-Y392 HydrophobicContact CD1-CD1 4.45Å; I387-Y392 HydrophobicContact CD1-CD2 3.69Å; I387-Y392 HydrophobicContact CD1-CE2 4.2Å; I387-Y392 HydrophobicContact CD1-CG 3.86Å; I387-Y392 HydrophobicContact CG1-CD2 3.84Å; I387-Y392 HydrophobicContact CG1-CE2 4.39Å; I387-Y392 HydrophobicContact CG1-CG 4.41Å
388D87.8Confident84.9Confident7 Ų761.1 Ų61.14%0.03733%0.331CS..THydrogen-bonded Turntrans45.541.8179.5-67.7-2.3000115.2D128 Q132 A208 L209 I210 G211D128-D388 WeakPolarHBondContact CB-O 3.23Å; Q132-D388 HydrophobicContact CB-CB 4.13Å; Q132-D388 HydrophobicContact CG-CB 4.19Å; A208-D388 WeakPolarHBondContact CA-OD2 3.39Å; L209-D388 PolarHBondContact N-OD2 3.33Å; I210-D388 WeakPolarHBondContact CA-OD1 3.35Å; I210-D388 VanDerWaalsContact CB-OD1 3.22Å; I210-D388 WeakPolarHBondContact CB-OD1 3.41Å; I210-D388 HydrophobicContact CD1-CB 4.46Å; I210-D388 PolarHBondContact N-OD1 3.38Å; I210-D388 PolarHBondContact N-OD2 3.39Å; G211-D388 PolarHBondContact N-OD1 2.88Å; G211-D388 PolarHBondContact O-N 2.91Å
389N83.6Confident85.6Confident78 Ų7857.8 Ų57.842%0.41731%0.309SS..THydrogen-bonded Turntrans76.310.1-177.8-60.4-49.7000116.9D128 N386 I387D128-N389 PolarHBondContact OD2-ND2 3.18Å; N386-N389 WeakPolarHBondContact OD1-CA 3.41Å; N386-N389 PolarHBondContact OD1-N 2.9Å; I387-N389 PolarHBondContact O-N 3.37Å
390E86.9Confident87Confident24 Ų2452.3 Ų52.311%0.11228%0.28CS..EExtended strand (participates in β ladder)trans-105.3148.1169.3-75.7-175.6-172.400111.9G129 Q132 N386 I387 Y392G129-E390 WeakPolarHBondContact CA-OE1 3.45Å; G129-E390 VanDerWaalsContact O-OE1 3.11Å; Q132-E390 VanDerWaalsContact OE1-CD 3.28Å; Q132-E390 PolarHBondContact OE1-OE2 3.38Å; N386-E390 CarbonylContact C-O 3.41Å; N386-E390 VanDerWaalsContact CA-O 3.25Å; N386-E390 WeakPolarHBondContact CA-O 3.03Å; I387-E390 PolarHBondContact N-O 3.44Å; I387-E390 PolarHBondContact O-N 3.38Å; E390-Y392 HydrophobicContact CB-CD2 4.3Å; E390-Y392 HydrophobicContact CB-CE2 3.6Å; E390-Y392 PolarHBondContact OE2-OH 2.84Å
391E89.7Confident88.5Confident116 Ų11644.6 Ų44.654%0.54224%0.244SC..EExtended strand (participates in β ladder)trans-94.2125.6-178.1-65.2-179.3-173.700110.4S222 Y385S222-E391 WeakPolarHBondContact CB-OE1 3.37Å; Y385-E391 WeakPolarHBondContact O-CA 3.3Å
392Y90Very high89.8Confident50 Ų5043.2 Ų43.220%0.19622%0.219CC..EExtended strand (participates in β ladder)trans-123.1150.3176.6-71.6-96.1000109.7Q132 V206 F384 Y385 I387 E390Q132-Y392 PolarHBondContact NE2-OH 3.35Å; Q132-Y392 PolarHBondContact OE1-OH 3.16Å; V206-Y392 HydrophobicContact CG1-CE1 4.37Å; V206-Y392 HydrophobicContact CG2-CE1 4Å; F384-Y392 CarbonylContact C-O 3.44Å; F384-Y392 WeakPolarHBondContact CA-O 3.45Å; F384-Y392 WeakPolarHBondContact CB-O 3.44Å; Y385-Y392 PolarHBondContact N-O 3.49Å; Y385-Y392 PolarHBondContact O-N 2.89Å; I387-Y392 HydrophobicContact CB-CD2 3.82Å; I387-Y392 HydrophobicContact CB-CE2 3.93Å; I387-Y392 HydrophobicContact CD1-CD1 4.45Å; I387-Y392 HydrophobicContact CD1-CD2 3.69Å; I387-Y392 HydrophobicContact CD1-CE2 4.2Å; I387-Y392 HydrophobicContact CD1-CG 3.86Å; I387-Y392 HydrophobicContact CG1-CD2 3.84Å; I387-Y392 HydrophobicContact CG1-CE2 4.39Å; I387-Y392 HydrophobicContact CG1-CG 4.41Å; E390-Y392 HydrophobicContact CB-CD2 4.3Å; E390-Y392 HydrophobicContact CB-CE2 3.6Å; E390-Y392 PolarHBondContact OE2-OH 2.84Å
