A0A060YUN9_ONCMY Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A060YUN9, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 425 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
1M46.7Very low41.8Very low204 Ų204139.4 Ų139.4100%1.00567%0.666SS**  0-52.50-92.7177.3175.600113.6R3 V4 M5M1-R3 PolarHBondContact O-N 3Å; M1-V4 PolarHBondContact O-N 3.02Å; M1-V4 VanDerWaalsContact O-N 3.12Å; M1-M5 PolarHBondContact O-N 3.29Å
2Y37.8Very low42.4Very low219 Ų219135.4 Ų135.486%0.85966%0.658SS**Hα-helixtrans-58.3-35.8-177.2-86.2-88.1000116.1V4 S6Y2-V4 PolarHBondContact O-N 3.03Å; Y2-S6 PolarHBondContact O-N 3.11Å
3R41.1Very low42.8Very low231 Ų231130 Ų13087%0.87264%0.642SS**Hα-helixtrans-71.5-25.7176.4-85.4-176.5175.5177.6-1.1114.5M1M1-R3 PolarHBondContact O-N 3Å
4V43.3Very low43Very low95 Ų95128.7 Ų128.758%0.57664%0.638SS**Hα-helixtrans-81.4-36.4179.81790000110.6M1 Y2 L7 L8M1-V4 PolarHBondContact O-N 3.02Å; M1-V4 VanDerWaalsContact O-N 3.12Å; Y2-V4 PolarHBondContact O-N 3.03Å; V4-L7 PolarHBondContact O-N 3.49Å; V4-L8 HydrophobicContact CG1-CD1 4.06Å; V4-L8 PolarHBondContact O-N 3.23Å; V4-L8 VanDerWaalsContact O-N 3.14Å
5M37.1Very low43.1Very low142 Ų142124.9 Ų124.970%0.763%0.628SS**Hα-helixtrans-70.1-31.9176.4-68.2-160.5119.900113.5M1 A9M1-M5 PolarHBondContact O-N 3.29Å; M5-A9 WeakPolarHBondContact O-CB 3.11Å; M5-A9 PolarHBondContact O-N 3.36Å; M5-A9 VanDerWaalsContact O-N 3.07Å
6S41.6Very low43.2Very low65 Ų65121.9 Ų121.946%0.45562%0.622SS.*Hα-helixtrans-67.5-34.3173.4177.30000113.1Y2 K10Y2-S6 PolarHBondContact O-N 3.11Å; S6-K10 PolarHBondContact O-N 3.28Å
7L41.6Very low43.8Very low113 Ų113120.4 Ų120.459%0.59261%0.614SS**Hα-helixtrans-72.2-41176.2-126.989.8000111.8V4 K10 Y11V4-L7 PolarHBondContact O-N 3.49Å; L7-K10 PolarHBondContact O-N 3.25Å; L7-Y11 PolarHBondContact O-N 3.4Å
8L38Very low43.9Very low108 Ų108123.4 Ų123.457%0.56562%0.618SS**Hα-helixtrans-62.7-40.8175.7-88.4151.4000112.2V4 K10 Y11 T12V4-L8 HydrophobicContact CG1-CD1 4.06Å; V4-L8 PolarHBondContact O-N 3.23Å; V4-L8 VanDerWaalsContact O-N 3.14Å; L8-K10 PolarHBondContact O-N 3.34Å; L8-Y11 PolarHBondContact O-N 3.2Å; L8-T12 PolarHBondContact O-N 2.79Å; L8-T12 PolarHBondContact O-OG1 3.13Å
9A45.1Very low43.9Very low58 Ų58123.3 Ų123.348%0.47962%0.619SS.*Hα-helixtrans-66.8-33.2177.300000113.6M5 T12 S13M5-A9 WeakPolarHBondContact O-CB 3.11Å; M5-A9 PolarHBondContact O-N 3.36Å; M5-A9 VanDerWaalsContact O-N 3.07Å; A9-T12 WeakPolarHBondContact CA-OG1 3.4Å; A9-T12 PolarHBondContact O-OG1 2.6Å; A9-S13 PolarHBondContact O-N 3.27Å
10K44.9Very low43.8Very low138 Ų138125.1 Ų125.160%0.662%0.62SS**Hα-helixtrans-71.9-37.1173.4-74.4-177.8179.5-176.10112S6 L7 L8 S13 L14S6-K10 PolarHBondContact O-N 3.28Å; L7-K10 PolarHBondContact O-N 3.25Å; L8-K10 PolarHBondContact O-N 3.34Å; K10-S13 PolarHBondContact O-N 2.92Å; K10-L14 WeakPolarHBondContact O-CB 3.13Å; K10-L14 PolarHBondContact O-N 2.88Å
11Y42.5Very low43.8Very low160 Ų160122.6 Ų122.663%0.62761%0.611SS**Hα-helixtrans-66.8-39.3175.9-102.5-91.9000112.6L7 L8 C15L7-Y11 PolarHBondContact O-N 3.4Å; L8-Y11 PolarHBondContact O-N 3.2Å; Y11-C15 WeakPolarHBondContact O-CB 3Å; Y11-C15 PolarHBondContact O-N 3.27Å
12T48.8Very low43.6Very low92 Ų92115.6 Ų115.656%0.56458%0.58SS**Hα-helixtrans-68.2-34.5175.148.40000112.7L8 A9 S16L8-T12 PolarHBondContact O-N 2.79Å; L8-T12 PolarHBondContact O-OG1 3.13Å; A9-T12 WeakPolarHBondContact CA-OG1 3.4Å; A9-T12 PolarHBondContact O-OG1 2.6Å; T12-S16 WeakPolarHBondContact O-CB 3.16Å; T12-S16 PolarHBondContact O-N 3.04Å
13S47.3Very low43.8Very low65 Ų65112.1 Ų112.146%0.45557%0.566SS.*Hα-helixtrans-69.3-44174.9-178.40000112A9 K10 S16 I17A9-S13 PolarHBondContact O-N 3.27Å; K10-S13 PolarHBondContact O-N 2.92Å; S13-S16 PolarHBondContact O-N 3.48Å; S13-I17 WeakPolarHBondContact O-CD1 3.48Å; S13-I17 VanDerWaalsContact O-CG1 3.27Å; S13-I17 WeakPolarHBondContact O-CG1 3.37Å; S13-I17 PolarHBondContact O-N 2.97Å
14L46.4Very low44Very low112 Ų112104.6 Ų104.659%0.58654%0.542SS*.Hα-helixtrans-64.8-42.2174.6-79.2159.7000112.2K10 S16 I17 Y18K10-L14 WeakPolarHBondContact O-CB 3.13Å; K10-L14 PolarHBondContact O-N 2.88Å; L14-S16 VanDerWaalsContact C-N 3.35Å; L14-S16 PolarHBondContact O-N 3.17Å; L14-I17 PolarHBondContact O-N 3.38Å; L14-Y18 VanDerWaalsContact O-CB 3.31Å; L14-Y18 WeakPolarHBondContact O-CB 3.42Å; L14-Y18 PolarHBondContact O-N 3.5Å
15C44.6Very low43.7Very low72 Ų72105.6 Ų105.649%0.48654%0.544SS..Hα-helixtrans-63.2-38.7173.4-93.30000112.3Y11 Y18 L19Y11-C15 WeakPolarHBondContact O-CB 3Å; Y11-C15 PolarHBondContact O-N 3.27Å; C15-Y18 PolarHBondContact O-N 3.02Å; C15-L19 VanDerWaalsContact O-CB 3.26Å; C15-L19 WeakPolarHBondContact O-CB 3.38Å; C15-L19 WeakPolarHBondContact O-CD1 3.36Å; C15-L19 PolarHBondContact O-N 3.13Å
16S45.3Very low43.7Very low76 Ų76105.1 Ų105.153%0.53154%0.543SS..Hα-helixtrans-68.4-38.5177.3-167.70000112T12 S13 L14 Y20T12-S16 WeakPolarHBondContact O-CB 3.16Å; T12-S16 PolarHBondContact O-N 3.04Å; S13-S16 PolarHBondContact O-N 3.48Å; L14-S16 VanDerWaalsContact C-N 3.35Å; L14-S16 PolarHBondContact O-N 3.17Å; S16-Y20 WeakPolarHBondContact O-CB 3.34Å; S16-Y20 PolarHBondContact O-N 3.28Å
17I52.7Low43.5Very low96 Ų96105.4 Ų105.449%0.49254%0.537SS..Hα-helixtrans-68-41.9174.2-66.2162.6000110.1S13 L14 Y20 V21S13-I17 WeakPolarHBondContact O-CD1 3.48Å; S13-I17 VanDerWaalsContact O-CG1 3.27Å; S13-I17 WeakPolarHBondContact O-CG1 3.37Å; S13-I17 PolarHBondContact O-N 2.97Å; L14-I17 PolarHBondContact O-N 3.38Å; I17-Y20 PolarHBondContact O-N 3.28Å; I17-V21 HydrophobicContact CG2-CG2 4.28Å; I17-V21 WeakPolarHBondContact O-CB 3.26Å; I17-V21 VanDerWaalsContact O-CG2 3.23Å; I17-V21 WeakPolarHBondContact O-CG2 3.49Å; I17-V21 PolarHBondContact O-N 3.12Å
18Y44.8Very low43.5Very low175 Ų175105.4 Ų105.469%0.68654%0.544SS*.Hα-helixtrans-66.3-42.8178.3-142.5-91.7000111.7L14 C15 Y20 V21 V22L14-Y18 VanDerWaalsContact O-CB 3.31Å; L14-Y18 WeakPolarHBondContact O-CB 3.42Å; L14-Y18 PolarHBondContact O-N 3.5Å; C15-Y18 PolarHBondContact O-N 3.02Å; Y18-Y20 VanDerWaalsContact C-N 3.34Å; Y18-V21 PolarHBondContact O-N 3.14Å; Y18-V22 HydrophobicContact CD1-CG2 3.97Å; Y18-V22 HydrophobicContact CE1-CG2 4.18Å; Y18-V22 VanDerWaalsContact O-CB 3.23Å; Y18-V22 WeakPolarHBondContact O-CB 3.27Å; Y18-V22 WeakPolarHBondContact O-CG2 3.2Å; Y18-V22 PolarHBondContact O-N 3.36Å
19L44.5Very low43.8Very low121 Ų121109.8 Ų109.863%0.63455%0.553SS**Hα-helixtrans-64.3-36.8172.8-89150.5000111.8C15 Y23C15-L19 VanDerWaalsContact O-CB 3.26Å; C15-L19 WeakPolarHBondContact O-CB 3.38Å; C15-L19 WeakPolarHBondContact O-CD1 3.36Å; C15-L19 PolarHBondContact O-N 3.13Å; L19-Y23 WeakPolarHBondContact O-CB 3.49Å; L19-Y23 PolarHBondContact O-N 3.25Å
20Y42.7Very low43.6Very low160 Ų160114.5 Ų114.563%0.62756%0.56SS**Hα-helixtrans-71.6-39.6177-156.8-98.3000112.2S16 I17 Y18 Y23 I24S16-Y20 WeakPolarHBondContact O-CB 3.34Å; S16-Y20 PolarHBondContact O-N 3.28Å; I17-Y20 PolarHBondContact O-N 3.28Å; Y18-Y20 VanDerWaalsContact C-N 3.34Å; Y20-Y23 PolarHBondContact O-N 3.35Å; Y20-I24 HydrophobicContact CD1-CD1 3.64Å; Y20-I24 HydrophobicContact CD1-CG1 4.33Å; Y20-I24 HydrophobicContact CE1-CD1 3.64Å; Y20-I24 HydrophobicContact CE1-CG1 4.36Å; Y20-I24 WeakPolarHBondContact O-CB 3.47Å; Y20-I24 VanDerWaalsContact O-CG1 3.28Å; Y20-I24 WeakPolarHBondContact O-CG1 3.46Å; Y20-I24 PolarHBondContact O-N 3.07Å
21V43.3Very low43.5Very low73 Ų73110.3 Ų110.344%0.44255%0.551SS.*Hα-helixtrans-66.9-43.3173.91710000110.7I17 Y18 Y23 I24 L25I17-V21 HydrophobicContact CG2-CG2 4.28Å; I17-V21 WeakPolarHBondContact O-CB 3.26Å; I17-V21 VanDerWaalsContact O-CG2 3.23Å; I17-V21 WeakPolarHBondContact O-CG2 3.49Å; I17-V21 PolarHBondContact O-N 3.12Å; Y18-V21 PolarHBondContact O-N 3.14Å; V21-Y23 VanDerWaalsContact C-N 3.34Å; V21-I24 PolarHBondContact O-N 3.29Å; V21-L25 HydrophobicContact CG1-CD1 3.95Å; V21-L25 WeakPolarHBondContact O-CB 3.28Å; V21-L25 VanDerWaalsContact O-CG 3.22Å; V21-L25 WeakPolarHBondContact O-CG 3.49Å; V21-L25 PolarHBondContact O-N 3.18Å
22V42.8Very low43.9Very low57 Ų57108 Ų10835%0.34555%0.55SS..Hα-helixtrans-66.6-35.6174.7170.20000111.3Y18 L25 L26Y18-V22 HydrophobicContact CD1-CG2 3.97Å; Y18-V22 HydrophobicContact CE1-CG2 4.18Å; Y18-V22 VanDerWaalsContact O-CB 3.23Å; Y18-V22 WeakPolarHBondContact O-CB 3.27Å; Y18-V22 WeakPolarHBondContact O-CG2 3.2Å; Y18-V22 PolarHBondContact O-N 3.36Å; V22-L25 PolarHBondContact O-N 3.02Å; V22-L26 HydrophobicContact CG1-CD1 3.47Å; V22-L26 VanDerWaalsContact CG1-CD1 3.47Å; V22-L26 HydrophobicContact CG1-CG 4.32Å; V22-L26 VanDerWaalsContact O-CB 3.22Å; V22-L26 WeakPolarHBondContact O-CB 3.32Å; V22-L26 VanDerWaalsContact O-CG 3.28Å; V22-L26 WeakPolarHBondContact O-CG 3.42Å; V22-L26 PolarHBondContact O-N 3.48Å
23Y41.4Very low44.6Very low146 Ų146107 Ų10757%0.57354%0.543SS*.Hα-helixtrans-71.1-35.3174.9-172.9-95000112.8L19 Y20 V21 H27L19-Y23 WeakPolarHBondContact O-CB 3.49Å; L19-Y23 PolarHBondContact O-N 3.25Å; Y20-Y23 PolarHBondContact O-N 3.35Å; V21-Y23 VanDerWaalsContact C-N 3.34Å; Y23-H27 AromaticContact CD1-CD2 3.97Å; Y23-H27 AromaticContact CE1-CD2 3.4Å; Y23-H27 WeakPolarHBondContact CE1-CD2 3.22Å; Y23-H27 AromaticContact CE1-NE2 3.7Å; Y23-H27 AromaticContact CZ-CD2 3.88Å; Y23-H27 AromaticContact CZ-NE2 3.93Å; Y23-H27 WeakPolarHBondContact O-CB 3.05Å; Y23-H27 PolarHBondContact O-N 3.5Å
24I44.6Very low45.7Very low73 Ų73110.8 Ų110.837%0.37456%0.557SS.*Hα-helixtrans-65.7-43170.4-72.1168.5000110.4Y20 V21 L26 H27 Y30Y20-I24 HydrophobicContact CD1-CD1 3.64Å; Y20-I24 HydrophobicContact CD1-CG1 4.33Å; Y20-I24 HydrophobicContact CE1-CD1 3.64Å; Y20-I24 HydrophobicContact CE1-CG1 4.36Å; Y20-I24 WeakPolarHBondContact O-CB 3.47Å; Y20-I24 VanDerWaalsContact O-CG1 3.28Å; Y20-I24 WeakPolarHBondContact O-CG1 3.46Å; Y20-I24 PolarHBondContact O-N 3.07Å; V21-I24 PolarHBondContact O-N 3.29Å; I24-L26 VanDerWaalsContact C-N 3.34Å; I24-L26 PolarHBondContact O-N 3.32Å; I24-H27 PolarHBondContact O-N 3.35Å; I24-Y30 HydrophobicContact CG2-CD2 4.37Å; I24-Y30 WeakPolarHBondContact O-CB 3.34Å
25L38Very low47.4Very low115 Ų115107.3 Ų107.360%0.60254%0.538SS*.Hα-helixtrans-70.8-26.3178.7-69.4168.9000113.5V21 V22V21-L25 HydrophobicContact CG1-CD1 3.95Å; V21-L25 WeakPolarHBondContact O-CB 3.28Å; V21-L25 VanDerWaalsContact O-CG 3.22Å; V21-L25 WeakPolarHBondContact O-CG 3.49Å; V21-L25 PolarHBondContact O-N 3.18Å; V22-L25 PolarHBondContact O-N 3.02Å
26L36.8Very low49.3Very low132 Ų132108.4 Ų108.469%0.69155%0.552SS**Hα-helixtrans-99.2-1.4178.1-70.6168.2000113.7V22 I24V22-L26 HydrophobicContact CG1-CD1 3.47Å; V22-L26 VanDerWaalsContact CG1-CD1 3.47Å; V22-L26 HydrophobicContact CG1-CG 4.32Å; V22-L26 VanDerWaalsContact O-CB 3.22Å; V22-L26 WeakPolarHBondContact O-CB 3.32Å; V22-L26 VanDerWaalsContact O-CG 3.28Å; V22-L26 WeakPolarHBondContact O-CG 3.42Å; V22-L26 PolarHBondContact O-N 3.48Å; I24-L26 VanDerWaalsContact C-N 3.34Å; I24-L26 PolarHBondContact O-N 3.32Å
27H37.4Very low51.4Low71 Ų71107.1 Ų107.133%0.32954%0.543SS..SBendtrans-67.2128.4171.9-135.7-67.8000107.7Y23 I24 R29 Y30 A31Y23-H27 AromaticContact CD1-CD2 3.97Å; Y23-H27 AromaticContact CE1-CD2 3.4Å; Y23-H27 WeakPolarHBondContact CE1-CD2 3.22Å; Y23-H27 AromaticContact CE1-NE2 3.7Å; Y23-H27 AromaticContact CZ-CD2 3.88Å; Y23-H27 AromaticContact CZ-NE2 3.93Å; Y23-H27 WeakPolarHBondContact O-CB 3.05Å; Y23-H27 PolarHBondContact O-N 3.5Å; I24-H27 PolarHBondContact O-N 3.35Å; H27-R29 PolarHBondContact O-N 2.89Å; H27-Y30 HydrophobicContact CB-CD2 4.27Å; H27-Y30 PolarHBondContact O-N 3.23Å; H27-A31 PolarHBondContact O-N 3.42Å
28P42.7Very low53.4Low114 Ų114111.4 Ų111.474%0.7455%0.553SS**THydrogen-bonded Turntrans-62-2.7-177.820.4-31.8000114.6
29R42.9Very low55.8Low200 Ų200107.5 Ų107.576%0.75554%0.541SS*.THydrogen-bonded Turntrans-87.5-15.8172-72.7-171.9176.9176.10.9114.3H27H27-R29 PolarHBondContact O-N 2.89Å
30Y41.5Very low58.3Low156 Ų156102.3 Ų102.361%0.61251%0.513SS*.THydrogen-bonded Turntrans-125.21.9-179.1-62.9-73.6000113.4I24 H27 N32I24-Y30 HydrophobicContact CG2-CD2 4.37Å; I24-Y30 WeakPolarHBondContact O-CB 3.34Å; H27-Y30 HydrophobicContact CB-CD2 4.27Å; H27-Y30 PolarHBondContact O-N 3.23Å; Y30-N32 PolarHBondContact O-N 2.97Å
31A42.8Very low60.8Low51 Ų5197.3 Ų97.342%0.42150%0.501SS..SBendtrans-62.4108.4163.400000107H27 V33H27-A31 PolarHBondContact O-N 3.42Å; A31-V33 VanDerWaalsContact C-N 3.26Å; A31-V33 PolarHBondContact O-N 2.96Å
32N50.1Low63.2Low111 Ų111102.8 Ų102.859%0.59452%0.522SS*.  trans-57.698.1167.3-76.1-32.9000106.7Y30 I34Y30-N32 PolarHBondContact O-N 2.97Å; N32-I34 PolarHBondContact O-N 3.49Å; N32-I34 VanDerWaalsContact O-N 3.13Å
33V63.8Low65.5Low71 Ų71100.4 Ų100.443%0.4351%0.509SS..BIsolated β-bridgetrans-66116.1174.7179.10000105A31 M35 F388A31-V33 VanDerWaalsContact C-N 3.26Å; A31-V33 PolarHBondContact O-N 2.96Å; V33-M35 PolarHBondContact O-N 3.29Å; V33-F388 WeakPolarHBondContact O-CA 3.28Å; V33-F388 WeakPolarHBondContact O-CB 3.11Å
34I70.4Confident68.2Low145 Ų14594.2 Ų94.274%0.74449%0.485SS*.  trans-84.5110.5168.2-61.6175.1000105.1N32N32-I34 PolarHBondContact O-N 3.49Å; N32-I34 VanDerWaalsContact O-N 3.13Å
35M83.1Confident70.7Confident39 Ų3994.3 Ų94.319%0.19249%0.492CS..  trans-85.2129.3176.1-163.6172.7-171.600108.3V33 S37 L386 F388 Y420 S421 L422V33-M35 PolarHBondContact O-N 3.29Å; M35-S37 PolarHBondContact O-N 3.42Å; M35-L386 HydrophobicContact CE-CD2 4.32Å; M35-L386 HydrophobicContact SD-CD2 3.97Å; M35-F388 HydrophobicContact CB-CB 3.97Å; M35-F388 HydrophobicContact CB-CD1 4.21Å; M35-F388 HydrophobicContact CB-CD2 3.97Å; M35-F388 HydrophobicContact CB-CE2 4.49Å; M35-F388 HydrophobicContact CB-CG 3.8Å; M35-F388 HydrophobicContact SD-CD1 3.84Å; M35-F388 HydrophobicContact SD-CE1 3.71Å; M35-F388 HydrophobicContact SD-CG 4.35Å; M35-F388 HydrophobicContact SD-CZ 4.1Å; M35-Y420 HydrophobicContact CB-CD1 3.83Å; M35-Y420 HydrophobicContact CB-CE1 4.14Å; M35-Y420 HydrophobicContact CG-CD1 3.89Å; M35-Y420 HydrophobicContact SD-CD1 4.01Å; M35-Y420 HydrophobicContact SD-CG 4.39Å; M35-S421 WeakPolarHBondContact CE-O 3.35Å; M35-L422 HydrophobicContact CE-CD2 4.26Å
36A83.8Confident73.5Confident94 Ų9489.6 Ų89.678%0.77747%0.468SS*.  trans-64.4124.1176.300000109.5
37S90.2Very high76.4Confident50 Ų5084.4 Ų84.435%0.3544%0.442SS..  trans-104.8151.9173.760.90000111.3M35 V419M35-S37 PolarHBondContact O-N 3.42Å; S37-V419 CarbonylContact C-O 3.58Å; S37-V419 VanDerWaalsContact CA-O 3.29Å; S37-V419 WeakPolarHBondContact CA-O 3.33Å
38R94.3Very high79.3Confident186 Ų18681 Ų8170%0.70243%0.427SS*.EExtended strand (participates in β ladder)trans-96.4130.8161.5-63.5179.2-175.2162.94.8107.7V419R38-V419 HydrophobicContact CB-CB 4.42Å; R38-V419 PolarHBondContact N-O 2.88Å; R38-V419 PolarHBondContact O-N 2.95Å
39Q95.1Very high81.9Confident92 Ų9277.5 Ų77.543%0.4340%0.401SS..EExtended strand (participates in β ladder)trans-92.7129.8177.3-79-89.6-28.200109.5L417 S418Q39-L417 CarbonylContact C-O 3.55Å; Q39-L417 WeakPolarHBondContact CA-O 3.43Å; Q39-S418 PolarHBondContact NE2-OG 2.82Å
40W97.1Very high84.6Confident13 Ų1368 Ų685%0.04937%0.365CS..EExtended strand (participates in β ladder)trans-105.6118.7169.2-58.2-7.9000107.7L61 W73 N74 G77 L402 N416 L417 V419W40-L61 HydrophobicContact CH2-CD1 4.01Å; W40-L61 HydrophobicContact CH2-CD2 4.37Å; W40-L61 HydrophobicContact CZ3-CD1 4.12Å; W40-L61 HydrophobicContact CZ3-CD2 4.06Å; W40-L61 HydrophobicContact CZ3-CG 4.47Å; W40-W73 HydrophobicContact CB-CE3 4.16Å; W40-W73 HydrophobicContact CB-CH2 4.24Å; W40-W73 HydrophobicContact CB-CZ3 3.8Å; W40-W73 HydrophobicContact CE3-CB 4.22Å; W40-W73 HydrophobicContact CE3-CD2 4.13Å; W40-W73 HydrophobicContact CE3-CE3 4.17Å; W40-W73 HydrophobicContact CE3-CG 4.18Å; W40-W73 HydrophobicContact CZ3-CB 3.93Å; W40-W73 HydrophobicContact CZ3-CG 4.27Å; W40-N74 WeakPolarHBondContact CH2-O 3.48Å; W40-G77 VanDerWaalsContact CG-CA 3.47Å; W40-G77 VanDerWaalsContact CZ2-N 3.29Å; W40-L402 HydrophobicContact CH2-CD1 4.07Å; W40-L402 HydrophobicContact CH2-CD2 4.04Å; W40-L402 HydrophobicContact CZ2-CD1 3.94Å; W40-N416 WeakPolarHBondContact O-CA 3.39Å; W40-L417 HydrophobicContact CB-CB 4.19Å; W40-L417 HydrophobicContact CE3-CD1 4.19Å; W40-L417 PolarHBondContact N-O 3.29Å; W40-L417 PolarHBondContact O-N 2.7Å; W40-V419 HydrophobicContact CD2-CG2 3.7Å; W40-V419 VanDerWaalsContact CE2-CG2 3.41Å; W40-V419 HydrophobicContact CE3-CG2 4.27Å; W40-V419 HydrophobicContact CG-CG2 4.15Å; W40-V419 HydrophobicContact CH2-CG2 4.35Å; W40-V419 HydrophobicContact CZ2-CG2 3.79Å
41C95.6Very high87.3Confident54 Ų5460.8 Ų60.837%0.36534%0.338SS..  trans-123.1179.2-169.9-58.60000110.6G43 W73 N416C41-G43 PolarHBondContact O-N 2.94Å; C41-G43 VanDerWaalsContact O-N 3.08Å; C41-W73 WeakPolarHBondContact O-CZ3 3.42Å; C41-N416 WeakPolarHBondContact CA-OD1 3.41Å; C41-N416 WeakPolarHBondContact CB-OD1 3.28Å; C41-N416 PolarHBondContact SG-OD1 3.39Å
42E93.3Very high89.8Confident188 Ų18858.7 Ų58.788%0.87932%0.321SS*.SBendtrans64.49174.7-51.6-173155.500115.1
43G91.3Very high91.9Very high7 Ų755 Ų557%0.07231%0.306CS..SBendtrans-88.7-28.417500000114.1C41 T71 W73C41-G43 PolarHBondContact O-N 2.94Å; C41-G43 VanDerWaalsContact O-N 3.08Å; G43-T71 PolarHBondContact O-OG1 2.79Å; G43-W73 VanDerWaalsContact CA-CH2 3.49Å
44H96.7Very high93.3Very high17 Ų1752.1 Ų52.18%0.07929%0.289CS..  trans-140158.6-176.8-61.5-72.2000111.3V48 S63 S65 E69 P415H44-V48 HydrophobicContact CB-CG2 4.43Å; H44-V48 VanDerWaalsContact CD2-CG2 3.43Å; H44-V48 WeakPolarHBondContact CD2-CG2 3.49Å; H44-S63 PolarHBondContact CE1-O 3.05Å; H44-S63 PolarHBondContact NE2-O 3.39Å; H44-S63 PolarHBondContact NE2-OG 3.44Å; H44-S65 PolarHBondContact ND1-OG 2.92Å; H44-E69 WeakPolarHBondContact CA-OE2 3.31Å; H44-E69 PolarHBondContact CE1-O 2.84Å; H44-P415 HydrophobicContact CB-CB 4.1Å; H44-P415 WeakPolarHBondContact O-CB 3.49Å
45S96.8Very high93.6Very high74 Ų7449.7 Ų49.752%0.51730%0.3SS..SBendtrans-102.8-16.7173.757.70000113E69 R84S45-E69 PolarHBondContact N-OE2 3.27Å; S45-E69 VanDerWaalsContact OG-CD 3.27Å; S45-E69 PolarHBondContact OG-OE1 2.79Å; S45-E69 PolarHBondContact OG-OE2 2.95Å; S45-R84 PolarHBondContact OG-NH2 3.39Å
46T97.4Very high93Very high17 Ų1749.1 Ų49.110%0.10430%0.303CS..SBendtrans-128.8165.8-175.659.30000110.9V48 S65 E66 E67 P415T46-V48 PolarHBondContact O-N 2.89Å; T46-S65 WeakPolarHBondContact OG1-CB 3.32Å; T46-S65 PolarHBondContact OG1-OG 2.86Å; T46-E66 PolarHBondContact OG1-O 3.38Å; T46-E67 HydrophobicContact CG2-CB 4.48Å; T46-E67 HydrophobicContact CG2-CG 4.03Å; T46-P415 VanDerWaalsContact O-CA 3.24Å; T46-P415 WeakPolarHBondContact O-CA 3.26Å; T46-P415 VanDerWaalsContact O-CB 3.32Å; T46-P415 WeakPolarHBondContact O-CB 3.25Å
47P97.8Very high92.2Very high23 Ų2351.1 Ų51.115%0.14931%0.309CS..  trans-51.1137.5-178.7-27.534.9000113.8S65 E66 Q413 S414P47-S65 VanDerWaalsContact O-CA 3.23Å; P47-S65 WeakPolarHBondContact O-CA 3.47Å; P47-S65 VanDerWaalsContact O-CB 3.26Å; P47-S65 WeakPolarHBondContact O-CB 3.35Å; P47-E66 WeakPolarHBondContact CD-OE2 3.35Å; P47-E66 PolarHBondContact O-N 3.3Å; P47-E66 VanDerWaalsContact O-N 3.13Å; P47-Q413 WeakPolarHBondContact CG-O 3.49Å; P47-S414 WeakPolarHBondContact CA-O 3.2Å
48V98.3Very high91.5Very high0 Ų052.9 Ų52.90%031%0.311CS..EExtended strand (participates in β ladder)trans-81.1125176.1-175.80000109.9H44 T46 V51 G64 N395 A411 S414 L417H44-V48 HydrophobicContact CB-CG2 4.43Å; H44-V48 VanDerWaalsContact CD2-CG2 3.43Å; H44-V48 WeakPolarHBondContact CD2-CG2 3.49Å; T46-V48 PolarHBondContact O-N 2.89Å; V48-V51 HydrophobicContact CG1-CG2 4.21Å; V48-G64 WeakPolarHBondContact CG1-O 3.4Å; V48-N395 PolarHBondContact O-ND2 2.8Å; V48-A411 HydrophobicContact CB-CB 3.89Å; V48-A411 HydrophobicContact CG1-CB 3.88Å; V48-S414 PolarHBondContact N-O 3.35Å; V48-L417 HydrophobicContact CB-CD2 4.3Å; V48-L417 HydrophobicContact CG1-CD2 3.89Å; V48-L417 HydrophobicContact CG2-CD2 4.36Å
49L98.2Very high91Very high40 Ų4044.4 Ų44.421%0.20928%0.281CS..EExtended strand (participates in β ladder)trans-98.3-33.2-175.7-61.2178.8000112.3G64 E66 D90 V91 W396L49-G64 PolarHBondContact N-O 2.94Å; L49-E66 HydrophobicContact CD1-CG 3.84Å; L49-E66 HydrophobicContact CD2-CG 3.99Å; L49-E66 HydrophobicContact CG-CG 4.04Å; L49-D90 HydrophobicContact CD1-CB 3.76Å; L49-V91 WeakPolarHBondContact CB-O 3.31Å; L49-W396 VanDerWaalsContact O-CE3 3.31Å
50C98.3Very high90.9Very high0 Ų040.6 Ų40.60%026%0.264CS..EExtended strand (participates in β ladder)trans-144154.6-178.269.20000113.5S63 G64 V91 T92 S93 W396C50-S63 VanDerWaalsContact O-CA 3.23Å; C50-S63 WeakPolarHBondContact O-CA 3.32Å; C50-G64 PolarHBondContact N-O 3.46Å; C50-G64 PolarHBondContact O-N 2.92Å; C50-G64 VanDerWaalsContact O-N 3.1Å; C50-V91 PolarHBondContact SG-O 3.32Å; C50-T92 WeakPolarHBondContact CB-O 3.23Å; C50-S93 VanDerWaalsContact SG-C 3.56Å; C50-S93 VanDerWaalsContact SG-CA 3.55Å; C50-S93 PolarHBondContact SG-N 2.85Å; C50-W396 HydrophobicContact CB-CD2 4.27Å; C50-W396 HydrophobicContact CB-CE3 4.1Å; C50-W396 HydrophobicContact CB-CH2 4.43Å; C50-W396 HydrophobicContact CB-CZ3 4.18Å
51V98.2Very high90.9Very high4 Ų440 Ų402%0.02426%0.262CS..EExtended strand (participates in β ladder)trans-138.6123.5173.3-172.90000110.4V48 L61 A62 W396 C398 V409 A411 L417V48-V51 HydrophobicContact CG1-CG2 4.21Å; V51-L61 HydrophobicContact CG1-CD2 4.34Å; V51-A62 CarbonylContact C-O 3.56Å; V51-A62 WeakPolarHBondContact CA-O 3.33Å; V51-W396 PolarHBondContact O-NE1 3.05Å; V51-C398 HydrophobicContact CB-CB 3.87Å; V51-C398 HydrophobicContact CG1-CB 3.85Å; V51-V409 HydrophobicContact CG1-CG1 4.17Å; V51-A411 HydrophobicContact CG2-CB 4.21Å; V51-L417 HydrophobicContact CG2-CD2 3.57Å
52G96.3Very high91Very high7 Ų737.4 Ų37.47%0.07225%0.245CC..EExtended strand (participates in β ladder)trans-108.5147.9170.900000111.3L61 A62 A94 F96G52-L61 WeakPolarHBondContact O-CA 3.27Å; G52-A62 PolarHBondContact N-O 2.8Å; G52-A62 PolarHBondContact O-N 3.13Å; G52-A94 WeakPolarHBondContact CA-O 3.22Å; G52-F96 WeakPolarHBondContact O-CE2 3.49Å
53A94.4Very high91.2Very high33 Ų3328.5 Ų28.527%0.27320%0.203SC..EExtended strand (participates in β ladder)trans-125.6141.6174.700000111.3L61 F96 T400A53-L61 HydrophobicContact CB-CG 4.34Å; A53-F96 VanDerWaalsContact C-CD2 3.41Å; A53-T400 WeakPolarHBondContact CB-OG1 3.45Å
54S92.2Very high91.6Very high12 Ų1228.1 Ų28.18%0.08420%0.199CC..  trans-87131.3175.8-176.80000110.9G56 L60S54-G56 PolarHBondContact O-N 3.05Å; S54-L60 WeakPolarHBondContact CB-O 3.37Å; S54-L60 PolarHBondContact N-O 3.48Å
55G77.4Confident91.6Very high94 Ų9427.3 Ų27.397%0.96920%0.195SC*.  trans-79.510.5178.500000115.3
56G71.1Confident91.6Very high26 Ų2627 Ų2727%0.26819%0.186SC..SBendtrans-96.4173.9-176.500000114.6S54 E58 G59S54-G56 PolarHBondContact O-N 3.05Å; G56-E58 PolarHBondContact O-N 3.16Å; G56-G59 PolarHBondContact O-N 3.33Å
57P66.6Low91.6Very high136 Ų13630.7 Ų30.788%0.88320%0.202SC*.THydrogen-bonded Turntrans-64-23.5-177.526.3-35000114G59P57-G59 VanDerWaalsContact C-N 3.29Å
58E74.7Confident91.4Very high88 Ų8829.6 Ų29.641%0.41120%0.195SC..THydrogen-bonded Turntrans-71.8-25.7173.7-66.8-175.3174.300112.1G56 L60 Q75 R118G56-E58 PolarHBondContact O-N 3.16Å; E58-L60 VanDerWaalsContact C-N 3.27Å; E58-L60 HydrophobicContact CB-CG 4.14Å; E58-L60 PolarHBondContact O-N 3.33Å; E58-Q75 PolarHBondContact O-NE2 3.49Å; E58-R118 IonicContact OE1-CZ 3.29Å; E58-R118 VanDerWaalsContact OE1-CZ 3.28Å; E58-R118 IonicContact OE1-NE 2.75Å; E58-R118 PolarHBondContact OE1-NE 3.26Å; E58-R118 IonicContact OE1-NH2 2.6Å; E58-R118 PolarHBondContact OE1-NH2 2.78Å; E58-R118 IonicContact OE2-CZ 3.31Å; E58-R118 VanDerWaalsContact OE2-CZ 3.22Å; E58-R118 IonicContact OE2-NE 2.9Å; E58-R118 PolarHBondContact OE2-NE 3.02Å; E58-R118 IonicContact OE2-NH2 3.06Å; E58-R118 PolarHBondContact OE2-NH2 3.05Å
59G84.6Confident91.4Very high7 Ų731.1 Ų31.17%0.07220%0.202CC..  trans48.245.7178.500000113.9G56 P57 L61 Q75G56-G59 PolarHBondContact O-N 3.33Å; P57-G59 VanDerWaalsContact C-N 3.29Å; G59-L61 WeakPolarHBondContact O-CD1 3.35Å; G59-Q75 WeakPolarHBondContact O-CG 3.41Å
60L93.6Very high91.4Very high13 Ų1329.2 Ų29.27%0.06819%0.192CC..  trans-66.7146.7175.7-59.8178.6000110.6S54 E58 V72 L80 F96 P117S54-L60 WeakPolarHBondContact CB-O 3.37Å; S54-L60 PolarHBondContact N-O 3.48Å; E58-L60 VanDerWaalsContact C-N 3.27Å; E58-L60 HydrophobicContact CB-CG 4.14Å; E58-L60 PolarHBondContact O-N 3.33Å; L60-V72 HydrophobicContact CD2-CG1 4.47Å; L60-L80 HydrophobicContact CD2-CD1 3.63Å; L60-F96 HydrophobicContact CB-CE1 4.11Å; L60-F96 HydrophobicContact CB-CZ 4Å; L60-P117 HydrophobicContact CD1-CB 4.12Å; L60-P117 HydrophobicContact CD1-CG 4.12Å
61L96.3Very high91.3Very high0 Ų029.2 Ų29.20%019%0.192CC..EExtended strand (participates in β ladder)trans-116.4148.2166.8-67.790.1000109.2W40 V51 G52 A53 G59 V72 W73 T400 L402 V409W40-L61 HydrophobicContact CH2-CD1 4.01Å; W40-L61 HydrophobicContact CH2-CD2 4.37Å; W40-L61 HydrophobicContact CZ3-CD1 4.12Å; W40-L61 HydrophobicContact CZ3-CD2 4.06Å; W40-L61 HydrophobicContact CZ3-CG 4.47Å; V51-L61 HydrophobicContact CG1-CD2 4.34Å; G52-L61 WeakPolarHBondContact O-CA 3.27Å; A53-L61 HydrophobicContact CB-CG 4.34Å; G59-L61 WeakPolarHBondContact O-CD1 3.35Å; L61-V72 CarbonylContact O-C 3.57Å; L61-V72 VanDerWaalsContact O-CA 3.3Å; L61-V72 WeakPolarHBondContact O-CA 3.22Å; L61-W73 HydrophobicContact CB-CB 4.3Å; L61-W73 PolarHBondContact N-O 3.06Å; L61-W73 VanDerWaalsContact N-O 3.08Å; L61-W73 PolarHBondContact O-N 3.44Å; L61-T400 HydrophobicContact CD2-CG2 4.21Å; L61-L402 HydrophobicContact CD1-CD2 3.56Å; L61-L402 HydrophobicContact CD2-CD2 4.39Å; L61-V409 HydrophobicContact CD2-CB 4.41Å; L61-V409 HydrophobicContact CD2-CG2 3.71Å
62A97.4Very high91.3Very high0 Ų029 Ų290%019%0.191CC..EExtended strand (participates in β ladder)trans-127.2143.6172.300000108.6V51 G52 T71 V72 F96 L104V51-A62 CarbonylContact C-O 3.56Å; V51-A62 WeakPolarHBondContact CA-O 3.33Å; G52-A62 PolarHBondContact N-O 2.8Å; G52-A62 PolarHBondContact O-N 3.13Å; A62-T71 CarbonylContact C-O 3.6Å; A62-T71 WeakPolarHBondContact CA-O 3.4Å; A62-V72 HydrophobicContact CB-CG2 4.39Å; A62-F96 HydrophobicContact CB-CE2 3.63Å; A62-F96 HydrophobicContact CB-CZ 3.62Å; A62-L104 HydrophobicContact CB-CD1 3.73Å; A62-L104 HydrophobicContact CB-CD2 3.52Å; A62-L104 HydrophobicContact CB-CG 4.28Å
63S98.4Very high91.3Very high0 Ų028.7 Ų28.70%019%0.187CC..EExtended strand (participates in β ladder)trans-137142.2176.953.80000109.8H44 C50 V70 T71 W73H44-S63 PolarHBondContact CE1-O 3.05Å; H44-S63 PolarHBondContact NE2-O 3.39Å; H44-S63 PolarHBondContact NE2-OG 3.44Å; C50-S63 VanDerWaalsContact O-CA 3.23Å; C50-S63 WeakPolarHBondContact O-CA 3.32Å; S63-V70 WeakPolarHBondContact O-CA 3.41Å; S63-T71 PolarHBondContact N-O 2.77Å; S63-T71 PolarHBondContact O-N 3.05Å; S63-T71 PolarHBondContact OG-O 3.07Å; S63-W73 PolarHBondContact OG-NE1 2.97Å
64G98.3Very high91.3Very high0 Ų028.5 Ų28.50%018%0.182CC..EExtended strand (participates in β ladder)trans-116.6143.5175.200000111.4V48 L49 C50 E69 V91V48-G64 WeakPolarHBondContact CG1-O 3.4Å; L49-G64 PolarHBondContact N-O 2.94Å; C50-G64 PolarHBondContact N-O 3.46Å; C50-G64 PolarHBondContact O-N 2.92Å; C50-G64 VanDerWaalsContact O-N 3.1Å; G64-E69 WeakPolarHBondContact CA-O 3.47Å; G64-V91 VanDerWaalsContact CA-CG1 3.49Å
65S98.1Very high91.3Very high0 Ų029.7 Ų29.70%019%0.186CC..EExtended strand (participates in β ladder)trans-118176.3178.971.50000112.5H44 T46 P47 E69 V91H44-S65 PolarHBondContact ND1-OG 2.92Å; T46-S65 WeakPolarHBondContact OG1-CB 3.32Å; T46-S65 PolarHBondContact OG1-OG 2.86Å; P47-S65 VanDerWaalsContact O-CA 3.23Å; P47-S65 WeakPolarHBondContact O-CA 3.47Å; P47-S65 VanDerWaalsContact O-CB 3.26Å; P47-S65 WeakPolarHBondContact O-CB 3.35Å; S65-E69 PolarHBondContact N-O 2.83Å; S65-E69 VanDerWaalsContact OG-CB 3.26Å; S65-E69 WeakPolarHBondContact OG-CB 3.31Å; S65-E69 PolarHBondContact OG-O 2.87Å; S65-V91 PolarHBondContact O-N 3.13Å
66E97.1Very high92Very high68 Ų6829.2 Ų29.232%0.31816%0.159SC..G310 helixtrans-57.2155.9159.9-62.2174.5-177.700110.6T46 P47 L49 G68 D90T46-E66 PolarHBondContact OG1-O 3.38Å; P47-E66 WeakPolarHBondContact CD-OE2 3.35Å; P47-E66 PolarHBondContact O-N 3.3Å; P47-E66 VanDerWaalsContact O-N 3.13Å; L49-E66 HydrophobicContact CD1-CG 3.84Å; L49-E66 HydrophobicContact CD2-CG 3.99Å; L49-E66 HydrophobicContact CG-CG 4.04Å; E66-G68 PolarHBondContact O-N 3.12Å; E66-D90 WeakPolarHBondContact CA-OD1 3.15Å
67E95.6Very high93.1Very high93 Ų9328.7 Ų28.744%0.43515%0.153SC..G310 helixtrans62.221.4-178.3-53.2-170.9174.300116.1T46 E69 R84 G88 D90T46-E67 HydrophobicContact CG2-CB 4.48Å; T46-E67 HydrophobicContact CG2-CG 4.03Å; E67-E69 PolarHBondContact O-N 2.81Å; E67-R84 IonicContact OE2-CZ 3.65Å; E67-R84 IonicContact OE2-NH1 2.84Å; E67-R84 PolarHBondContact OE2-NH1 2.91Å; E67-R84 IonicContact OE2-NH2 3.53Å; E67-G88 CarbonylContact C-O 3.51Å; E67-G88 WeakPolarHBondContact CA-O 3.23Å; E67-D90 PolarHBondContact N-OD1 2.95Å
68G95.2Very high94.5Very high0 Ų026 Ų260%013%0.134CC..G310 helixtrans81.712.1166.700000116.1E66 L85 D89E66-G68 PolarHBondContact O-N 3.12Å; G68-L85 PolarHBondContact O-N 3.18Å; G68-D89 WeakPolarHBondContact CA-O 3.23Å; G68-D89 PolarHBondContact N-O 2.92Å; G68-D89 VanDerWaalsContact N-O 3.16Å
69E97Very high95.5Very high33 Ų3324.1 Ų24.115%0.15413%0.129CC..EExtended strand (participates in β ladder)trans-79.9131178.7-43.5-167.8124.400111.5H44 S45 G64 S65 E67 R84H44-E69 WeakPolarHBondContact CA-OE2 3.31Å; H44-E69 PolarHBondContact CE1-O 2.84Å; S45-E69 PolarHBondContact N-OE2 3.27Å; S45-E69 VanDerWaalsContact OG-CD 3.27Å; S45-E69 PolarHBondContact OG-OE1 2.79Å; S45-E69 PolarHBondContact OG-OE2 2.95Å; G64-E69 WeakPolarHBondContact CA-O 3.47Å; S65-E69 PolarHBondContact N-O 2.83Å; S65-E69 VanDerWaalsContact OG-CB 3.26Å; S65-E69 WeakPolarHBondContact OG-CB 3.31Å; S65-E69 PolarHBondContact OG-O 2.87Å; E67-E69 PolarHBondContact O-N 2.81Å; E69-R84 VanDerWaalsContact CD-NH2 3.29Å; E69-R84 HydrophobicContact CG-CG 4.45Å; E69-R84 IonicContact OE1-CZ 3.37Å; E69-R84 IonicContact OE1-NE 3.29Å; E69-R84 PolarHBondContact OE1-NE 3Å; E69-R84 IonicContact OE1-NH2 2.7Å; E69-R84 PolarHBondContact OE1-NH2 2.72Å; E69-R84 IonicContact OE2-NH2 4Å
70V97.9Very high96Very high0 Ų028.2 Ų28.20%015%0.148CC..EExtended strand (participates in β ladder)trans-121.2125175.6-176.30000108S63 S82 L83 L85 V91 L104 V106 L115S63-V70 WeakPolarHBondContact O-CA 3.41Å; V70-S82 CarbonylContact O-C 3.6Å; V70-S82 VanDerWaalsContact O-CA 3.25Å; V70-S82 WeakPolarHBondContact O-CA 3.32Å; V70-L83 PolarHBondContact N-O 3.16Å; V70-L83 PolarHBondContact O-N 3.27Å; V70-L85 HydrophobicContact CG2-CD1 4.01Å; V70-L85 HydrophobicContact CG2-CG 4.14Å; V70-V91 HydrophobicContact CG2-CG1 4.34Å; V70-V91 HydrophobicContact CG2-CG2 3.9Å; V70-L104 HydrophobicContact CG1-CD2 4.39Å; V70-V106 HydrophobicContact CG1-CG2 4.3Å; V70-V106 HydrophobicContact CG2-CG1 3.8Å; V70-L115 HydrophobicContact CB-CD1 4.49Å; V70-L115 HydrophobicContact CG1-CD1 4.01Å
71T97.8Very high96Very high0 Ų029 Ų290%016%0.157CC..EExtended strand (participates in β ladder)trans-126.2134.1179.8-68.40000111G43 A62 S63 W73 V79 S82G43-T71 PolarHBondContact O-OG1 2.79Å; A62-T71 CarbonylContact C-O 3.6Å; A62-T71 WeakPolarHBondContact CA-O 3.4Å; S63-T71 PolarHBondContact N-O 2.77Å; S63-T71 PolarHBondContact O-N 3.05Å; S63-T71 PolarHBondContact OG-O 3.07Å; T71-W73 HydrophobicContact CG2-CD2 4.06Å; T71-W73 HydrophobicContact CG2-CH2 4.39Å; T71-W73 HydrophobicContact CG2-CZ2 3.72Å; T71-V79 HydrophobicContact CG2-CB 4.4Å; T71-V79 HydrophobicContact CG2-CG1 3.82Å; T71-V79 HydrophobicContact CG2-CG2 3.96Å; T71-S82 WeakPolarHBondContact CG2-OG 3.41Å; T71-S82 WeakPolarHBondContact OG1-CB 3.28Å; T71-S82 PolarHBondContact OG1-OG 3.11Å
72V97.1Very high95.9Very high0 Ų032 Ų320%018%0.178CC..EExtended strand (participates in β ladder)trans-106.2132175.3173.60000109.6L60 L61 A62 L80 A81 L104 P117 L120L60-V72 HydrophobicContact CD2-CG1 4.47Å; L61-V72 CarbonylContact O-C 3.57Å; L61-V72 VanDerWaalsContact O-CA 3.3Å; L61-V72 WeakPolarHBondContact O-CA 3.22Å; A62-V72 HydrophobicContact CB-CG2 4.39Å; V72-L80 HydrophobicContact CG1-CB 4.47Å; V72-L80 HydrophobicContact CG1-CD1 4.4Å; V72-L80 PolarHBondContact O-N 3Å; V72-A81 PolarHBondContact N-O 3.4Å; V72-A81 PolarHBondContact O-N 3.13Å; V72-L104 HydrophobicContact CG2-CD2 4.36Å; V72-P117 HydrophobicContact CG1-CB 4.3Å; V72-P117 HydrophobicContact CG2-CB 3.98Å; V72-L120 HydrophobicContact CB-CD1 4.07Å; V72-L120 HydrophobicContact CG2-CD1 3.62Å; V72-L120 HydrophobicContact CG2-CG 4.36Å
73W96.6Very high95.8Very high0 Ų033.6 Ų33.60%019%0.186CC..EExtended strand (participates in β ladder)trans-118.3149.7-175.6-45.779.8000110.7W40 C41 G43 L61 S63 T71 T78 V79 L417W40-W73 HydrophobicContact CB-CE3 4.16Å; W40-W73 HydrophobicContact CB-CH2 4.24Å; W40-W73 HydrophobicContact CB-CZ3 3.8Å; W40-W73 HydrophobicContact CE3-CB 4.22Å; W40-W73 HydrophobicContact CE3-CD2 4.13Å; W40-W73 HydrophobicContact CE3-CE3 4.17Å; W40-W73 HydrophobicContact CE3-CG 4.18Å; W40-W73 HydrophobicContact CZ3-CB 3.93Å; W40-W73 HydrophobicContact CZ3-CG 4.27Å; C41-W73 WeakPolarHBondContact O-CZ3 3.42Å; G43-W73 VanDerWaalsContact CA-CH2 3.49Å; L61-W73 HydrophobicContact CB-CB 4.3Å; L61-W73 PolarHBondContact N-O 3.06Å; L61-W73 VanDerWaalsContact N-O 3.08Å; L61-W73 PolarHBondContact O-N 3.44Å; S63-W73 PolarHBondContact OG-NE1 2.97Å; T71-W73 HydrophobicContact CG2-CD2 4.06Å; T71-W73 HydrophobicContact CG2-CH2 4.39Å; T71-W73 HydrophobicContact CG2-CZ2 3.72Å; W73-T78 WeakPolarHBondContact CA-O 3.29Å; W73-V79 HydrophobicContact CD2-CG2 4.45Å; W73-V79 HydrophobicContact CE3-CG2 3.73Å; W73-V79 HydrophobicContact CH2-CG2 3.86Å; W73-V79 HydrophobicContact CZ3-CG2 3.39Å; W73-L417 HydrophobicContact CZ2-CD1 4.08Å
74N93.9Very high95.7Very high29 Ų2939 Ų3916%0.15521%0.207CC..  trans-80.9178.916167.710.9000111W40 E76 G77 T78 L80W40-N74 WeakPolarHBondContact CH2-O 3.48Å; N74-E76 VanDerWaalsContact CB-OE2 3.31Å; N74-E76 WeakPolarHBondContact CB-OE2 3.48Å; N74-E76 PolarHBondContact ND2-OE2 2.95Å; N74-E76 PolarHBondContact O-N 3.4Å; N74-E76 WeakPolarHBondContact OD1-CA 3.39Å; N74-E76 WeakPolarHBondContact OD1-CB 3.21Å; N74-E76 PolarHBondContact OD1-N 2.85Å; N74-E76 VanDerWaalsContact OD1-N 3.08Å; N74-E76 PolarHBondContact OD1-OE2 3Å; N74-G77 PolarHBondContact O-N 2.79Å; N74-G77 PolarHBondContact OD1-N 2.84Å; N74-T78 PolarHBondContact N-O 3.41Å; N74-T78 VanDerWaalsContact N-O 3.08Å; N74-T78 VanDerWaalsContact ND2-CB 3.27Å; N74-T78 WeakPolarHBondContact ND2-CB 3.12Å; N74-T78 PolarHBondContact ND2-OG1 2.99Å; N74-T78 WeakPolarHBondContact OD1-CA 3.35Å; N74-T78 WeakPolarHBondContact OD1-CB 3.37Å; N74-T78 PolarHBondContact OD1-N 3.45Å; N74-T78 PolarHBondContact OD1-O 2.82Å; N74-T78 PolarHBondContact OD1-OG1 2.87Å; N74-L80 HydrophobicContact CB-CD1 3.98Å; N74-L80 HydrophobicContact CB-CD2 4.08Å; N74-L80 HydrophobicContact CB-CG 4.06Å
75Q92.9Very high95.6Very high37 Ų3739.3 Ų39.317%0.17321%0.208CC..THydrogen-bonded Turntrans-71.1-9.3-178.2-61.3175.131.800113.2E58 G59 L402 R403E58-Q75 PolarHBondContact O-NE2 3.49Å; G59-Q75 WeakPolarHBondContact O-CG 3.41Å; Q75-L402 HydrophobicContact CB-CD2 4.34Å; Q75-R403 HydrophobicContact CB-CG 4.06Å
76E92.6Very high95.2Very high84 Ų8445.3 Ų45.339%0.39325%0.247SC..THydrogen-bonded Turntrans-94.4-11.6178.2-61.773.9-157.900113.4N74 R403N74-E76 VanDerWaalsContact CB-OE2 3.31Å; N74-E76 WeakPolarHBondContact CB-OE2 3.48Å; N74-E76 PolarHBondContact ND2-OE2 2.95Å; N74-E76 PolarHBondContact O-N 3.4Å; N74-E76 WeakPolarHBondContact OD1-CA 3.39Å; N74-E76 WeakPolarHBondContact OD1-CB 3.21Å; N74-E76 PolarHBondContact OD1-N 2.85Å; N74-E76 VanDerWaalsContact OD1-N 3.08Å; N74-E76 PolarHBondContact OD1-OE2 3Å; E76-R403 VanDerWaalsContact CG-CZ 3.48Å; E76-R403 IonicContact OE1-CZ 3.37Å; E76-R403 IonicContact OE1-NE 3.72Å; E76-R403 PolarHBondContact OE1-NE 2.83Å; E76-R403 IonicContact OE1-NH2 3.99Å; E76-R403 PolarHBondContact OE1-NH2 2.85Å
77G93.5Very high94.9Very high14 Ų1444.6 Ų44.614%0.14425%0.25CC..SBendtrans84.618.1-17400000115W40 N74W40-G77 VanDerWaalsContact CG-CA 3.47Å; W40-G77 VanDerWaalsContact CZ2-N 3.29Å; N74-G77 PolarHBondContact O-N 2.79Å; N74-G77 PolarHBondContact OD1-N 2.84Å
78T95.2Very high94.8Very high79 Ų7941.8 Ų41.849%0.48525%0.246SC..  trans-81.2131.7167.5-41.30000109W73 N74 L80W73-T78 WeakPolarHBondContact CA-O 3.29Å; N74-T78 PolarHBondContact N-O 3.41Å; N74-T78 VanDerWaalsContact N-O 3.08Å; N74-T78 VanDerWaalsContact ND2-CB 3.27Å; N74-T78 WeakPolarHBondContact ND2-CB 3.12Å; N74-T78 PolarHBondContact ND2-OG1 2.99Å; N74-T78 WeakPolarHBondContact OD1-CA 3.35Å; N74-T78 WeakPolarHBondContact OD1-CB 3.37Å; N74-T78 PolarHBondContact OD1-N 3.45Å; N74-T78 PolarHBondContact OD1-O 2.82Å; N74-T78 PolarHBondContact OD1-OG1 2.87Å; T78-L80 PolarHBondContact O-N 2.79Å
79V96.4Very high94.9Very high50 Ų5045.2 Ų45.230%0.30326%0.264SS..EExtended strand (participates in β ladder)trans-64.2118.5168.8176.40000108.8T71 W73 S82T71-V79 HydrophobicContact CG2-CB 4.4Å; T71-V79 HydrophobicContact CG2-CG1 3.82Å; T71-V79 HydrophobicContact CG2-CG2 3.96Å; W73-V79 HydrophobicContact CD2-CG2 4.45Å; W73-V79 HydrophobicContact CE3-CG2 3.73Å; W73-V79 HydrophobicContact CH2-CG2 3.86Å; W73-V79 HydrophobicContact CZ3-CG2 3.39Å; V79-S82 WeakPolarHBondContact CG1-OG 3.49Å
80L94.7Very high95Very high92 Ų9246.8 Ų46.848%0.48227%0.273SS..EExtended strand (participates in β ladder)trans-87.7-39.2174.7-65.8-179.1000111.2L60 V72 N74 T78L60-L80 HydrophobicContact CD2-CD1 3.63Å; V72-L80 HydrophobicContact CG1-CB 4.47Å; V72-L80 HydrophobicContact CG1-CD1 4.4Å; V72-L80 PolarHBondContact O-N 3Å; N74-L80 HydrophobicContact CB-CD1 3.98Å; N74-L80 HydrophobicContact CB-CD2 4.08Å; N74-L80 HydrophobicContact CB-CG 4.06Å; T78-L80 PolarHBondContact O-N 2.79Å
81A93.7Very high95Very high31 Ų3146.8 Ų46.826%0.25627%0.273SS..EExtended strand (participates in β ladder)trans-164.4155.3175.400000110.6V72 L120V72-A81 PolarHBondContact N-O 3.4Å; V72-A81 PolarHBondContact O-N 3.13Å; A81-L120 HydrophobicContact CB-CB 3.99Å; A81-L120 HydrophobicContact CB-CD1 3.67Å; A81-L120 HydrophobicContact CB-CG 4.23Å; A81-L120 WeakPolarHBondContact O-CD1 3.14Å
82S94.8Very high95Very high62 Ų6247.9 Ų47.943%0.43428%0.28SS..EExtended strand (participates in β ladder)trans-136148.2175-59.30000110.1V70 T71 V79V70-S82 CarbonylContact O-C 3.6Å; V70-S82 VanDerWaalsContact O-CA 3.25Å; V70-S82 WeakPolarHBondContact O-CA 3.32Å; T71-S82 WeakPolarHBondContact CG2-OG 3.41Å; T71-S82 WeakPolarHBondContact OG1-CB 3.28Å; T71-S82 PolarHBondContact OG1-OG 3.11Å; V79-S82 WeakPolarHBondContact CG1-OG 3.49Å
83L95.7Very high95.1Very high33 Ų3348 Ų4817%0.17328%0.28CS..EExtended strand (participates in β ladder)trans-140.2131.2178.7173.468.1000108.2V70 L85 L115 L120V70-L83 PolarHBondContact N-O 3.16Å; V70-L83 PolarHBondContact O-N 3.27Å; L83-L85 HydrophobicContact CD2-CD2 4.03Å; L83-L115 HydrophobicContact CD2-CD1 4.23Å; L83-L115 HydrophobicContact CD2-CD2 4.08Å; L83-L120 HydrophobicContact CB-CB 4.28Å; L83-L120 HydrophobicContact CB-CD2 4.27Å; L83-L120 HydrophobicContact CD2-CD2 4.27Å
84R95.9Very high95.2Very high115 Ų11548.1 Ų48.143%0.43428%0.282SS..EExtended strand (participates in β ladder)trans-94.8123.1165-172.9175.9-77.5-126.45.6108.6S45 E67 E69S45-R84 PolarHBondContact OG-NH2 3.39Å; E67-R84 IonicContact OE2-CZ 3.65Å; E67-R84 IonicContact OE2-NH1 2.84Å; E67-R84 PolarHBondContact OE2-NH1 2.91Å; E67-R84 IonicContact OE2-NH2 3.53Å; E69-R84 VanDerWaalsContact CD-NH2 3.29Å; E69-R84 HydrophobicContact CG-CG 4.45Å; E69-R84 IonicContact OE1-CZ 3.37Å; E69-R84 IonicContact OE1-NE 3.29Å; E69-R84 PolarHBondContact OE1-NE 3Å; E69-R84 IonicContact OE1-NH2 2.7Å; E69-R84 PolarHBondContact OE1-NH2 2.72Å; E69-R84 IonicContact OE2-NH2 4Å
85L94.9Very high95.3Very high6 Ų648.3 Ų48.33%0.03128%0.284CS..  trans-68.6143.6-179.9-65.4172.8000110.4G68 V70 L83 S87 G88 V91 V106 H108G68-L85 PolarHBondContact O-N 3.18Å; V70-L85 HydrophobicContact CG2-CD1 4.01Å; V70-L85 HydrophobicContact CG2-CG 4.14Å; L83-L85 HydrophobicContact CD2-CD2 4.03Å; L85-S87 VanDerWaalsContact C-N 3.27Å; L85-S87 PolarHBondContact O-N 2.92Å; L85-G88 PolarHBondContact O-N 2.63Å; L85-V91 HydrophobicContact CD1-CG2 3.93Å; L85-V106 HydrophobicContact CD1-CG1 4.32Å; L85-H108 HydrophobicContact CD1-CB 3.95Å
86P90.8Very high95.4Very high125 Ų12547.2 Ų47.281%0.81228%0.279SS*.THydrogen-bonded Turntrans-63.5-27.3-174.2-24.734.7000115.2G88P86-G88 VanDerWaalsContact C-N 3.32Å
87S90.9Very high95.5Very high54 Ų5443.6 Ų43.638%0.37826%0.262SS..THydrogen-bonded Turntrans-66.1-35.6177.948.90000112.1L85 D89 H108L85-S87 VanDerWaalsContact C-N 3.27Å; L85-S87 PolarHBondContact O-N 2.92Å; S87-D89 WeakPolarHBondContact CB-OD2 3.42Å; S87-D89 PolarHBondContact O-N 3.37Å; S87-D89 PolarHBondContact OG-N 3.49Å; S87-H108 PolarHBondContact OG-ND1 3.5Å
88G93.9Very high95.2Very high34 Ų3446.7 Ų46.735%0.35128%0.28SS..  trans69.98.9-169.700000113.5E67 L85 P86E67-G88 CarbonylContact C-O 3.51Å; E67-G88 WeakPolarHBondContact CA-O 3.23Å; L85-G88 PolarHBondContact O-N 2.63Å; P86-G88 VanDerWaalsContact C-N 3.32Å
89D97.4Very high94.8Very high72 Ų7246.1 Ų46.139%0.38528%0.283SS..  trans-72.6153.1174.3-61.6-33.4000110.1G68 S87 H108G68-D89 WeakPolarHBondContact CA-O 3.23Å; G68-D89 PolarHBondContact N-O 2.92Å; G68-D89 VanDerWaalsContact N-O 3.16Å; S87-D89 WeakPolarHBondContact CB-OD2 3.42Å; S87-D89 PolarHBondContact O-N 3.37Å; S87-D89 PolarHBondContact OG-N 3.49Å; D89-H108 HydrophobicContact CB-CB 4.18Å
90D98.1Very high94.3Very high66 Ų6645.4 Ų45.435%0.35328%0.283SS..  trans-64.1140.8-174.9-70.7-14.3000112.5L49 E66 E67 T92 H108L49-D90 HydrophobicContact CD1-CB 3.76Å; E66-D90 WeakPolarHBondContact CA-OD1 3.15Å; E67-D90 PolarHBondContact N-OD1 2.95Å; D90-T92 HydrophobicContact CB-CG2 4.42Å; D90-T92 PolarHBondContact O-N 3.26Å; D90-H108 WeakPolarHBondContact O-CA 3.36Å
91V98.4Very high93.5Very high0 Ų044 Ų440%028%0.279CS..  trans-93.489.6177.4-175.60000110.7L49 C50 G64 S65 V70 L85 V106 S107L49-V91 WeakPolarHBondContact CB-O 3.31Å; C50-V91 PolarHBondContact SG-O 3.32Å; G64-V91 VanDerWaalsContact CA-CG1 3.49Å; S65-V91 PolarHBondContact O-N 3.13Å; V70-V91 HydrophobicContact CG2-CG1 4.34Å; V70-V91 HydrophobicContact CG2-CG2 3.9Å; L85-V91 HydrophobicContact CD1-CG2 3.93Å; V91-V106 HydrophobicContact CB-CG1 4.35Å; V91-V106 HydrophobicContact CG1-CG1 3.16Å; V91-V106 HydrophobicContact CG2-CG1 4.27Å; V91-S107 WeakPolarHBondContact CA-O 3.35Å
92T98.3Very high93.1Very high22 Ų2243.6 Ų43.614%0.13528%0.278CS..  trans-82-19.7-172.5580000114.7C50 D90 S107 I135C50-T92 WeakPolarHBondContact CB-O 3.23Å; D90-T92 HydrophobicContact CB-CG2 4.42Å; D90-T92 PolarHBondContact O-N 3.26Å; T92-S107 PolarHBondContact OG1-OG 2.91Å; T92-I135 VanDerWaalsContact CB-O 3.32Å; T92-I135 WeakPolarHBondContact CB-O 3.44Å; T92-I135 WeakPolarHBondContact CG2-O 3.41Å; T92-I135 PolarHBondContact OG1-O 3.25Å
93S98.4Very high93.1Very high2 Ų242.9 Ų42.91%0.01427%0.269CS..EExtended strand (participates in β ladder)trans-156.2139.2-177.4-153.50000112.8C50 V106 S107 L138C50-S93 VanDerWaalsContact SG-C 3.56Å; C50-S93 VanDerWaalsContact SG-CA 3.55Å; C50-S93 PolarHBondContact SG-N 2.85Å; S93-V106 WeakPolarHBondContact O-CA 3.34Å; S93-S107 WeakPolarHBondContact CA-OG 3.29Å; S93-S107 WeakPolarHBondContact CB-OG 3.09Å; S93-S107 PolarHBondContact N-OG 2.88Å; S93-S107 PolarHBondContact O-N 2.98Å; S93-S107 PolarHBondContact O-OG 2.83Å; S93-L138 PolarHBondContact OG-N 2.97Å; S93-L138 VanDerWaalsContact OG-N 3.08Å
94A98Very high93.1Very high4 Ų441.3 Ų41.33%0.03326%0.261CS..EExtended strand (participates in β ladder)trans-137.7124.1178.400000110.5G52 L104 Y105G52-A94 WeakPolarHBondContact CA-O 3.22Å; A94-L104 HydrophobicContact CB-CD1 4.36Å; A94-Y105 CarbonylContact C-O 3.51Å; A94-Y105 WeakPolarHBondContact CA-O 3.33Å
95V97Very high93.2Very high33 Ų3336.1 Ų36.120%0.224%0.241CC..EExtended strand (participates in β ladder)trans-135.5125.3-176.5-174.70000110.9Y105 L138 L140V95-Y105 PolarHBondContact N-O 3.28Å; V95-Y105 PolarHBondContact O-N 3.33Å; V95-L138 HydrophobicContact CG2-CB 3.86Å; V95-L138 WeakPolarHBondContact CG2-O 3.46Å; V95-L140 HydrophobicContact CG1-CB 4.25Å; V95-L140 HydrophobicContact CG1-CD1 3.98Å; V95-L140 HydrophobicContact CG1-CG 4.11Å
96F95.5Very high93.3Very high14 Ų1435.9 Ų35.96%0.06124%0.24CC..EExtended strand (participates in β ladder)trans-76.1143.4172.8-73.5-89.1000111.3G52 A53 L60 A62 P98 L104 P117G52-F96 WeakPolarHBondContact O-CE2 3.49Å; A53-F96 VanDerWaalsContact C-CD2 3.41Å; L60-F96 HydrophobicContact CB-CE1 4.11Å; L60-F96 HydrophobicContact CB-CZ 4Å; A62-F96 HydrophobicContact CB-CE2 3.63Å; A62-F96 HydrophobicContact CB-CZ 3.62Å; F96-P98 WeakPolarHBondContact O-CD 3.47Å; F96-L104 HydrophobicContact CD1-CB 4.41Å; F96-L104 HydrophobicContact CD1-CD1 4.12Å; F96-L104 HydrophobicContact CD2-CD1 3.99Å; F96-L104 HydrophobicContact CE1-CB 4.39Å; F96-L104 HydrophobicContact CE1-CD1 4.11Å; F96-L104 HydrophobicContact CE2-CD1 3.97Å; F96-L104 HydrophobicContact CG-CD1 4.08Å; F96-L104 HydrophobicContact CZ-CD1 4.04Å; F96-P117 HydrophobicContact CE1-CB 3.96Å; F96-P117 HydrophobicContact CE1-CG 3.96Å
97S93.3Very high93.7Very high7 Ų729.9 Ų29.95%0.04920%0.201CC..  trans-70.7123.7172.9-174.80000111.7A99 A100 L103S97-A99 VanDerWaalsContact C-N 3.26Å; S97-A99 PolarHBondContact O-N 3.46Å; S97-A99 PolarHBondContact OG-N 2.99Å; S97-A100 WeakPolarHBondContact CB-O 3.39Å; S97-A100 CarbonylContact O-C 3.57Å; S97-A100 PolarHBondContact OG-N 3.03Å; S97-A100 VanDerWaalsContact OG-N 3.14Å; S97-L103 PolarHBondContact N-O 2.78Å
98P87.8Confident94Very high79 Ų7927.8 Ų27.851%0.51319%0.185SC..SBendtrans-69.6-27174.528.4-33.5000112.1F96F96-P98 WeakPolarHBondContact O-CD 3.47Å
99A86.5Confident94.2Very high67 Ų6726.4 Ų26.455%0.55417%0.171SC*.SBendtrans-90.6-25.2-178.200000113.3S97 T143S97-A99 VanDerWaalsContact C-N 3.26Å; S97-A99 PolarHBondContact O-N 3.46Å; S97-A99 PolarHBondContact OG-N 2.99Å; A99-T143 WeakPolarHBondContact CB-O 3.32Å
100A86.4Confident94.2Very high35 Ų3528 Ų2829%0.28918%0.176SC..  trans-133.684.7-178.700000110.1S97 G102 L103S97-A100 WeakPolarHBondContact CB-O 3.39Å; S97-A100 CarbonylContact O-C 3.57Å; S97-A100 PolarHBondContact OG-N 3.03Å; S97-A100 VanDerWaalsContact OG-N 3.14Å; A100-G102 PolarHBondContact O-N 2.95Å; A100-L103 HydrophobicContact CB-CB 4.44Å; A100-L103 HydrophobicContact CB-CD1 3.88Å; A100-L103 HydrophobicContact CB-CG 4.06Å; A100-L103 PolarHBondContact O-N 2.85Å
101P77.4Confident94.2Very high63 Ų6326.2 Ų26.241%0.40917%0.167SC..THydrogen-bonded Turntrans-56.5-14.3-173.2-27.635.1000116.1
102G85.8Confident94.2Very high22 Ų2226.2 Ų26.223%0.22717%0.167CC..THydrogen-bonded Turntrans-90.212.2173.100000114.9A100 D116 P117A100-G102 PolarHBondContact O-N 2.95Å; G102-D116 WeakPolarHBondContact O-CA 3.44Å; G102-P117 VanDerWaalsContact O-CD 3.22Å; G102-P117 WeakPolarHBondContact O-CD 3.48Å
103L93.6Very high94.2Very high48 Ų4825.2 Ų25.225%0.25116%0.161SC..  trans-119.8131.1175.1-62-178.9000110.9S97 A100 Y105 V114 L115S97-L103 PolarHBondContact N-O 2.78Å; A100-L103 HydrophobicContact CB-CB 4.44Å; A100-L103 HydrophobicContact CB-CD1 3.88Å; A100-L103 HydrophobicContact CB-CG 4.06Å; A100-L103 PolarHBondContact O-N 2.85Å; L103-Y105 HydrophobicContact CB-CE2 4.28Å; L103-V114 HydrophobicContact CB-CG1 4.3Å; L103-V114 HydrophobicContact CD2-CG1 3.97Å; L103-V114 HydrophobicContact CG-CG1 4.49Å; L103-L115 WeakPolarHBondContact CA-O 3.45Å
104L96.3Very high94.1Very high0 Ų025.2 Ų25.20%016%0.161CC..EExtended strand (participates in β ladder)trans-121.2124.2174173.767.1000108.5A62 V70 V72 A94 F96 V106 V114 L115 P117A62-L104 HydrophobicContact CB-CD1 3.73Å; A62-L104 HydrophobicContact CB-CD2 3.52Å; A62-L104 HydrophobicContact CB-CG 4.28Å; V70-L104 HydrophobicContact CG1-CD2 4.39Å; V72-L104 HydrophobicContact CG2-CD2 4.36Å; A94-L104 HydrophobicContact CB-CD1 4.36Å; F96-L104 HydrophobicContact CD1-CB 4.41Å; F96-L104 HydrophobicContact CD1-CD1 4.12Å; F96-L104 HydrophobicContact CD2-CD1 3.99Å; F96-L104 HydrophobicContact CE1-CB 4.39Å; F96-L104 HydrophobicContact CE1-CD1 4.11Å; F96-L104 HydrophobicContact CE2-CD1 3.97Å; F96-L104 HydrophobicContact CG-CD1 4.08Å; F96-L104 HydrophobicContact CZ-CD1 4.04Å; L104-V106 HydrophobicContact CD1-CG2 4.47Å; L104-V106 HydrophobicContact CD2-CG2 3.87Å; L104-V106 HydrophobicContact CG-CG2 3.72Å; L104-V114 CarbonylContact O-C 3.51Å; L104-V114 WeakPolarHBondContact O-CA 3.25Å; L104-L115 HydrophobicContact CB-CB 4.39Å; L104-L115 HydrophobicContact CD2-CD1 4.46Å; L104-L115 PolarHBondContact N-O 3.01Å; L104-L115 PolarHBondContact O-N 2.82Å; L104-P117 HydrophobicContact CB-CB 4.47Å
105Y97.9Very high94Very high6 Ų625 Ų252%0.02416%0.16CC..EExtended strand (participates in β ladder)trans-97.8128.5174.7-63.8-94.7000109A94 V95 L103 V112 V114 L127 L140 L147 L161A94-Y105 CarbonylContact C-O 3.51Å; A94-Y105 WeakPolarHBondContact CA-O 3.33Å; V95-Y105 PolarHBondContact N-O 3.28Å; V95-Y105 PolarHBondContact O-N 3.33Å; L103-Y105 HydrophobicContact CB-CE2 4.28Å; Y105-V112 HydrophobicContact CD1-CG1 4.04Å; Y105-V114 HydrophobicContact CD1-CB 4.45Å; Y105-V114 HydrophobicContact CD1-CG1 4.26Å; Y105-V114 HydrophobicContact CD1-CG2 3.66Å; Y105-V114 HydrophobicContact CE1-CB 4.32Å; Y105-V114 HydrophobicContact CE1-CG1 3.89Å; Y105-V114 HydrophobicContact CE1-CG2 3.49Å; Y105-V114 VanDerWaalsContact CE1-CG2 3.49Å; Y105-L127 HydrophobicContact CD1-CD1 4.4Å; Y105-L127 HydrophobicContact CE1-CD1 4.35Å; Y105-L140 HydrophobicContact CD2-CD1 3.71Å; Y105-L140 HydrophobicContact CD2-CD2 4.48Å; Y105-L140 HydrophobicContact CD2-CG 4.48Å; Y105-L140 HydrophobicContact CE2-CD1 3.85Å; Y105-L140 HydrophobicContact CE2-CD2 4.35Å; Y105-L147 HydrophobicContact CD1-CD2 4.02Å; Y105-L161 HydrophobicContact CE1-CD1 3.89Å; Y105-L161 HydrophobicContact CE1-CD2 3.86Å; Y105-L161 HydrophobicContact CE2-CD1 4.28Å; Y105-L161 WeakPolarHBondContact OH-CD1 3.39Å
106V98.2Very high93.9Very high0 Ų025.9 Ų25.90%016%0.163CC..EExtended strand (participates in β ladder)trans-130.1123.2-174.8-175.70000109.2V70 L85 V91 S93 L104 V112 S113 L115V70-V106 HydrophobicContact CG1-CG2 4.3Å; V70-V106 HydrophobicContact CG2-CG1 3.8Å; L85-V106 HydrophobicContact CD1-CG1 4.32Å; V91-V106 HydrophobicContact CB-CG1 4.35Å; V91-V106 HydrophobicContact CG1-CG1 3.16Å; V91-V106 HydrophobicContact CG2-CG1 4.27Å; S93-V106 WeakPolarHBondContact O-CA 3.34Å; L104-V106 HydrophobicContact CD1-CG2 4.47Å; L104-V106 HydrophobicContact CD2-CG2 3.87Å; L104-V106 HydrophobicContact CG-CG2 3.72Å; V106-V112 CarbonylContact O-C 3.49Å; V106-V112 VanDerWaalsContact O-CA 3.31Å; V106-V112 WeakPolarHBondContact O-CA 3.47Å; V106-S113 PolarHBondContact N-O 3.29Å; V106-S113 PolarHBondContact O-N 2.89Å; V106-L115 HydrophobicContact CB-CD1 4.48Å; V106-L115 HydrophobicContact CG2-CD1 3.74Å; V106-L115 HydrophobicContact CG2-CG 4.23Å