393E90Very high90.8Very high146 Ų14645 Ų4568%0.68223%0.23SC*.EExtended strand (participates in β ladder)trans-65.5136.7173.9-168170.3-176.800110.2M395E393-M395 PolarHBondContact O-N 3.47Å
394A87.9Confident91Very high13 Ų1346.4 Ų46.411%0.10722%0.224CC..  trans-79.8122.8-177.600000110.3L377 A382 G383 Y385L377-A394 HydrophobicContact CD1-CB 3.77Å; A382-A394 HydrophobicContact CB-CB 3.76Å; A382-A394 VanDerWaalsContact O-CB 3.22Å; A382-A394 WeakPolarHBondContact O-CB 3.48Å; G383-A394 VanDerWaalsContact O-CB 3.29Å; G383-A394 WeakPolarHBondContact O-CB 3.48Å; G383-A394 PolarHBondContact O-N 3.31Å; G383-A394 VanDerWaalsContact O-N 3.17Å; Y385-A394 HydrophobicContact CD1-CB 4.23Å; Y385-A394 HydrophobicContact CD2-CB 4.23Å; Y385-A394 HydrophobicContact CE1-CB 4.1Å; Y385-A394 HydrophobicContact CE2-CB 4.13Å; Y385-A394 HydrophobicContact CG-CB 4.29Å
395M89.6Confident91.2Very high52 Ų5243 Ų4326%0.25621%0.209SC..  trans-146.5164.1178.767.4-177-5000109.9E203 Y385 E393 V397E203-M395 HydrophobicContact CG-SD 4.39Å; Y385-M395 VanDerWaalsContact CE2-O 3.26Å; Y385-M395 WeakPolarHBondContact CE2-O 3.49Å; Y385-M395 PolarHBondContact OH-O 2.91Å; E393-M395 PolarHBondContact O-N 3.47Å; M395-V397 HydrophobicContact CG-CG1 3.96Å; M395-V397 WeakPolarHBondContact O-CG1 3.34Å; M395-V397 PolarHBondContact O-N 2.89Å
396S90.9Very high91.4Very high34 Ų3442.9 Ų42.924%0.23821%0.208CC..  trans-61125174-60.50000110.6L375 L377L375-S396 CarbonylContact O-C 3.5Å; L375-S396 VanDerWaalsContact O-CA 3.22Å; L375-S396 WeakPolarHBondContact O-CA 3.4Å; L377-S396 PolarHBondContact N-OG 3.39Å
397V93.6Very high91.5Very high10 Ų1046.4 Ų46.46%0.06122%0.22CC..EExtended strand (participates in β ladder)trans-131.5141.4-173.1-71.70000111.8I198 K199 L212 R374 L375 Y385 M395 V399I198-V397 HydrophobicContact CG2-CB 4.05Å; I198-V397 HydrophobicContact CG2-CG1 4.07Å; I198-V397 HydrophobicContact CG2-CG2 4.33Å; K199-V397 WeakPolarHBondContact O-CA 3.37Å; L212-V397 HydrophobicContact CD1-CG2 4.41Å; R374-V397 WeakPolarHBondContact CA-O 3.45Å; L375-V397 HydrophobicContact CB-CG2 4.04Å; L375-V397 HydrophobicContact CD2-CG2 4.46Å; L375-V397 PolarHBondContact N-O 2.89Å; L375-V397 PolarHBondContact O-N 2.8Å; Y385-V397 HydrophobicContact CE2-CG1 4.19Å; Y385-V397 HydrophobicContact CE2-CG2 4.09Å; M395-V397 HydrophobicContact CG-CG1 3.96Å; M395-V397 WeakPolarHBondContact O-CG1 3.34Å; M395-V397 PolarHBondContact O-N 2.89Å; V397-V399 HydrophobicContact CG2-CG2 4.24Å