107S98.3Very high93.8Very high0 Ų025.3 Ų25.30%016%0.161CC..EExtended strand (participates in β ladder)trans-83.3143.6174.253.10000111.5V91 T92 S93 I135V91-S107 WeakPolarHBondContact CA-O 3.35Å; T92-S107 PolarHBondContact OG1-OG 2.91Å; S93-S107 WeakPolarHBondContact CA-OG 3.29Å; S93-S107 WeakPolarHBondContact CB-OG 3.09Å; S93-S107 PolarHBondContact N-OG 2.88Å; S93-S107 PolarHBondContact O-N 2.98Å; S93-S107 PolarHBondContact O-OG 2.83Å; S107-I135 VanDerWaalsContact CB-CG2 3.43Å
108H97.8Very high93.5Very high10 Ų1031.9 Ų31.95%0.04619%0.185CC..EExtended strand (participates in β ladder)trans-158.3129.3168.361.1101.8000108.3L85 S87 D89 D90 E110 T111 S113L85-H108 HydrophobicContact CD1-CB 3.95Å; S87-H108 PolarHBondContact OG-ND1 3.5Å; D89-H108 HydrophobicContact CB-CB 4.18Å; D90-H108 WeakPolarHBondContact O-CA 3.36Å; H108-E110 PolarHBondContact O-N 2.68Å; H108-T111 PolarHBondContact N-O 2.93Å; H108-T111 PolarHBondContact O-N 3.12Å; H108-S113 PolarHBondContact NE2-OG 2.95Å
109G97.6Very high93.4Very high4 Ų430.5 Ų30.54%0.04118%0.177CC..THydrogen-bonded Turntrans57.4-133-175.300000111.1T111 E134 I135G109-T111 VanDerWaalsContact C-N 3.32Å; G109-E134 WeakPolarHBondContact CA-OE1 3.01Å; G109-E134 VanDerWaalsContact CA-OE2 3.28Å; G109-E134 WeakPolarHBondContact CA-OE2 3.45Å; G109-E134 PolarHBondContact N-OE1 3.18Å; G109-I135 WeakPolarHBondContact O-CG1 2.94Å; G109-I135 PolarHBondContact O-N 3.18Å
110E97.7Very high93.3Very high106 Ų10628.1 Ų28.150%0.49516%0.155SC..THydrogen-bonded Turntrans-88.53.8175.8-62.1169.9-16000113.4H108 A130 G131H108-E110 PolarHBondContact O-N 2.68Å; E110-A130 PolarHBondContact O-N 2.85Å; E110-A130 VanDerWaalsContact O-N 3.12Å; E110-G131 PolarHBondContact O-N 2.95Å
111T97.9Very high93.2Very high28 Ų2835.5 Ų35.517%0.17218%0.18CC..EExtended strand (participates in β ladder)trans-115.5151.6-167.8-60.80000112.2H108 G109 E126 I135H108-T111 PolarHBondContact N-O 2.93Å; H108-T111 PolarHBondContact O-N 3.12Å; G109-T111 VanDerWaalsContact C-N 3.32Å; T111-E126 HydrophobicContact CG2-CB 4.49Å; T111-I135 WeakPolarHBondContact O-CD1 3.04Å
112V98.6Very high93.6Very high0 Ų033.8 Ų33.80%017%0.174CC..EExtended strand (participates in β ladder)trans-115.7118.6165.5178.80000109.5Y105 V106 L127 A130 I135 L138 L147Y105-V112 HydrophobicContact CD1-CG1 4.04Å; V106-V112 CarbonylContact O-C 3.49Å; V106-V112 VanDerWaalsContact O-CA 3.31Å; V106-V112 WeakPolarHBondContact O-CA 3.47Å; V112-L127 HydrophobicContact CB-CB 4.18Å; V112-L127 HydrophobicContact CB-CD1 4.27Å; V112-L127 HydrophobicContact CB-CG 4.4Å; V112-L127 HydrophobicContact CG1-CD1 4.34Å; V112-L127 PolarHBondContact N-O 2.74Å; V112-L127 PolarHBondContact O-N 2.77Å; V112-A130 HydrophobicContact CB-CB 4.26Å; V112-A130 HydrophobicContact CG2-CB 3.72Å; V112-I135 HydrophobicContact CG2-CD1 3.82Å; V112-L138 HydrophobicContact CG1-CD1 4.09Å; V112-L138 HydrophobicContact CG2-CD1 4.16Å; V112-L138 HydrophobicContact CG2-CD2 3.72Å; V112-L147 HydrophobicContact CG1-CD2 4.05Å; V112-L147 HydrophobicContact CG2-CD2 4.33Å
113S97.6Very high93.9Very high1 Ų134.8 Ų34.81%0.00718%0.18CC..EExtended strand (participates in β ladder)trans-87.1133.4169.9-71.20000110.3V106 H108V106-S113 PolarHBondContact N-O 3.29Å; V106-S113 PolarHBondContact O-N 2.89Å; H108-S113 PolarHBondContact NE2-OG 2.95Å
114V97.4Very high94Very high2 Ų237.2 Ų37.21%0.01220%0.197CC..EExtended strand (participates in β ladder)trans-99.8117.9172.6-166.50000108L103 L104 Y105 A123 V124 E125 L127L103-V114 HydrophobicContact CB-CG1 4.3Å; L103-V114 HydrophobicContact CD2-CG1 3.97Å; L103-V114 HydrophobicContact CG-CG1 4.49Å; L104-V114 CarbonylContact O-C 3.51Å; L104-V114 WeakPolarHBondContact O-CA 3.25Å; Y105-V114 HydrophobicContact CD1-CB 4.45Å; Y105-V114 HydrophobicContact CD1-CG1 4.26Å; Y105-V114 HydrophobicContact CD1-CG2 3.66Å; Y105-V114 HydrophobicContact CE1-CB 4.32Å; Y105-V114 HydrophobicContact CE1-CG1 3.89Å; Y105-V114 HydrophobicContact CE1-CG2 3.49Å; Y105-V114 VanDerWaalsContact CE1-CG2 3.49Å; V114-A123 CarbonylContact O-C 3.56Å; V114-V124 PolarHBondContact O-N 2.97Å; V114-E125 HydrophobicContact CB-CB 3.96Å; V114-E125 HydrophobicContact CG2-CB 3.93Å; V114-E125 HydrophobicContact CG2-CG 4.45Å; V114-E125 PolarHBondContact N-O 2.98Å; V114-E125 PolarHBondContact O-N 2.89Å; V114-L127 HydrophobicContact CG2-CD1 4.37Å; V114-L127 HydrophobicContact CG2-CD2 4.28Å; V114-L127 HydrophobicContact CG2-CG 4.11Å
115L96.4Very high93.9Very high0 Ų040 Ų400%021%0.21CC..EExtended strand (participates in β ladder)trans-113.1151-175-50.3-177.6000110.4V70 L83 L103 L104 V106 P117 L120 A123V70-L115 HydrophobicContact CB-CD1 4.49Å; V70-L115 HydrophobicContact CG1-CD1 4.01Å; L83-L115 HydrophobicContact CD2-CD1 4.23Å; L83-L115 HydrophobicContact CD2-CD2 4.08Å; L103-L115 WeakPolarHBondContact CA-O 3.45Å; L104-L115 HydrophobicContact CB-CB 4.39Å; L104-L115 HydrophobicContact CD2-CD1 4.46Å; L104-L115 PolarHBondContact N-O 3.01Å; L104-L115 PolarHBondContact O-N 2.82Å; V106-L115 HydrophobicContact CB-CD1 4.48Å; V106-L115 HydrophobicContact CG2-CD1 3.74Å; V106-L115 HydrophobicContact CG2-CG 4.23Å; L115-P117 WeakPolarHBondContact O-CD 3.47Å; L115-L120 HydrophobicContact CB-CD2 3.98Å; L115-L120 HydrophobicContact CD1-CD2 3.62Å; L115-L120 HydrophobicContact CG-CD2 4.33Å; L115-A123 HydrophobicContact CD2-CB 4.01Å
116D94.2Very high93.8Very high51 Ų5144.2 Ų44.227%0.27323%0.23SC..  trans-90109.9161.1-178.5-12.8000108.3G102 R118 S119 L120 V124G102-D116 WeakPolarHBondContact O-CA 3.44Å; D116-R118 PolarHBondContact O-N 3.23Å; D116-R118 VanDerWaalsContact O-N 3.13Å; D116-R118 WeakPolarHBondContact OD1-CB 2.93Å; D116-R118 PolarHBondContact OD1-N 3.4Å; D116-S119 CarbonylContact O-C 3.47Å; D116-S119 PolarHBondContact O-N 3.47Å; D116-L120 PolarHBondContact O-N 3.13Å; D116-V124 HydrophobicContact CB-CG2 4.05Å
117P92.2Very high93.8Very high3 Ų344.6 Ų44.62%0.01923%0.232CC..THydrogen-bonded Turntrans-66.1-15.5-176.929.7-35.1000112.9L60 V72 F96 G102 L104 L115L60-P117 HydrophobicContact CD1-CB 4.12Å; L60-P117 HydrophobicContact CD1-CG 4.12Å; V72-P117 HydrophobicContact CG1-CB 4.3Å; V72-P117 HydrophobicContact CG2-CB 3.98Å; F96-P117 HydrophobicContact CE1-CB 3.96Å; F96-P117 HydrophobicContact CE1-CG 3.96Å; G102-P117 VanDerWaalsContact O-CD 3.22Å; G102-P117 WeakPolarHBondContact O-CD 3.48Å; L104-P117 HydrophobicContact CB-CB 4.47Å; L115-P117 WeakPolarHBondContact O-CD 3.47Å
118R87.9Confident93.6Very high145 Ų14551.8 Ų51.855%0.54727%0.265SS..THydrogen-bonded Turntrans-87.6-14.7175.1-57.8175.9-176.8163.31.4112.5E58 D116E58-R118 IonicContact OE1-CZ 3.29Å; E58-R118 VanDerWaalsContact OE1-CZ 3.28Å; E58-R118 IonicContact OE1-NE 2.75Å; E58-R118 PolarHBondContact OE1-NE 3.26Å; E58-R118 IonicContact OE1-NH2 2.6Å; E58-R118 PolarHBondContact OE1-NH2 2.78Å; E58-R118 IonicContact OE2-CZ 3.31Å; E58-R118 VanDerWaalsContact OE2-CZ 3.22Å; E58-R118 IonicContact OE2-NE 2.9Å; E58-R118 PolarHBondContact OE2-NE 3.02Å; E58-R118 IonicContact OE2-NH2 3.06Å; E58-R118 PolarHBondContact OE2-NH2 3.05Å; D116-R118 PolarHBondContact O-N 3.23Å; D116-R118 VanDerWaalsContact O-N 3.13Å; D116-R118 WeakPolarHBondContact OD1-CB 2.93Å; D116-R118 PolarHBondContact OD1-N 3.4Å
119S86.1Confident93.4Very high49 Ų4952.8 Ų52.834%0.34328%0.278SS..  trans-147.876-1791750000110.6D116 K121D116-S119 CarbonylContact O-C 3.47Å; D116-S119 PolarHBondContact O-N 3.47Å; S119-K121 PolarHBondContact O-N 3.44Å
120L85Confident93.3Very high17 Ų1752.6 Ų52.69%0.08928%0.277CS..  trans-72.353.3176.6-78.8174.8000113.6V72 A81 L83 L115 D116V72-L120 HydrophobicContact CB-CD1 4.07Å; V72-L120 HydrophobicContact CG2-CD1 3.62Å; V72-L120 HydrophobicContact CG2-CG 4.36Å; A81-L120 HydrophobicContact CB-CB 3.99Å; A81-L120 HydrophobicContact CB-CD1 3.67Å; A81-L120 HydrophobicContact CB-CG 4.23Å; A81-L120 WeakPolarHBondContact O-CD1 3.14Å; L83-L120 HydrophobicContact CB-CB 4.28Å; L83-L120 HydrophobicContact CB-CD2 4.27Å; L83-L120 HydrophobicContact CD2-CD2 4.27Å; L115-L120 HydrophobicContact CB-CD2 3.98Å; L115-L120 HydrophobicContact CD1-CD2 3.62Å; L115-L120 HydrophobicContact CG-CD2 4.33Å; D116-L120 PolarHBondContact O-N 3.13Å
121K83.3Confident93.3Very high190 Ų19047.7 Ų47.783%0.82625%0.254SS*.SBendtrans-84-14.7176.2-67.3-178.4-178.8176.50113.2S119S119-K121 PolarHBondContact O-N 3.44Å
122G86.8Confident93.3Very high28 Ų2848.8 Ų48.829%0.28926%0.257SS..SBendtrans158178.4-17600000110.6
123A91.9Very high93.3Very high42 Ų4253.3 Ų53.335%0.34728%0.278SS..EExtended strand (participates in β ladder)trans-70132.717500000111.3V114 L115 E125 E126V114-A123 CarbonylContact O-C 3.56Å; L115-A123 HydrophobicContact CD2-CB 4.01Å; A123-E125 VanDerWaalsContact C-N 3.34Å; A123-E126 HydrophobicContact CB-CG 3.9Å
124V94.2Very high93.3Very high99 Ų9956 Ų5660%0.629%0.291SS*.EExtended strand (participates in β ladder)trans-73.7-34.7170.2-177.20000109.8V114 D116V114-V124 PolarHBondContact O-N 2.97Å; D116-V124 HydrophobicContact CB-CG2 4.05Å
125E95.2Very high93.4Very high59 Ų5955.9 Ų55.928%0.27629%0.29SS..EExtended strand (participates in β ladder)trans-150146.3177.4-173.4-177.5-175.300108.9V114 A123 L127 G163V114-E125 HydrophobicContact CB-CB 3.96Å; V114-E125 HydrophobicContact CG2-CB 3.93Å; V114-E125 HydrophobicContact CG2-CG 4.45Å; V114-E125 PolarHBondContact N-O 2.98Å; V114-E125 PolarHBondContact O-N 2.89Å; A123-E125 VanDerWaalsContact C-N 3.34Å; E125-L127 HydrophobicContact CG-CD2 3.81Å; E125-L127 WeakPolarHBondContact OE1-CD2 3.46Å; E125-G163 WeakPolarHBondContact OE1-CA 3.46Å; E125-G163 PolarHBondContact OE1-N 3.41Å
126E96.2Very high93.5Very high94 Ų9457.8 Ų57.844%0.43930%0.301SS..EExtended strand (participates in β ladder)trans-118.1121.8170.3-70.6-173166.900109.6T111 A123 Q128T111-E126 HydrophobicContact CG2-CB 4.49Å; A123-E126 HydrophobicContact CB-CG 3.9Å; E126-Q128 HydrophobicContact CB-CG 4.46Å; E126-Q128 PolarHBondContact O-N 2.91Å
127L97.3Very high93.7Very high9 Ų955.8 Ų55.85%0.04729%0.29CS..EExtended strand (participates in β ladder)trans-91.180.5176-45.2-174.5000108.1Y105 V112 V114 E125 A130 L147 L159 L161Y105-L127 HydrophobicContact CD1-CD1 4.4Å; Y105-L127 HydrophobicContact CE1-CD1 4.35Å; V112-L127 HydrophobicContact CB-CB 4.18Å; V112-L127 HydrophobicContact CB-CD1 4.27Å; V112-L127 HydrophobicContact CB-CG 4.4Å; V112-L127 HydrophobicContact CG1-CD1 4.34Å; V112-L127 PolarHBondContact N-O 2.74Å; V112-L127 PolarHBondContact O-N 2.77Å; V114-L127 HydrophobicContact CG2-CD1 4.37Å; V114-L127 HydrophobicContact CG2-CD2 4.28Å; V114-L127 HydrophobicContact CG2-CG 4.11Å; E125-L127 HydrophobicContact CG-CD2 3.81Å; E125-L127 WeakPolarHBondContact OE1-CD2 3.46Å; L127-A130 HydrophobicContact CB-CB 4.32Å; L127-A130 VanDerWaalsContact O-CB 3.28Å; L127-A130 WeakPolarHBondContact O-CB 3.48Å; L127-A130 PolarHBondContact O-N 2.71Å; L127-L147 HydrophobicContact CD1-CD2 4.11Å; L127-L159 HydrophobicContact CB-CD1 4.43Å; L127-L159 HydrophobicContact CD1-CD1 4.02Å; L127-L161 HydrophobicContact CD1-CD2 3.97Å
128Q94.8Very high94Very high150 Ų15056 Ų5670%0.70129%0.291SS*.THydrogen-bonded Turntrans-68.3141.4179.7-66.5-171-3.300111.7E126 A130E126-Q128 HydrophobicContact CB-CG 4.46Å; E126-Q128 PolarHBondContact O-N 2.91Å; Q128-A130 PolarHBondContact O-N 2.93Å
129G92.3Very high94.5Very high31 Ų3149.6 Ų49.632%0.3227%0.27SS..THydrogen-bonded Turntrans62.532.5-174.700000112.3G131 R157G129-G131 VanDerWaalsContact C-N 3.32Å; G129-G131 CarbonylContact C-O 3.58Å; G129-R157 PolarHBondContact O-NH1 2.91Å
130A97.4Very high95Very high1 Ų148.4 Ų48.41%0.00826%0.259CS..SBendtrans-64.6-40.917300000110.8E110 V112 L127 Q128 I135 V149 R157 L159E110-A130 PolarHBondContact O-N 2.85Å; E110-A130 VanDerWaalsContact O-N 3.12Å; V112-A130 HydrophobicContact CB-CB 4.26Å; V112-A130 HydrophobicContact CG2-CB 3.72Å; L127-A130 HydrophobicContact CB-CB 4.32Å; L127-A130 VanDerWaalsContact O-CB 3.28Å; L127-A130 WeakPolarHBondContact O-CB 3.48Å; L127-A130 PolarHBondContact O-N 2.71Å; Q128-A130 PolarHBondContact O-N 2.93Å; A130-I135 HydrophobicContact CB-CD1 4.08Å; A130-V149 HydrophobicContact CB-CG2 4.41Å; A130-R157 WeakPolarHBondContact O-CD 3.49Å; A130-L159 HydrophobicContact CB-CD1 3.81Å
131G97.3Very high95.4Very high2 Ų247.9 Ų47.92%0.02126%0.257CS..SBendtrans-102.1171.3168.100000112.6E110 G129E110-G131 PolarHBondContact O-N 2.95Å; G129-G131 VanDerWaalsContact C-N 3.32Å; G129-G131 CarbonylContact C-O 3.58Å
132E97.8Very high95.8Very high52 Ų5243.7 Ų43.724%0.24324%0.24CC..SBendtrans-96.6-23.7166.2-75.4172.9-151.600113.4D151 R157 R171E132-D151 PolarHBondContact N-OD2 2.83Å; E132-R157 VanDerWaalsContact CD-NH2 3.29Å; E132-R157 VanDerWaalsContact CG-CZ 3.47Å; E132-R157 IonicContact OE1-CZ 3.95Å; E132-R157 VanDerWaalsContact OE1-CZ 3.31Å; E132-R157 IonicContact OE1-NE 3.95Å; E132-R157 PolarHBondContact OE1-NE 2.81Å; E132-R157 IonicContact OE1-NH2 3.55Å; E132-R157 PolarHBondContact OE1-NH2 3.33Å; E132-R171 IonicContact OE1-CZ 3.15Å; E132-R171 VanDerWaalsContact OE1-CZ 3.29Å; E132-R171 IonicContact OE1-NH1 2.7Å; E132-R171 IonicContact OE1-NH2 2.75Å; E132-R171 PolarHBondContact OE1-NH2 3.2Å; E132-R171 IonicContact OE2-CZ 2.9Å; E132-R171 IonicContact OE2-NH1 3.05Å; E132-R171 PolarHBondContact OE2-NH1 3.22Å; E132-R171 IonicContact OE2-NH2 3.67Å; E132-R171 PolarHBondContact OE2-NH2 2.85Å
133E98.1Very high96Very high94 Ų9446 Ų4644%0.43925%0.249SC..SBendtrans-143-165.4173.8-70-178.8-166.600107.2I135 D152 S153E133-I135 PolarHBondContact O-N 2.96Å; E133-D152 HydrophobicContact CB-CB 3.92Å; E133-S153 PolarHBondContact OE2-N 2.98Å
134E97.9Very high96.1Very high57 Ų5744.5 Ų44.527%0.26624%0.237SC..  trans-49.6127178-170.164.3-137.100111.2G109 D151 D152G109-E134 WeakPolarHBondContact CA-OE1 3.01Å; G109-E134 VanDerWaalsContact CA-OE2 3.28Å; G109-E134 WeakPolarHBondContact CA-OE2 3.45Å; G109-E134 PolarHBondContact N-OE1 3.18Å; E134-D151 CarbonylContact O-C 3.58Å; E134-D151 WeakPolarHBondContact O-CA 3.4Å; E134-D151 WeakPolarHBondContact O-CB 3.42Å; E134-D152 HydrophobicContact CB-CB 4.37Å; E134-D152 PolarHBondContact O-N 2.93Å
135I98.8Very high96.1Very high0 Ų042.5 Ų42.50%023%0.228CC..EExtended strand (participates in β ladder)trans-80.7131.7177.8-64.8168.4000108.3T92 S107 G109 T111 V112 A130 E133 L138 V149T92-I135 VanDerWaalsContact CB-O 3.32Å; T92-I135 WeakPolarHBondContact CB-O 3.44Å; T92-I135 WeakPolarHBondContact CG2-O 3.41Å; T92-I135 PolarHBondContact OG1-O 3.25Å; S107-I135 VanDerWaalsContact CB-CG2 3.43Å; G109-I135 WeakPolarHBondContact O-CG1 2.94Å; G109-I135 PolarHBondContact O-N 3.18Å; T111-I135 WeakPolarHBondContact O-CD1 3.04Å; V112-I135 HydrophobicContact CG2-CD1 3.82Å; A130-I135 HydrophobicContact CB-CD1 4.08Å; E133-I135 PolarHBondContact O-N 2.96Å; I135-L138 HydrophobicContact CG2-CD2 3.96Å; I135-L138 HydrophobicContact CG2-CG 4.41Å; I135-V149 HydrophobicContact CB-CG1 4.27Å; I135-V149 HydrophobicContact CD1-CG1 3.64Å; I135-V149 HydrophobicContact CG1-CG1 3.59Å; I135-V149 HydrophobicContact CG2-CG1 3.72Å
136N98.6Very high96.1Very high41 Ų4140.1 Ų40.122%0.21922%0.218CC..EExtended strand (participates in β ladder)trans-102.8-31.1177.9-68.2-69.1000113.4A150 D152 I176 V177N136-A150 PolarHBondContact N-O 3.22Å; N136-D152 PolarHBondContact ND2-N 2.77Å; N136-D152 PolarHBondContact ND2-OD1 2.85Å; N136-D152 PolarHBondContact OD1-OD1 2.87Å; N136-I176 WeakPolarHBondContact ND2-CG2 3.48Å; N136-V177 WeakPolarHBondContact CB-O 3.49Å; N136-V177 PolarHBondContact ND2-O 3.23Å
137S98.6Very high96.2Very high8 Ų835.7 Ų35.76%0.05620%0.197CC..EExtended strand (participates in β ladder)trans-154.1136.5-171.3-177.90000112.4A150 S178 V180S137-A150 PolarHBondContact N-O 3.26Å; S137-A150 PolarHBondContact O-N 2.89Å; S137-S178 WeakPolarHBondContact CB-O 2.82Å; S137-V180 PolarHBondContact OG-N 2.91Å
138L98.8Very high96.3Very high8 Ų835.2 Ų35.24%0.04220%0.195CC..EExtended strand (participates in β ladder)trans-112.3143.6173.3-63.9-178.6000110.5S93 V95 V112 I135 L147 A148 V149S93-L138 PolarHBondContact OG-N 2.97Å; S93-L138 VanDerWaalsContact OG-N 3.08Å; V95-L138 HydrophobicContact CG2-CB 3.86Å; V95-L138 WeakPolarHBondContact CG2-O 3.46Å; V112-L138 HydrophobicContact CG1-CD1 4.09Å; V112-L138 HydrophobicContact CG2-CD1 4.16Å; V112-L138 HydrophobicContact CG2-CD2 3.72Å; I135-L138 HydrophobicContact CG2-CD2 3.96Å; I135-L138 HydrophobicContact CG2-CG 4.41Å; L138-L147 HydrophobicContact CB-CD1 4.2Å; L138-L147 HydrophobicContact CD2-CD1 4.33Å; L138-L147 HydrophobicContact CD2-CD2 4.34Å; L138-L147 HydrophobicContact CD2-CG 4.44Å; L138-A148 WeakPolarHBondContact CA-O 3.37Å; L138-V149 HydrophobicContact CD2-CB 4.25Å; L138-V149 HydrophobicContact CD2-CG1 4.12Å; L138-V149 HydrophobicContact CD2-CG2 3.78Å
139A98Very high96.5Very high11 Ų1128.1 Ų28.19%0.09116%0.161CC..EExtended strand (participates in β ladder)trans-143.3129.316800000111.5A148 V180 F182A139-A148 HydrophobicContact CB-CB 4.48Å; A139-A148 PolarHBondContact N-O 3.04Å; A139-A148 PolarHBondContact O-N 3Å; A139-V180 HydrophobicContact CB-CG1 4.14Å; A139-V180 WeakPolarHBondContact CB-O 3.3Å; A139-F182 HydrophobicContact CB-CD2 4.16Å; A139-F182 WeakPolarHBondContact O-CD2 3.28Å; A139-F182 VanDerWaalsContact O-CE2 3.23Å; A139-F182 WeakPolarHBondContact O-CE2 3.5Å
140L96.2Very high96.8Very high23 Ų2326.6 Ų26.612%0.1215%0.146CC..EExtended strand (participates in β ladder)trans-91.1144.7170.5-76173000111V95 Y105 L147 L161V95-L140 HydrophobicContact CG1-CB 4.25Å; V95-L140 HydrophobicContact CG1-CD1 3.98Å; V95-L140 HydrophobicContact CG1-CG 4.11Å; Y105-L140 HydrophobicContact CD2-CD1 3.71Å; Y105-L140 HydrophobicContact CD2-CD2 4.48Å; Y105-L140 HydrophobicContact CD2-CG 4.48Å; Y105-L140 HydrophobicContact CE2-CD1 3.85Å; Y105-L140 HydrophobicContact CE2-CD2 4.35Å; L140-L147 HydrophobicContact CD2-CB 3.91Å; L140-L147 HydrophobicContact CD2-CD1 3.68Å; L140-L147 HydrophobicContact CD2-CG 4.4Å; L140-L147 HydrophobicContact CG-CD1 3.89Å; L140-L161 HydrophobicContact CD2-CD1 3.44Å; L140-L161 VanDerWaalsContact CD2-CD1 3.44Å
141N95.1Very high96.8Very high7 Ų726.6 Ų26.64%0.03715%0.146CC..  trans-74.1162.8168.375.1-13.9000110.9T143 G144 S145 A146 F182N141-T143 PolarHBondContact ND2-OG1 3.45Å; N141-T143 PolarHBondContact O-N 3.35Å; N141-T143 VanDerWaalsContact O-N 3.08Å; N141-T143 PolarHBondContact OD1-OG1 2.95Å; N141-G144 PolarHBondContact O-N 2.91Å; N141-G144 WeakPolarHBondContact OD1-CA 3.37Å; N141-G144 PolarHBondContact OD1-N 2.89Å; N141-S145 PolarHBondContact ND2-OG 3.28Å; N141-S145 PolarHBondContact OD1-N 3.19Å; N141-A146 HydrophobicContact CB-CB 4.45Å; N141-A146 PolarHBondContact N-O 3.44Å; N141-A146 PolarHBondContact OD1-N 2.98Å; N141-A146 PolarHBondContact OD1-O 3.35Å; N141-F182 HydrophobicContact CB-CB 4.4Å; N141-F182 HydrophobicContact CB-CD1 3.82Å; N141-F182 HydrophobicContact CB-CD2 3.85Å; N141-F182 HydrophobicContact CB-CE1 3.97Å; N141-F182 HydrophobicContact CB-CE2 3.97Å; N141-F182 HydrophobicContact CB-CG 3.76Å; N141-F182 HydrophobicContact CB-CZ 4.04Å; N141-F182 VanDerWaalsContact N-CD2 3.28Å
142E90.8Very high96.9Very high101 Ų10128.8 Ų28.847%0.47216%0.157SC..THydrogen-bonded Turntrans-57.7-28.4-177-66.5178.115700113.4G144 P184 L185E142-G144 VanDerWaalsContact C-N 3.33Å; E142-P184 WeakPolarHBondContact OE1-CA 3.43Å; E142-P184 VanDerWaalsContact OE1-CB 3.25Å; E142-P184 WeakPolarHBondContact OE1-CB 3.46Å; E142-L185 VanDerWaalsContact CD-N 3.32Å; E142-L185 PolarHBondContact OE1-N 2.78Å; E142-L185 PolarHBondContact OE2-N 2.94Å; E142-L185 VanDerWaalsContact OE2-N 3.12Å
143T91.2Very high96.9Very high78 Ų7828 Ų2848%0.47916%0.158SC..THydrogen-bonded Turntrans-84-7178.859.70000113.4A99 N141 S145A99-T143 WeakPolarHBondContact CB-O 3.32Å; N141-T143 PolarHBondContact ND2-OG1 3.45Å; N141-T143 PolarHBondContact O-N 3.35Å; N141-T143 VanDerWaalsContact O-N 3.08Å; N141-T143 PolarHBondContact OD1-OG1 2.95Å; T143-S145 PolarHBondContact O-N 3.41Å; T143-S145 PolarHBondContact OG1-OG 2.86Å
144G92.7Very high96.9Very high10 Ų1023.7 Ų23.710%0.10314%0.138CC..SBendtrans64.313.8-174.300000114.5N141 E142N141-G144 PolarHBondContact O-N 2.91Å; N141-G144 WeakPolarHBondContact OD1-CA 3.37Å; N141-G144 PolarHBondContact OD1-N 2.89Å; E142-G144 VanDerWaalsContact C-N 3.33Å
145S94.4Very high96.9Very high57 Ų5721.1 Ų21.140%0.39913%0.126SC..SBendtrans-96.6-10.7-175.170.90000113.4N141 T143 L161N141-S145 PolarHBondContact ND2-OG 3.28Å; N141-S145 PolarHBondContact OD1-N 3.19Å; T143-S145 PolarHBondContact O-N 3.41Å; T143-S145 PolarHBondContact OG1-OG 2.86Å; S145-L161 PolarHBondContact O-N 2.95Å
146A96.4Very high96.9Very high9 Ų921.1 Ų21.17%0.07413%0.126CC..EExtended strand (participates in β ladder)trans-138.4134.9178.100000111.3N141 V158 L159 F182N141-A146 HydrophobicContact CB-CB 4.45Å; N141-A146 PolarHBondContact N-O 3.44Å; N141-A146 PolarHBondContact OD1-N 2.98Å; N141-A146 PolarHBondContact OD1-O 3.35Å; A146-V158 HydrophobicContact CB-CG1 4.09Å; A146-L159 CarbonylContact C-O 3.49Å; A146-L159 WeakPolarHBondContact CA-O 3.25Å; A146-F182 HydrophobicContact CB-CZ 3.97Å
147L98.2Very high96.9Very high0 Ų021.4 Ų21.40%012%0.124CC..EExtended strand (participates in β ladder)trans-112122174.5-179.266.9000108.9Y105 V112 L127 L138 L140 V149 V158 L159 L161Y105-L147 HydrophobicContact CD1-CD2 4.02Å; V112-L147 HydrophobicContact CG1-CD2 4.05Å; V112-L147 HydrophobicContact CG2-CD2 4.33Å; L127-L147 HydrophobicContact CD1-CD2 4.11Å; L138-L147 HydrophobicContact CB-CD1 4.2Å; L138-L147 HydrophobicContact CD2-CD1 4.33Å; L138-L147 HydrophobicContact CD2-CD2 4.34Å; L138-L147 HydrophobicContact CD2-CG 4.44Å; L140-L147 HydrophobicContact CD2-CB 3.91Å; L140-L147 HydrophobicContact CD2-CD1 3.68Å; L140-L147 HydrophobicContact CD2-CG 4.4Å; L140-L147 HydrophobicContact CG-CD1 3.89Å; L147-V149 HydrophobicContact CD2-CG2 4.22Å; L147-V149 HydrophobicContact CG-CG2 4.1Å; L147-V158 CarbonylContact O-C 3.57Å; L147-V158 WeakPolarHBondContact O-CA 2.93Å; L147-L159 HydrophobicContact CB-CB 4.41Å; L147-L159 HydrophobicContact CD2-CD1 4.4Å; L147-L159 PolarHBondContact N-O 2.87Å; L147-L159 PolarHBondContact O-N 3.07Å; L147-L161 HydrophobicContact CB-CD1 3.91Å; L147-L161 HydrophobicContact CB-CG 4.28Å
148A98.6Very high96.9Very high0 Ų021 Ų210%012%0.122CC..EExtended strand (participates in β ladder)trans-91136.2168.700000109L138 A139 V156 R157 V180 F182 L190L138-A148 WeakPolarHBondContact CA-O 3.37Å; A139-A148 HydrophobicContact CB-CB 4.48Å; A139-A148 PolarHBondContact N-O 3.04Å; A139-A148 PolarHBondContact O-N 3Å; A148-V156 HydrophobicContact CB-CG1 4.43Å; A148-R157 CarbonylContact C-O 3.1Å; A148-R157 WeakPolarHBondContact CA-O 3.39Å; A148-V180 HydrophobicContact CB-CG1 4.1Å; A148-V180 HydrophobicContact CB-CG2 3.75Å; A148-F182 HydrophobicContact CB-CD2 4.25Å; A148-F182 HydrophobicContact CB-CE2 3.6Å; A148-F182 HydrophobicContact CB-CZ 4.07Å; A148-L190 HydrophobicContact CB-CD2 4.09Å
149V98.8Very high96.9Very high0 Ų020.7 Ų20.70%012%0.12CC..EExtended strand (participates in β ladder)trans-127.5120-176.9-176.70000107.1A130 I135 L138 L147 V156 R157 L159A130-V149 HydrophobicContact CB-CG2 4.41Å; I135-V149 HydrophobicContact CB-CG1 4.27Å; I135-V149 HydrophobicContact CD1-CG1 3.64Å; I135-V149 HydrophobicContact CG1-CG1 3.59Å; I135-V149 HydrophobicContact CG2-CG1 3.72Å; L138-V149 HydrophobicContact CD2-CB 4.25Å; L138-V149 HydrophobicContact CD2-CG1 4.12Å; L138-V149 HydrophobicContact CD2-CG2 3.78Å; L147-V149 HydrophobicContact CD2-CG2 4.22Å; L147-V149 HydrophobicContact CG-CG2 4.1Å; V149-V156 CarbonylContact O-C 3.56Å; V149-V156 VanDerWaalsContact O-CA 3.22Å; V149-V156 WeakPolarHBondContact O-CA 3.43Å; V149-R157 HydrophobicContact CB-CB 4.48Å; V149-R157 PolarHBondContact N-O 3.37Å; V149-R157 PolarHBondContact O-N 2.84Å; V149-L159 HydrophobicContact CG2-CD1 4.02Å; V149-L159 HydrophobicContact CG2-CG 4.28Å
150A98.8Very high96.8Very high0 Ų020.8 Ų20.80%012%0.122CC..EExtended strand (participates in β ladder)trans-108.2132.6176.400000109.8N136 S137 V156 V177 V180N136-A150 PolarHBondContact N-O 3.22Å; S137-A150 PolarHBondContact N-O 3.26Å; S137-A150 PolarHBondContact O-N 2.89Å; A150-V156 HydrophobicContact CB-CG2 4.25Å; A150-V177 HydrophobicContact CB-CB 3.87Å; A150-V177 HydrophobicContact CB-CG1 3.62Å; A150-V180 HydrophobicContact CB-CB 3.97Å; A150-V180 HydrophobicContact CB-CG1 3.82Å
151D98.6Very high96.8Very high0 Ų020.8 Ų20.80%012%0.122CC..EExtended strand (participates in β ladder)trans-132.2172-171.866.133.3000114.4E132 E134 S153 G154 V155 V177E132-D151 PolarHBondContact N-OD2 2.83Å; E134-D151 CarbonylContact O-C 3.58Å; E134-D151 WeakPolarHBondContact O-CA 3.4Å; E134-D151 WeakPolarHBondContact O-CB 3.42Å; D151-S153 VanDerWaalsContact C-N 3.27Å; D151-S153 PolarHBondContact O-N 3.26Å; D151-S153 WeakPolarHBondContact OD1-CB 3.3Å; D151-S153 PolarHBondContact OD1-N 2.8Å; D151-S153 VanDerWaalsContact OD1-N 3.16Å; D151-S153 PolarHBondContact OD1-OG 3.1Å; D151-G154 PolarHBondContact O-N 2.87Å; D151-V155 PolarHBondContact N-O 2.91Å; D151-V155 VanDerWaalsContact N-O 3.15Å; D151-V155 WeakPolarHBondContact OD1-CB 3.32Å; D151-V155 PolarHBondContact OD1-N 2.96Å; D151-V155 VanDerWaalsContact OD1-N 3.07Å; D151-V177 PolarHBondContact O-N 2.89Å
152D98.6Very high96.6Very high48 Ų4826 Ų2626%0.25716%0.156SC..THydrogen-bonded Turntrans-64.8-27.1-179.2-893000114E133 E134 N136 G154 I176E133-D152 HydrophobicContact CB-CB 3.92Å; E134-D152 HydrophobicContact CB-CB 4.37Å; E134-D152 PolarHBondContact O-N 2.93Å; N136-D152 PolarHBondContact ND2-N 2.77Å; N136-D152 PolarHBondContact ND2-OD1 2.85Å; N136-D152 PolarHBondContact OD1-OD1 2.87Å; D152-G154 PolarHBondContact O-N 2.89Å; D152-I176 HydrophobicContact CB-CG1 4.14Å; D152-I176 WeakPolarHBondContact O-CA 3.42Å; D152-I176 WeakPolarHBondContact O-CG1 3.49Å; D152-I176 WeakPolarHBondContact OD1-CG2 3.48Å
153S98.3Very high96.5Very high37 Ų3723.4 Ų23.426%0.25916%0.156SC..THydrogen-bonded Turntrans-70.1-3.9-179.8810000113.7E133 D151 V155E133-S153 PolarHBondContact OE2-N 2.98Å; D151-S153 VanDerWaalsContact C-N 3.27Å; D151-S153 PolarHBondContact O-N 3.26Å; D151-S153 WeakPolarHBondContact OD1-CB 3.3Å; D151-S153 PolarHBondContact OD1-N 2.8Å; D151-S153 VanDerWaalsContact OD1-N 3.16Å; D151-S153 PolarHBondContact OD1-OG 3.1Å; S153-V155 WeakPolarHBondContact OG-CB 3.25Å; S153-V155 WeakPolarHBondContact OG-CG2 3.36Å
154G98.1Very high96.6Very high2 Ų220.4 Ų20.42%0.02114%0.14CC..SBendtrans83.921.7-175.800000113.1D151 D152 N175D151-G154 PolarHBondContact O-N 2.87Å; D152-G154 PolarHBondContact O-N 2.89Å; G154-N175 WeakPolarHBondContact CA-O 3.32Å
155V98.3Very high96.8Very high3 Ų327.1 Ų27.12%0.01817%0.169CC..EExtended strand (participates in β ladder)trans-113.1143-174.5-178.10000111D151 S153 R157 T169 R171D151-V155 PolarHBondContact N-O 2.91Å; D151-V155 VanDerWaalsContact N-O 3.15Å; D151-V155 WeakPolarHBondContact OD1-CB 3.32Å; D151-V155 PolarHBondContact OD1-N 2.96Å; D151-V155 VanDerWaalsContact OD1-N 3.07Å; S153-V155 WeakPolarHBondContact OG-CB 3.25Å; S153-V155 WeakPolarHBondContact OG-CG2 3.36Å; V155-R157 HydrophobicContact CG1-CG 4.07Å; V155-T169 HydrophobicContact CG1-CG2 3.49Å; V155-T169 VanDerWaalsContact CG1-CG2 3.49Å; V155-R171 HydrophobicContact CG1-CG 4.44Å; V155-R171 HydrophobicContact CG2-CG 4.23Å
156V98.6Very high96.9Very high1 Ų127.6 Ų27.61%0.00617%0.17CC..EExtended strand (participates in β ladder)trans-112114.4162.4-179.20000109.5A148 V149 A150 L170 V177 V180 L190A148-V156 HydrophobicContact CB-CG1 4.43Å; V149-V156 CarbonylContact O-C 3.56Å; V149-V156 VanDerWaalsContact O-CA 3.22Å; V149-V156 WeakPolarHBondContact O-CA 3.43Å; A150-V156 HydrophobicContact CB-CG2 4.25Å; V156-L170 HydrophobicContact CB-CB 4.16Å; V156-L170 HydrophobicContact CB-CD1 4.29Å; V156-L170 HydrophobicContact CG1-CD1 4.22Å; V156-L170 PolarHBondContact N-O 2.9Å; V156-L170 WeakPolarHBondContact O-CB 3.22Å; V156-L170 PolarHBondContact O-N 3.07Å; V156-V177 HydrophobicContact CG2-CB 4.36Å; V156-V177 HydrophobicContact CG2-CG1 3.73Å; V156-V177 HydrophobicContact CG2-CG2 4.22Å; V156-V180 HydrophobicContact CG1-CG2 3.99Å; V156-L190 HydrophobicContact CG1-CD1 4.4Å
157R98.5Very high96.9Very high46 Ų4631.7 Ų31.717%0.17419%0.19CC..EExtended strand (participates in β ladder)trans-93143.2171-75.6177.9171.9-162.73.4110G129 A130 E132 A148 V149 V155 L159 V166 R168 T169G129-R157 PolarHBondContact O-NH1 2.91Å; A130-R157 WeakPolarHBondContact O-CD 3.49Å; E132-R157 VanDerWaalsContact CD-NH2 3.29Å; E132-R157 VanDerWaalsContact CG-CZ 3.47Å; E132-R157 IonicContact OE1-CZ 3.95Å; E132-R157 VanDerWaalsContact OE1-CZ 3.31Å; E132-R157 IonicContact OE1-NE 3.95Å; E132-R157 PolarHBondContact OE1-NE 2.81Å; E132-R157 IonicContact OE1-NH2 3.55Å; E132-R157 PolarHBondContact OE1-NH2 3.33Å; A148-R157 CarbonylContact C-O 3.1Å; A148-R157 WeakPolarHBondContact CA-O 3.39Å; V149-R157 HydrophobicContact CB-CB 4.48Å; V149-R157 PolarHBondContact N-O 3.37Å; V149-R157 PolarHBondContact O-N 2.84Å; V155-R157 HydrophobicContact CG1-CG 4.07Å; R157-L159 HydrophobicContact CB-CD2 4.5Å; R157-V166 HydrophobicContact CG-CG1 4.49Å; R157-R168 WeakPolarHBondContact CA-O 3.29Å; R157-T169 HydrophobicContact CG-CG2 4.2Å
158V98.3Very high96.8Very high1 Ų136.8 Ų36.81%0.00621%0.21CC..EExtended strand (participates in β ladder)trans-119112.8172.3-175.70000108.3A146 L147 N167 R168 L170 F182 L190 L204A146-V158 HydrophobicContact CB-CG1 4.09Å; L147-V158 CarbonylContact O-C 3.57Å; L147-V158 WeakPolarHBondContact O-CA 2.93Å; V158-N167 WeakPolarHBondContact O-CA 3.5Å; V158-N167 WeakPolarHBondContact O-CB 3.32Å; V158-N167 PolarHBondContact O-N 2.82Å; V158-R168 HydrophobicContact CB-CB 4.14Å; V158-R168 HydrophobicContact CG2-CB 4.37Å; V158-R168 PolarHBondContact N-O 2.72Å; V158-R168 PolarHBondContact O-N 3.31Å; V158-L170 HydrophobicContact CG2-CD1 4.44Å; V158-F182 HydrophobicContact CG1-CZ 4.17Å; V158-L190 HydrophobicContact CG2-CD2 3.7Å; V158-L204 HydrophobicContact CG1-CD1 4.12Å; V158-L204 HydrophobicContact CG2-CD2 3.86Å
159L98.2Very high96.8Very high1 Ų139.6 Ų39.61%0.00523%0.227CC..EExtended strand (participates in β ladder)trans-94.4139.2-179.4-49-179.1000110L127 A130 A146 L147 V149 R157 Q165 V166L127-L159 HydrophobicContact CB-CD1 4.43Å; L127-L159 HydrophobicContact CD1-CD1 4.02Å; A130-L159 HydrophobicContact CB-CD1 3.81Å; A146-L159 CarbonylContact C-O 3.49Å; A146-L159 WeakPolarHBondContact CA-O 3.25Å; L147-L159 HydrophobicContact CB-CB 4.41Å; L147-L159 HydrophobicContact CD2-CD1 4.4Å; L147-L159 PolarHBondContact N-O 2.87Å; L147-L159 PolarHBondContact O-N 3.07Å; V149-L159 HydrophobicContact CG2-CD1 4.02Å; V149-L159 HydrophobicContact CG2-CG 4.28Å; R157-L159 HydrophobicContact CB-CD2 4.5Å; L159-Q165 CarbonylContact C-O 3.52Å; L159-Q165 VanDerWaalsContact CA-O 3.28Å; L159-Q165 WeakPolarHBondContact CA-O 3.35Å; L159-V166 HydrophobicContact CD2-CB 4.16Å; L159-V166 HydrophobicContact CD2-CG2 3.53Å
160G96.4Very high96.7Very high12 Ų1239.9 Ų39.912%0.12423%0.228CC..EExtended strand (participates in β ladder)trans-81.8136.7166.400000110.6G164 Q165 N167G160-G164 WeakPolarHBondContact O-CA 3.43Å; G160-G164 PolarHBondContact O-N 3.25Å; G160-Q165 PolarHBondContact N-O 2.97Å; G160-Q165 PolarHBondContact O-N 3Å; G160-N167 WeakPolarHBondContact CA-ND2 3.01Å; G160-N167 PolarHBondContact N-ND2 3.03Å
161L95.1Very high96.6Very high24 Ų2446.6 Ų46.613%0.12625%0.254CS..THydrogen-bonded Turntrans-115.6146-179.9-63.6176.3000111.6Y105 L127 L140 S145 L147Y105-L161 HydrophobicContact CE1-CD1 3.89Å; Y105-L161 HydrophobicContact CE1-CD2 3.86Å; Y105-L161 HydrophobicContact CE2-CD1 4.28Å; Y105-L161 WeakPolarHBondContact OH-CD1 3.39Å; L127-L161 HydrophobicContact CD1-CD2 3.97Å; L140-L161 HydrophobicContact CD2-CD1 3.44Å; L140-L161 VanDerWaalsContact CD2-CD1 3.44Å; S145-L161 PolarHBondContact O-N 2.95Å; L147-L161 HydrophobicContact CB-CD1 3.91Å; L147-L161 HydrophobicContact CB-CG 4.28Å
162P91.3Very high96.5Very high117 Ų11752.9 Ų52.976%0.7628%0.277SS*.THydrogen-bonded Turncis-73.5169.9-7.133.1-36.4000112.5
163G88.9Confident96.5Very high46 Ų4651.3 Ų51.347%0.47427%0.268SS..THydrogen-bonded Turntrans98.5-12.6174.300000115.9E125 Q165E125-G163 WeakPolarHBondContact OE1-CA 3.46Å; E125-G163 PolarHBondContact OE1-N 3.41Å; G163-Q165 VanDerWaalsContact C-N 3.33Å; G163-Q165 PolarHBondContact O-N 3.26Å
164G94.4Very high96.5Very high14 Ų1455.3 Ų55.314%0.14429%0.291CS..THydrogen-bonded Turntrans65.923.5172.100000116.1G160 V166G160-G164 WeakPolarHBondContact O-CA 3.43Å; G160-G164 PolarHBondContact O-N 3.25Å; G164-V166 PolarHBondContact O-N 2.8Å
165Q96.1Very high96.5Very high152 Ų15258.8 Ų58.871%0.7131%0.309SS*.EExtended strand (participates in β ladder)trans-66.6128.8179.7-76.9-162.4-13.500111.7L159 G160 G163 N167L159-Q165 CarbonylContact C-O 3.52Å; L159-Q165 VanDerWaalsContact CA-O 3.28Å; L159-Q165 WeakPolarHBondContact CA-O 3.35Å; G160-Q165 PolarHBondContact N-O 2.97Å; G160-Q165 PolarHBondContact O-N 3Å; G163-Q165 VanDerWaalsContact C-N 3.33Å; G163-Q165 PolarHBondContact O-N 3.26Å; Q165-N167 PolarHBondContact O-N 3.34Å
166V97.3Very high96.5Very high67 Ų6760.6 Ų60.641%0.40632%0.318SS..EExtended strand (participates in β ladder)trans-67104.7177.1-175.40000110.2R157 L159 G164R157-V166 HydrophobicContact CG-CG1 4.49Å; L159-V166 HydrophobicContact CD2-CB 4.16Å; L159-V166 HydrophobicContact CD2-CG2 3.53Å; G164-V166 PolarHBondContact O-N 2.8Å
167N95.2Very high96.5Very high95 Ų9560.5 Ų60.551%0.50832%0.318SS..EExtended strand (participates in β ladder)trans-82.2-35.3176.4-74-27.6000111.9V158 G160 Q165V158-N167 WeakPolarHBondContact O-CA 3.5Å; V158-N167 WeakPolarHBondContact O-CB 3.32Å; V158-N167 PolarHBondContact O-N 2.82Å; G160-N167 WeakPolarHBondContact CA-ND2 3.01Å; G160-N167 PolarHBondContact N-ND2 3.03Å; Q165-N167 PolarHBondContact O-N 3.34Å
168R96.9Very high96.5Very high107 Ų10759.2 Ų59.240%0.40432%0.316SS..EExtended strand (participates in β ladder)trans-146.3149.8179.9-65-65-175.8174.3-0.1111.5R157 V158 L170 L204R157-R168 WeakPolarHBondContact CA-O 3.29Å; V158-R168 HydrophobicContact CB-CB 4.14Å; V158-R168 HydrophobicContact CG2-CB 4.37Å; V158-R168 PolarHBondContact N-O 2.72Å; V158-R168 PolarHBondContact O-N 3.31Å; R168-L170 HydrophobicContact CB-CD2 4.35Å; R168-L204 HydrophobicContact CG-CD2 4.39Å; R168-L204 VanDerWaalsContact CZ-O 3.23Å; R168-L204 PolarHBondContact NE-O 2.89Å; R168-L204 PolarHBondContact NH2-O 2.97Å
169T97.6Very high96.5Very high58 Ų5859.6 Ų59.636%0.35632%0.319SS..EExtended strand (participates in β ladder)trans-128.9115.1170-490000107.7V155 R157 R171V155-T169 HydrophobicContact CG1-CG2 3.49Å; V155-T169 VanDerWaalsContact CG1-CG2 3.49Å; R157-T169 HydrophobicContact CG-CG2 4.2Å; T169-R171 HydrophobicContact CG2-CG 3.96Å
170L97.9Very high96.6Very high7 Ų759.8 Ų59.84%0.03732%0.32CS..EExtended strand (participates in β ladder)trans-102.8101.5-173.8-52.3177.7000108.6V156 V158 R168 L190 W202 L204V156-L170 HydrophobicContact CB-CB 4.16Å; V156-L170 HydrophobicContact CB-CD1 4.29Å; V156-L170 HydrophobicContact CG1-CD1 4.22Å; V156-L170 PolarHBondContact N-O 2.9Å; V156-L170 WeakPolarHBondContact O-CB 3.22Å; V156-L170 PolarHBondContact O-N 3.07Å; V158-L170 HydrophobicContact CG2-CD1 4.44Å; R168-L170 HydrophobicContact CB-CD2 4.35Å; L170-L190 HydrophobicContact CD1-CD1 3.97Å; L170-L190 HydrophobicContact CD1-CD2 4.18Å; L170-L190 HydrophobicContact CD1-CG 4.43Å; L170-W202 HydrophobicContact CB-CD2 4.25Å; L170-W202 HydrophobicContact CB-CE3 4.08Å; L170-W202 HydrophobicContact CB-CH2 3.8Å; L170-W202 HydrophobicContact CB-CZ2 4.05Å; L170-W202 HydrophobicContact CB-CZ3 3.85Å; L170-W202 HydrophobicContact CD1-CB 4.07Å; L170-W202 HydrophobicContact CD1-CD2 3.8Å; L170-W202 HydrophobicContact CD1-CE3 4.07Å; L170-W202 HydrophobicContact CD1-CG 3.81Å; L170-W202 HydrophobicContact CD2-CD2 4.48Å; L170-W202 HydrophobicContact CD2-CE3 3.9Å; L170-W202 HydrophobicContact CD2-CZ3 4.13Å; L170-W202 HydrophobicContact CG-CD2 4.4Å; L170-W202 HydrophobicContact CG-CE3 4.24Å; L170-W202 HydrophobicContact CG-CZ3 4.43Å; L170-L204 HydrophobicContact CD1-CD2 4.35Å
171R95.8Very high96.7Very high141 Ų14159.9 Ų59.953%0.53232%0.32SS..EExtended strand (participates in β ladder)trans-109.897-175.1-59.3-171.9177.4-92.48111E132 V155 T169E132-R171 IonicContact OE1-CZ 3.15Å; E132-R171 VanDerWaalsContact OE1-CZ 3.29Å; E132-R171 IonicContact OE1-NH1 2.7Å; E132-R171 IonicContact OE1-NH2 2.75Å; E132-R171 PolarHBondContact OE1-NH2 3.2Å; E132-R171 IonicContact OE2-CZ 2.9Å; E132-R171 IonicContact OE2-NH1 3.05Å; E132-R171 PolarHBondContact OE2-NH1 3.22Å; E132-R171 IonicContact OE2-NH2 3.67Å; E132-R171 PolarHBondContact OE2-NH2 2.85Å; V155-R171 HydrophobicContact CG1-CG 4.44Å; V155-R171 HydrophobicContact CG2-CG 4.23Å; T169-R171 HydrophobicContact CG2-CG 3.96Å
172R97Very high96.8Very high132 Ų13259.6 Ų59.650%0.49832%0.318SS..  trans-148.7-27.7173.1-70.5-61.9-77.4174-1.8114.5M200 W202 P209R172-M200 HydrophobicContact CB-CE 3.79Å; R172-M200 HydrophobicContact CB-SD 3.66Å; R172-W202 HydrophobicContact CB-CH2 3.6Å; R172-W202 HydrophobicContact CB-CZ2 4.03Å; R172-W202 HydrophobicContact CG-CH2 3.42Å; R172-W202 VanDerWaalsContact CG-CH2 3.42Å; R172-W202 HydrophobicContact CG-CZ2 4.31Å; R172-W202 HydrophobicContact CG-CZ3 4.09Å; R172-P209 HydrophobicContact CG-CG 4.31Å
173H98.1Very high97Very high15 Ų1554.2 Ų54.27%0.06928%0.282CS..  trans-61.7141.6173.3-75.4-76.5000109.4V177 S192 D196 Q198H173-V177 HydrophobicContact CB-CG2 3.81Å; H173-S192 PolarHBondContact NE2-OG 3.48Å; H173-D196 WeakPolarHBondContact CA-OD2 3.42Å; H173-D196 WeakPolarHBondContact CB-OD2 3.44Å; H173-D196 IonicContact CE1-OD1 3.65Å; H173-D196 IonicContact CG-OD2 3.6Å; H173-D196 VanDerWaalsContact ND1-CG 3.29Å; H173-D196 IonicContact ND1-OD1 2.66Å; H173-D196 PolarHBondContact ND1-OD1 3.1Å; H173-D196 IonicContact ND1-OD2 3.76Å; H173-D196 PolarHBondContact ND1-OD2 3.06Å; H173-Q198 PolarHBondContact CE1-O 2.86Å
174T98.1Very high97.2Very high121 Ų12153 Ų5374%0.74227%0.266SS*.SBendtrans-101.74.1-179.158.10000112.7D196T174-D196 PolarHBondContact N-OD2 3.3Å; T174-D196 WeakPolarHBondContact OG1-CB 3.38Å
175N98.3Very high97.1Very high74 Ų7457.9 Ų57.940%0.39629%0.288SS..SBendtrans-152.7177.9179.3-158.2-3.9000108.3G154 V177 L195 D196G154-N175 WeakPolarHBondContact CA-O 3.32Å; N175-V177 PolarHBondContact O-N 2.88Å; N175-L195 HydrophobicContact CB-CB 4.45Å; N175-L195 PolarHBondContact ND2-O 2.57Å; N175-L195 VanDerWaalsContact ND2-O 3.13Å; N175-D196 HydrophobicContact CB-CB 3.85Å
176I98.6Very high96.9Very high41 Ų4155.8 Ų55.821%0.2127%0.273CS..  trans-41.1129.6178.7-63.5175.9000112.1N136 D152 G194 L195N136-I176 WeakPolarHBondContact ND2-CG2 3.48Å; D152-I176 HydrophobicContact CB-CG1 4.14Å; D152-I176 WeakPolarHBondContact O-CA 3.42Å; D152-I176 WeakPolarHBondContact O-CG1 3.49Å; D152-I176 WeakPolarHBondContact OD1-CG2 3.48Å; I176-G194 CarbonylContact O-C 3.57Å; I176-G194 WeakPolarHBondContact O-CA 3.16Å; I176-L195 HydrophobicContact CB-CB 4.39Å; I176-L195 HydrophobicContact CB-CD1 3.89Å; I176-L195 HydrophobicContact CB-CG 4.01Å; I176-L195 HydrophobicContact CD1-CD1 3.96Å; I176-L195 HydrophobicContact CG1-CD1 4.39Å; I176-L195 HydrophobicContact CG2-CD1 4.18Å; I176-L195 HydrophobicContact CG2-CG 4.27Å; I176-L195 PolarHBondContact O-N 3.36Å
177V98.8Very high96.4Very high0 Ų055 Ų550%027%0.27CS..  trans-89.8103.2168.5-165.90000108.3N136 A150 D151 V156 H173 N175 A193N136-V177 WeakPolarHBondContact CB-O 3.49Å; N136-V177 PolarHBondContact ND2-O 3.23Å; A150-V177 HydrophobicContact CB-CB 3.87Å; A150-V177 HydrophobicContact CB-CG1 3.62Å; D151-V177 PolarHBondContact O-N 2.89Å; V156-V177 HydrophobicContact CG2-CB 4.36Å; V156-V177 HydrophobicContact CG2-CG1 3.73Å; V156-V177 HydrophobicContact CG2-CG2 4.22Å; H173-V177 HydrophobicContact CB-CG2 3.81Å; N175-V177 PolarHBondContact O-N 2.88Å; V177-A193 CarbonylContact C-O 3.49Å; V177-A193 WeakPolarHBondContact CG1-O 3.34Å
178S98.6Very high96.2Very high19 Ų1954.3 Ų54.313%0.13327%0.266CS..  trans-76-29.6-176.1540000113S137 A193 A238 H239S137-S178 WeakPolarHBondContact CB-O 2.82Å; S178-A193 PolarHBondContact N-O 2.98Å; S178-A193 PolarHBondContact OG-O 2.84Å; S178-A238 WeakPolarHBondContact CB-O 3.48Å; S178-A238 PolarHBondContact OG-O 2.66Å; S178-H239 WeakPolarHBondContact CB-O 3.21Å; S178-H239 PolarHBondContact OG-O 3.22Å
179S98.8Very high96.1Very high9 Ų949.8 Ų49.86%0.06325%0.25CC..EExtended strand (participates in β ladder)trans-152.7144-172.4-172.70000113.7S192 A193 H239 V241S179-S192 WeakPolarHBondContact O-CA 3.39Å; S179-A193 PolarHBondContact N-O 2.8Å; S179-A193 PolarHBondContact O-N 3.24Å; S179-H239 WeakPolarHBondContact CB-O 3.43Å; S179-V241 WeakPolarHBondContact OG-CG2 3.46Å; S179-V241 PolarHBondContact OG-N 3.01Å
180V98.8Very high96.1Very high5 Ų547 Ų473%0.0323%0.233CC..EExtended strand (participates in β ladder)trans-137.4144174.464.80000110.8S137 A139 A148 A150 V156 L190 V191S137-V180 PolarHBondContact OG-N 2.91Å; A139-V180 HydrophobicContact CB-CG1 4.14Å; A139-V180 WeakPolarHBondContact CB-O 3.3Å; A148-V180 HydrophobicContact CB-CG1 4.1Å; A148-V180 HydrophobicContact CB-CG2 3.75Å; A150-V180 HydrophobicContact CB-CB 3.97Å; A150-V180 HydrophobicContact CB-CG1 3.82Å; V156-V180 HydrophobicContact CG1-CG2 3.99Å; V180-L190 HydrophobicContact CG2-CD1 3.94Å; V180-V191 CarbonylContact C-O 3.52Å; V180-V191 WeakPolarHBondContact CA-O 3.38Å; V180-V191 WeakPolarHBondContact CG2-O 3.42Å
181A98.4Very high96.1Very high14 Ų1446.7 Ų46.712%0.11623%0.231CC..EExtended strand (participates in β ladder)trans-144.5131.1175.400000111.1L190 V191 V241 V243A181-L190 CarbonylContact O-C 3.53Å; A181-L190 VanDerWaalsContact O-CA 3.28Å; A181-L190 WeakPolarHBondContact O-CA 3.44Å; A181-L190 WeakPolarHBondContact O-CB 3.28Å; A181-V191 PolarHBondContact N-O 3.15Å; A181-V191 PolarHBondContact O-N 2.76Å; A181-V241 HydrophobicContact CB-CG2 4.41Å; A181-V243 HydrophobicContact CB-CG2 4.03Å
182F97.8Very high96.3Very high18 Ų1840 Ų408%0.07921%0.206CC..EExtended strand (participates in β ladder)trans-67144.4167.4-85.5-78.6000110.6A139 N141 A146 A148 V158 P184 L190 L204A139-F182 HydrophobicContact CB-CD2 4.16Å; A139-F182 WeakPolarHBondContact O-CD2 3.28Å; A139-F182 VanDerWaalsContact O-CE2 3.23Å; A139-F182 WeakPolarHBondContact O-CE2 3.5Å; N141-F182 HydrophobicContact CB-CB 4.4Å; N141-F182 HydrophobicContact CB-CD1 3.82Å; N141-F182 HydrophobicContact CB-CD2 3.85Å; N141-F182 HydrophobicContact CB-CE1 3.97Å; N141-F182 HydrophobicContact CB-CE2 3.97Å; N141-F182 HydrophobicContact CB-CG 3.76Å; N141-F182 HydrophobicContact CB-CZ 4.04Å; N141-F182 VanDerWaalsContact N-CD2 3.28Å; A146-F182 HydrophobicContact CB-CZ 3.97Å; A148-F182 HydrophobicContact CB-CD2 4.25Å; A148-F182 HydrophobicContact CB-CE2 3.6Å; A148-F182 HydrophobicContact CB-CZ 4.07Å; V158-F182 HydrophobicContact CG1-CZ 4.17Å; F182-P184 WeakPolarHBondContact O-CD 3.39Å; F182-L190 HydrophobicContact CD1-CB 3.99Å; F182-L190 HydrophobicContact CE1-CB 4.28Å; F182-L190 HydrophobicContact CE1-CD2 4.06Å; F182-L190 HydrophobicContact CG-CB 4.39Å; F182-L190 HydrophobicContact CZ-CD2 4.22Å; F182-L204 HydrophobicContact CE1-CD1 4.26Å
183R96.1Very high96.4Very high4 Ų433.7 Ų33.72%0.01518%0.182CC..PPolyproline II helixtrans-83.2119.5176.5-177.6-178.5172-170.61.2109.6R186 N189 V243 G247 N248 S268R183-R186 HydrophobicContact CB-CB 4.36Å; R183-R186 HydrophobicContact CG-CB 4.11Å; R183-R186 CarbonylContact O-C 3.59Å; R183-R186 PolarHBondContact O-N 3.15Å; R183-N189 HydrophobicContact CB-CB 3.99Å; R183-N189 WeakPolarHBondContact CB-O 3.26Å; R183-N189 PolarHBondContact N-O 2.91Å; R183-N189 PolarHBondContact NH1-ND2 2.89Å; R183-V243 HydrophobicContact CG-CG1 4.31Å; R183-G247 WeakPolarHBondContact CD-O 3.39Å; R183-G247 WeakPolarHBondContact CG-O 3.3Å; R183-G247 PolarHBondContact NE-O 3.03Å; R183-G247 PolarHBondContact NH2-O 3.08Å; R183-N248 PolarHBondContact NH2-OD1 2.83Å; R183-S268 PolarHBondContact NH1-OG 3.14Å
184P93.4Very high96.4Very high20 Ų2033 Ų3313%0.1318%0.179CC..THydrogen-bonded Turntrans-54.8148.8175.2-28.437.6000112.9E142 F182 R186 V243E142-P184 WeakPolarHBondContact OE1-CA 3.43Å; E142-P184 VanDerWaalsContact OE1-CB 3.25Å; E142-P184 WeakPolarHBondContact OE1-CB 3.46Å; F182-P184 WeakPolarHBondContact O-CD 3.39Å; P184-R186 PolarHBondContact O-N 3.13Å; P184-V243 HydrophobicContact CG-CB 4.49Å; P184-V243 HydrophobicContact CG-CG1 4.26Å
185L91.3Very high96.4Very high117 Ų11729 Ų2961%0.61315%0.153SC*.THydrogen-bonded Turntrans61.45.5-178.1-47.2174.4000114.5E142E142-L185 VanDerWaalsContact CD-N 3.32Å; E142-L185 PolarHBondContact OE1-N 2.78Å; E142-L185 PolarHBondContact OE2-N 2.94Å; E142-L185 VanDerWaalsContact OE2-N 3.12Å
186R91.8Very high96.4Very high107 Ų10726 Ų2640%0.40414%0.137SC..  trans-144.271.7-175.8-65.3-61.5-122.1-79.9-0.6110.1R183 P184 N188 N189R183-R186 HydrophobicContact CB-CB 4.36Å; R183-R186 HydrophobicContact CG-CB 4.11Å; R183-R186 CarbonylContact O-C 3.59Å; R183-R186 PolarHBondContact O-N 3.15Å; P184-R186 PolarHBondContact O-N 3.13Å; R186-N188 PolarHBondContact O-N 2.98Å; R186-N189 HydrophobicContact CB-CB 4.18Å; R186-N189 PolarHBondContact O-N 2.62Å
187P86.1Confident96.4Very high52 Ų5226.2 Ų26.234%0.33814%0.138SC..THydrogen-bonded Turntrans-61.4-18.1-169.724.1-35.7000115
188N91.1Very high96.3Very high79 Ų7928.3 Ų28.342%0.42215%0.147SC..THydrogen-bonded Turntrans-939.6176.6-70-25.7000113.8R186 S203 L204R186-N188 PolarHBondContact O-N 2.98Å; N188-S203 CarbonylContact O-C 3.48Å; N188-S203 WeakPolarHBondContact O-CA 3.43Å; N188-L204 WeakPolarHBondContact O-CG 3.08Å; N188-L204 PolarHBondContact O-N 3.08Å
189N95.6Very high96.3Very high12 Ų1227.4 Ų27.46%0.06414%0.141CC..EExtended strand (participates in β ladder)trans-124.2140.9178.2-66.2-9.4000110R183 R186 W202 S203R183-N189 HydrophobicContact CB-CB 3.99Å; R183-N189 WeakPolarHBondContact CB-O 3.26Å; R183-N189 PolarHBondContact N-O 2.91Å; R183-N189 PolarHBondContact NH1-ND2 2.89Å; R186-N189 HydrophobicContact CB-CB 4.18Å; R186-N189 PolarHBondContact O-N 2.62Å; N189-W202 VanDerWaalsContact CA-O 3.26Å; N189-W202 WeakPolarHBondContact CA-O 3.45Å; N189-W202 WeakPolarHBondContact CB-O 3.18Å; N189-S203 PolarHBondContact OD1-OG 2.8Å
190L98Very high96.3Very high0 Ų027 Ų270%014%0.138CC..EExtended strand (participates in β ladder)trans-141.8160.317462.984.1000109.6A148 V156 V158 L170 V180 A181 F182 W202 L204A148-L190 HydrophobicContact CB-CD2 4.09Å; V156-L190 HydrophobicContact CG1-CD1 4.4Å; V158-L190 HydrophobicContact CG2-CD2 3.7Å; L170-L190 HydrophobicContact CD1-CD1 3.97Å; L170-L190 HydrophobicContact CD1-CD2 4.18Å; L170-L190 HydrophobicContact CD1-CG 4.43Å; V180-L190 HydrophobicContact CG2-CD1 3.94Å; A181-L190 CarbonylContact O-C 3.53Å; A181-L190 VanDerWaalsContact O-CA 3.28Å; A181-L190 WeakPolarHBondContact O-CA 3.44Å; A181-L190 WeakPolarHBondContact O-CB 3.28Å; F182-L190 HydrophobicContact CD1-CB 3.99Å; F182-L190 HydrophobicContact CE1-CB 4.28Å; F182-L190 HydrophobicContact CE1-CD2 4.06Å; F182-L190 HydrophobicContact CG-CB 4.39Å; F182-L190 HydrophobicContact CZ-CD2 4.22Å; L190-W202 HydrophobicContact CD1-CB 3.9Å; L190-W202 VanDerWaalsContact CD1-CD1 3.45Å; L190-W202 HydrophobicContact CD1-CG 3.88Å; L190-W202 HydrophobicContact CG-CB 4.1Å; L190-W202 PolarHBondContact N-O 3.25Å; L190-W202 PolarHBondContact O-N 3.26Å; L190-L204 HydrophobicContact CD2-CD2 3.91Å
191V98.6Very high96.3Very high1 Ų126.8 Ų26.81%0.00614%0.137CC..EExtended strand (participates in β ladder)trans-115.8137.6174.7-179.20000108.1V180 A181 V199 M200 L201 V241 V243 L250V180-V191 CarbonylContact C-O 3.52Å; V180-V191 WeakPolarHBondContact CA-O 3.38Å; V180-V191 WeakPolarHBondContact CG2-O 3.42Å; A181-V191 PolarHBondContact N-O 3.15Å; A181-V191 PolarHBondContact O-N 2.76Å; V191-V199 HydrophobicContact CG1-CG1 3.59Å; V191-M200 CarbonylContact C-O 3.58Å; V191-M200 VanDerWaalsContact CA-O 3.28Å; V191-M200 WeakPolarHBondContact CA-O 3.29Å; V191-L201 HydrophobicContact CG2-CD1 3.59Å; V191-V241 HydrophobicContact CG1-CB 4.4Å; V191-V241 HydrophobicContact CG1-CG1 4.26Å; V191-V241 HydrophobicContact CG1-CG2 4.47Å; V191-V243 HydrophobicContact CG2-CG2 4.38Å; V191-L250 HydrophobicContact CG1-CD1 4.43Å; V191-L250 HydrophobicContact CG2-CD1 3.87Å; V191-L250 HydrophobicContact CG2-CD2 3.96Å
192S98.8Very high96.3Very high0 Ų026.1 Ų26.10%013%0.131CC..EExtended strand (participates in β ladder)trans-124152.6171.364.20000110.6H173 S179 V199 M200 W202H173-S192 PolarHBondContact NE2-OG 3.48Å; S179-S192 WeakPolarHBondContact O-CA 3.39Å; S192-V199 CarbonylContact O-C 3.53Å; S192-V199 WeakPolarHBondContact O-CA 3.33Å; S192-M200 PolarHBondContact N-O 3.26Å; S192-M200 PolarHBondContact O-N 2.69Å; S192-W202 PolarHBondContact OG-NE1 2.87Å
193A98.7Very high96.2Very high0 Ų025.8 Ų25.80%013%0.131CC..EExtended strand (participates in β ladder)trans-137.3148.917500000110.3V177 S178 S179 Q198 V199 A238 V241V177-A193 CarbonylContact C-O 3.49Å; V177-A193 WeakPolarHBondContact CG1-O 3.34Å; S178-A193 PolarHBondContact N-O 2.98Å; S178-A193 PolarHBondContact OG-O 2.84Å; S179-A193 PolarHBondContact N-O 2.8Å; S179-A193 PolarHBondContact O-N 3.24Å; A193-Q198 WeakPolarHBondContact CA-O 3.37Å; A193-V199 HydrophobicContact CB-CG2 4.37Å; A193-A238 HydrophobicContact CB-CB 3.72Å; A193-V241 HydrophobicContact CB-CB 4.34Å; A193-V241 HydrophobicContact CB-CG1 3.31Å; A193-V241 HydrophobicContact CB-CG2 4.19Å
194G98.2Very high96.1Very high0 Ų026.7 Ų26.70%014%0.136CC..  trans-149.3172.5-178.500000115.1I176 D196 M197 Q198 A238I176-G194 CarbonylContact O-C 3.57Å; I176-G194 WeakPolarHBondContact O-CA 3.16Å; G194-D196 PolarHBondContact O-N 3.19Å; G194-D196 VanDerWaalsContact O-N 3.1Å; G194-M197 PolarHBondContact O-N 2.89Å; G194-Q198 PolarHBondContact N-O 2.97Å; G194-A238 CarbonylContact C-O 3.36Å; G194-A238 WeakPolarHBondContact O-CB 3.33Å; G194-A238 PolarHBondContact O-N 2.79Å
195L98.5Very high96.1Very high37 Ų3732.5 Ų32.519%0.19416%0.162CC..THydrogen-bonded Turntrans-74.47.3177.2-52.5-172.4000112.6N175 I176 L237N175-L195 HydrophobicContact CB-CB 4.45Å; N175-L195 PolarHBondContact ND2-O 2.57Å; N175-L195 VanDerWaalsContact ND2-O 3.13Å; I176-L195 HydrophobicContact CB-CB 4.39Å; I176-L195 HydrophobicContact CB-CD1 3.89Å; I176-L195 HydrophobicContact CB-CG 4.01Å; I176-L195 HydrophobicContact CD1-CD1 3.96Å; I176-L195 HydrophobicContact CG1-CD1 4.39Å; I176-L195 HydrophobicContact CG2-CD1 4.18Å; I176-L195 HydrophobicContact CG2-CG 4.27Å; I176-L195 PolarHBondContact O-N 3.36Å; L195-L237 HydrophobicContact CD2-CB 3.9Å; L195-L237 WeakPolarHBondContact O-CD2 3.43Å