398E94.9Very high91.7Very high40 Ų4046.2 Ų46.219%0.18722%0.219CC..EExtended strand (participates in β ladder)trans-95.6122.6166.1-176.2172.8-160.800109.3K199 R374 R400K199-E398 PolarHBondContact N-O 3.08Å; K199-E398 PolarHBondContact O-N 3.07Å; R374-E398 HydrophobicContact CG-CB 3.97Å; R374-E398 HydrophobicContact CG-CG 3.85Å; R374-E398 IonicContact CZ-OE1 3.28Å; R374-E398 IonicContact NE-OE1 2.75Å; R374-E398 IonicContact NH2-OE1 2.93Å; R374-E398 PolarHBondContact NH2-OE1 3.45Å; E398-R400 HydrophobicContact CG-CG 4.24Å; E398-R400 IonicContact OE1-CZ 3.41Å; E398-R400 VanDerWaalsContact OE1-CZ 3.23Å; E398-R400 IonicContact OE1-NE 2.98Å; E398-R400 PolarHBondContact OE1-NE 3.36Å; E398-R400 IonicContact OE1-NH2 2.8Å; E398-R400 PolarHBondContact OE1-NH2 3.44Å
399V95.8Very high92.1Very high0 Ų046.2 Ų46.20%022%0.218CC..EExtended strand (participates in β ladder)trans-110.7122.4177.8-171.40000109.2L196 Q197 I198 I317 L333 A372 C373 V397L196-V399 HydrophobicContact CB-CG1 4.19Å; L196-V399 HydrophobicContact CD2-CG1 4.11Å; Q197-V399 CarbonylContact O-C 3.58Å; Q197-V399 VanDerWaalsContact O-CA 3.27Å; Q197-V399 WeakPolarHBondContact O-CA 3.15Å; I198-V399 HydrophobicContact CG1-CG1 4.05Å; I198-V399 HydrophobicContact CG1-CG2 4.14Å; I198-V399 HydrophobicContact CG2-CG2 4.3Å; I317-V399 HydrophobicContact CD1-CG2 4.03Å; I317-V399 HydrophobicContact CG2-CB 4.45Å; I317-V399 HydrophobicContact CG2-CG1 3.89Å; L333-V399 HydrophobicContact CD2-CG1 4.16Å; A372-V399 CarbonylContact C-O 3.45Å; A372-V399 VanDerWaalsContact CA-O 3.25Å; A372-V399 WeakPolarHBondContact CA-O 3.33Å; C373-V399 PolarHBondContact N-O 2.88Å; C373-V399 PolarHBondContact O-N 3.41Å; V397-V399 HydrophobicContact CG2-CG2 4.24Å
400R95.4Very high92.6Very high87 Ų8742.5 Ų42.533%0.32820%0.198SC..EExtended strand (participates in β ladder)trans-122.3138.3177.8-66-173.6174.5-145.8-12.3110.4Q197 E303 A372 E398Q197-R400 PolarHBondContact N-O 3.45Å; Q197-R400 PolarHBondContact O-N 3.14Å; E303-R400 IonicContact OE1-CZ 2.62Å; E303-R400 IonicContact OE1-NH1 3.53Å; E303-R400 IonicContact OE1-NH2 3.37Å; E303-R400 PolarHBondContact OE1-NH2 3.35Å; E303-R400 IonicContact OE2-NH2 3.69Å; E303-R400 PolarHBondContact OE2-NH2 2.91Å; A372-R400 HydrophobicContact CB-CB 4.47Å; A372-R400 HydrophobicContact CB-CG 3.85Å; E398-R400 HydrophobicContact CG-CG 4.24Å; E398-R400 IonicContact OE1-CZ 3.41Å; E398-R400 VanDerWaalsContact OE1-CZ 3.23Å; E398-R400 IonicContact OE1-NE 2.98Å; E398-R400 PolarHBondContact OE1-NE 3.36Å; E398-R400 IonicContact OE1-NH2 2.8Å; E398-R400 PolarHBondContact OE1-NH2 3.44Å
401L95.2Very high92.9Very high18 Ų1841.5 Ų41.59%0.09419%0.194CC..EExtended strand (participates in β ladder)trans-79.7132171.7-170.574.9000110.5D194 L196 T319 D331 L333 S371 P403D194-L401 HydrophobicContact CB-CD1 3.87Å; D194-L401 HydrophobicContact CB-CG 4.49Å; L196-L401 HydrophobicContact CD2-CD1 3.74Å; T319-L401 HydrophobicContact CG2-CD1 4.4Å; D331-L401 HydrophobicContact CB-CD2 4.34Å; L333-L401 HydrophobicContact CB-CB 4.42Å; L333-L401 HydrophobicContact CB-CD1 4.26Å; L333-L401 HydrophobicContact CD2-CB 4.35Å; S371-L401 WeakPolarHBondContact O-CB 3.39Å; S371-L401 PolarHBondContact O-N 2.96Å; S371-L401 VanDerWaalsContact O-N 3.07Å; L401-P403 WeakPolarHBondContact O-CD 3.29Å