196D98.3Very high96.2Very high11 Ų1132.5 Ų32.56%0.05916%0.157CC..THydrogen-bonded Turntrans-86.37.816462.6-0.9000112.4H173 T174 N175 G194 Q198H173-D196 WeakPolarHBondContact CA-OD2 3.42Å; H173-D196 WeakPolarHBondContact CB-OD2 3.44Å; H173-D196 IonicContact CE1-OD1 3.65Å; H173-D196 IonicContact CG-OD2 3.6Å; H173-D196 VanDerWaalsContact ND1-CG 3.29Å; H173-D196 IonicContact ND1-OD1 2.66Å; H173-D196 PolarHBondContact ND1-OD1 3.1Å; H173-D196 IonicContact ND1-OD2 3.76Å; H173-D196 PolarHBondContact ND1-OD2 3.06Å; T174-D196 PolarHBondContact N-OD2 3.3Å; T174-D196 WeakPolarHBondContact OG1-CB 3.38Å; N175-D196 HydrophobicContact CB-CB 3.85Å; G194-D196 PolarHBondContact O-N 3.19Å; G194-D196 VanDerWaalsContact O-N 3.1Å; D196-Q198 PolarHBondContact O-N 3.25Å; D196-Q198 WeakPolarHBondContact OD1-CB 3.43Å; D196-Q198 PolarHBondContact OD1-N 2.87Å; D196-Q198 VanDerWaalsContact OD1-N 3.08Å
197M98Very high96.1Very high46 Ų4633.2 Ų33.223%0.22717%0.173CC..SBendtrans65.119.6-178.9-49.6165.5-72.300112.6G194 L215 Q216 P235 P236 L237G194-M197 PolarHBondContact O-N 2.89Å; M197-L215 WeakPolarHBondContact O-CB 3.36Å; M197-L215 WeakPolarHBondContact O-CG 3.36Å; M197-L215 PolarHBondContact O-N 2.88Å; M197-Q216 HydrophobicContact CE-CB 4.3Å; M197-Q216 HydrophobicContact SD-CB 3.84Å; M197-Q216 HydrophobicContact SD-CG 4.35Å; M197-P235 HydrophobicContact SD-CB 3.87Å; M197-P236 HydrophobicContact CB-CG 4.5Å; M197-P236 HydrophobicContact CG-CG 4.46Å; M197-P236 HydrophobicContact SD-CG 4.45Å; M197-L237 HydrophobicContact CG-CD2 3.88Å
198Q98.3Very high96.5Very high44 Ų4439.2 Ų39.221%0.20619%0.189CC..EExtended strand (participates in β ladder)trans-105.8141.8-178.9-57.5-166.9-300111.8H173 A193 G194 D196 M200 T212 L213H173-Q198 PolarHBondContact CE1-O 2.86Å; A193-Q198 WeakPolarHBondContact CA-O 3.37Å; G194-Q198 PolarHBondContact N-O 2.97Å; D196-Q198 PolarHBondContact O-N 3.25Å; D196-Q198 WeakPolarHBondContact OD1-CB 3.43Å; D196-Q198 PolarHBondContact OD1-N 2.87Å; D196-Q198 VanDerWaalsContact OD1-N 3.08Å; Q198-M200 HydrophobicContact CB-CE 4.09Å; Q198-T212 HydrophobicContact CB-CG2 4.16Å; Q198-T212 HydrophobicContact CG-CG2 4.27Å; Q198-L213 CarbonylContact C-O 3.57Å; Q198-L213 VanDerWaalsContact CA-O 3.3Å; Q198-L213 WeakPolarHBondContact CA-O 3.38Å
199V98.7Very high96.8Very high0 Ų036.5 Ų36.50%018%0.176CC..EExtended strand (participates in β ladder)trans-113.8129.3163.4-173.90000108.3V191 S192 A193 W211 T212 L213 L215 V241 C252 M262V191-V199 HydrophobicContact CG1-CG1 3.59Å; S192-V199 CarbonylContact O-C 3.53Å; S192-V199 WeakPolarHBondContact O-CA 3.33Å; A193-V199 HydrophobicContact CB-CG2 4.37Å; V199-W211 HydrophobicContact CG1-CH2 4.38Å; V199-W211 HydrophobicContact CG1-CZ3 4.26Å; V199-W211 WeakPolarHBondContact O-CZ3 3.45Å; V199-T212 WeakPolarHBondContact O-CA 3.21Å; V199-L213 PolarHBondContact N-O 3.29Å; V199-L213 PolarHBondContact O-N 2.92Å; V199-L215 HydrophobicContact CG2-CD1 4.18Å; V199-L215 HydrophobicContact CG2-CD2 4.11Å; V199-L215 HydrophobicContact CG2-CG 4.27Å; V199-V241 HydrophobicContact CG1-CG1 4.29Å; V199-C252 HydrophobicContact CG2-CB 4.01Å; V199-C252 VanDerWaalsContact CG2-SG 3.58Å; V199-M262 HydrophobicContact CB-CE 4.12Å; V199-M262 HydrophobicContact CG1-CE 3.67Å; V199-M262 HydrophobicContact CG2-CE 4.11Å
200M98.6Very high96.8Very high1 Ų137.9 Ų37.91%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-124131.1-177-60.8-169.9-168.900111.1R172 V191 S192 Q198 W202 P209 T212R172-M200 HydrophobicContact CB-CE 3.79Å; R172-M200 HydrophobicContact CB-SD 3.66Å; V191-M200 CarbonylContact C-O 3.58Å; V191-M200 VanDerWaalsContact CA-O 3.28Å; V191-M200 WeakPolarHBondContact CA-O 3.29Å; S192-M200 PolarHBondContact N-O 3.26Å; S192-M200 PolarHBondContact O-N 2.69Å; Q198-M200 HydrophobicContact CB-CE 4.09Å; M200-W202 HydrophobicContact CB-CZ2 4.2Å; M200-W202 HydrophobicContact SD-CH2 4.17Å; M200-W202 HydrophobicContact SD-CZ2 3.45Å; M200-W202 WeakPolarHBondContact SD-CZ2 3.46Å; M200-P209 HydrophobicContact CB-CB 4.2Å; M200-P209 HydrophobicContact SD-CB 4.37Å; M200-P209 HydrophobicContact SD-CG 4.19Å; M200-T212 HydrophobicContact CE-CG2 4.04Å; M200-T212 HydrophobicContact CG-CG2 4.03Å
201L98.4Very high96.8Very high0 Ų039.2 Ų39.20%019%0.19CC..EExtended strand (participates in β ladder)trans-94.5128.7165.6179.371.4000109.7V191 P209 V210 W211 V264 S268V191-L201 HydrophobicContact CG2-CD1 3.59Å; L201-P209 CarbonylContact O-C 3.55Å; L201-P209 WeakPolarHBondContact O-CA 3.43Å; L201-V210 HydrophobicContact CD2-CB 4.29Å; L201-V210 HydrophobicContact CD2-CG1 4.43Å; L201-V210 HydrophobicContact CG-CB 4.35Å; L201-V210 WeakPolarHBondContact O-CB 3.37Å; L201-V210 PolarHBondContact O-N 3.04Å; L201-W211 HydrophobicContact CB-CD2 3.75Å; L201-W211 HydrophobicContact CB-CE3 4.27Å; L201-W211 HydrophobicContact CB-CG 4.27Å; L201-W211 HydrophobicContact CB-CH2 3.93Å; L201-W211 HydrophobicContact CB-CZ2 3.38Å; L201-W211 HydrophobicContact CB-CZ3 4.35Å; L201-W211 HydrophobicContact CD2-CZ2 4.06Å; L201-W211 HydrophobicContact CG-CZ2 4.24Å; L201-W211 PolarHBondContact N-O 3.41Å; L201-W211 VanDerWaalsContact N-O 3.1Å; L201-V264 HydrophobicContact CD2-CG1 4.05Å; L201-V264 HydrophobicContact CD2-CG2 4.45Å; L201-S268 WeakPolarHBondContact CD2-O 3.5Å
202W98.1Very high96.8Very high0 Ų042.1 Ų42.10%021%0.207CC..EExtended strand (participates in β ladder)trans-109.8152.3179.8-58.688.9000111.5L170 R172 N189 L190 S192 M200 P209L170-W202 HydrophobicContact CB-CD2 4.25Å; L170-W202 HydrophobicContact CB-CE3 4.08Å; L170-W202 HydrophobicContact CB-CH2 3.8Å; L170-W202 HydrophobicContact CB-CZ2 4.05Å; L170-W202 HydrophobicContact CB-CZ3 3.85Å; L170-W202 HydrophobicContact CD1-CB 4.07Å; L170-W202 HydrophobicContact CD1-CD2 3.8Å; L170-W202 HydrophobicContact CD1-CE3 4.07Å; L170-W202 HydrophobicContact CD1-CG 3.81Å; L170-W202 HydrophobicContact CD2-CD2 4.48Å; L170-W202 HydrophobicContact CD2-CE3 3.9Å; L170-W202 HydrophobicContact CD2-CZ3 4.13Å; L170-W202 HydrophobicContact CG-CD2 4.4Å; L170-W202 HydrophobicContact CG-CE3 4.24Å; L170-W202 HydrophobicContact CG-CZ3 4.43Å; R172-W202 HydrophobicContact CB-CH2 3.6Å; R172-W202 HydrophobicContact CB-CZ2 4.03Å; R172-W202 HydrophobicContact CG-CH2 3.42Å; R172-W202 VanDerWaalsContact CG-CH2 3.42Å; R172-W202 HydrophobicContact CG-CZ2 4.31Å; R172-W202 HydrophobicContact CG-CZ3 4.09Å; N189-W202 VanDerWaalsContact CA-O 3.26Å; N189-W202 WeakPolarHBondContact CA-O 3.45Å; N189-W202 WeakPolarHBondContact CB-O 3.18Å; L190-W202 HydrophobicContact CD1-CB 3.9Å; L190-W202 VanDerWaalsContact CD1-CD1 3.45Å; L190-W202 HydrophobicContact CD1-CG 3.88Å; L190-W202 HydrophobicContact CG-CB 4.1Å; L190-W202 PolarHBondContact N-O 3.25Å; L190-W202 PolarHBondContact O-N 3.26Å; S192-W202 PolarHBondContact OG-NE1 2.87Å; M200-W202 HydrophobicContact CB-CZ2 4.2Å; M200-W202 HydrophobicContact SD-CH2 4.17Å; M200-W202 HydrophobicContact SD-CZ2 3.45Å; M200-W202 WeakPolarHBondContact SD-CZ2 3.46Å; W202-P209 HydrophobicContact CD2-CB 4.07Å; W202-P209 HydrophobicContact CE3-CB 3.97Å; W202-P209 HydrophobicContact CH2-CB 4.4Å; W202-P209 HydrophobicContact CH2-CG 4.39Å; W202-P209 HydrophobicContact CZ2-CB 4.42Å; W202-P209 HydrophobicContact CZ3-CB 4.15Å; W202-P209 HydrophobicContact CZ3-CG 4.31Å
203S95.9Very high96.7Very high11 Ų1142.9 Ų42.98%0.07721%0.211CC..EExtended strand (participates in β ladder)trans-123.3124.4161.8179.60000107N188 N189 Q205 K206N188-S203 CarbonylContact O-C 3.48Å; N188-S203 WeakPolarHBondContact O-CA 3.43Å; N189-S203 PolarHBondContact OD1-OG 2.8Å; S203-Q205 PolarHBondContact O-N 2.97Å; S203-K206 PolarHBondContact O-N 2.95Å
204L94.7Very high96.7Very high22 Ų2244.4 Ų44.412%0.11522%0.219CC..THydrogen-bonded Turntrans-65.3-5.5-178.7-57.6-175.2000113.4V158 R168 L170 F182 N188 L190V158-L204 HydrophobicContact CG1-CD1 4.12Å; V158-L204 HydrophobicContact CG2-CD2 3.86Å; R168-L204 HydrophobicContact CG-CD2 4.39Å; R168-L204 VanDerWaalsContact CZ-O 3.23Å; R168-L204 PolarHBondContact NE-O 2.89Å; R168-L204 PolarHBondContact NH2-O 2.97Å; L170-L204 HydrophobicContact CD1-CD2 4.35Å; F182-L204 HydrophobicContact CE1-CD1 4.26Å; N188-L204 WeakPolarHBondContact O-CG 3.08Å; N188-L204 PolarHBondContact O-N 3.08Å; L190-L204 HydrophobicContact CD2-CD2 3.91Å
205Q93.5Very high96.5Very high143 Ų14344.4 Ų44.467%0.66822%0.219SC*.THydrogen-bonded Turntrans-89.5-12.5172.7-62.6-179.8-19.500112.9S203S203-Q205 PolarHBondContact O-N 2.97Å
206K92.8Very high96.3Very high116 Ų11644.9 Ų44.950%0.50422%0.221SC..  trans-116.3152.1-177.2-61.7-177.3-177.71790110.2S203S203-K206 PolarHBondContact O-N 2.95Å
207T89.4Confident96Very high123 Ų12349.6 Ų49.676%0.75524%0.242SC*.SBendtrans-84.2-24.2177.253.10000113.1
208R94.1Very high95.6Very high178 Ų17847.8 Ų47.867%0.67223%0.234SC*.SBendtrans-108.4153.5178.5-66.7-173.1-179.5-150-0110.1
209P96.9Very high95Very high22 Ų2245.9 Ų45.914%0.14323%0.225CC..  trans-57.7146.1170.925.7-33.9000109.4R172 M200 L201 W202 W211 T212R172-P209 HydrophobicContact CG-CG 4.31Å; M200-P209 HydrophobicContact CB-CB 4.2Å; M200-P209 HydrophobicContact SD-CB 4.37Å; M200-P209 HydrophobicContact SD-CG 4.19Å; L201-P209 CarbonylContact O-C 3.55Å; L201-P209 WeakPolarHBondContact O-CA 3.43Å; W202-P209 HydrophobicContact CD2-CB 4.07Å; W202-P209 HydrophobicContact CE3-CB 3.97Å; W202-P209 HydrophobicContact CH2-CB 4.4Å; W202-P209 HydrophobicContact CH2-CG 4.39Å; W202-P209 HydrophobicContact CZ2-CB 4.42Å; W202-P209 HydrophobicContact CZ3-CB 4.15Å; W202-P209 HydrophobicContact CZ3-CG 4.31Å; P209-W211 VanDerWaalsContact C-N 3.26Å; P209-T212 WeakPolarHBondContact CG-OG1 3.07Å
210V96.9Very high94.3Very high40 Ų4049.4 Ų49.424%0.24224%0.242CC..SBendtrans-62.5-40.9174.5-178.10000109.8L201 S268L201-V210 HydrophobicContact CD2-CB 4.29Å; L201-V210 HydrophobicContact CD2-CG1 4.43Å; L201-V210 HydrophobicContact CG-CB 4.35Å; L201-V210 WeakPolarHBondContact O-CB 3.37Å; L201-V210 PolarHBondContact O-N 3.04Å; V210-S268 WeakPolarHBondContact CG1-O 3.28Å
211W97.7Very high93.6Very high29 Ų2953.8 Ų53.811%0.1126%0.263CS..EExtended strand (participates in β ladder)trans-154.8160.4168.751-103.2000109.9V199 L201 P209 L213 L250 V264 S268 L270V199-W211 HydrophobicContact CG1-CH2 4.38Å; V199-W211 HydrophobicContact CG1-CZ3 4.26Å; V199-W211 WeakPolarHBondContact O-CZ3 3.45Å; L201-W211 HydrophobicContact CB-CD2 3.75Å; L201-W211 HydrophobicContact CB-CE3 4.27Å; L201-W211 HydrophobicContact CB-CG 4.27Å; L201-W211 HydrophobicContact CB-CH2 3.93Å; L201-W211 HydrophobicContact CB-CZ2 3.38Å; L201-W211 HydrophobicContact CB-CZ3 4.35Å; L201-W211 HydrophobicContact CD2-CZ2 4.06Å; L201-W211 HydrophobicContact CG-CZ2 4.24Å; L201-W211 PolarHBondContact N-O 3.41Å; L201-W211 VanDerWaalsContact N-O 3.1Å; P209-W211 VanDerWaalsContact C-N 3.26Å; W211-L213 HydrophobicContact CE3-CB 4.33Å; W211-L213 HydrophobicContact CZ3-CB 4.15Å; W211-L250 HydrophobicContact CH2-CD1 3.71Å; W211-L250 HydrophobicContact CZ2-CD1 3.77Å; W211-V264 HydrophobicContact CZ2-CG2 3.9Å; W211-S268 PolarHBondContact NE1-O 3.2Å; W211-L270 HydrophobicContact CD2-CB 4.19Å; W211-L270 HydrophobicContact CG-CB 4.2Å; W211-L270 HydrophobicContact CZ2-CD1 4.46Å
212T97.8Very high92.5Very high61 Ų6155.4 Ų55.437%0.37427%0.27SS..EExtended strand (participates in β ladder)trans-128.3132.8174.2-62.10000107Q198 V199 M200 P209Q198-T212 HydrophobicContact CB-CG2 4.16Å; Q198-T212 HydrophobicContact CG-CG2 4.27Å; V199-T212 WeakPolarHBondContact O-CA 3.21Å; M200-T212 HydrophobicContact CE-CG2 4.04Å; M200-T212 HydrophobicContact CG-CG2 4.03Å; P209-T212 WeakPolarHBondContact CG-OG1 3.07Å
213L97.8Very high91.5Very high16 Ų1657.7 Ų57.78%0.08428%0.281CS..EExtended strand (participates in β ladder)trans-116.1124174.8179.562.5000108.9Q198 V199 W211 L215 V218 M262 L270Q198-L213 CarbonylContact C-O 3.57Å; Q198-L213 VanDerWaalsContact CA-O 3.3Å; Q198-L213 WeakPolarHBondContact CA-O 3.38Å; V199-L213 PolarHBondContact N-O 3.29Å; V199-L213 PolarHBondContact O-N 2.92Å; W211-L213 HydrophobicContact CE3-CB 4.33Å; W211-L213 HydrophobicContact CZ3-CB 4.15Å; L213-L215 HydrophobicContact CD2-CD2 4.13Å; L213-L215 HydrophobicContact CG-CD2 4.33Å; L213-V218 HydrophobicContact CD1-CG2 3.62Å; L213-V218 HydrophobicContact CG-CG2 4.2Å; L213-M262 HydrophobicContact CD2-CG 3.74Å; L213-M262 HydrophobicContact CD2-SD 4.16Å; L213-L270 HydrophobicContact CB-CD2 4.47Å; L213-L270 HydrophobicContact CD1-CD2 4.21Å; L213-L270 HydrophobicContact CD2-CD2 4.35Å
214N97.3Very high90.5Very high32 Ų3264.1 Ų64.117%0.17130%0.303CS..EExtended strand (participates in β ladder)trans-94.5112174.4-177-16.8000109.3Q216 E217 V218N214-Q216 VanDerWaalsContact C-N 3.26Å; N214-Q216 PolarHBondContact O-N 2.77Å; N214-Q216 WeakPolarHBondContact OD1-CB 3.38Å; N214-Q216 PolarHBondContact OD1-N 3.44Å; N214-E217 HydrophobicContact CB-CB 4.21Å; N214-E217 HydrophobicContact CB-CG 4.02Å; N214-E217 PolarHBondContact ND2-OE1 2.91Å; N214-E217 PolarHBondContact O-N 3.26Å; N214-V218 WeakPolarHBondContact O-CG2 3.05Å; N214-V218 PolarHBondContact O-N 3.08Å
215L95.7Very high89.2Confident0 Ų070.5 Ų70.50%033%0.332CS..Hα-helixtrans-66-29.8-175.3-58.9-176.9000112.5M197 V199 L213 V218 A219 P236 A238 A254 H260M197-L215 WeakPolarHBondContact O-CB 3.36Å; M197-L215 WeakPolarHBondContact O-CG 3.36Å; M197-L215 PolarHBondContact O-N 2.88Å; V199-L215 HydrophobicContact CG2-CD1 4.18Å; V199-L215 HydrophobicContact CG2-CD2 4.11Å; V199-L215 HydrophobicContact CG2-CG 4.27Å; L213-L215 HydrophobicContact CD2-CD2 4.13Å; L213-L215 HydrophobicContact CG-CD2 4.33Å; L215-V218 PolarHBondContact O-N 2.83Å; L215-A219 PolarHBondContact O-N 2.81Å; L215-P236 HydrophobicContact CB-CB 3.86Å; L215-P236 HydrophobicContact CB-CG 3.74Å; L215-A238 HydrophobicContact CD1-CB 3.99Å; L215-A254 HydrophobicContact CD1-CB 4.27Å; L215-H260 HydrophobicContact CD2-CB 4.01Å
216Q93.6Very high87.8Confident47 Ų4767.8 Ų67.822%0.2232%0.32CS..Hα-helixtrans-64.6-44.1175.9-178.262.539.500111.1M197 N214 V218 A219 E220 P236M197-Q216 HydrophobicContact CE-CB 4.3Å; M197-Q216 HydrophobicContact SD-CB 3.84Å; M197-Q216 HydrophobicContact SD-CG 4.35Å; N214-Q216 VanDerWaalsContact C-N 3.26Å; N214-Q216 PolarHBondContact O-N 2.77Å; N214-Q216 WeakPolarHBondContact OD1-CB 3.38Å; N214-Q216 PolarHBondContact OD1-N 3.44Å; Q216-V218 VanDerWaalsContact C-N 3.3Å; Q216-V218 PolarHBondContact O-N 3.45Å; Q216-A219 PolarHBondContact O-N 3.2Å; Q216-E220 WeakPolarHBondContact CG-OE1 3.39Å; Q216-E220 PolarHBondContact NE2-OE1 2.87Å; Q216-E220 WeakPolarHBondContact O-CG 3.18Å; Q216-E220 PolarHBondContact O-N 3.22Å; Q216-P236 HydrophobicContact CB-CG 4.22Å
217E91.6Very high86.4Confident111 Ų11170.8 Ų70.852%0.51934%0.335SS..Hα-helixtrans-62.2-39.5177.1-70.1169.8-151.400111.3N214 E221N214-E217 HydrophobicContact CB-CB 4.21Å; N214-E217 HydrophobicContact CB-CG 4.02Å; N214-E217 PolarHBondContact ND2-OE1 2.91Å; N214-E217 PolarHBondContact O-N 3.26Å; E217-E221 WeakPolarHBondContact O-CG 3.32Å; E217-E221 PolarHBondContact O-N 3.01Å
218V89.3Confident84.9Confident7 Ų772 Ų724%0.04233%0.33CS..Hα-helixtrans-63.1-47.7175.4-178.60000111.4L213 N214 L215 Q216 E220 E221 E222L213-V218 HydrophobicContact CD1-CG2 3.62Å; L213-V218 HydrophobicContact CG-CG2 4.2Å; N214-V218 WeakPolarHBondContact O-CG2 3.05Å; N214-V218 PolarHBondContact O-N 3.08Å; L215-V218 PolarHBondContact O-N 2.83Å; Q216-V218 VanDerWaalsContact C-N 3.3Å; Q216-V218 PolarHBondContact O-N 3.45Å; V218-E220 VanDerWaalsContact C-N 3.34Å; V218-E220 PolarHBondContact O-N 3.03Å; V218-E221 PolarHBondContact O-N 3.45Å; V218-E222 WeakPolarHBondContact O-CG 3.09Å; V218-E222 PolarHBondContact O-N 3.24Å; V218-E222 VanDerWaalsContact O-N 3.13Å
219A85.8Confident82.7Confident4 Ų468.5 Ų68.53%0.03334%0.339CS..Hα-helixtrans-61-43.9179.900000111.7L215 Q216 E221 E222 E223L215-A219 PolarHBondContact O-N 2.81Å; Q216-A219 PolarHBondContact O-N 3.2Å; A219-E221 PolarHBondContact O-N 3.04Å; A219-E222 PolarHBondContact O-N 2.83Å; A219-E223 WeakPolarHBondContact O-CG 3.44Å; A219-E223 PolarHBondContact O-N 2.95Å
220E85.1Confident80.5Confident75 Ų7571 Ų7135%0.3537%0.369SS..Hα-helixtrans-66.3-36.6178.3-71.3176.1-168.800113.3Q216 V218 R224Q216-E220 WeakPolarHBondContact CG-OE1 3.39Å; Q216-E220 PolarHBondContact NE2-OE1 2.87Å; Q216-E220 WeakPolarHBondContact O-CG 3.18Å; Q216-E220 PolarHBondContact O-N 3.22Å; V218-E220 VanDerWaalsContact C-N 3.34Å; V218-E220 PolarHBondContact O-N 3.03Å; E220-R224 WeakPolarHBondContact O-CG 3.4Å; E220-R224 PolarHBondContact O-N 3.29Å; E220-R224 IonicContact OE2-NH1 2.63Å
221E82.8Confident78.4Confident93 Ų9377 Ų7744%0.43539%0.394SS..Hα-helixtrans-61.2-47173.5-78.7-179173.400111.2E217 V218 A219 E223 R224 H225E217-E221 WeakPolarHBondContact O-CG 3.32Å; E217-E221 PolarHBondContact O-N 3.01Å; V218-E221 PolarHBondContact O-N 3.45Å; A219-E221 PolarHBondContact O-N 3.04Å; E221-E223 PolarHBondContact O-N 3.28Å; E221-R224 PolarHBondContact O-N 2.8Å; E221-H225 PolarHBondContact O-CD2 2.86Å; E221-H225 PolarHBondContact O-N 2.82Å; E221-H225 VanDerWaalsContact O-N 3.13Å
222E76.5Confident76.1Confident34 Ų3484.4 Ų84.416%0.15944%0.435CS..Hα-helixtrans-62.7-39.3178.5-70-178.617600112.7V218 A219 H225 Q226 R258V218-E222 WeakPolarHBondContact O-CG 3.09Å; V218-E222 PolarHBondContact O-N 3.24Å; V218-E222 VanDerWaalsContact O-N 3.13Å; A219-E222 PolarHBondContact O-N 2.83Å; E222-H225 PolarHBondContact O-N 2.84Å; E222-Q226 VanDerWaalsContact O-CG 3.32Å; E222-Q226 WeakPolarHBondContact O-CG 3.49Å; E222-Q226 PolarHBondContact O-N 3.13Å; E222-R258 IonicContact OE2-CZ 3.27Å; E222-R258 IonicContact OE2-NH1 3.02Å; E222-R258 PolarHBondContact OE2-NH1 2.87Å
223E75.9Confident74.5Confident47 Ų4785.8 Ų85.822%0.2244%0.436CS..Hα-helixtrans-67.6-42.1177.4-76.6175.6-157.800113.1A219 E221 H225 Q226 H227 F233A219-E223 WeakPolarHBondContact O-CG 3.44Å; A219-E223 PolarHBondContact O-N 2.95Å; E221-E223 PolarHBondContact O-N 3.28Å; E223-H225 PolarHBondContact O-N 3.17Å; E223-Q226 CarbonylContact O-C 3.54Å; E223-Q226 PolarHBondContact O-N 3.1Å; E223-H227 PolarHBondContact O-N 3.35Å; E223-H227 VanDerWaalsContact O-N 3.16Å; E223-F233 WeakPolarHBondContact OE1-CD2 3.35Å; E223-F233 WeakPolarHBondContact OE1-CE2 3.23Å; E223-F233 WeakPolarHBondContact OE1-CZ 3.37Å
224R74.8Confident73.8Confident147 Ų14788.7 Ų88.756%0.55545%0.452SS*.Hα-helixtrans-58-38.9173.9-77.1-171.6-65.2-98.46.5111.1E220 E221 Q226E220-R224 WeakPolarHBondContact O-CG 3.4Å; E220-R224 PolarHBondContact O-N 3.29Å; E220-R224 IonicContact OE2-NH1 2.63Å; E221-R224 PolarHBondContact O-N 2.8Å; R224-Q226 VanDerWaalsContact C-N 3.35Å
225H68.4Low73.4Confident155 Ų15589.5 Ų89.572%0.71846%0.459SS*.Hα-helixtrans-69.9-30175.3-72.4-55.5000113.3E221 E222 E223E221-H225 PolarHBondContact O-CD2 2.86Å; E221-H225 PolarHBondContact O-N 2.82Å; E221-H225 VanDerWaalsContact O-N 3.13Å; E222-H225 PolarHBondContact O-N 2.84Å; E223-H225 PolarHBondContact O-N 3.17Å
226Q64.9Low73.4Confident87 Ų8789.6 Ų89.641%0.40746%0.459SS..Hα-helixtrans-87.60.7-179.4-70179.330.200114.6E222 E223 R224 K228E222-Q226 VanDerWaalsContact O-CG 3.32Å; E222-Q226 WeakPolarHBondContact O-CG 3.49Å; E222-Q226 PolarHBondContact O-N 3.13Å; E223-Q226 CarbonylContact O-C 3.54Å; E223-Q226 PolarHBondContact O-N 3.1Å; R224-Q226 VanDerWaalsContact C-N 3.35Å; Q226-K228 PolarHBondContact O-N 2.74Å
227H61.8Low73.6Confident178 Ų17889.5 Ų89.582%0.82446%0.46SS*.THydrogen-bonded Turntrans49.830.2-178.6-69.3-71.4000114.1E223E223-H227 PolarHBondContact O-N 3.35Å; E223-H227 VanDerWaalsContact O-N 3.16Å
228K58.6Low73.9Confident149 Ų14984.2 Ų84.265%0.64844%0.435SS*.  trans-95.9104.2175.6-74.8179.4-179.2170.30108.8Q226Q226-K228 PolarHBondContact O-N 2.74Å
229A46.9Very low74.4Confident105 Ų10586.5 Ų86.587%0.86845%0.446SS*.  trans-92123.917200000109.8
230G51.9Low75Confident75 Ų7586.6 Ų86.677%0.77345%0.446SS*.  trans96.986.2162.400000115.1
231Q52.1Low75.6Confident164 Ų16483.3 Ų83.377%0.76643%0.431SS*.  trans-152.2132.8142.7-111.1166.8-3.100107.6F233Q231-F233 WeakPolarHBondContact O-CD2 3.45Å; Q231-F233 PolarHBondContact O-N 2.78Å
232L49.8Very low76.3Confident186 Ų18679.6 Ų79.697%0.97442%0.415SS*.  trans-61.199.7171.3-86.4122.7000107.4
233F64.6Low77.3Confident90 Ų9078.7 Ų78.740%0.39541%0.412SS..PPolyproline II helixtrans-72.8135.5178.5-99.2-91.7000109.6E223 Q231E223-F233 WeakPolarHBondContact OE1-CD2 3.35Å; E223-F233 WeakPolarHBondContact OE1-CE2 3.23Å; E223-F233 WeakPolarHBondContact OE1-CZ 3.37Å; Q231-F233 WeakPolarHBondContact O-CD2 3.45Å; Q231-F233 PolarHBondContact O-N 2.78Å
234N81.5Confident78.3Confident76 Ų7676.5 Ų76.541%0.40640%0.402SS..PPolyproline II helixtrans-56.5122.1159.8-15515.6000106.4E255 D256N234-E255 WeakPolarHBondContact ND2-CG 3.35Å; N234-E255 PolarHBondContact ND2-O 3.39Å; N234-E255 PolarHBondContact ND2-OE1 2.97Å; N234-D256 WeakPolarHBondContact O-CB 3.45Å
235P90.9Very high79.2Confident49 Ų4972.6 Ų72.632%0.31839%0.394SS..PPolyproline II helixtrans-58.6144.9-178.622.7-32.3000109.9M197 L237 E255M197-P235 HydrophobicContact SD-CB 3.87Å; P235-L237 HydrophobicContact CB-CD2 4.25Å; P235-L237 HydrophobicContact CB-CG 4.39Å; P235-L237 HydrophobicContact CG-CD2 4.22Å; P235-L237 HydrophobicContact CG-CG 4.12Å; P235-L237 PolarHBondContact O-N 2.84Å; P235-E255 WeakPolarHBondContact O-CB 3.49Å
236P94.9Very high80.3Confident2 Ų266.7 Ų66.71%0.01337%0.37CS..  trans-78.361.8179.933.9-34.8000110.3M197 L215 Q216 A238 A254 D256M197-P236 HydrophobicContact CB-CG 4.5Å; M197-P236 HydrophobicContact CG-CG 4.46Å; M197-P236 HydrophobicContact SD-CG 4.45Å; L215-P236 HydrophobicContact CB-CB 3.86Å; L215-P236 HydrophobicContact CB-CG 3.74Å; Q216-P236 HydrophobicContact CB-CG 4.22Å; P236-A238 PolarHBondContact O-N 3.17Å; P236-A254 HydrophobicContact CB-CB 4.11Å; P236-D256 HydrophobicContact CB-CB 4.17Å
237L97.7Very high81.7Confident46 Ų4662.6 Ų62.624%0.24135%0.351CS..  trans-59.7124.6171.6-51.8178.4000107.6L195 M197 P235 A254 E255L195-L237 HydrophobicContact CD2-CB 3.9Å; L195-L237 WeakPolarHBondContact O-CD2 3.43Å; M197-L237 HydrophobicContact CG-CD2 3.88Å; P235-L237 HydrophobicContact CB-CD2 4.25Å; P235-L237 HydrophobicContact CB-CG 4.39Å; P235-L237 HydrophobicContact CG-CD2 4.22Å; P235-L237 HydrophobicContact CG-CG 4.12Å; P235-L237 PolarHBondContact O-N 2.84Å; L237-A254 CarbonylContact O-C 3.55Å; L237-A254 WeakPolarHBondContact O-CA 3.44Å; L237-E255 HydrophobicContact CB-CB 3.8Å; L237-E255 HydrophobicContact CD1-CB 4.48Å; L237-E255 HydrophobicContact CD1-CG 4.31Å; L237-E255 HydrophobicContact CG-CB 4.21Å; L237-E255 HydrophobicContact CG-CG 4.48Å; L237-E255 PolarHBondContact O-N 2.81Å
238A98.4Very high83.2Confident0 Ų056.9 Ų56.90%033%0.327CS..EExtended strand (participates in β ladder)trans-82.8128.4-175.100000109.5S178 A193 G194 L215 P236 C252S178-A238 WeakPolarHBondContact CB-O 3.48Å; S178-A238 PolarHBondContact OG-O 2.66Å; A193-A238 HydrophobicContact CB-CB 3.72Å; G194-A238 CarbonylContact C-O 3.36Å; G194-A238 WeakPolarHBondContact O-CB 3.33Å; G194-A238 PolarHBondContact O-N 2.79Å; L215-A238 HydrophobicContact CD1-CB 3.99Å; P236-A238 PolarHBondContact O-N 3.17Å; A238-C252 VanDerWaalsContact CB-SG 3.59Å
239H98.4Very high85Confident55 Ų5549.8 Ų49.826%0.25530%0.296SS..EExtended strand (participates in β ladder)trans-110.8-40.5-173.8-74-55.8000113.8S178 S179 A253 E255S178-H239 WeakPolarHBondContact CB-O 3.21Å; S178-H239 PolarHBondContact OG-O 3.22Å; S179-H239 WeakPolarHBondContact CB-O 3.43Å; H239-A253 PolarHBondContact N-O 3.26Å; H239-E255 IonicContact CD2-OE2 3.28Å; H239-E255 IonicContact CE1-OE2 3.43Å; H239-E255 IonicContact NE2-OE2 2.79Å; H239-E255 PolarHBondContact NE2-OE2 3.08Å
240C98.6Very high87.4Confident5 Ų544.9 Ų44.93%0.03426%0.255CS..EExtended strand (participates in β ladder)trans-142.5129.7-173.9178.70000110.2C252 A253 S284 Q285C240-C252 CarbonylContact O-C 3.55Å; C240-C252 WeakPolarHBondContact O-CA 3.41Å; C240-A253 HydrophobicContact CB-CB 4.09Å; C240-A253 PolarHBondContact O-N 3.08Å; C240-S284 WeakPolarHBondContact CB-O 3.27Å; C240-Q285 PolarHBondContact SG-OE1 2.58Å
241V98.6Very high89.6Confident6 Ų641.3 Ų41.34%0.03622%0.218CC..EExtended strand (participates in β ladder)trans-113.4139168.8-760000112S179 A181 V191 A193 V199 A251 C252S179-V241 WeakPolarHBondContact OG-CG2 3.46Å; S179-V241 PolarHBondContact OG-N 3.01Å; A181-V241 HydrophobicContact CB-CG2 4.41Å; V191-V241 HydrophobicContact CG1-CB 4.4Å; V191-V241 HydrophobicContact CG1-CG1 4.26Å; V191-V241 HydrophobicContact CG1-CG2 4.47Å; A193-V241 HydrophobicContact CB-CB 4.34Å; A193-V241 HydrophobicContact CB-CG1 3.31Å; A193-V241 HydrophobicContact CB-CG2 4.19Å; V199-V241 HydrophobicContact CG1-CG1 4.29Å; V241-A251 VanDerWaalsContact CA-O 3.32Å; V241-A251 WeakPolarHBondContact CA-O 3.48Å; V241-C252 HydrophobicContact CG1-CB 3.98Å
242S98.1Very high91.8Very high15 Ų1533.5 Ų33.511%0.10518%0.182CC..EExtended strand (participates in β ladder)trans-136.6149.5172.9-172.40000110.7L250 A251 A286 F288S242-L250 WeakPolarHBondContact O-CA 3.41Å; S242-A251 PolarHBondContact N-O 3.13Å; S242-A251 PolarHBondContact O-N 2.86Å; S242-A286 WeakPolarHBondContact CB-O 3.46Å; S242-F288 PolarHBondContact OG-N 2.85Å
243V97.4Very high94.1Very high16 Ų1624.7 Ų24.710%0.09714%0.136CC..EExtended strand (participates in β ladder)trans-119.1124.9-179.7-172.20000109A181 R183 P184 V191 L250A181-V243 HydrophobicContact CB-CG2 4.03Å; R183-V243 HydrophobicContact CG-CG1 4.31Å; P184-V243 HydrophobicContact CG-CB 4.49Å; P184-V243 HydrophobicContact CG-CG1 4.26Å; V191-V243 HydrophobicContact CG2-CG2 4.38Å; V243-L250 HydrophobicContact CB-CD2 3.98Å; V243-L250 HydrophobicContact CG1-CD2 3.57Å; V243-L250 HydrophobicContact CG2-CD2 3.55Å