402L93.9Very high92.9Very high43 Ų4337 Ų3723%0.22518%0.177CC..EExtended strand (participates in β ladder)trans-108.293.2168.3-58.1-179.1000108.1D194 V195 Q197 F207 K405D194-L402 WeakPolarHBondContact CA-O 3.31Å; V195-L402 HydrophobicContact CB-CB 4.35Å; V195-L402 PolarHBondContact N-O 3.33Å; V195-L402 WeakPolarHBondContact O-CA 3.43Å; V195-L402 WeakPolarHBondContact O-CB 3.32Å; V195-L402 PolarHBondContact O-N 3.45Å; Q197-L402 HydrophobicContact CB-CD1 4.11Å; Q197-L402 HydrophobicContact CB-CG 4.27Å; F207-L402 HydrophobicContact CD1-CD1 4.14Å; F207-L402 HydrophobicContact CE1-CD1 3.73Å; L402-K405 HydrophobicContact CB-CB 3.96Å; L402-K405 HydrophobicContact CB-CG 4.27Å; L402-K405 HydrophobicContact CD1-CG 4.45Å
403P91.7Very high93Very high50 Ų5040.1 Ų40.133%0.32519%0.193SC..EExtended strand (participates in β ladder)trans-69138.5-174.327.5-34.1000111.4D194 D331 L401 K405D194-P403 VanDerWaalsContact OD1-CA 3.28Å; D194-P403 WeakPolarHBondContact OD1-CA 3.38Å; D331-P403 HydrophobicContact CB-CB 3.95Å; D331-P403 HydrophobicContact CB-CG 4.32Å; D331-P403 WeakPolarHBondContact OD2-CB 3.44Å; L401-P403 WeakPolarHBondContact O-CD 3.29Å; P403-K405 PolarHBondContact O-N 3.5Å
404R90.4Very high93.1Very high67 Ų6734.5 Ų34.525%0.25317%0.166SC..EExtended strand (participates in β ladder)trans50.730.2174.9-62.9170-77.3171.8-6.3114P192 L193 D194 D266 D331 L406P192-R404 HydrophobicContact CB-CB 3.88Å; P192-R404 HydrophobicContact CB-CG 3.91Å; P192-R404 HydrophobicContact CG-CG 4.17Å; L193-R404 CarbonylContact O-C 3.51Å; L193-R404 WeakPolarHBondContact O-CA 3.38Å; D194-R404 PolarHBondContact OD1-N 2.91Å; D266-R404 IonicContact OD1-CZ 2.81Å; D266-R404 IonicContact OD1-NH1 2.79Å; D266-R404 PolarHBondContact OD1-NH1 3.37Å; D331-R404 IonicContact OD2-NH2 3.21Å; D331-R404 PolarHBondContact OD2-NH2 2.91Å; R404-L406 PolarHBondContact O-N 2.94Å
405K92.6Very high93.2Very high37 Ų3738.7 Ų38.716%0.16118%0.179CC..EExtended strand (participates in β ladder)trans-72.7-28.1-171.7-17259.2172.8-174.80113.2L139 E145 S148 L193 V195 L402 P403L139-K405 HydrophobicContact CD2-CG 4.01Å; E145-K405 IonicContact OE1-NZ 3.23Å; E145-K405 PolarHBondContact OE1-NZ 3.34Å; E145-K405 IonicContact OE2-NZ 3.72Å; E145-K405 PolarHBondContact OE2-NZ 3.12Å; S148-K405 WeakPolarHBondContact CB-O 3.37Å; S148-K405 WeakPolarHBondContact OG-CE 3.26Å; S148-K405 PolarHBondContact OG-O 2.91Å; S148-K405 VanDerWaalsContact OG-O 3.06Å; L193-K405 PolarHBondContact O-N 3.25Å; L193-K405 VanDerWaalsContact O-N 3.1Å; V195-K405 HydrophobicContact CG2-CB 4.13Å; L402-K405 HydrophobicContact CB-CB 3.96Å; L402-K405 HydrophobicContact CB-CG 4.27Å; L402-K405 HydrophobicContact CD1-CG 4.45Å; P403-K405 PolarHBondContact O-N 3.5Å
406L94.8Very high93.2Very high0 Ų042.3 Ų42.30%020%0.195CC..EExtended strand (participates in β ladder)trans-124.3155.2-178.9-62.4177.4000110.8I135 L138 L139 I152 P192 L193 V195 L209 R404 F408I135-L406 HydrophobicContact CB-CD1 4.42Å; I135-L406 HydrophobicContact CD1-CD1 4.12Å; I135-L406 HydrophobicContact CG1-CD1 3.96Å; I135-L406 HydrophobicContact CG2-CD1 3.68Å; L138-L406 HydrophobicContact CD2-CD2 4.02Å; L139-L406 HydrophobicContact CD1-CD1 4.41Å; L139-L406 HydrophobicContact CD2-CD2 4.13Å; I152-L406 HydrophobicContact CD1-CD1 4.28Å; I152-L406 HydrophobicContact CD1-CD2 4.25Å; P192-L406 CarbonylContact C-O 3.4Å; P192-L406 VanDerWaalsContact CA-O 3.31Å; P192-L406 WeakPolarHBondContact CA-O 3.29Å; L193-L406 PolarHBondContact N-O 3.45Å; L193-L406 PolarHBondContact O-N 3.32Å; V195-L406 HydrophobicContact CG2-CB 4.39Å; V195-L406 HydrophobicContact CG2-CD1 3.57Å; V195-L406 HydrophobicContact CG2-CG 3.74Å; L209-L406 HydrophobicContact CD2-CD1 4.43Å; R404-L406 PolarHBondContact O-N 2.94Å; L406-F408 HydrophobicContact CB-CD2 4.24Å; L406-F408 HydrophobicContact CB-CE2 3.86Å; L406-F408 HydrophobicContact CD1-CE2 4.09Å
407R94.4Very high93.2Very high98 Ų9844.5 Ų44.537%0.3720%0.202SC..EExtended strand (participates in β ladder)trans-115127.6174.8-64.8-177.3-179.2174.62.1109.5P151 I152 E269P151-R407 CarbonylContact C-O 3.56Å; P151-R407 WeakPolarHBondContact CA-O 3.37Å; I152-R407 PolarHBondContact N-O 3.04Å; E269-R407 IonicContact OE1-NH2 2.69Å
408F96.2Very high92.9Very high0 Ų044.1 Ų44.10%020%0.2CC..EExtended strand (participates in β ladder)trans-115146.5179.1-85-104.5000111.3L131 I135 I152 L167 T190 V191 L193 L209 L406L131-F408 HydrophobicContact CD1-CE1 3.93Å; L131-F408 HydrophobicContact CD1-CZ 4.04Å; L131-F408 HydrophobicContact CD2-CE1 4.18Å; I135-F408 HydrophobicContact CD1-CZ 3.96Å; I152-F408 HydrophobicContact CB-CD1 4.23Å; I152-F408 HydrophobicContact CB-CD2 4.43Å; I152-F408 HydrophobicContact CB-CE1 3.97Å; I152-F408 HydrophobicContact CB-CE2 4.19Å; I152-F408 HydrophobicContact CB-CG 4.45Å; I152-F408 HydrophobicContact CB-CZ 3.93Å; I152-F408 HydrophobicContact CD1-CE2 4.13Å; I152-F408 HydrophobicContact CD1-CZ 4.12Å; I152-F408 HydrophobicContact CG2-CD1 4.29Å; I152-F408 HydrophobicContact CG2-CE1 3.69Å; I152-F408 HydrophobicContact CG2-CZ 3.83Å; I152-F408 CarbonylContact O-C 3.57Å; I152-F408 VanDerWaalsContact O-CA 3.24Å; I152-F408 WeakPolarHBondContact O-CA 3.37Å; L167-F408 HydrophobicContact CD1-CB 4.01Å; L167-F408 HydrophobicContact CD1-CD1 3.61Å; L167-F408 HydrophobicContact CD1-CE1 4.49Å; L167-F408 HydrophobicContact CD1-CG 4.12Å; L167-F408 HydrophobicContact CD2-CB 3.81Å; T190-F408 CarbonylContact C-O 3.52Å; T190-F408 WeakPolarHBondContact CA-O 3.35Å; V191-F408 PolarHBondContact N-O 3.22Å; V191-F408 PolarHBondContact O-N 2.99Å; L193-F408 HydrophobicContact CB-CD2 4.23Å; L193-F408 HydrophobicContact CD1-CB 3.98Å; L193-F408 HydrophobicContact CD1-CD1 4.31Å; L193-F408 HydrophobicContact CD1-CD2 3.46Å; L193-F408 VanDerWaalsContact CD1-CD2 3.46Å; L193-F408 HydrophobicContact CD1-CE2 4.02Å; L193-F408 HydrophobicContact CD1-CG 3.63Å; L193-F408 HydrophobicContact CG-CB 4.23Å; L193-F408 HydrophobicContact CG-CD2 3.88Å; L193-F408 HydrophobicContact CG-CG 4.24Å; L209-F408 HydrophobicContact CD1-CE1 4.28Å; L209-F408 HydrophobicContact CD1-CE2 4.08Å; L209-F408 HydrophobicContact CD1-CZ 3.65Å; L209-F408 HydrophobicContact CD2-CE2 4.44Å; L406-F408 HydrophobicContact CB-CD2 4.24Å; L406-F408 HydrophobicContact CB-CE2 3.86Å; L406-F408 HydrophobicContact CD1-CE2 4.09Å