244A96.1Very high95.7Very high0 Ų020.4 Ų20.40%012%0.117CC..  trans-59.2150.3173.800000110.5C246 G247 V249 F288 P295A244-C246 PolarHBondContact O-N 3.42Å; A244-G247 WeakPolarHBondContact O-CA 3.37Å; A244-G247 PolarHBondContact O-N 3.37Å; A244-V249 HydrophobicContact CB-CB 4.05Å; A244-V249 WeakPolarHBondContact CB-O 3.31Å; A244-V249 PolarHBondContact N-O 3.19Å; A244-F288 HydrophobicContact CB-CD1 4.01Å; A244-F288 HydrophobicContact CB-CD2 3.96Å; A244-F288 HydrophobicContact CB-CE1 4.2Å; A244-F288 HydrophobicContact CB-CE2 4.12Å; A244-F288 HydrophobicContact CB-CG 3.9Å; A244-F288 HydrophobicContact CB-CZ 4.26Å; A244-P295 WeakPolarHBondContact CB-O 3.49Å
245T93.6Very high96.4Very high65 Ų6518.5 Ų18.540%0.39911%0.105SC..THydrogen-bonded Turntrans-59.6-20.6-178.250.50000114.6G247 P295T245-G247 PolarHBondContact O-N 2.78Å; T245-P295 WeakPolarHBondContact OG1-CB 3.42Å
246C92.2Very high96.6Very high32 Ų3216.5 Ų16.522%0.2169%0.092CC..THydrogen-bonded Turntrans-70.5-9.3171.365.70000113.8A244 N248 P295A244-C246 PolarHBondContact O-N 3.42Å; C246-N248 PolarHBondContact O-N 3.23Å; C246-N248 VanDerWaalsContact O-N 3.16Å; C246-P295 HydrophobicContact CB-CG 4.32Å
247G93.7Very high96.6Very high1 Ų116.4 Ų16.41%0.019%0.091CC..SBendtrans72.7-2.2179.400000115R183 A244 T245R183-G247 WeakPolarHBondContact CD-O 3.39Å; R183-G247 WeakPolarHBondContact CG-O 3.3Å; R183-G247 PolarHBondContact NE-O 3.03Å; R183-G247 PolarHBondContact NH2-O 3.08Å; A244-G247 WeakPolarHBondContact O-CA 3.37Å; A244-G247 PolarHBondContact O-N 3.37Å; T245-G247 PolarHBondContact O-N 2.78Å
248N93.2Very high96.5Very high58 Ų5815.7 Ų15.731%0.319%0.085SC..SBendtrans-115.4-3.6-170.3-64.7-24.1000114.1R183 C246 R263 V264R183-N248 PolarHBondContact NH2-OD1 2.83Å; C246-N248 PolarHBondContact O-N 3.23Å; C246-N248 VanDerWaalsContact O-N 3.16Å; N248-R263 CarbonylContact O-C 3.59Å; N248-R263 VanDerWaalsContact O-CA 3.27Å; N248-R263 WeakPolarHBondContact O-CA 3.33Å; N248-V264 PolarHBondContact O-N 3.17Å
249V95.8Very high96.4Very high0 Ų015.7 Ų15.70%09%0.085CC..EExtended strand (participates in β ladder)trans-123.6130.7176.6-179.20000108.2A244 M262 F288 Y296 P316A244-V249 HydrophobicContact CB-CB 4.05Å; A244-V249 WeakPolarHBondContact CB-O 3.31Å; A244-V249 PolarHBondContact N-O 3.19Å; V249-M262 CarbonylContact C-O 3.28Å; V249-M262 WeakPolarHBondContact CA-O 3.33Å; V249-F288 HydrophobicContact CG1-CE1 4.38Å; V249-F288 HydrophobicContact CG1-CZ 3.83Å; V249-Y296 HydrophobicContact CB-CD1 4.37Å; V249-Y296 HydrophobicContact CB-CE1 4.1Å; V249-Y296 HydrophobicContact CG2-CD1 4.16Å; V249-Y296 HydrophobicContact CG2-CE1 3.54Å; V249-P316 HydrophobicContact CG2-CB 4.24Å
250L97.4Very high96.3Very high2 Ų213.2 Ų13.21%0.017%0.074CC..EExtended strand (participates in β ladder)trans-119.5145.6-177.6-44.9176000108.3V191 W211 S242 V243 L261 M262 V264V191-L250 HydrophobicContact CG1-CD1 4.43Å; V191-L250 HydrophobicContact CG2-CD1 3.87Å; V191-L250 HydrophobicContact CG2-CD2 3.96Å; W211-L250 HydrophobicContact CH2-CD1 3.71Å; W211-L250 HydrophobicContact CZ2-CD1 3.77Å; S242-L250 WeakPolarHBondContact O-CA 3.41Å; V243-L250 HydrophobicContact CB-CD2 3.98Å; V243-L250 HydrophobicContact CG1-CD2 3.57Å; V243-L250 HydrophobicContact CG2-CD2 3.55Å; L250-L261 WeakPolarHBondContact O-CA 3.22Å; L250-M262 HydrophobicContact CB-CB 4.19Å; L250-M262 HydrophobicContact CB-CE 4.08Å; L250-M262 HydrophobicContact CD1-CB 4.26Å; L250-M262 HydrophobicContact CD1-CE 4.48Å; L250-M262 HydrophobicContact CG-CB 4.48Å; L250-M262 PolarHBondContact N-O 3.07Å; L250-M262 PolarHBondContact O-N 3.15Å; L250-V264 HydrophobicContact CD1-CG2 3.7Å; L250-V264 HydrophobicContact CG-CG2 4.11Å
251A98.2Very high96.3Very high0 Ų013 Ų130%07%0.072CC..EExtended strand (participates in β ladder)trans-122.3142.1169.900000108.5V241 S242 V259 H260 L261 A286 F288 L298V241-A251 VanDerWaalsContact CA-O 3.32Å; V241-A251 WeakPolarHBondContact CA-O 3.48Å; S242-A251 PolarHBondContact N-O 3.13Å; S242-A251 PolarHBondContact O-N 2.86Å; A251-V259 HydrophobicContact CB-CG1 3.89Å; A251-H260 CarbonylContact C-O 3.54Å; A251-H260 WeakPolarHBondContact CA-O 3.41Å; A251-L261 HydrophobicContact CB-CD2 3.94Å; A251-A286 HydrophobicContact CB-CB 4.27Å; A251-F288 HydrophobicContact CB-CD2 4.45Å; A251-F288 HydrophobicContact CB-CE2 3.56Å; A251-F288 HydrophobicContact CB-CZ 3.77Å; A251-L298 HydrophobicContact CB-CD1 3.77Å; A251-L298 HydrophobicContact CB-CD2 4.34Å
252C98.6Very high96.2Very high0 Ų012.7 Ų12.70%07%0.071CC..EExtended strand (participates in β ladder)trans-133.2112.3174.7-175.90000109.5V199 A238 C240 V241 V259 H260 M262V199-C252 HydrophobicContact CG2-CB 4.01Å; V199-C252 VanDerWaalsContact CG2-SG 3.58Å; A238-C252 VanDerWaalsContact CB-SG 3.59Å; C240-C252 CarbonylContact O-C 3.55Å; C240-C252 WeakPolarHBondContact O-CA 3.41Å; V241-C252 HydrophobicContact CG1-CB 3.98Å; C252-V259 CarbonylContact O-C 3.59Å; C252-V259 VanDerWaalsContact O-CA 3.31Å; C252-V259 WeakPolarHBondContact O-CA 3.18Å; C252-H260 HydrophobicContact CB-CB 4.34Å; C252-H260 PolarHBondContact N-O 2.96Å; C252-H260 PolarHBondContact O-N 2.98Å; C252-M262 HydrophobicContact CB-CE 4.07Å
253A98.5Very high96.1Very high0 Ų015.2 Ų15.20%08%0.078CC..EExtended strand (participates in β ladder)trans-75.3135.7171.700000109.7H239 C240 V259 A283 A286H239-A253 PolarHBondContact N-O 3.26Å; C240-A253 HydrophobicContact CB-CB 4.09Å; C240-A253 PolarHBondContact O-N 3.08Å; A253-V259 HydrophobicContact CB-CG2 4.41Å; A253-A283 CarbonylContact C-O 3.48Å; A253-A283 HydrophobicContact CB-CB 3.99Å; A253-A283 WeakPolarHBondContact CB-O 3.5Å; A253-A286 HydrophobicContact CB-CB 3.85Å
254A98.1Very high95.9Very high0 Ų014.6 Ų14.60%07%0.074CC..EExtended strand (participates in β ladder)trans-133.4155.5-177.100000113.2L215 P236 L237 D256 G257 R258 A283L215-A254 HydrophobicContact CD1-CB 4.27Å; P236-A254 HydrophobicContact CB-CB 4.11Å; L237-A254 CarbonylContact O-C 3.55Å; L237-A254 WeakPolarHBondContact O-CA 3.44Å; A254-D256 WeakPolarHBondContact CB-OD1 3.38Å; A254-D256 PolarHBondContact O-N 3.41Å; A254-D256 VanDerWaalsContact O-N 3.15Å; A254-G257 PolarHBondContact O-N 2.98Å; A254-R258 PolarHBondContact N-O 2.79Å; A254-A283 PolarHBondContact N-O 2.89Å; A254-A283 PolarHBondContact O-N 3.25Å
255E96.9Very high95.6Very high36 Ų3615.2 Ų15.217%0.1688%0.081CC..THydrogen-bonded Turntrans-63.4-18.3-176.4-173.751.1-137.400113.6N234 P235 L237 H239 G257 G282N234-E255 WeakPolarHBondContact ND2-CG 3.35Å; N234-E255 PolarHBondContact ND2-O 3.39Å; N234-E255 PolarHBondContact ND2-OE1 2.97Å; P235-E255 WeakPolarHBondContact O-CB 3.49Å; L237-E255 HydrophobicContact CB-CB 3.8Å; L237-E255 HydrophobicContact CD1-CB 4.48Å; L237-E255 HydrophobicContact CD1-CG 4.31Å; L237-E255 HydrophobicContact CG-CB 4.21Å; L237-E255 HydrophobicContact CG-CG 4.48Å; L237-E255 PolarHBondContact O-N 2.81Å; H239-E255 IonicContact CD2-OE2 3.28Å; H239-E255 IonicContact CE1-OE2 3.43Å; H239-E255 IonicContact NE2-OE2 2.79Å; H239-E255 PolarHBondContact NE2-OE2 3.08Å; E255-G257 PolarHBondContact O-N 3.41Å; E255-G282 WeakPolarHBondContact O-CA 3.47Å
256D93.9Very high95.3Very high7 Ų717.1 Ų17.14%0.03710%0.097CC..THydrogen-bonded Turntrans-741.2171.477.7-21.3000113.7N234 P236 A254 R258 H260 K277N234-D256 WeakPolarHBondContact O-CB 3.45Å; P236-D256 HydrophobicContact CB-CB 4.17Å; A254-D256 WeakPolarHBondContact CB-OD1 3.38Å; A254-D256 PolarHBondContact O-N 3.41Å; A254-D256 VanDerWaalsContact O-N 3.15Å; D256-R258 VanDerWaalsContact C-N 3.3Å; D256-R258 VanDerWaalsContact OD1-CB 3.29Å; D256-R258 WeakPolarHBondContact OD1-CB 3.39Å; D256-R258 PolarHBondContact OD1-N 2.88Å; D256-R258 WeakPolarHBondContact OD2-CD 3.47Å; D256-R258 VanDerWaalsContact OD2-CG 3.29Å; D256-R258 WeakPolarHBondContact OD2-CG 3.45Å; D256-R258 IonicContact OD2-NE 3.84Å; D256-R258 PolarHBondContact OD2-NE 2.88Å; D256-H260 IonicContact OD2-NE2 2.97Å; D256-K277 PolarHBondContact O-NZ 3.27Å
257G94.8Very high94.9Very high0 Ų018.5 Ų18.50%012%0.116CC..SBendtrans79.410.2-179.500000114.4A254 E255 A278 H279 Q281A254-G257 PolarHBondContact O-N 2.98Å; E255-G257 PolarHBondContact O-N 3.41Å; G257-A278 PolarHBondContact O-N 2.95Å; G257-H279 PolarHBondContact O-N 2.8Å; G257-Q281 WeakPolarHBondContact CA-O 3.44Å
258R95.8Very high94.7Very high31 Ų3119.1 Ų19.112%0.11712%0.12CC..EExtended strand (participates in β ladder)trans-97.4157.5175.4-57.4-175.2-169-163.44.9111E222 A254 D256 A275 I276 K277E222-R258 IonicContact OE2-CZ 3.27Å; E222-R258 IonicContact OE2-NH1 3.02Å; E222-R258 PolarHBondContact OE2-NH1 2.87Å; A254-R258 PolarHBondContact N-O 2.79Å; D256-R258 VanDerWaalsContact C-N 3.3Å; D256-R258 VanDerWaalsContact OD1-CB 3.29Å; D256-R258 WeakPolarHBondContact OD1-CB 3.39Å; D256-R258 PolarHBondContact OD1-N 2.88Å; D256-R258 WeakPolarHBondContact OD2-CD 3.47Å; D256-R258 VanDerWaalsContact OD2-CG 3.29Å; D256-R258 WeakPolarHBondContact OD2-CG 3.45Å; D256-R258 IonicContact OD2-NE 3.84Å; D256-R258 PolarHBondContact OD2-NE 2.88Å; R258-A275 HydrophobicContact CB-CB 4.45Å; R258-I276 CarbonylContact C-O 3.49Å; R258-I276 WeakPolarHBondContact CA-O 3.5Å; R258-I276 WeakPolarHBondContact CB-O 3.21Å; R258-K277 HydrophobicContact CG-CD 4.03Å
259V97.3Very high94.6Very high0 Ų023.2 Ų23.20%014%0.135CC..EExtended strand (participates in β ladder)trans-112115160.9-179.30000108.1A251 C252 A253 L261 A275 I276 A278 A283 A286 L298 T300A251-V259 HydrophobicContact CB-CG1 3.89Å; C252-V259 CarbonylContact O-C 3.59Å; C252-V259 VanDerWaalsContact O-CA 3.31Å; C252-V259 WeakPolarHBondContact O-CA 3.18Å; A253-V259 HydrophobicContact CB-CG2 4.41Å; V259-L261 HydrophobicContact CG1-CD2 4.38Å; V259-A275 WeakPolarHBondContact O-CA 3.42Å; V259-I276 HydrophobicContact CB-CD1 4.31Å; V259-I276 HydrophobicContact CB-CG1 3.9Å; V259-I276 PolarHBondContact N-O 2.76Å; V259-I276 PolarHBondContact O-N 2.91Å; V259-A278 HydrophobicContact CG2-CB 3.97Å; V259-A283 HydrophobicContact CG2-CB 4.28Å; V259-A286 HydrophobicContact CG1-CB 3.94Å; V259-A286 HydrophobicContact CG2-CB 4.18Å; V259-L298 HydrophobicContact CG1-CD2 4.06Å; V259-T300 HydrophobicContact CG2-CG2 3.76Å
260H96.6Very high94.6Very high3 Ų325.7 Ų25.71%0.01415%0.148CC..EExtended strand (participates in β ladder)trans-80.8130.6176.1-64.6-97.6000109.5L215 A251 C252 D256 M262 G274L215-H260 HydrophobicContact CD2-CB 4.01Å; A251-H260 CarbonylContact C-O 3.54Å; A251-H260 WeakPolarHBondContact CA-O 3.41Å; C252-H260 HydrophobicContact CB-CB 4.34Å; C252-H260 PolarHBondContact N-O 2.96Å; C252-H260 PolarHBondContact O-N 2.98Å; D256-H260 IonicContact OD2-NE2 2.97Å; H260-M262 HydrophobicContact CB-SD 4.01Å; H260-G274 CarbonylContact C-O 3.55Å; H260-G274 WeakPolarHBondContact CA-O 3.45Å
261L96.8Very high94.2Very high0 Ų030 Ų300%017%0.171CC..EExtended strand (participates in β ladder)trans-112128.4-178.6-63.5173.2000109.3L250 A251 V259 Q273 G274 I276 L298 L312 V318L250-L261 WeakPolarHBondContact O-CA 3.22Å; A251-L261 HydrophobicContact CB-CD2 3.94Å; V259-L261 HydrophobicContact CG1-CD2 4.38Å; L261-Q273 CarbonylContact O-C 3.46Å; L261-Q273 VanDerWaalsContact O-CA 3.23Å; L261-Q273 WeakPolarHBondContact O-CA 3.44Å; L261-G274 PolarHBondContact N-O 2.86Å; L261-G274 PolarHBondContact O-N 2.8Å; L261-I276 HydrophobicContact CD1-CG2 4.33Å; L261-L298 HydrophobicContact CD2-CD2 4.39Å; L261-L312 HydrophobicContact CD1-CD1 3.85Å; L261-L312 HydrophobicContact CD2-CD1 4.07Å; L261-V318 HydrophobicContact CD1-CG2 4.25Å
262M96.9Very high93.8Very high1 Ų136.5 Ų36.51%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-125.6138.9-179.7-62.580.176.900110.4V199 L213 V249 L250 C252 H260 L270 Q273V199-M262 HydrophobicContact CB-CE 4.12Å; V199-M262 HydrophobicContact CG1-CE 3.67Å; V199-M262 HydrophobicContact CG2-CE 4.11Å; L213-M262 HydrophobicContact CD2-CG 3.74Å; L213-M262 HydrophobicContact CD2-SD 4.16Å; V249-M262 CarbonylContact C-O 3.28Å; V249-M262 WeakPolarHBondContact CA-O 3.33Å; L250-M262 HydrophobicContact CB-CB 4.19Å; L250-M262 HydrophobicContact CB-CE 4.08Å; L250-M262 HydrophobicContact CD1-CB 4.26Å; L250-M262 HydrophobicContact CD1-CE 4.48Å; L250-M262 HydrophobicContact CG-CB 4.48Å; L250-M262 PolarHBondContact N-O 3.07Å; L250-M262 PolarHBondContact O-N 3.15Å; C252-M262 HydrophobicContact CB-CE 4.07Å; H260-M262 HydrophobicContact CB-SD 4.01Å; M262-L270 HydrophobicContact CB-CD1 3.73Å; M262-L270 HydrophobicContact CG-CD1 4.04Å; M262-Q273 HydrophobicContact CG-CB 4.37Å
263R95.4Very high93.5Very high68 Ų6839.4 Ų39.426%0.25721%0.209SC..EExtended strand (participates in β ladder)trans-108.4125.1170.8176.5167.3-72.3-108.6-7.6110.6N248 D271 R272 V317N248-R263 CarbonylContact O-C 3.59Å; N248-R263 VanDerWaalsContact O-CA 3.27Å; N248-R263 WeakPolarHBondContact O-CA 3.33Å; R263-D271 PolarHBondContact O-N 2.9Å; R263-R272 HydrophobicContact CB-CB 4.3Å; R263-R272 PolarHBondContact N-O 3.43Å; R263-R272 PolarHBondContact O-N 3.2Å; R263-V317 HydrophobicContact CB-CG2 3.56Å
264V94.1Very high93.1Very high3 Ų339.6 Ų39.62%0.01821%0.211CC..EExtended strand (participates in β ladder)trans-95.9119.5175.7-176.70000109.5L201 W211 N248 L250 K269L201-V264 HydrophobicContact CD2-CG1 4.05Å; L201-V264 HydrophobicContact CD2-CG2 4.45Å; W211-V264 HydrophobicContact CZ2-CG2 3.9Å; N248-V264 PolarHBondContact O-N 3.17Å; L250-V264 HydrophobicContact CD1-CG2 3.7Å; L250-V264 HydrophobicContact CG-CG2 4.11Å; V264-K269 CarbonylContact C-O 3.58Å; V264-K269 WeakPolarHBondContact CA-O 3.34Å
265G90.1Very high92.9Very high13 Ų1340 Ų4013%0.13422%0.215CC..  trans-87.5-166.1-179.200000116S268 K269 D271G265-S268 PolarHBondContact O-N 2.85Å; G265-S268 VanDerWaalsContact O-N 3.13Å; G265-K269 PolarHBondContact N-O 2.84Å; G265-D271 WeakPolarHBondContact CA-OD1 3.34Å; G265-D271 WeakPolarHBondContact CA-OD2 3.45Å
266S86.1Confident92.7Very high105 Ų10539.1 Ų39.173%0.73421%0.211SC*.G310 helixtrans-55.5138.5171.970.80000111.2S268S266-S268 PolarHBondContact O-N 2.93Å
267G84.6Confident92.6Very high60 Ų6044.3 Ų44.362%0.61923%0.233SC*.G310 helixtrans67.615.8-177.300000115.2K269G267-K269 VanDerWaalsContact C-N 3.3Å; G267-K269 PolarHBondContact O-N 2.78Å
268S89.3Confident92.6Very high14 Ų1445.2 Ų45.210%0.09824%0.24CC..G310 helixtrans67.324.3179.7-55.40000114.7R183 L201 V210 W211 G265 S266R183-S268 PolarHBondContact NH1-OG 3.14Å; L201-S268 WeakPolarHBondContact CD2-O 3.5Å; V210-S268 WeakPolarHBondContact CG1-O 3.28Å; W211-S268 PolarHBondContact NE1-O 3.2Å; G265-S268 PolarHBondContact O-N 2.85Å; G265-S268 VanDerWaalsContact O-N 3.13Å; S266-S268 PolarHBondContact O-N 2.93Å
269K92.3Very high92.5Very high145 Ų14543.9 Ų43.963%0.6324%0.236SC*.  trans-78.1151.6173.6-64.7-178179.8179.90110.7V264 G265 G267 D271V264-K269 CarbonylContact C-O 3.58Å; V264-K269 WeakPolarHBondContact CA-O 3.34Å; G265-K269 PolarHBondContact N-O 2.84Å; G267-K269 VanDerWaalsContact C-N 3.3Å; G267-K269 PolarHBondContact O-N 2.78Å; K269-D271 PolarHBondContact O-N 2.82Å
270L94.1Very high92.4Very high52 Ų5248.4 Ų48.427%0.27227%0.267SS..EExtended strand (participates in β ladder)trans-76113.4168.6-178.960.9000108.1W211 L213 M262W211-L270 HydrophobicContact CD2-CB 4.19Å; W211-L270 HydrophobicContact CG-CB 4.2Å; W211-L270 HydrophobicContact CZ2-CD1 4.46Å; L213-L270 HydrophobicContact CB-CD2 4.47Å; L213-L270 HydrophobicContact CD1-CD2 4.21Å; L213-L270 HydrophobicContact CD2-CD2 4.35Å; M262-L270 HydrophobicContact CB-CD1 3.73Å; M262-L270 HydrophobicContact CG-CD1 4.04Å
271D90.1Very high92.3Very high92 Ų9253.3 Ų53.349%0.49229%0.29SS..EExtended strand (participates in β ladder)trans-94.3-45.3-175.3-83.211.8000112R263 G265 K269R263-D271 PolarHBondContact O-N 2.9Å; G265-D271 WeakPolarHBondContact CA-OD1 3.34Å; G265-D271 WeakPolarHBondContact CA-OD2 3.45Å; K269-D271 PolarHBondContact O-N 2.82Å
272R90.1Very high92.3Very high137 Ų13753.3 Ų53.352%0.51729%0.29SS..EExtended strand (participates in β ladder)trans-144152-178.8-57.1-176.487.2-176.42.8109.6R263 V317R263-R272 HydrophobicContact CB-CB 4.3Å; R263-R272 PolarHBondContact N-O 3.43Å; R263-R272 PolarHBondContact O-N 3.2Å; R272-V317 HydrophobicContact CB-CG1 4.15Å
273Q92.5Very high92.3Very high61 Ų6153.3 Ų53.329%0.28529%0.29SS..EExtended strand (participates in β ladder)trans-141.1160.8171.871.2-168.819.300110.3L261 M262 V317L261-Q273 CarbonylContact O-C 3.46Å; L261-Q273 VanDerWaalsContact O-CA 3.23Å; L261-Q273 WeakPolarHBondContact O-CA 3.44Å; M262-Q273 HydrophobicContact CG-CB 4.37Å; Q273-V317 VanDerWaalsContact C-CG1 3.41Å
274G90.3Very high92.5Very high4 Ų450.8 Ų50.84%0.04128%0.283CS..EExtended strand (participates in β ladder)trans-172.9-176.1173.700000110.1H260 L261 V318H260-G274 CarbonylContact C-O 3.55Å; H260-G274 WeakPolarHBondContact CA-O 3.45Å; L261-G274 PolarHBondContact N-O 2.86Å; L261-G274 PolarHBondContact O-N 2.8Å; G274-V318 VanDerWaalsContact CA-O 3.32Å; G274-V318 WeakPolarHBondContact CA-O 3.46Å
275A92.1Very high92.7Very high9 Ų951.4 Ų51.47%0.07429%0.286CS..EExtended strand (participates in β ladder)trans-147.3151.9179.800000111.2R258 V259 V318R258-A275 HydrophobicContact CB-CB 4.45Å; V259-A275 WeakPolarHBondContact O-CA 3.42Å; A275-V318 PolarHBondContact N-O 2.91Å
276I92.6Very high93Very high16 Ų1650.8 Ų50.88%0.08228%0.279CS..EExtended strand (participates in β ladder)trans-115.4135.1168.957.1172.4000108.9R258 V259 L261 A278 L298 W310 V318R258-I276 CarbonylContact C-O 3.49Å; R258-I276 WeakPolarHBondContact CA-O 3.5Å; R258-I276 WeakPolarHBondContact CB-O 3.21Å; V259-I276 HydrophobicContact CB-CD1 4.31Å; V259-I276 HydrophobicContact CB-CG1 3.9Å; V259-I276 PolarHBondContact N-O 2.76Å; V259-I276 PolarHBondContact O-N 2.91Å; L261-I276 HydrophobicContact CD1-CG2 4.33Å; I276-A278 HydrophobicContact CG1-CB 4.5Å; I276-A278 PolarHBondContact O-N 3.21Å; I276-A278 VanDerWaalsContact O-N 3.11Å; I276-L298 HydrophobicContact CD1-CD2 4.39Å; I276-W310 HydrophobicContact CD1-CD2 3.63Å; I276-W310 HydrophobicContact CD1-CE3 3.75Å; I276-W310 HydrophobicContact CD1-CG 4.11Å; I276-W310 HydrophobicContact CD1-CH2 4.28Å; I276-W310 HydrophobicContact CD1-CZ2 4.2Å; I276-W310 HydrophobicContact CD1-CZ3 4.06Å; I276-V318 HydrophobicContact CG2-CB 3.89Å; I276-V318 HydrophobicContact CG2-CG1 4.26Å; I276-V318 HydrophobicContact CG2-CG2 3.81Å
277K93.1Very high93.6Very high117 Ų11747.5 Ų47.551%0.50925%0.252SS..EExtended strand (participates in β ladder)trans-7993.7169.5-17656.7168.5160.70107.6D256 R258 H279D256-K277 PolarHBondContact O-NZ 3.27Å; R258-K277 HydrophobicContact CG-CD 4.03Å; K277-H279 WeakPolarHBondContact CD-O 3.46Å; K277-H279 WeakPolarHBondContact CE-O 3.07Å; K277-H279 PolarHBondContact NZ-O 2.85Å
278A93.6Very high94.2Very high18 Ų1845.6 Ų45.615%0.14923%0.227CC..  trans-87.1-36.9-17300000112.3G257 V259 I276 W310G257-A278 PolarHBondContact O-N 2.95Å; V259-A278 HydrophobicContact CG2-CB 3.97Å; I276-A278 HydrophobicContact CG1-CB 4.5Å; I276-A278 PolarHBondContact O-N 3.21Å; I276-A278 VanDerWaalsContact O-N 3.11Å; A278-W310 HydrophobicContact CB-CH2 4.29Å; A278-W310 HydrophobicContact CB-CZ2 3.58Å
279H95.4Very high94.4Very high4 Ų445 Ų452%0.01922%0.223CC..  trans-130.7149.6-173.6-65.5-80.6000111.4G257 K277 Q281 T300 G301 G302 D304 M306G257-H279 PolarHBondContact O-N 2.8Å; K277-H279 WeakPolarHBondContact CD-O 3.46Å; K277-H279 WeakPolarHBondContact CE-O 3.07Å; K277-H279 PolarHBondContact NZ-O 2.85Å; H279-Q281 CarbonylContact C-O 3.58Å; H279-Q281 VanDerWaalsContact CB-O 3.25Å; H279-Q281 WeakPolarHBondContact CB-O 3.44Å; H279-T300 WeakPolarHBondContact NE2-CB 3.41Å; H279-T300 PolarHBondContact NE2-OG1 3.21Å; H279-G301 VanDerWaalsContact CE1-C 3.5Å; H279-G302 PolarHBondContact CE1-N 3.33Å; H279-G302 VanDerWaalsContact CE1-N 3.33Å; H279-D304 WeakPolarHBondContact CA-OD2 3.32Å; H279-D304 WeakPolarHBondContact CB-OD2 3.39Å; H279-D304 IonicContact CE1-OD1 3.13Å; H279-D304 IonicContact CG-OD1 2.74Å; H279-D304 IonicContact CG-OD2 3.45Å; H279-D304 IonicContact ND1-OD1 3.1Å; H279-D304 PolarHBondContact ND1-OD1 3.33Å; H279-D304 IonicContact ND1-OD2 2.89Å; H279-M306 PolarHBondContact CE1-O 3.01Å
280S94.1Very high94.2Very high94 Ų9441.7 Ų41.766%0.65722%0.218SC*.SBendtrans-74.6-30.6176.660.30000112.4D304S280-D304 PolarHBondContact N-OD2 2.92Å; S280-D304 WeakPolarHBondContact OG-CB 3.47Å; S280-D304 PolarHBondContact OG-OD2 3.25Å
281Q95.3Very high93.8Very high106 Ų10641.8 Ų41.850%0.49522%0.216SC..SBendtrans-108.6-171.2167.7-60.2-175.740.400110G257 H279 N303 D304G257-Q281 WeakPolarHBondContact CA-O 3.44Å; H279-Q281 CarbonylContact C-O 3.58Å; H279-Q281 VanDerWaalsContact CB-O 3.25Å; H279-Q281 WeakPolarHBondContact CB-O 3.44Å; Q281-N303 HydrophobicContact CB-CB 4Å; Q281-N303 PolarHBondContact OE1-O 3.33Å; Q281-D304 HydrophobicContact CB-CB 4.09Å; Q281-D304 HydrophobicContact CG-CB 4.09Å
282G96.3Very high93.6Very high1 Ų138.2 Ų38.21%0.0120%0.197CC..  trans-53.6137.2179.800000113.7E255 G302 N303E255-G282 WeakPolarHBondContact O-CA 3.47Å; G282-G302 WeakPolarHBondContact O-CA 3.21Å; G282-N303 PolarHBondContact O-N 2.78Å
283A97.9Very high93.1Very high0 Ų037.6 Ų37.60%021%0.211CC..EExtended strand (participates in β ladder)trans-87.1114.3173.900000107.5A253 A254 V259A253-A283 CarbonylContact C-O 3.48Å; A253-A283 HydrophobicContact CB-CB 3.99Å; A253-A283 WeakPolarHBondContact CB-O 3.5Å; A254-A283 PolarHBondContact N-O 2.89Å; A254-A283 PolarHBondContact O-N 3.25Å; V259-A283 HydrophobicContact CG2-CB 4.28Å
284S97.6Very high92.8Very high16 Ų1636.4 Ų36.411%0.11221%0.205CC..EExtended strand (participates in β ladder)trans-88.4-33.8-175.353.90000111.9C240 G301 V394C240-S284 WeakPolarHBondContact CB-O 3.27Å; S284-G301 PolarHBondContact N-O 3.08Å; S284-G301 PolarHBondContact OG-O 3.27Å; S284-G301 VanDerWaalsContact OG-O 3.13Å; S284-V394 WeakPolarHBondContact CB-O 3.43Å; S284-V394 PolarHBondContact OG-O 3.23Å
285Q98.3Very high92.6Very high15 Ų1537.9 Ų37.97%0.0721%0.214CC..EExtended strand (participates in β ladder)trans-137.4142.1-171.8-67-67.7-12.600112.2C240 H287 T300 G301 N395 V397C240-Q285 PolarHBondContact SG-OE1 2.58Å; Q285-H287 PolarHBondContact OE1-NE2 3.21Å; Q285-T300 VanDerWaalsContact O-CA 3.25Å; Q285-T300 WeakPolarHBondContact O-CA 3.42Å; Q285-G301 PolarHBondContact N-O 2.78Å; Q285-G301 VanDerWaalsContact N-O 3.15Å; Q285-G301 PolarHBondContact O-N 3.19Å; Q285-N395 WeakPolarHBondContact CG-O 3.38Å; Q285-N395 PolarHBondContact NE2-O 2.84Å; Q285-V397 HydrophobicContact CB-CB 4.21Å; Q285-V397 HydrophobicContact CB-CG2 4Å; Q285-V397 HydrophobicContact CG-CG2 4.48Å
286A98.2Very high92.6Very high0 Ų039.6 Ų39.60%022%0.219CC..EExtended strand (participates in β ladder)trans-148.1111.3172.100000110.4S242 A251 A253 V259 L298 A299 T300S242-A286 WeakPolarHBondContact CB-O 3.46Å; A251-A286 HydrophobicContact CB-CB 4.27Å; A253-A286 HydrophobicContact CB-CB 3.85Å; V259-A286 HydrophobicContact CG1-CB 3.94Å; V259-A286 HydrophobicContact CG2-CB 4.18Å; A286-L298 HydrophobicContact CB-CD1 4.28Å; A286-A299 CarbonylContact C-O 3.59Å; A286-A299 WeakPolarHBondContact CA-O 3.43Å; A286-T300 HydrophobicContact CB-CG2 4.35Å
287H97.9Very high92.7Very high36 Ų3639.4 Ų39.417%0.16722%0.217CC..EExtended strand (participates in β ladder)trans-129130-175.6-70.1-73.1000112.2Q285 L289 A299 V397 P399Q285-H287 PolarHBondContact OE1-NE2 3.21Å; H287-L289 WeakPolarHBondContact O-CD1 3.23Å; H287-A299 PolarHBondContact N-O 3.49Å; H287-A299 PolarHBondContact O-N 3.3Å; H287-V397 PolarHBondContact CD2-O 3.42Å; H287-V397 PolarHBondContact NE2-O 3.38Å; H287-P399 HydrophobicContact CB-CG 3.82Å
288F96.8Very high92.8Very high21 Ų2133.9 Ų33.99%0.09219%0.193CC..EExtended strand (participates in β ladder)trans-75.4140.8174-73.7-76.2000111.8S242 A244 V249 A251 W297 L298S242-F288 PolarHBondContact OG-N 2.85Å; A244-F288 HydrophobicContact CB-CD1 4.01Å; A244-F288 HydrophobicContact CB-CD2 3.96Å; A244-F288 HydrophobicContact CB-CE1 4.2Å; A244-F288 HydrophobicContact CB-CE2 4.12Å; A244-F288 HydrophobicContact CB-CG 3.9Å; A244-F288 HydrophobicContact CB-CZ 4.26Å; V249-F288 HydrophobicContact CG1-CE1 4.38Å; V249-F288 HydrophobicContact CG1-CZ 3.83Å; A251-F288 HydrophobicContact CB-CD2 4.45Å; A251-F288 HydrophobicContact CB-CE2 3.56Å; A251-F288 HydrophobicContact CB-CZ 3.77Å; F288-W297 CarbonylContact C-O 3.49Å; F288-W297 VanDerWaalsContact CA-O 3.29Å; F288-W297 WeakPolarHBondContact CA-O 3.34Å; F288-W297 WeakPolarHBondContact CD1-O 3.34Å; F288-L298 HydrophobicContact CD1-CB 4.31Å; F288-L298 HydrophobicContact CD1-CD1 3.99Å; F288-L298 HydrophobicContact CD2-CD1 4.26Å; F288-L298 HydrophobicContact CE1-CB 4.28Å; F288-L298 HydrophobicContact CE1-CD1 3.97Å; F288-L298 HydrophobicContact CE2-CD1 4.26Å; F288-L298 HydrophobicContact CG-CD1 4.13Å; F288-L298 HydrophobicContact CZ-CD1 4.11Å
289L94.3Very high93Very high1 Ų133 Ų331%0.00519%0.186CC..  trans-97.4104.5178.6-69.179.9000109.3H287 F291 L292 W297 A299 L309 P399 L408 L422H287-L289 WeakPolarHBondContact O-CD1 3.23Å; L289-F291 HydrophobicContact CB-CE2 4.37Å; L289-F291 HydrophobicContact CB-CZ 4.28Å; L289-F291 HydrophobicContact CD2-CE2 3.98Å; L289-F291 HydrophobicContact CD2-CZ 3.92Å; L289-F291 HydrophobicContact CG-CE2 4.5Å; L289-F291 HydrophobicContact CG-CZ 4.16Å; L289-L292 HydrophobicContact CB-CB 4.46Å; L289-L292 HydrophobicContact CB-CD1 3.9Å; L289-L292 HydrophobicContact CB-CG 4.07Å; L289-L292 HydrophobicContact CD2-CD1 3.55Å; L289-L292 HydrophobicContact CD2-CG 4.22Å; L289-L292 HydrophobicContact CG-CD1 4.31Å; L289-W297 HydrophobicContact CB-CB 3.9Å; L289-W297 HydrophobicContact CD1-CB 4.38Å; L289-W297 PolarHBondContact N-O 3.39Å; L289-A299 HydrophobicContact CD1-CB 3.74Å; L289-A299 VanDerWaalsContact CD1-N 3.29Å; L289-L309 HydrophobicContact CD1-CD2 4.24Å; L289-L309 HydrophobicContact CD2-CD2 4.26Å; L289-P399 HydrophobicContact CD1-CB 4.29Å; L289-P399 HydrophobicContact CD1-CG 4.13Å; L289-P399 HydrophobicContact CD2-CB 4.05Å; L289-P399 HydrophobicContact CG-CB 3.64Å; L289-P399 HydrophobicContact CG-CG 4.02Å; L289-L408 HydrophobicContact CD2-CD2 4.31Å; L289-L422 HydrophobicContact CD2-CD1 3.71Å