409F96Very high92.5Very high7 Ų746.1 Ų46.13%0.03121%0.211CC..EExtended strand (participates in β ladder)trans-70.1135.4168.1-66-76.8000110.6M121 P151 I152 I185 E189 T190M121-F409 HydrophobicContact CE-CE1 3.96Å; M121-F409 HydrophobicContact CE-CE2 3.61Å; M121-F409 HydrophobicContact CE-CZ 3.21Å; M121-F409 HydrophobicContact CG-CE2 3.52Å; M121-F409 HydrophobicContact CG-CZ 3.92Å; M121-F409 HydrophobicContact SD-CE2 3.77Å; M121-F409 HydrophobicContact SD-CZ 4.03Å; P151-F409 HydrophobicContact CB-CD2 4.37Å; P151-F409 HydrophobicContact CB-CE1 4.06Å; P151-F409 HydrophobicContact CB-CE2 3.57Å; P151-F409 HydrophobicContact CB-CZ 3.38Å; P151-F409 HydrophobicContact CG-CE1 4.3Å; P151-F409 HydrophobicContact CG-CE2 3.89Å; P151-F409 HydrophobicContact CG-CZ 3.42Å; P151-F409 VanDerWaalsContact CG-CZ 3.42Å; I152-F409 PolarHBondContact O-N 3.11Å; I185-F409 HydrophobicContact CB-CB 4.47Å; I185-F409 HydrophobicContact CB-CD2 4.38Å; I185-F409 HydrophobicContact CB-CG 4.36Å; I185-F409 HydrophobicContact CG1-CB 3.96Å; I185-F409 HydrophobicContact CG1-CD2 4.16Å; I185-F409 HydrophobicContact CG1-CG 4.22Å; I185-F409 HydrophobicContact CG2-CD2 3.96Å; I185-F409 HydrophobicContact CG2-CE2 4.17Å; I185-F409 HydrophobicContact CG2-CG 4.33Å; E189-F409 CarbonylContact O-C 3.57Å; E189-F409 VanDerWaalsContact O-CA 3.22Å; E189-F409 WeakPolarHBondContact O-CA 3.46Å; E189-F409 WeakPolarHBondContact O-CD1 3.47Å; T190-F409 HydrophobicContact CG2-CD1 3.79Å; T190-F409 HydrophobicContact CG2-CE1 3.68Å; T190-F409 HydrophobicContact CG2-CZ 4.39Å
410C94.1Very high92Very high0 Ų050.6 Ų50.60%024%0.239CC..  trans-128.1147179.2-173.80000109.1L167 E189 V191L167-C410 HydrophobicContact CD2-CB 4.43Å; L167-C410 WeakPolarHBondContact O-CA 3.32Å; L167-C410 PolarHBondContact O-SG 2.97Å; E189-C410 PolarHBondContact O-N 2.85Å; V191-C410 HydrophobicContact CB-CB 4.24Å; V191-C410 HydrophobicContact CG2-CB 3.53Å
411S93.5Very high91.3Very high4 Ų452.5 Ų52.53%0.02825%0.251CS..  trans-70.1133.2170.7176.70000110.5L167 S184 E413 R414 R415L167-S411 PolarHBondContact O-N 3.35Å; S184-S411 WeakPolarHBondContact OG-CA 3.37Å; S184-S411 VanDerWaalsContact OG-CB 3.26Å; S184-S411 WeakPolarHBondContact OG-CB 3.27Å; S411-E413 VanDerWaalsContact C-N 3.29Å; S411-E413 PolarHBondContact O-N 3.02Å; S411-R414 PolarHBondContact O-N 3.46Å; S411-R415 PolarHBondContact O-N 3.37Å
412A90.7Very high90Very high22 Ų2254.6 Ų54.618%0.18227%0.265CS..Hα-helixtrans-52.8-47.9175.400000111.9E189 R414 R415 E416E189-A412 VanDerWaalsContact CD-CB 3.47Å; E189-A412 WeakPolarHBondContact OE1-CB 3.22Å; E189-A412 VanDerWaalsContact OE2-CA 3.29Å; E189-A412 WeakPolarHBondContact OE2-CA 3.19Å; E189-A412 WeakPolarHBondContact OE2-CB 3.24Å; A412-R414 VanDerWaalsContact C-N 3.3Å; A412-R414 PolarHBondContact O-N 3.47Å; A412-R415 WeakPolarHBondContact O-CB 3.24Å; A412-R415 PolarHBondContact O-N 3.06Å; A412-E416 PolarHBondContact O-N 3.39Å
413E91.3Very high87.9Confident114 Ų11462.2 Ų62.253%0.53330%0.304SS..Hα-helixtrans-62.7-38178.7-58.5178-157.800111.5I169 S411 E416 Q417I169-E413 HydrophobicContact CD1-CB 3.78Å; I169-E413 HydrophobicContact CD1-CG 4.2Å; I169-E413 WeakPolarHBondContact CD1-OE2 3.32Å; I169-E413 HydrophobicContact CG1-CB 4.2Å; S411-E413 VanDerWaalsContact C-N 3.29Å; S411-E413 PolarHBondContact O-N 3.02Å; E413-E416 PolarHBondContact O-N 3.46Å; E413-Q417 VanDerWaalsContact O-CG 3.3Å; E413-Q417 WeakPolarHBondContact O-CG 3.34Å; E413-Q417 PolarHBondContact O-N 3.42Å
414R91.4Very high87.8Confident28 Ų2862.8 Ų62.811%0.10630%0.303CS..Hα-helixtrans-69-41.1178.4-175.356.6174.1163.83.4110.9E165 H168 I169 S411 A412 E416 Q417 L418E165-R414 VanDerWaalsContact O-CZ 3.23Å; E165-R414 PolarHBondContact O-NE 3.16Å; E165-R414 PolarHBondContact O-NH2 2.9Å; H168-R414 WeakPolarHBondContact O-CD 3.49Å; I169-R414 HydrophobicContact CG1-CB 4.3Å; S411-R414 PolarHBondContact O-N 3.46Å; A412-R414 VanDerWaalsContact C-N 3.3Å; A412-R414 PolarHBondContact O-N 3.47Å; R414-E416 VanDerWaalsContact C-N 3.32Å; R414-E416 PolarHBondContact O-N 2.97Å; R414-Q417 WeakPolarHBondContact O-CB 3.38Å; R414-Q417 PolarHBondContact O-N 3.48Å; R414-L418 HydrophobicContact CG-CD1 4.12Å; R414-L418 HydrophobicContact CG-CG 4.46Å; R414-L418 WeakPolarHBondContact O-CB 3.49Å; R414-L418 VanDerWaalsContact O-CG 3.28Å; R414-L418 WeakPolarHBondContact O-CG 3.46Å; R414-L418 PolarHBondContact O-N 2.91Å
415R90.2Very high87.6Confident101 Ų10162.6 Ų62.638%0.38131%0.306SS..Hα-helixtrans-58.8-44175.3-174.1-176.7178.6-167.6-1.5111.4E189 V325 S411 A412 L418 L419E189-R415 IonicContact OE2-NH1 3.97Å; V325-R415 HydrophobicContact CG1-CG 4.13Å; V325-R415 HydrophobicContact CG2-CG 3.84Å; S411-R415 PolarHBondContact O-N 3.37Å; A412-R415 WeakPolarHBondContact O-CB 3.24Å; A412-R415 PolarHBondContact O-N 3.06Å; R415-L418 PolarHBondContact O-N 2.89Å; R415-L419 WeakPolarHBondContact O-CG 3.34Å; R415-L419 PolarHBondContact O-N 3.27Å
416E90.6Very high87.3Confident129 Ų12964 Ų6460%0.60331%0.314SS*.Hα-helixtrans-64.5-43.8175.1-70.8-179.4176.200112.8A412 E413 R414 L418 L419 T420A412-E416 PolarHBondContact O-N 3.39Å; E413-E416 PolarHBondContact O-N 3.46Å; R414-E416 VanDerWaalsContact C-N 3.32Å; R414-E416 PolarHBondContact O-N 2.97Å; E416-L418 VanDerWaalsContact C-N 3.29Å; E416-L418 PolarHBondContact O-N 3.33Å; E416-L419 PolarHBondContact O-N 2.94Å; E416-T420 PolarHBondContact O-N 3.34Å; E416-T420 PolarHBondContact O-OG1 2.86Å
417Q89.8Confident86.9Confident79 Ų7967.8 Ų67.837%0.36933%0.333SS..Hα-helixtrans-57.3-44.2174.5-75174.14.100111.9E413 R414 T420 Q421E413-Q417 VanDerWaalsContact O-CG 3.3Å; E413-Q417 WeakPolarHBondContact O-CG 3.34Å; E413-Q417 PolarHBondContact O-N 3.42Å; R414-Q417 WeakPolarHBondContact O-CB 3.38Å; R414-Q417 PolarHBondContact O-N 3.48Å; Q417-T420 PolarHBondContact O-N 3.07Å; Q417-Q421 WeakPolarHBondContact O-CG 3.32Å; Q417-Q421 PolarHBondContact O-N 3.02Å; Q417-Q421 VanDerWaalsContact O-N 3.1Å