290S86.6Confident93.2Very high75 Ų7532.8 Ų32.852%0.52419%0.185SC..THydrogen-bonded Turntrans-74.9-24.7-176.456.10000114.4
291F86.1Confident93.4Very high55 Ų5528.3 Ų28.324%0.24115%0.153CC..THydrogen-bonded Turntrans-90.7-4.7-174.149.1-101.7000114L289 P399 L401 P406L289-F291 HydrophobicContact CB-CE2 4.37Å; L289-F291 HydrophobicContact CB-CZ 4.28Å; L289-F291 HydrophobicContact CD2-CE2 3.98Å; L289-F291 HydrophobicContact CD2-CZ 3.92Å; L289-F291 HydrophobicContact CG-CE2 4.5Å; L289-F291 HydrophobicContact CG-CZ 4.16Å; F291-P399 HydrophobicContact CE1-CB 3.99Å; F291-P399 HydrophobicContact CZ-CB 3.81Å; F291-L401 HydrophobicContact CB-CD1 3.93Å; F291-L401 HydrophobicContact CB-CD2 4.02Å; F291-L401 HydrophobicContact CB-CG 4Å; F291-L401 HydrophobicContact CD1-CD2 4.47Å; F291-L401 HydrophobicContact CD1-CG 4.13Å; F291-L401 HydrophobicContact CD2-CD2 3.77Å; F291-L401 HydrophobicContact CD2-CG 4.32Å; F291-L401 HydrophobicContact CE2-CD2 4.38Å; F291-L401 HydrophobicContact CG-CD1 4.37Å; F291-L401 HydrophobicContact CG-CD2 3.83Å; F291-L401 HydrophobicContact CG-CG 3.89Å; F291-P406 HydrophobicContact CD2-CB 4.15Å; F291-P406 HydrophobicContact CD2-CG 4.27Å; F291-P406 HydrophobicContact CE2-CB 3.83Å; F291-P406 HydrophobicContact CE2-CG 4.44Å
292L85.8Confident93.5Very high17 Ų1723.3 Ų23.39%0.08913%0.13CC..SBendtrans-85.5164.9174.2-68.7-175.2000111.1L289 H294 W297 P406L289-L292 HydrophobicContact CB-CB 4.46Å; L289-L292 HydrophobicContact CB-CD1 3.9Å; L289-L292 HydrophobicContact CB-CG 4.07Å; L289-L292 HydrophobicContact CD2-CD1 3.55Å; L289-L292 HydrophobicContact CD2-CG 4.22Å; L289-L292 HydrophobicContact CG-CD1 4.31Å; L292-H294 PolarHBondContact O-N 3.12Å; L292-W297 HydrophobicContact CB-CB 4.2Å; L292-W297 HydrophobicContact CB-CG 3.91Å; L292-W297 HydrophobicContact CD1-CB 3.74Å; L292-W297 HydrophobicContact CD1-CD2 3.71Å; L292-W297 HydrophobicContact CD1-CE3 4.22Å; L292-W297 HydrophobicContact CD1-CG 3.49Å; L292-W297 VanDerWaalsContact CD1-CG 3.49Å; L292-W297 HydrophobicContact CG-CG 4.36Å; L292-P406 HydrophobicContact CD2-CB 4.09Å; L292-P406 HydrophobicContact CD2-CG 4.07Å
293P81.3Confident93.6Very high123 Ų12325 Ų2580%0.79914%0.139SC*.SBendtrans-57.6-20.2-164.8-29.136.2000116.8
294H85.4Confident93.5Very high37 Ų3726.7 Ų26.717%0.17115%0.148CC..SBendtrans-142.4157.117569.178.6000110.3L292 Y296 W297 D311L292-H294 PolarHBondContact O-N 3.12Å; H294-Y296 VanDerWaalsContact CE1-C 3.43Å; H294-Y296 WeakPolarHBondContact ND1-CA 3.35Å; H294-Y296 WeakPolarHBondContact ND1-CB 3.32Å; H294-Y296 AromaticContact ND1-CD2 3.93Å; H294-Y296 PolarHBondContact ND1-N 2.72Å; H294-Y296 VanDerWaalsContact ND1-N 3.12Å; H294-Y296 PolarHBondContact O-N 2.93Å; H294-W297 AromaticContact CD2-CD1 3.77Å; H294-W297 AromaticContact CD2-NE1 3.66Å; H294-W297 AromaticContact CE1-CD1 3.41Å; H294-W297 VanDerWaalsContact CE1-CD1 3.41Å; H294-W297 AromaticContact CE1-NE1 3.72Å; H294-W297 AromaticContact NE2-CD1 3.23Å; H294-W297 AromaticContact NE2-CE2 3.95Å; H294-W297 AromaticContact NE2-NE1 3.07Å; H294-W297 PolarHBondContact NE2-NE1 2.96Å; H294-D311 IonicContact CE1-OD1 2.69Å; H294-D311 PolarHBondContact CE1-OD1 2.92Å; H294-D311 VanDerWaalsContact CE1-OD1 3.27Å; H294-D311 IonicContact NE2-OD1 3.69Å; H294-D311 PolarHBondContact NE2-OD1 2.8Å
295P86.6Confident93.4Very high34 Ų3426 Ų2622%0.22114%0.143CC..THydrogen-bonded Turntrans-78.312.8-169.134.9-40000114.2A244 T245 C246A244-P295 WeakPolarHBondContact CB-O 3.49Å; T245-P295 WeakPolarHBondContact OG1-CB 3.42Å; C246-P295 HydrophobicContact CB-CG 4.32Å
296Y91.1Very high93.4Very high45 Ų4526.8 Ų26.818%0.17615%0.147CC..THydrogen-bonded Turntrans-118.520.3-170.9-49.3-56.5000112.3V249 H294 L312 P316V249-Y296 HydrophobicContact CB-CD1 4.37Å; V249-Y296 HydrophobicContact CB-CE1 4.1Å; V249-Y296 HydrophobicContact CG2-CD1 4.16Å; V249-Y296 HydrophobicContact CG2-CE1 3.54Å; H294-Y296 VanDerWaalsContact CE1-C 3.43Å; H294-Y296 WeakPolarHBondContact ND1-CA 3.35Å; H294-Y296 WeakPolarHBondContact ND1-CB 3.32Å; H294-Y296 AromaticContact ND1-CD2 3.93Å; H294-Y296 PolarHBondContact ND1-N 2.72Å; H294-Y296 VanDerWaalsContact ND1-N 3.12Å; H294-Y296 PolarHBondContact O-N 2.93Å; Y296-L312 WeakPolarHBondContact O-CB 3.3Å; Y296-L312 PolarHBondContact O-N 3.32Å; Y296-P316 HydrophobicContact CD1-CB 3.92Å; Y296-P316 HydrophobicContact CD2-CB 4.28Å; Y296-P316 HydrophobicContact CE1-CB 4.07Å; Y296-P316 HydrophobicContact CE2-CB 4.39Å; Y296-P316 HydrophobicContact CG-CB 4.03Å
297W94.3Very high93.3Very high13 Ų1326.8 Ų26.85%0.04915%0.147CC..EExtended strand (participates in β ladder)trans-79.4130.3163.4-84.696.8000109.4F288 L289 L292 H294 L309 W310 D311 K385 L425F288-W297 CarbonylContact C-O 3.49Å; F288-W297 VanDerWaalsContact CA-O 3.29Å; F288-W297 WeakPolarHBondContact CA-O 3.34Å; F288-W297 WeakPolarHBondContact CD1-O 3.34Å; L289-W297 HydrophobicContact CB-CB 3.9Å; L289-W297 HydrophobicContact CD1-CB 4.38Å; L289-W297 PolarHBondContact N-O 3.39Å; L292-W297 HydrophobicContact CB-CB 4.2Å; L292-W297 HydrophobicContact CB-CG 3.91Å; L292-W297 HydrophobicContact CD1-CB 3.74Å; L292-W297 HydrophobicContact CD1-CD2 3.71Å; L292-W297 HydrophobicContact CD1-CE3 4.22Å; L292-W297 HydrophobicContact CD1-CG 3.49Å; L292-W297 VanDerWaalsContact CD1-CG 3.49Å; L292-W297 HydrophobicContact CG-CG 4.36Å; H294-W297 AromaticContact CD2-CD1 3.77Å; H294-W297 AromaticContact CD2-NE1 3.66Å; H294-W297 AromaticContact CE1-CD1 3.41Å; H294-W297 VanDerWaalsContact CE1-CD1 3.41Å; H294-W297 AromaticContact CE1-NE1 3.72Å; H294-W297 AromaticContact NE2-CD1 3.23Å; H294-W297 AromaticContact NE2-CE2 3.95Å; H294-W297 AromaticContact NE2-NE1 3.07Å; H294-W297 PolarHBondContact NE2-NE1 2.96Å; W297-L309 HydrophobicContact CE3-CB 4.37Å; W297-L309 HydrophobicContact CZ3-CB 4.04Å; W297-W310 VanDerWaalsContact CA-O 3.31Å; W297-W310 WeakPolarHBondContact CA-O 3.49Å; W297-D311 HydrophobicContact CD2-CB 4.3Å; W297-D311 HydrophobicContact CE3-CB 4.33Å; W297-D311 HydrophobicContact CH2-CB 3.9Å; W297-D311 HydrophobicContact CZ2-CB 3.82Å; W297-D311 HydrophobicContact CZ3-CB 4.13Å; W297-K385 HydrophobicContact CH2-CB 3.8Å; W297-K385 HydrophobicContact CH2-CG 3.7Å; W297-K385 HydrophobicContact CZ3-CB 3.88Å; W297-K385 HydrophobicContact CZ3-CG 3.99Å; W297-L425 HydrophobicContact CH2-CD2 4.16Å
298L96.6Very high93.3Very high0 Ų025.1 Ų25.10%014%0.14CC..EExtended strand (participates in β ladder)trans-126.5130.4-179.1-177.775.5000109.2A251 V259 L261 I276 A286 F288 T300 L309 W310 L312A251-L298 HydrophobicContact CB-CD1 3.77Å; A251-L298 HydrophobicContact CB-CD2 4.34Å; V259-L298 HydrophobicContact CG1-CD2 4.06Å; L261-L298 HydrophobicContact CD2-CD2 4.39Å; I276-L298 HydrophobicContact CD1-CD2 4.39Å; A286-L298 HydrophobicContact CB-CD1 4.28Å; F288-L298 HydrophobicContact CD1-CB 4.31Å; F288-L298 HydrophobicContact CD1-CD1 3.99Å; F288-L298 HydrophobicContact CD2-CD1 4.26Å; F288-L298 HydrophobicContact CE1-CB 4.28Å; F288-L298 HydrophobicContact CE1-CD1 3.97Å; F288-L298 HydrophobicContact CE2-CD1 4.26Å; F288-L298 HydrophobicContact CG-CD1 4.13Å; F288-L298 HydrophobicContact CZ-CD1 4.11Å; L298-T300 HydrophobicContact CD2-CG2 3.8Å; L298-T300 HydrophobicContact CG-CG2 3.97Å; L298-L309 CarbonylContact O-C 3.56Å; L298-L309 WeakPolarHBondContact O-CA 3.47Å; L298-W310 HydrophobicContact CB-CB 4.27Å; L298-W310 PolarHBondContact N-O 3.26Å; L298-W310 PolarHBondContact O-N 2.93Å; L298-L312 HydrophobicContact CB-CD1 4.18Å; L298-L312 HydrophobicContact CD2-CD1 4.18Å
299A97.8Very high93.2Very high0 Ų024.1 Ų24.10%014%0.136CC..EExtended strand (participates in β ladder)trans-98.7137.616500000109.8A286 H287 L289 A308 L309 V397 P399 L408A286-A299 CarbonylContact C-O 3.59Å; A286-A299 WeakPolarHBondContact CA-O 3.43Å; H287-A299 PolarHBondContact N-O 3.49Å; H287-A299 PolarHBondContact O-N 3.3Å; L289-A299 HydrophobicContact CD1-CB 3.74Å; L289-A299 VanDerWaalsContact CD1-N 3.29Å; A299-A308 CarbonylContact C-O 3.53Å; A299-A308 WeakPolarHBondContact CA-O 3.46Å; A299-L309 HydrophobicContact CB-CD2 3.64Å; A299-V397 HydrophobicContact CB-CG1 3.96Å; A299-P399 HydrophobicContact CB-CG 4.32Å; A299-L408 HydrophobicContact CB-CD1 4.43Å; A299-L408 HydrophobicContact CB-CD2 3.9Å
300T98.5Very high93.2Very high0 Ų025 Ų250%014%0.139CC..EExtended strand (participates in β ladder)trans-128.2142.3175.967.80000110.4V259 H279 Q285 A286 L298 V307 A308 W310V259-T300 HydrophobicContact CG2-CG2 3.76Å; H279-T300 WeakPolarHBondContact NE2-CB 3.41Å; H279-T300 PolarHBondContact NE2-OG1 3.21Å; Q285-T300 VanDerWaalsContact O-CA 3.25Å; Q285-T300 WeakPolarHBondContact O-CA 3.42Å; A286-T300 HydrophobicContact CB-CG2 4.35Å; L298-T300 HydrophobicContact CD2-CG2 3.8Å; L298-T300 HydrophobicContact CG-CG2 3.97Å; T300-V307 WeakPolarHBondContact O-CA 3.22Å; T300-A308 PolarHBondContact N-O 2.89Å; T300-A308 PolarHBondContact O-N 2.87Å; T300-W310 PolarHBondContact OG1-NE1 3.48Å
301G98.3Very high93.5Very high0 Ų023.6 Ų23.60%013%0.126CC..EExtended strand (participates in β ladder)trans-125.5148.2172.600000109.8H279 S284 Q285H279-G301 VanDerWaalsContact CE1-C 3.5Å; S284-G301 PolarHBondContact N-O 3.08Å; S284-G301 PolarHBondContact OG-O 3.27Å; S284-G301 VanDerWaalsContact OG-O 3.13Å; Q285-G301 PolarHBondContact N-O 2.78Å; Q285-G301 VanDerWaalsContact N-O 3.15Å; Q285-G301 PolarHBondContact O-N 3.19Å
302G97.8Very high93.7Very high0 Ų021.5 Ų21.50%012%0.117CC..EExtended strand (participates in β ladder)trans-139.5166.7-177.400000114.6H279 G282 D304 G305 M306 V394H279-G302 PolarHBondContact CE1-N 3.33Å; H279-G302 VanDerWaalsContact CE1-N 3.33Å; G282-G302 WeakPolarHBondContact O-CA 3.21Å; G302-D304 PolarHBondContact O-N 3.5Å; G302-G305 PolarHBondContact O-N 3.26Å; G302-G305 VanDerWaalsContact O-N 3.07Å; G302-M306 PolarHBondContact N-O 2.82Å; G302-V394 PolarHBondContact O-N 3.1Å
303N97.5Very high93.7Very high37 Ų3722.4 Ų22.420%0.19813%0.125CC..THydrogen-bonded Turntrans-70-7.2175.1-67.3-14.2000112.6Q281 G282Q281-N303 HydrophobicContact CB-CB 4Å; Q281-N303 PolarHBondContact OE1-O 3.33Å; G282-N303 PolarHBondContact O-N 2.78Å
304D96.4Very high93.8Very high35 Ų3524.3 Ų24.319%0.18712%0.123CC..THydrogen-bonded Turntrans-83.93.7169.561.6-1.4000113.6H279 S280 Q281 G302 M306H279-D304 WeakPolarHBondContact CA-OD2 3.32Å; H279-D304 WeakPolarHBondContact CB-OD2 3.39Å; H279-D304 IonicContact CE1-OD1 3.13Å; H279-D304 IonicContact CG-OD1 2.74Å; H279-D304 IonicContact CG-OD2 3.45Å; H279-D304 IonicContact ND1-OD1 3.1Å; H279-D304 PolarHBondContact ND1-OD1 3.33Å; H279-D304 IonicContact ND1-OD2 2.89Å; S280-D304 PolarHBondContact N-OD2 2.92Å; S280-D304 WeakPolarHBondContact OG-CB 3.47Å; S280-D304 PolarHBondContact OG-OD2 3.25Å; Q281-D304 HydrophobicContact CB-CB 4.09Å; Q281-D304 HydrophobicContact CG-CB 4.09Å; G302-D304 PolarHBondContact O-N 3.5Å; D304-M306 PolarHBondContact O-N 3.48Å; D304-M306 WeakPolarHBondContact OD1-CB 3.19Å; D304-M306 PolarHBondContact OD1-N 2.84Å
305G96.4Very high93.6Very high2 Ų226.4 Ų26.42%0.02114%0.135CC..SBendtrans67.821.2179.600000113.9G302 H390 G391 D392G302-G305 PolarHBondContact O-N 3.26Å; G302-G305 VanDerWaalsContact O-N 3.07Å; G305-H390 WeakPolarHBondContact O-CB 3.38Å; G305-H390 PolarHBondContact O-N 2.98Å; G305-G391 PolarHBondContact O-N 2.85Å; G305-D392 WeakPolarHBondContact CA-O 3.32Å
306M97.2Very high92.9Very high31 Ų3125.7 Ų25.715%0.15313%0.131CC..EExtended strand (participates in β ladder)trans-101.1147.6174.4-61.3-64.2-69.500110.6H279 G302 D304 S387 S389H279-M306 PolarHBondContact CE1-O 3.01Å; G302-M306 PolarHBondContact N-O 2.82Å; D304-M306 PolarHBondContact O-N 3.48Å; D304-M306 WeakPolarHBondContact OD1-CB 3.19Å; D304-M306 PolarHBondContact OD1-N 2.84Å; M306-S387 WeakPolarHBondContact CE-OG 3.41Å; M306-S389 VanDerWaalsContact SD-CA 3.55Å
307V97.7Very high92.2Very high0 Ų023.9 Ų23.90%013%0.125CC..EExtended strand (participates in β ladder)trans-118.3139.3165.6177.20000108T300 S387 F388 H390 V394 L408 V410T300-V307 WeakPolarHBondContact O-CA 3.22Å; V307-S387 WeakPolarHBondContact O-CA 3.49Å; V307-S387 PolarHBondContact O-OG 2.64Å; V307-F388 HydrophobicContact CB-CD2 4.23Å; V307-F388 HydrophobicContact CB-CE1 4.07Å; V307-F388 HydrophobicContact CB-CE2 3.64Å; V307-F388 HydrophobicContact CB-CZ 3.56Å; V307-F388 HydrophobicContact CG1-CE1 3.88Å; V307-F388 HydrophobicContact CG1-CE2 4.1Å; V307-F388 HydrophobicContact CG1-CZ 3.48Å; V307-F388 VanDerWaalsContact CG1-CZ 3.48Å; V307-F388 HydrophobicContact CG2-CE2 4.13Å; V307-F388 HydrophobicContact CG2-CZ 4.33Å; V307-F388 PolarHBondContact N-O 3.49Å; V307-F388 PolarHBondContact O-N 3.45Å; V307-H390 HydrophobicContact CG2-CB 4.28Å; V307-V394 HydrophobicContact CG2-CG2 3.83Å; V307-L408 HydrophobicContact CG1-CD1 4.03Å; V307-V410 HydrophobicContact CG2-CG1 4.3Å; V307-V410 HydrophobicContact CG2-CG2 4.32Å
308A96.1Very high90.7Very high2 Ų225.1 Ų25.12%0.01713%0.133CC..EExtended strand (participates in β ladder)trans-136.4146.118000000112.1A299 T300 W310 P384 L386A299-A308 CarbonylContact C-O 3.53Å; A299-A308 WeakPolarHBondContact CA-O 3.46Å; T300-A308 PolarHBondContact N-O 2.89Å; T300-A308 PolarHBondContact O-N 2.87Å; A308-W310 HydrophobicContact CB-CZ2 4.05Å; A308-P384 HydrophobicContact CB-CB 4.05Å; A308-L386 CarbonylContact C-O 3.58Å; A308-L386 WeakPolarHBondContact CA-O 3.5Å
309L95.4Very high88.6Confident0 Ų027.9 Ų27.90%015%0.15CC..EExtended strand (participates in β ladder)trans-115.4133173.9-71.6179.5000110.8L289 W297 L298 A299 P384 K385 L386 L408 L422 L425L289-L309 HydrophobicContact CD1-CD2 4.24Å; L289-L309 HydrophobicContact CD2-CD2 4.26Å; W297-L309 HydrophobicContact CE3-CB 4.37Å; W297-L309 HydrophobicContact CZ3-CB 4.04Å; L298-L309 CarbonylContact O-C 3.56Å; L298-L309 WeakPolarHBondContact O-CA 3.47Å; A299-L309 HydrophobicContact CB-CD2 3.64Å; L309-P384 CarbonylContact O-C 3.56Å; L309-P384 WeakPolarHBondContact O-CA 3.38Å; L309-P384 WeakPolarHBondContact O-CB 3.49Å; L309-K385 PolarHBondContact O-N 3.25Å; L309-L386 HydrophobicContact CB-CB 4.25Å; L309-L386 HydrophobicContact CD1-CB 4.49Å; L309-L386 HydrophobicContact CD1-CD2 4.14Å; L309-L386 PolarHBondContact N-O 2.79Å; L309-L386 PolarHBondContact O-N 3.13Å; L309-L408 HydrophobicContact CD1-CD1 4.47Å; L309-L408 HydrophobicContact CD2-CD1 4.01Å; L309-L408 HydrophobicContact CG-CD1 4.31Å; L309-L422 HydrophobicContact CD1-CD1 3.74Å; L309-L422 HydrophobicContact CD1-CD2 3.6Å; L309-L422 HydrophobicContact CD1-CG 4.26Å; L309-L422 HydrophobicContact CD2-CD1 4.42Å; L309-L425 HydrophobicContact CD1-CD1 3.51Å
310W94.6Very high86Confident18 Ų1832.4 Ų32.47%0.06818%0.178CC..EExtended strand (participates in β ladder)trans-123.9126-174.4-48.679.6000109.7I276 A278 W297 L298 T300 A308 L312 P384I276-W310 HydrophobicContact CD1-CD2 3.63Å; I276-W310 HydrophobicContact CD1-CE3 3.75Å; I276-W310 HydrophobicContact CD1-CG 4.11Å; I276-W310 HydrophobicContact CD1-CH2 4.28Å; I276-W310 HydrophobicContact CD1-CZ2 4.2Å; I276-W310 HydrophobicContact CD1-CZ3 4.06Å; A278-W310 HydrophobicContact CB-CH2 4.29Å; A278-W310 HydrophobicContact CB-CZ2 3.58Å; W297-W310 VanDerWaalsContact CA-O 3.31Å; W297-W310 WeakPolarHBondContact CA-O 3.49Å; L298-W310 HydrophobicContact CB-CB 4.27Å; L298-W310 PolarHBondContact N-O 3.26Å; L298-W310 PolarHBondContact O-N 2.93Å; T300-W310 PolarHBondContact OG1-NE1 3.48Å; A308-W310 HydrophobicContact CB-CZ2 4.05Å; W310-L312 HydrophobicContact CB-CD2 4.06Å; W310-L312 HydrophobicContact CB-CG 4.14Å; W310-P384 HydrophobicContact CD2-CB 3.99Å; W310-P384 HydrophobicContact CE3-CB 4.04Å; W310-P384 HydrophobicContact CH2-CB 4.14Å; W310-P384 HydrophobicContact CH2-CG 4.19Å; W310-P384 HydrophobicContact CZ2-CB 4.05Å; W310-P384 HydrophobicContact CZ2-CG 4.36Å; W310-P384 HydrophobicContact CZ3-CB 4.13Å; W310-P384 HydrophobicContact CZ3-CG 4.41Å
311D92Very high82.9Confident46 Ų4639 Ų3925%0.24621%0.209CC..EExtended strand (participates in β ladder)trans-94.7104.7167.1169.11.2000108H294 W297 S313 K385H294-D311 IonicContact CE1-OD1 2.69Å; H294-D311 PolarHBondContact CE1-OD1 2.92Å; H294-D311 VanDerWaalsContact CE1-OD1 3.27Å; H294-D311 IonicContact NE2-OD1 3.69Å; H294-D311 PolarHBondContact NE2-OD1 2.8Å; W297-D311 HydrophobicContact CD2-CB 4.3Å; W297-D311 HydrophobicContact CE3-CB 4.33Å; W297-D311 HydrophobicContact CH2-CB 3.9Å; W297-D311 HydrophobicContact CZ2-CB 3.82Å; W297-D311 HydrophobicContact CZ3-CB 4.13Å; D311-S313 WeakPolarHBondContact OD1-CB 3.35Å; D311-S313 PolarHBondContact OD1-N 2.54Å; D311-S313 PolarHBondContact OD1-OG 3.49Å; D311-K385 HydrophobicContact CB-CD 4.13Å; D311-K385 HydrophobicContact CB-CG 3.54Å; D311-K385 WeakPolarHBondContact OD2-CE 3.22Å; D311-K385 IonicContact OD2-NZ 3.27Å; D311-K385 PolarHBondContact OD2-NZ 3.08Å
312L90.8Very high79.7Confident11 Ų1145.8 Ų45.86%0.05825%0.245CC..  trans-100.422.5-179.8-50.6172.6000111.6L261 Y296 L298 W310 Q314 N315 P316 V318L261-L312 HydrophobicContact CD1-CD1 3.85Å; L261-L312 HydrophobicContact CD2-CD1 4.07Å; Y296-L312 WeakPolarHBondContact O-CB 3.3Å; Y296-L312 PolarHBondContact O-N 3.32Å; L298-L312 HydrophobicContact CB-CD1 4.18Å; L298-L312 HydrophobicContact CD2-CD1 4.18Å; W310-L312 HydrophobicContact CB-CD2 4.06Å; W310-L312 HydrophobicContact CB-CG 4.14Å; L312-Q314 VanDerWaalsContact C-N 3.33Å; L312-Q314 PolarHBondContact O-N 2.72Å; L312-N315 CarbonylContact O-C 3.56Å; L312-N315 VanDerWaalsContact O-C 3.28Å; L312-N315 PolarHBondContact O-N 3.44Å; L312-P316 WeakPolarHBondContact O-CA 3.46Å; L312-P316 WeakPolarHBondContact O-CB 3.13Å; L312-P316 WeakPolarHBondContact O-CD 3.45Å; L312-V318 HydrophobicContact CD2-CG2 4.25Å
313S87.1Confident76.6Confident37 Ų3755.7 Ų55.726%0.25929%0.288SS..SBendtrans-59.8-41-177.555.10000113.6D311D311-S313 WeakPolarHBondContact OD1-CB 3.35Å; D311-S313 PolarHBondContact OD1-N 2.54Å; D311-S313 PolarHBondContact OD1-OG 3.49Å
314Q82.5Confident73.4Confident163 Ų16357 Ų5776%0.76231%0.31SS*.SBendtrans-76.2-42-177.8-59.2-58.1-42.900111.5L312L312-Q314 VanDerWaalsContact C-N 3.33Å; L312-Q314 PolarHBondContact O-N 2.72Å
315N80.9Confident70.2Confident80 Ų8064.1 Ų64.143%0.42834%0.339SS..  trans-134.278.8-178-74.7-40.9000110.2L312 V317L312-N315 CarbonylContact O-C 3.56Å; L312-N315 VanDerWaalsContact O-C 3.28Å; L312-N315 PolarHBondContact O-N 3.44Å; N315-V317 PolarHBondContact O-N 2.81Å; N315-V317 VanDerWaalsContact O-N 3.13Å
316P71.5Confident67Low20 Ų2070 Ų7013%0.1338%0.377CS..SBendtrans-67.7-13-176.724.7-34.8000113.8V249 Y296 L312V249-P316 HydrophobicContact CG2-CB 4.24Å; Y296-P316 HydrophobicContact CD1-CB 3.92Å; Y296-P316 HydrophobicContact CD2-CB 4.28Å; Y296-P316 HydrophobicContact CE1-CB 4.07Å; Y296-P316 HydrophobicContact CE2-CB 4.39Å; Y296-P316 HydrophobicContact CG-CB 4.03Å; L312-P316 WeakPolarHBondContact O-CA 3.46Å; L312-P316 WeakPolarHBondContact O-CB 3.13Å; L312-P316 WeakPolarHBondContact O-CD 3.45Å
317V76.1Confident63.8Low7 Ų777.8 Ų77.84%0.04241%0.413CS..SBendtrans-128110.5161.71790000106R263 R272 Q273 N315 T319R263-V317 HydrophobicContact CB-CG2 3.56Å; R272-V317 HydrophobicContact CB-CG1 4.15Å; Q273-V317 VanDerWaalsContact C-CG1 3.41Å; N315-V317 PolarHBondContact O-N 2.81Å; N315-V317 VanDerWaalsContact O-N 3.13Å; V317-T319 PolarHBondContact O-N 3.02Å
318V62.8Low60.7Low38 Ų3882.4 Ų82.423%0.2345%0.451CS..  trans-79.598.7177.8-1770000107.9L261 G274 A275 I276 L312L261-V318 HydrophobicContact CD1-CG2 4.25Å; G274-V318 VanDerWaalsContact CA-O 3.32Å; G274-V318 WeakPolarHBondContact CA-O 3.46Å; A275-V318 PolarHBondContact N-O 2.91Å; I276-V318 HydrophobicContact CG2-CB 3.89Å; I276-V318 HydrophobicContact CG2-CG1 4.26Å; I276-V318 HydrophobicContact CG2-CG2 3.81Å; L312-V318 HydrophobicContact CD2-CG2 4.25Å
319T53.1Low57.5Low59 Ų5986 Ų8636%0.36248%0.481SS..PPolyproline II helixtrans-80124.5162.452.10000107.2V317 E321V317-T319 PolarHBondContact O-N 3.02Å; T319-E321 PolarHBondContact O-N 3.4Å
320V42.4Very low54.4Low94 Ų9492.1 Ų92.157%0.5752%0.521SS*.PPolyproline II helixtrans-56.7116.3167.1-179.50000106.7D322V320-D322 PolarHBondContact O-N 2.9Å
321E34.2Very low51.3Low140 Ų14097.6 Ų97.665%0.65456%0.556SS**PPolyproline II helixtrans-62.3124-175.9-75.1-173.9158.800110.6T319 K323T319-E321 PolarHBondContact O-N 3.4Å; E321-K323 PolarHBondContact O-N 3.38Å
322D31.7Very low48.3Very low142 Ų142104 Ų10476%0.75958%0.584SS**  trans-61.8115.3165.1-167.216.5000107.6V320 G324V320-D322 PolarHBondContact O-N 2.9Å; D322-G324 PolarHBondContact O-N 3.13Å
323K31.3Very low45.4Very low207 Ų207115.3 Ų115.390%0.963%0.626SS**  trans-6887.8169.7-77.9-171.2176.9-177.10108.2E321E321-K323 PolarHBondContact O-N 3.38Å
324G30.3Very low42.6Very low64 Ų64124.8 Ų124.866%0.6666%0.656SS**  trans28.5106.1161.700000118.1D322D322-G324 PolarHBondContact O-N 3.13Å
325K29.3Very low40Very low185 Ų185128.3 Ų128.380%0.80466%0.662SS**  trans-91130.2140.6-82.5178.8179.6170.50109Q327K325-Q327 PolarHBondContact O-N 2.89Å
326P29.7Very low37.6Very low126 Ų126130.4 Ų130.482%0.81868%0.681SS**  trans-61.2131.3174.223.5-29.8000109.6A328P326-A328 PolarHBondContact O-N 3.16Å; P326-A328 VanDerWaalsContact O-N 3.11Å
327Q29.6Very low35.6Very low194 Ų194137.2 Ų137.291%0.90772%0.716SS**  trans-57.2115.4172.9-80.9178.5-6.500109.3K325 A329K325-Q327 PolarHBondContact O-N 2.89Å; Q327-A329 PolarHBondContact O-N 2.6Å
328A32.5Very low33.3Very low97 Ų97141.7 Ų141.780%0.80275%0.753SS**  trans-68.7124.8165.300000108.7P326P326-A328 PolarHBondContact O-N 3.16Å; P326-A328 VanDerWaalsContact O-N 3.11Å
329A30.7Very low31.7Very low78 Ų78151.6 Ų151.665%0.64579%0.787SS**  trans-51.9150.6175.900000112Q327 V331Q327-A329 PolarHBondContact O-N 2.6Å; A329-V331 PolarHBondContact O-N 2.9Å
330P28.7Very low30.6Very low129 Ų129153.1 Ų153.184%0.83881%0.805SS**  trans-65.5110.3-174.725.5-32.1000110.9H332P330-H332 PolarHBondContact O-N 2.79Å
331V30.2Very low30Very low132 Ų132158.7 Ų158.780%0.882%0.822SS**  trans-71.5116170.3178.90000108.4A329 R333A329-V331 PolarHBondContact O-N 2.9Å; V331-R333 PolarHBondContact O-N 2.89Å
332H30Very low29.7Very low182 Ų182157 Ų15784%0.84383%0.832SS**  trans-50.1108169.8-86.7-69.6000110.9P330 R334P330-H332 PolarHBondContact O-N 2.79Å; H332-R334 PolarHBondContact O-N 2.75Å
333R29.5Very low29.5Very low247 Ų247160 Ų16093%0.93284%0.838SS**  trans-69.699.7168.4-85.2-176.2173178.5-1109.5V331 R335V331-R333 PolarHBondContact O-N 2.89Å; R333-R335 PolarHBondContact O-N 3.06Å
334R28.4Very low29.3Very low236 Ų236158.8 Ų158.889%0.89184%0.84SS**PPolyproline II helixtrans-63126.7158.8-83.6-179.9159.6179.1-5.1109H332H332-R334 PolarHBondContact O-N 2.75Å
335R26.4Very low29.1Very low237 Ų237164.6 Ų164.689%0.89485%0.85SS**PPolyproline II helixtrans-62.2135.4170.3-72.8179.2172.2-178.5-2.7110.2R333R333-R335 PolarHBondContact O-N 3.06Å
336P31.6Very low29.1Very low125 Ų125160.8 Ų160.881%0.81285%0.853SS**PPolyproline II helixtrans-92.5130.2157.7-0.720.5000110.1
337N28.5Very low28.9Very low162 Ų162164 Ų16487%0.86686%0.857SS**PPolyproline II helixtrans-64.2147.4172.6-81.9-25.3000112.1
338A28.1Very low28.8Very low101 Ų101159.7 Ų159.784%0.83586%0.855SS**PPolyproline II helixtrans-68.3137.4172.100000112.4
339R30.5Very low28.5Very low247 Ų247164.6 Ų164.693%0.93286%0.858SS**  trans-157.7120.3145.6-129.6175.9-179.6-178.3-0.7113.5
340A29.6Very low28.8Very low90 Ų90166 Ų16674%0.74486%0.861SS**  trans19.7126.1150.100000123.7
341K28.6Very low28.8Very low211 Ų211168.5 Ų168.592%0.91786%0.861SS**  trans29125.7131.1-71.5-179.1176.21760120.6
342A28.2Very low28.6Very low105 Ų105171 Ų17187%0.86887%0.865SS**  -158137.3124.700000111.5
343K27.3Very low28.3Very low206 Ų206166.2 Ų166.290%0.89686%0.856SS**  trans-78.7146.8172.2-77.9175.2170.4-179.60110.1
344L28.7Very low28.1Very low180 Ų180163.6 Ų163.694%0.94285%0.851SS**  trans-161.1130.9138-107.7147.4000110.6
345Q25.1Very low28Very low186 Ų186160.8 Ų160.887%0.86985%0.848SS**  trans-82.4147.6173.1-70166.5-31.300109.8
346A29.1Very low27.9Very low105 Ų105157.8 Ų157.887%0.86885%0.845SS**  trans-169.4136.9136.300000111.1
347Q25.8Very low27.7Very low193 Ų193158.6 Ų158.690%0.90285%0.847SS**  trans-78.5153.5174.7-67.6163.5-33.200111.4
348A27.3Very low27.5Very low104 Ų104160.7 Ų160.786%0.8685%0.849SS**  147.9129.1129.500000113
349K25.4Very low27.4Very low200 Ų200165.8 Ų165.887%0.8785%0.852SS**  trans-102.8-178.6162.1-101.3-175.1179.6-178.80107.2
350P38.7Very low27.1Very low108 Ų108162.7 Ų162.770%0.70185%0.848SS**  cis-136.5175.6-35.836.4-19.2000112.4
351Q28.1Very low26.8Very low182 Ų182170.2 Ų170.285%0.8586%0.857SS**  trans175.7113.9147.4-98.9162.617.400108.3
352Q24.8Very low26.6Very low185 Ų185168.5 Ų168.586%0.86485%0.852SS**  81.8119.386.8-98.8-171.4-3.200116.1
353A25.4Very low26.4Very low80 Ų80172 Ų17266%0.66185%0.851SS**  trans87.4121137.400000122.1
354K24.8Very low26.3Very low192 Ų192167.8 Ų167.884%0.83584%0.842SS**  trans70.3142.2143.3-64176177.6-172.80115.2
355E26.3Very low26.1Very low178 Ų178168.1 Ų168.183%0.83284%0.839SS**  cis-166.4168.242.1-149.2160.2-144.700110
356E25Very low26Very low174 Ų174168.4 Ų168.481%0.81384%0.84SS**  trans-67.3151.4-173.3-63.2158.2156.200114.2