418L87.4Confident86.4Confident3 Ų365.9 Ų65.92%0.01633%0.33CS..Hα-helixtrans-68.9-33.9-179.5-72.8173.2000112.7S166 N323 V325 R414 R415 E416 Q421 V422S166-L418 WeakPolarHBondContact O-CD1 3.02Å; N323-L418 HydrophobicContact CB-CD2 4.25Å; N323-L418 PolarHBondContact ND2-O 3.35Å; V325-L418 HydrophobicContact CG2-CB 4.16Å; V325-L418 HydrophobicContact CG2-CD1 4.2Å; R414-L418 HydrophobicContact CG-CD1 4.12Å; R414-L418 HydrophobicContact CG-CG 4.46Å; R414-L418 WeakPolarHBondContact O-CB 3.49Å; R414-L418 VanDerWaalsContact O-CG 3.28Å; R414-L418 WeakPolarHBondContact O-CG 3.46Å; R414-L418 PolarHBondContact O-N 2.91Å; R415-L418 PolarHBondContact O-N 2.89Å; E416-L418 VanDerWaalsContact C-N 3.29Å; E416-L418 PolarHBondContact O-N 3.33Å; L418-Q421 PolarHBondContact O-N 3.42Å; L418-V422 WeakPolarHBondContact O-CG2 3.35Å
419L86.8Confident85.8Confident81 Ų8170.3 Ų70.342%0.42435%0.352SS..Hα-helixtrans-64.1-42.1171.2-76.8168000111.6V325 R415 E416 Q421 V422V325-L419 HydrophobicContact CB-CD2 4.34Å; V325-L419 HydrophobicContact CB-CG 4.43Å; V325-L419 HydrophobicContact CG1-CD1 4.23Å; V325-L419 HydrophobicContact CG1-CD2 3.45Å; V325-L419 VanDerWaalsContact CG1-CD2 3.45Å; V325-L419 HydrophobicContact CG1-CG 3.65Å; R415-L419 WeakPolarHBondContact O-CG 3.34Å; R415-L419 PolarHBondContact O-N 3.27Å; E416-L419 PolarHBondContact O-N 2.94Å; L419-Q421 VanDerWaalsContact C-N 3.28Å; L419-Q421 PolarHBondContact O-N 3.13Å; L419-V422 PolarHBondContact O-N 3.2Å
420T86.6Confident85Confident95 Ų9574.8 Ų74.858%0.58338%0.375SS*.Hα-helixtrans-69-27.5-178.8-41.10000112.2E416 Q417 V422E416-T420 PolarHBondContact O-N 3.34Å; E416-T420 PolarHBondContact O-OG1 2.86Å; Q417-T420 PolarHBondContact O-N 3.07Å; T420-V422 VanDerWaalsContact C-N 3.26Å; T420-V422 PolarHBondContact O-N 2.95Å
421Q80.3Confident84.3Confident126 Ų12680.5 Ų80.559%0.58940%0.404SS*.THydrogen-bonded Turntrans-73.7-14.4175.6-73.7176.4300114.1Q417 L418 L419Q417-Q421 WeakPolarHBondContact O-CG 3.32Å; Q417-Q421 PolarHBondContact O-N 3.02Å; Q417-Q421 VanDerWaalsContact O-N 3.1Å; L418-Q421 PolarHBondContact O-N 3.42Å; L419-Q421 VanDerWaalsContact C-N 3.28Å; L419-Q421 PolarHBondContact O-N 3.13Å
422V66.8Low83.6Confident63 Ų6386.9 Ų86.938%0.38244%0.435SS..THydrogen-bonded Turntrans-91.3-24.4-179.9176.80000111.5N323 Q326 L418 L419 T420N323-V422 WeakPolarHBondContact ND2-CG2 3.32Å; Q326-V422 HydrophobicContact CB-CG2 3.94Å; Q326-V422 HydrophobicContact CG-CG1 4.06Å; Q326-V422 HydrophobicContact CG-CG2 3.85Å; L418-V422 WeakPolarHBondContact O-CG2 3.35Å; L419-V422 PolarHBondContact O-N 3.2Å; T420-V422 VanDerWaalsContact C-N 3.26Å; T420-V422 PolarHBondContact O-N 2.95Å
423L51.1Low82.9Confident202 Ų20292.8 Ų92.8100%1.05846%0.458SS*.  trans-800172.3-62.3172.9000110.3

Retrieved 423 of 423 residues in 412.7 ms (Link to these results)

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