357T26.3Very low25.7Very low141 Ų141166.9 Ų166.987%0.86583%0.834SS**  -169.3115.6118.610.30000111.4
358K24.8Very low25.6Very low207 Ų207163.1 Ų163.190%0.983%0.83SS**  trans-66.5136159.2-88.3175.2168.1179.90108.9
359K26.6Very low25.5Very low208 Ų208163 Ų16390%0.90482%0.822SS**  trans-128.5123.6153.7-101.8-175177.7179.70109.1
360E23.1Very low25.5Very low181 Ų181159.5 Ų159.585%0.84682%0.818SS**  trans-61.4143.3173.1-65.6157.3157.200111
361R24.1Very low24.8Very low249 Ų249162.3 Ų162.394%0.9483%0.827SS**  trans-142.7113.2144.7-82.3-167.4173.5177.5-4.3107.9
362E23.6Very low24.7Very low174 Ų174162.1 Ų162.181%0.81383%0.826SS**  trans-74.7175163.7-69.3-179.9135.400110.8
363E23.5Very low24.7Very low178 Ų178158.4 Ų158.483%0.83282%0.82SS**  trans83.3130161.3-73.2-171.8-175.300115.4
364V25.4Very low24.8Very low119 Ų119160.9 Ų160.972%0.72183%0.829SS**  cis-154.314819.51730000109.7
365E24.4Very low24.7Very low186 Ų186155.1 Ų155.187%0.86983%0.825SS**  trans-67.8130163.5-70.4-179.5140.500112.5
366E24.5Very low24.7Very low193 Ų193153.5 Ų153.590%0.90283%0.828SS**  trans-131.6117.7152-80.9-170.8163.300109.8
367G22.2Very low24.9Very low72 Ų72154.3 Ų154.374%0.74283%0.831SS**  trans-87.3161.3172.100000112.7
368S23.4Very low25Very low115 Ų115156.1 Ų156.180%0.80483%0.83SS**  trans-175.4141.5139.941.90000113
369S24.7Very low25.2Very low101 Ų101150.9 Ų150.971%0.70683%0.825SS**  trans49.3105.3153.755.10000118.1
370V26.4Very low25.6Very low127 Ų127146.1 Ų146.177%0.7781%0.809SS**  44.190.871.1-167.20000112.2Q372V370-Q372 HydrophobicContact CG1-CG 4.28Å
371D24.4Very low26.5Very low166 Ų166147 Ų14789%0.88881%0.81SS**  trans-123.5112.3155.2-137.8-4.6000107.4
372Q25.4Very low28.4Very low178 Ų178140.1 Ų140.183%0.83280%0.8SS**  trans-93.9118.4176.3-74.2-178.5-1300107.9V370V370-Q372 HydrophobicContact CG1-CG 4.28Å
373S25.1Very low31.1Very low107 Ų107134.2 Ų134.275%0.74879%0.787SS**  trans-124.2137.4157.555.40000109
374P26.8Very low34.3Very low132 Ų132128.2 Ų128.286%0.85776%0.763SS**  trans-71.3139.6-156.227.7-33.2000112.4
375G23.2Very low37.4Very low72 Ų72128.7 Ų128.774%0.74276%0.755SS**  trans-66.8136.2-176.600000113.7E377G375-E377 VanDerWaalsContact C-N 3.3Å; G375-E377 PolarHBondContact O-N 2.6Å
376T24.9Very low40.6Very low144 Ų144121.4 Ų121.488%0.88372%0.722SS**  trans-73.687148.142.20000108.4E378T376-E378 VanDerWaalsContact C-N 3.3Å; T376-E378 PolarHBondContact O-N 2.75Å
377E30.9Very low43.9Very low190 Ų190114 Ų11489%0.88869%0.692SS**  trans-76.784.7158-88-170.3151.900108.9G375G375-E377 VanDerWaalsContact C-N 3.3Å; G375-E377 PolarHBondContact O-N 2.6Å
378E27.7Very low47.3Very low179 Ų179110.6 Ų110.684%0.83666%0.657SS**  trans-117.276.1151-80.2-165.8151.600107.8T376 L380T376-E378 VanDerWaalsContact C-N 3.3Å; T376-E378 PolarHBondContact O-N 2.75Å; E378-L380 PolarHBondContact O-N 3.35Å; E378-L380 VanDerWaalsContact O-N 3.13Å
379A29Very low50.8Low98 Ų98107.2 Ų107.281%0.8163%0.633SS**  trans-62110.7164.800000108.4K381A379-K381 PolarHBondContact O-N 2.7Å
380L34.4Very low54.1Low107 Ų107103.5 Ų103.556%0.5660%0.604SS**  trans-53.2131179.2-89.197.5000111.4E378 S382E378-L380 PolarHBondContact O-N 3.35Å; E378-L380 VanDerWaalsContact O-N 3.13Å; L380-S382 VanDerWaalsContact C-N 3.32Å; L380-S382 PolarHBondContact O-N 3.07Å
381K43.4Very low57.3Low199 Ų199100.1 Ų100.187%0.86560%0.595SS**  trans-64.773.9177.8-65.9169.5177.61710112.1A379A379-K381 PolarHBondContact O-N 2.7Å
382S62.2Low60.6Low105 Ų10596.8 Ų96.873%0.73458%0.577SS**  trans-105.634.5-169.874.30000115.5L380L380-S382 VanDerWaalsContact C-N 3.32Å; L380-S382 PolarHBondContact O-N 3.07Å
383G80.8Confident64Low51 Ų5193.2 Ų93.253%0.52656%0.559SS.*SBendtrans-101.2169.117300000111.9
384P90.9Very high67.5Low51 Ų5188.1 Ų88.133%0.33152%0.523SS..  trans-58.1147.517027.6-33.9000109.9A308 L309 W310 L386A308-P384 HydrophobicContact CB-CB 4.05Å; L309-P384 CarbonylContact O-C 3.56Å; L309-P384 WeakPolarHBondContact O-CA 3.38Å; L309-P384 WeakPolarHBondContact O-CB 3.49Å; W310-P384 HydrophobicContact CD2-CB 3.99Å; W310-P384 HydrophobicContact CE3-CB 4.04Å; W310-P384 HydrophobicContact CH2-CB 4.14Å; W310-P384 HydrophobicContact CH2-CG 4.19Å; W310-P384 HydrophobicContact CZ2-CB 4.05Å; W310-P384 HydrophobicContact CZ2-CG 4.36Å; W310-P384 HydrophobicContact CZ3-CB 4.13Å; W310-P384 HydrophobicContact CZ3-CG 4.41Å; P384-L386 VanDerWaalsContact C-N 3.3Å
385K91.1Very high70.8Confident129 Ų12983.2 Ų83.256%0.56149%0.49SS*.SBendtrans-68-36.2174.2-73.3-73.4-170159.20111.4W297 L309 D311W297-K385 HydrophobicContact CH2-CB 3.8Å; W297-K385 HydrophobicContact CH2-CG 3.7Å; W297-K385 HydrophobicContact CZ3-CB 3.88Å; W297-K385 HydrophobicContact CZ3-CG 3.99Å; L309-K385 PolarHBondContact O-N 3.25Å; D311-K385 HydrophobicContact CB-CD 4.13Å; D311-K385 HydrophobicContact CB-CG 3.54Å; D311-K385 WeakPolarHBondContact OD2-CE 3.22Å; D311-K385 IonicContact OD2-NZ 3.27Å; D311-K385 PolarHBondContact OD2-NZ 3.08Å
386L91.8Very high74.4Confident33 Ų3381.7 Ų81.717%0.17346%0.462CS..EExtended strand (participates in β ladder)trans-141.4138.2175.2176.266.6000108.4M35 A308 L309 P384 F388 L425M35-L386 HydrophobicContact CE-CD2 4.32Å; M35-L386 HydrophobicContact SD-CD2 3.97Å; A308-L386 CarbonylContact C-O 3.58Å; A308-L386 WeakPolarHBondContact CA-O 3.5Å; L309-L386 HydrophobicContact CB-CB 4.25Å; L309-L386 HydrophobicContact CD1-CB 4.49Å; L309-L386 HydrophobicContact CD1-CD2 4.14Å; L309-L386 PolarHBondContact N-O 2.79Å; L309-L386 PolarHBondContact O-N 3.13Å; P384-L386 VanDerWaalsContact C-N 3.3Å; L386-F388 HydrophobicContact CD2-CD1 4.04Å; L386-F388 HydrophobicContact CD2-CE1 4.16Å; L386-F388 HydrophobicContact CG-CD1 4.04Å; L386-L425 HydrophobicContact CD2-CD1 4.09Å
387S93.4Very high77.9Confident39 Ų3974.9 Ų74.927%0.27342%0.42SS..EExtended strand (participates in β ladder)trans-142.9138.4167.7-178.90000109M306 V307M306-S387 WeakPolarHBondContact CE-OG 3.41Å; V307-S387 WeakPolarHBondContact O-CA 3.49Å; V307-S387 PolarHBondContact O-OG 2.64Å
388F94.4Very high81.1Confident0 Ų066.4 Ų66.40%038%0.381CS..EExtended strand (participates in β ladder)trans-145.1155.4-177.958.1-91.2000111.1V33 M35 V307 L386 L408 Y420V33-F388 WeakPolarHBondContact O-CA 3.28Å; V33-F388 WeakPolarHBondContact O-CB 3.11Å; M35-F388 HydrophobicContact CB-CB 3.97Å; M35-F388 HydrophobicContact CB-CD1 4.21Å; M35-F388 HydrophobicContact CB-CD2 3.97Å; M35-F388 HydrophobicContact CB-CE2 4.49Å; M35-F388 HydrophobicContact CB-CG 3.8Å; M35-F388 HydrophobicContact SD-CD1 3.84Å; M35-F388 HydrophobicContact SD-CE1 3.71Å; M35-F388 HydrophobicContact SD-CG 4.35Å; M35-F388 HydrophobicContact SD-CZ 4.1Å; V307-F388 HydrophobicContact CB-CD2 4.23Å; V307-F388 HydrophobicContact CB-CE1 4.07Å; V307-F388 HydrophobicContact CB-CE2 3.64Å; V307-F388 HydrophobicContact CB-CZ 3.56Å; V307-F388 HydrophobicContact CG1-CE1 3.88Å; V307-F388 HydrophobicContact CG1-CE2 4.1Å; V307-F388 HydrophobicContact CG1-CZ 3.48Å; V307-F388 VanDerWaalsContact CG1-CZ 3.48Å; V307-F388 HydrophobicContact CG2-CE2 4.13Å; V307-F388 HydrophobicContact CG2-CZ 4.33Å; V307-F388 PolarHBondContact N-O 3.49Å; V307-F388 PolarHBondContact O-N 3.45Å; L386-F388 HydrophobicContact CD2-CD1 4.04Å; L386-F388 HydrophobicContact CD2-CE1 4.16Å; L386-F388 HydrophobicContact CG-CD1 4.04Å; F388-L408 HydrophobicContact CZ-CD1 4.4Å; F388-Y420 HydrophobicContact CD2-CD1 4.19Å; F388-Y420 AromaticContact CD2-CE1 3.84Å; F388-Y420 HydrophobicContact CD2-CE1 3.84Å; F388-Y420 AromaticContact CE2-CD1 3.57Å; F388-Y420 HydrophobicContact CE2-CD1 3.57Å; F388-Y420 AromaticContact CE2-CD2 3.88Å; F388-Y420 HydrophobicContact CE2-CD2 3.88Å; F388-Y420 AromaticContact CE2-CE1 3.41Å; F388-Y420 HydrophobicContact CE2-CE1 3.41Å; F388-Y420 VanDerWaalsContact CE2-CE1 3.41Å; F388-Y420 AromaticContact CE2-CE2 3.77Å; F388-Y420 HydrophobicContact CE2-CE2 3.77Å; F388-Y420 AromaticContact CE2-CG 3.79Å; F388-Y420 HydrophobicContact CE2-CG 3.79Å; F388-Y420 AromaticContact CE2-CZ 3.54Å; F388-Y420 AromaticContact CZ-CD1 3.95Å; F388-Y420 HydrophobicContact CZ-CD1 3.95Å; F388-Y420 HydrophobicContact CZ-CD2 4.01Å; F388-Y420 HydrophobicContact CZ-CE1 4.25Å; F388-Y420 HydrophobicContact CZ-CE2 4.34Å; F388-Y420 AromaticContact CZ-CG 3.81Å; F388-Y420 HydrophobicContact CZ-CG 3.81Å
389S95.4Very high84.3Confident43 Ų4359 Ų5930%0.30135%0.349SS..EExtended strand (participates in β ladder)trans-85.1124.6175.8-174.60000109.8M306M306-S389 VanDerWaalsContact SD-CA 3.55Å
390H95.3Very high87.4Confident24 Ų2455 Ų5511%0.11131%0.314CS..  trans-84.8-33.7169.9-177.617.1000111.5G305 V307 V410 D412 S418 Y420G305-H390 WeakPolarHBondContact O-CB 3.38Å; G305-H390 PolarHBondContact O-N 2.98Å; V307-H390 HydrophobicContact CG2-CB 4.28Å; H390-V410 WeakPolarHBondContact CD2-CG1 3.34Å; H390-V410 WeakPolarHBondContact NE2-CG1 3.26Å; H390-D412 IonicContact CE1-OD2 3.22Å; H390-D412 PolarHBondContact CE1-OD2 3.41Å; H390-D412 WeakPolarHBondContact NE2-CB 3.44Å; H390-D412 IonicContact NE2-OD2 2.88Å; H390-D412 PolarHBondContact NE2-OD2 2.69Å; H390-D412 VanDerWaalsContact NE2-OD2 3.13Å; H390-S418 PolarHBondContact CE1-OG 3.16Å; H390-Y420 PolarHBondContact ND1-OH 2.81Å
391G91.8Very high90.2Very high56 Ų5653.3 Ų53.358%0.57731%0.306SS*.SBendtrans113.9-47.7175.400000113G305G305-G391 PolarHBondContact O-N 2.85Å
392D94.9Very high92.5Very high95 Ų9544.5 Ų44.551%0.50827%0.268SS..SBendtrans-115.9166179.5-80-54.3000112.3G305 V394 D412G305-D392 WeakPolarHBondContact CA-O 3.32Å; D392-V394 PolarHBondContact O-N 3.47Å; D392-D412 HydrophobicContact CB-CB 4.02Å
393K97.1Very high93.8Very high103 Ų10347.5 Ų47.545%0.44826%0.263SS..  trans-54.9127.6178.6-63.5-176179.2177.70110.2N395 D412 Q413K393-N395 PolarHBondContact O-N 2.92Å; K393-D412 VanDerWaalsContact O-CA 3.3Å; K393-D412 WeakPolarHBondContact O-CA 3.45Å; K393-D412 WeakPolarHBondContact O-CB 3.23Å; K393-Q413 HydrophobicContact CB-CG 4.16Å
394V98.1Very high94.2Very high0 Ų047.9 Ų47.90%027%0.267CS..  trans-78.6114.1179.9178.50000109.3S284 G302 V307 D392 V397 V410S284-V394 WeakPolarHBondContact CB-O 3.43Å; S284-V394 PolarHBondContact OG-O 3.23Å; G302-V394 PolarHBondContact O-N 3.1Å; V307-V394 HydrophobicContact CG2-CG2 3.83Å; D392-V394 PolarHBondContact O-N 3.47Å; V394-V397 HydrophobicContact CG1-CG2 3.46Å; V394-V397 VanDerWaalsContact CG1-CG2 3.46Å; V394-V410 HydrophobicContact CG1-CG1 3.8Å; V394-V410 HydrophobicContact CG2-CG1 4.25Å
395N96.9Very high94.2Very high29 Ų2950.2 Ų50.216%0.15527%0.273CS..  trans-81.6-45.3174.5-72.6-4.9000111V48 Q285 K393 A411 D412 Q413V48-N395 PolarHBondContact O-ND2 2.8Å; Q285-N395 WeakPolarHBondContact CG-O 3.38Å; Q285-N395 PolarHBondContact NE2-O 2.84Å; K393-N395 PolarHBondContact O-N 2.92Å; N395-A411 PolarHBondContact N-O 3.4Å; N395-D412 PolarHBondContact ND2-O 3.12Å; N395-Q413 PolarHBondContact ND2-NE2 3.26Å; N395-Q413 PolarHBondContact OD1-NE2 3.06Å
396W98.4Very high94.3Very high41 Ų4145.6 Ų45.616%0.15526%0.256CS..EExtended strand (participates in β ladder)trans-142.2144.1-175.7-157-92.2000111.8L49 C50 V51 V410 A411L49-W396 VanDerWaalsContact O-CE3 3.31Å; C50-W396 HydrophobicContact CB-CD2 4.27Å; C50-W396 HydrophobicContact CB-CE3 4.1Å; C50-W396 HydrophobicContact CB-CH2 4.43Å; C50-W396 HydrophobicContact CB-CZ3 4.18Å; V51-W396 PolarHBondContact O-NE1 3.05Å; W396-V410 WeakPolarHBondContact O-CA 3.48Å; W396-A411 HydrophobicContact CB-CB 3.95Å; W396-A411 PolarHBondContact N-O 3Å; W396-A411 PolarHBondContact O-N 3.31Å
397V98Very high94.5Very high0 Ų044.2 Ų44.20%025%0.25CC..EExtended strand (participates in β ladder)trans-126.2120.5169.9179.40000107.7Q285 H287 A299 V394 L408Q285-V397 HydrophobicContact CB-CB 4.21Å; Q285-V397 HydrophobicContact CB-CG2 4Å; Q285-V397 HydrophobicContact CG-CG2 4.48Å; H287-V397 PolarHBondContact CD2-O 3.42Å; H287-V397 PolarHBondContact NE2-O 3.38Å; A299-V397 HydrophobicContact CB-CG1 3.96Å; V394-V397 HydrophobicContact CG1-CG2 3.46Å; V394-V397 VanDerWaalsContact CG1-CG2 3.46Å; V397-L408 HydrophobicContact CG1-CD2 4.13Å
398C97.4Very high94.6Very high12 Ų1242.4 Ų42.48%0.08124%0.237CC..EExtended strand (participates in β ladder)trans-118.798178.8-174.90000109.4V51 V409V51-C398 HydrophobicContact CB-CB 3.87Å; V51-C398 HydrophobicContact CG1-CB 3.85Å; C398-V409 HydrophobicContact CB-CB 4.32Å; C398-V409 PolarHBondContact N-O 2.8Å; C398-V409 PolarHBondContact O-N 2.82Å
399P95.8Very high94.8Very high25 Ų2542.4 Ų42.416%0.16224%0.237CC..EExtended strand (participates in β ladder)trans-70.4130.2169.8-1327.9000110.9H287 L289 F291 A299 L408H287-P399 HydrophobicContact CB-CG 3.82Å; L289-P399 HydrophobicContact CD1-CB 4.29Å; L289-P399 HydrophobicContact CD1-CG 4.13Å; L289-P399 HydrophobicContact CD2-CB 4.05Å; L289-P399 HydrophobicContact CG-CB 3.64Å; L289-P399 HydrophobicContact CG-CG 4.02Å; F291-P399 HydrophobicContact CE1-CB 3.99Å; F291-P399 HydrophobicContact CZ-CB 3.81Å; A299-P399 HydrophobicContact CB-CG 4.32Å; P399-L408 HydrophobicContact CB-CD2 3.75Å; P399-L408 HydrophobicContact CG-CD2 3.84Å
400T94.3Very high94.9Very high13 Ų1340.3 Ų40.38%0.0822%0.222CC..EExtended strand (participates in β ladder)trans-153.5169.3-177.2-168.50000112.1A53 L61 L402 S407 V409A53-T400 WeakPolarHBondContact CB-OG1 3.45Å; L61-T400 HydrophobicContact CD2-CG2 4.21Å; T400-L402 HydrophobicContact CG2-CD2 3.87Å; T400-L402 HydrophobicContact CG2-CG 3.92Å; T400-S407 PolarHBondContact N-O 2.76Å; T400-S407 PolarHBondContact O-N 3.27Å; T400-V409 HydrophobicContact CG2-CG2 3.98Å
401L92.9Very high95Very high72 Ų7239.2 Ų39.238%0.37722%0.217SC..EExtended strand (participates in β ladder)trans-100.3113.8169.9-68174.4000108.8F291 E405 P406F291-L401 HydrophobicContact CB-CD1 3.93Å; F291-L401 HydrophobicContact CB-CD2 4.02Å; F291-L401 HydrophobicContact CB-CG 4Å; F291-L401 HydrophobicContact CD1-CD2 4.47Å; F291-L401 HydrophobicContact CD1-CG 4.13Å; F291-L401 HydrophobicContact CD2-CD2 3.77Å; F291-L401 HydrophobicContact CD2-CG 4.32Å; F291-L401 HydrophobicContact CE2-CD2 4.38Å; F291-L401 HydrophobicContact CG-CD1 4.37Å; F291-L401 HydrophobicContact CG-CD2 3.83Å; F291-L401 HydrophobicContact CG-CG 3.89Å; L401-E405 WeakPolarHBondContact CA-O 3.39Å; L401-P406 HydrophobicContact CD2-CG 4.06Å
402L92Very high95.3Very high13 Ų1336.9 Ų36.97%0.06819%0.192CC..EExtended strand (participates in β ladder)trans-102116.2172.5-61.8179.2000108.2W40 L61 Q75 T400 G404 E405 V409 V419W40-L402 HydrophobicContact CH2-CD1 4.07Å; W40-L402 HydrophobicContact CH2-CD2 4.04Å; W40-L402 HydrophobicContact CZ2-CD1 3.94Å; L61-L402 HydrophobicContact CD1-CD2 3.56Å; L61-L402 HydrophobicContact CD2-CD2 4.39Å; Q75-L402 HydrophobicContact CB-CD2 4.34Å; T400-L402 HydrophobicContact CG2-CD2 3.87Å; T400-L402 HydrophobicContact CG2-CG 3.92Å; L402-G404 PolarHBondContact O-N 3Å; L402-E405 PolarHBondContact N-O 3.31Å; L402-E405 WeakPolarHBondContact O-CB 3.32Å; L402-E405 PolarHBondContact O-N 2.94Å; L402-V409 HydrophobicContact CD1-CG2 4.32Å; L402-V419 HydrophobicContact CD1-CG1 3.38Å
403R89.6Confident95.3Very high169 Ų16937.1 Ų37.164%0.63819%0.19SC*.THydrogen-bonded Turntrans53.933.3-174.4-62.4175.6163.3-168.6-10113.4Q75 E76 E405Q75-R403 HydrophobicContact CB-CG 4.06Å; E76-R403 VanDerWaalsContact CG-CZ 3.48Å; E76-R403 IonicContact OE1-CZ 3.37Å; E76-R403 IonicContact OE1-NE 3.72Å; E76-R403 PolarHBondContact OE1-NE 2.83Å; E76-R403 IonicContact OE1-NH2 3.99Å; E76-R403 PolarHBondContact OE1-NH2 2.85Å; R403-E405 PolarHBondContact O-N 2.99Å
404G88.3Confident95.3Very high59 Ų5933.4 Ų33.461%0.60818%0.177SC*.THydrogen-bonded Turntrans79.6-0.5-175.900000114.7L402L402-G404 PolarHBondContact O-N 3Å
405E91.2Very high95.3Very high100 Ų10035.2 Ų35.247%0.46719%0.188SC..EExtended strand (participates in β ladder)trans-94.3129.7175.9-63.8-171.1170.800111.5L401 L402 R403 S407L401-E405 WeakPolarHBondContact CA-O 3.39Å; L402-E405 PolarHBondContact N-O 3.31Å; L402-E405 WeakPolarHBondContact O-CB 3.32Å; L402-E405 PolarHBondContact O-N 2.94Å; R403-E405 PolarHBondContact O-N 2.99Å; E405-S407 PolarHBondContact O-N 2.92Å; E405-S407 PolarHBondContact O-OG 3.4Å
406P93.4Very high95.3Very high31 Ų3135.7 Ų35.720%0.20119%0.191CC..EExtended strand (participates in β ladder)trans-49.9124.1169-31.239.4000111.8F291 L292 L401 L422F291-P406 HydrophobicContact CD2-CB 4.15Å; F291-P406 HydrophobicContact CD2-CG 4.27Å; F291-P406 HydrophobicContact CE2-CB 3.83Å; F291-P406 HydrophobicContact CE2-CG 4.44Å; L292-P406 HydrophobicContact CD2-CB 4.09Å; L292-P406 HydrophobicContact CD2-CG 4.07Å; L401-P406 HydrophobicContact CD2-CG 4.06Å; P406-L422 HydrophobicContact CB-CB 3.88Å; P406-L422 WeakPolarHBondContact O-CA 3.37Å; P406-L422 WeakPolarHBondContact O-CB 3.08Å; P406-L422 PolarHBondContact O-N 2.9Å
407S94.8Very high95.3Very high5 Ų533.7 Ų33.74%0.03518%0.183CC..EExtended strand (participates in β ladder)trans-143.7154.6-178.1-62.60000111.5T400 E405 Y420T400-S407 PolarHBondContact N-O 2.76Å; T400-S407 PolarHBondContact O-N 3.27Å; E405-S407 PolarHBondContact O-N 2.92Å; E405-S407 PolarHBondContact O-OG 3.4Å; S407-Y420 CarbonylContact C-O 3.56Å; S407-Y420 VanDerWaalsContact CA-O 3.3Å; S407-Y420 WeakPolarHBondContact CA-O 3.03Å
408L96.6Very high95.3Very high0 Ų033.8 Ų33.80%018%0.184CC..EExtended strand (participates in β ladder)trans-113123.5166.7-64.6175.6000109L289 A299 V307 L309 F388 V397 P399 V410 V419 Y420 L422L289-L408 HydrophobicContact CD2-CD2 4.31Å; A299-L408 HydrophobicContact CB-CD1 4.43Å; A299-L408 HydrophobicContact CB-CD2 3.9Å; V307-L408 HydrophobicContact CG1-CD1 4.03Å; L309-L408 HydrophobicContact CD1-CD1 4.47Å; L309-L408 HydrophobicContact CD2-CD1 4.01Å; L309-L408 HydrophobicContact CG-CD1 4.31Å; F388-L408 HydrophobicContact CZ-CD1 4.4Å; V397-L408 HydrophobicContact CG1-CD2 4.13Å; P399-L408 HydrophobicContact CB-CD2 3.75Å; P399-L408 HydrophobicContact CG-CD2 3.84Å; L408-V410 HydrophobicContact CB-CG2 4.36Å; L408-V419 WeakPolarHBondContact O-CA 3.31Å; L408-Y420 PolarHBondContact N-O 3.49Å; L408-Y420 PolarHBondContact O-N 3.38Å; L408-L422 HydrophobicContact CD1-CD1 4.25Å; L408-L422 HydrophobicContact CD1-CD2 3.99Å; L408-L422 HydrophobicContact CD1-CG 4.5Å; L408-L422 HydrophobicContact CD2-CD1 4.17Å; L408-L422 HydrophobicContact CG-CD1 3.79Å; L408-L422 HydrophobicContact CG-CD2 4.05Å; L408-L422 HydrophobicContact CG-CG 4.06Å
409V97.8Very high95.3Very high0 Ų033.7 Ų33.70%018%0.183CC..EExtended strand (participates in β ladder)trans-97.1126.6166.1-175.50000107.6V51 L61 C398 T400 L402 L417 S418 V419V51-V409 HydrophobicContact CG1-CG1 4.17Å; L61-V409 HydrophobicContact CD2-CB 4.41Å; L61-V409 HydrophobicContact CD2-CG2 3.71Å; C398-V409 HydrophobicContact CB-CB 4.32Å; C398-V409 PolarHBondContact N-O 2.8Å; C398-V409 PolarHBondContact O-N 2.82Å; T400-V409 HydrophobicContact CG2-CG2 3.98Å; L402-V409 HydrophobicContact CD1-CG2 4.32Å; V409-L417 HydrophobicContact CG1-CB 4.03Å; V409-L417 HydrophobicContact CG1-CD1 4.13Å; V409-L417 HydrophobicContact CG1-CD2 4.21Å; V409-L417 HydrophobicContact CG1-CG 4.37Å; V409-S418 CarbonylContact C-O 3.47Å; V409-S418 WeakPolarHBondContact CA-O 3.24Å; V409-V419 HydrophobicContact CG1-CG2 4.35Å; V409-V419 HydrophobicContact CG2-CG1 4.48Å; V409-V419 HydrophobicContact CG2-CG2 4.02Å
410V98.4Very high95.3Very high0 Ų032.7 Ų32.70%018%0.176CC..EExtended strand (participates in β ladder)trans-123.3130.1-174.8-173.30000108.3V307 H390 V394 W396 L408 S418 Y420V307-V410 HydrophobicContact CG2-CG1 4.3Å; V307-V410 HydrophobicContact CG2-CG2 4.32Å; H390-V410 WeakPolarHBondContact CD2-CG1 3.34Å; H390-V410 WeakPolarHBondContact NE2-CG1 3.26Å; V394-V410 HydrophobicContact CG1-CG1 3.8Å; V394-V410 HydrophobicContact CG2-CG1 4.25Å; W396-V410 WeakPolarHBondContact O-CA 3.48Å; L408-V410 HydrophobicContact CB-CG2 4.36Å; V410-S418 PolarHBondContact N-O 3.29Å; V410-S418 PolarHBondContact O-N 3.47Å; V410-Y420 HydrophobicContact CB-CD2 4.49Å; V410-Y420 HydrophobicContact CB-CE2 4.07Å; V410-Y420 HydrophobicContact CG2-CD2 3.79Å; V410-Y420 HydrophobicContact CG2-CE2 3.76Å
411A98.3Very high95.3Very high0 Ų034.3 Ų34.30%019%0.188CC..EExtended strand (participates in β ladder)trans-106141.517000000109.1V48 V51 N395 W396 L417V48-A411 HydrophobicContact CB-CB 3.89Å; V48-A411 HydrophobicContact CG1-CB 3.88Å; V51-A411 HydrophobicContact CG2-CB 4.21Å; N395-A411 PolarHBondContact N-O 3.4Å; W396-A411 HydrophobicContact CB-CB 3.95Å; W396-A411 PolarHBondContact N-O 3Å; W396-A411 PolarHBondContact O-N 3.31Å; A411-L417 HydrophobicContact CB-CD2 3.86Å
412D96.9Very high95.2Very high8 Ų831.1 Ų31.14%0.04317%0.171CC..  trans-126.8-161.7176.757.624.2000109.9H390 D392 K393 N395 S414H390-D412 IonicContact CE1-OD2 3.22Å; H390-D412 PolarHBondContact CE1-OD2 3.41Å; H390-D412 WeakPolarHBondContact NE2-CB 3.44Å; H390-D412 IonicContact NE2-OD2 2.88Å; H390-D412 PolarHBondContact NE2-OD2 2.69Å; H390-D412 VanDerWaalsContact NE2-OD2 3.13Å; D392-D412 HydrophobicContact CB-CB 4.02Å; K393-D412 VanDerWaalsContact O-CA 3.3Å; K393-D412 WeakPolarHBondContact O-CA 3.45Å; K393-D412 WeakPolarHBondContact O-CB 3.23Å; N395-D412 PolarHBondContact ND2-O 3.12Å; D412-S414 PolarHBondContact O-N 3.44Å; D412-S414 VanDerWaalsContact O-N 3.12Å; D412-S414 WeakPolarHBondContact OD1-CA 3.45Å; D412-S414 WeakPolarHBondContact OD1-CB 3.44Å; D412-S414 PolarHBondContact OD1-N 2.71Å; D412-S414 PolarHBondContact OD1-OG 2.78Å
413Q95.6Very high94.8Very high99 Ų9933.4 Ų33.446%0.46319%0.192SC..SBendtrans-72.25.8178.5-61.4-74.8-54.200113.4P47 K393 N395P47-Q413 WeakPolarHBondContact CG-O 3.49Å; K393-Q413 HydrophobicContact CB-CG 4.16Å; N395-Q413 PolarHBondContact ND2-NE2 3.26Å; N395-Q413 PolarHBondContact OD1-NE2 3.06Å
414S97.1Very high94.1Very high25 Ų2529.5 Ų29.518%0.17521%0.205CC..SBendtrans-100.8163.6177.185.80000111.6P47 V48 D412 N416P47-S414 WeakPolarHBondContact CA-O 3.2Å; V48-S414 PolarHBondContact N-O 3.35Å; D412-S414 PolarHBondContact O-N 3.44Å; D412-S414 VanDerWaalsContact O-N 3.12Å; D412-S414 WeakPolarHBondContact OD1-CA 3.45Å; D412-S414 WeakPolarHBondContact OD1-CB 3.44Å; D412-S414 PolarHBondContact OD1-N 2.71Å; D412-S414 PolarHBondContact OD1-OG 2.78Å; S414-N416 PolarHBondContact O-N 2.68Å; S414-N416 PolarHBondContact OG-N 3.15Å
415P97.5Very high93.2Very high38 Ų3831.8 Ų31.825%0.24720%0.202CC..SBendtrans-75.26.5173.831.9-36.8000114H44 T46H44-P415 HydrophobicContact CB-CB 4.1Å; H44-P415 WeakPolarHBondContact O-CB 3.49Å; T46-P415 VanDerWaalsContact O-CA 3.24Å; T46-P415 WeakPolarHBondContact O-CA 3.26Å; T46-P415 VanDerWaalsContact O-CB 3.32Å; T46-P415 WeakPolarHBondContact O-CB 3.25Å
416N97.5Very high93.3Very high39 Ų3928.4 Ų28.421%0.20919%0.189CC..SBendtrans-109159.1-173.1-53.8-57.9000111.8W40 C41 S414W40-N416 WeakPolarHBondContact O-CA 3.39Å; C41-N416 WeakPolarHBondContact CA-OD1 3.41Å; C41-N416 WeakPolarHBondContact CB-OD1 3.28Å; C41-N416 PolarHBondContact SG-OD1 3.39Å; S414-N416 PolarHBondContact O-N 2.68Å; S414-N416 PolarHBondContact OG-N 3.15Å
417L98.2Very high93.2Very high0 Ų028.2 Ų28.20%019%0.188CC..EExtended strand (participates in β ladder)trans-106.4134.5170.1-62.2174.4000110.4Q39 W40 V48 V51 W73 V409 A411Q39-L417 CarbonylContact C-O 3.55Å; Q39-L417 WeakPolarHBondContact CA-O 3.43Å; W40-L417 HydrophobicContact CB-CB 4.19Å; W40-L417 HydrophobicContact CE3-CD1 4.19Å; W40-L417 PolarHBondContact N-O 3.29Å; W40-L417 PolarHBondContact O-N 2.7Å; V48-L417 HydrophobicContact CB-CD2 4.3Å; V48-L417 HydrophobicContact CG1-CD2 3.89Å; V48-L417 HydrophobicContact CG2-CD2 4.36Å; V51-L417 HydrophobicContact CG2-CD2 3.57Å; W73-L417 HydrophobicContact CZ2-CD1 4.08Å; V409-L417 HydrophobicContact CG1-CB 4.03Å; V409-L417 HydrophobicContact CG1-CD1 4.13Å; V409-L417 HydrophobicContact CG1-CD2 4.21Å; V409-L417 HydrophobicContact CG1-CG 4.37Å; A411-L417 HydrophobicContact CB-CD2 3.86Å
418S98Very high93.2Very high1 Ų129.5 Ų29.51%0.00720%0.197CC..EExtended strand (participates in β ladder)trans-99.5126.2171.5-71.50000110.9Q39 H390 V409 V410Q39-S418 PolarHBondContact NE2-OG 2.82Å; H390-S418 PolarHBondContact CE1-OG 3.16Å; V409-S418 CarbonylContact C-O 3.47Å; V409-S418 WeakPolarHBondContact CA-O 3.24Å; V410-S418 PolarHBondContact N-O 3.29Å; V410-S418 PolarHBondContact O-N 3.47Å
419V97.5Very high93Very high10 Ų1031.2 Ų31.26%0.06121%0.208CC..EExtended strand (participates in β ladder)trans-111122.2178.3-176.20000110.8S37 R38 W40 L402 L408 V409S37-V419 CarbonylContact C-O 3.58Å; S37-V419 VanDerWaalsContact CA-O 3.29Å; S37-V419 WeakPolarHBondContact CA-O 3.33Å; R38-V419 HydrophobicContact CB-CB 4.42Å; R38-V419 PolarHBondContact N-O 2.88Å; R38-V419 PolarHBondContact O-N 2.95Å; W40-V419 HydrophobicContact CD2-CG2 3.7Å; W40-V419 VanDerWaalsContact CE2-CG2 3.41Å; W40-V419 HydrophobicContact CE3-CG2 4.27Å; W40-V419 HydrophobicContact CG-CG2 4.15Å; W40-V419 HydrophobicContact CH2-CG2 4.35Å; W40-V419 HydrophobicContact CZ2-CG2 3.79Å; L402-V419 HydrophobicContact CD1-CG1 3.38Å; L408-V419 WeakPolarHBondContact O-CA 3.31Å; V409-V419 HydrophobicContact CG1-CG2 4.35Å; V409-V419 HydrophobicContact CG2-CG1 4.48Å; V409-V419 HydrophobicContact CG2-CG2 4.02Å
420Y96.4Very high92.7Very high5 Ų533.2 Ų33.22%0.0222%0.221CC..EExtended strand (participates in β ladder)trans-111.3122176.8-58.2-89000109.6M35 F388 H390 S407 L408 V410M35-Y420 HydrophobicContact CB-CD1 3.83Å; M35-Y420 HydrophobicContact CB-CE1 4.14Å; M35-Y420 HydrophobicContact CG-CD1 3.89Å; M35-Y420 HydrophobicContact SD-CD1 4.01Å; M35-Y420 HydrophobicContact SD-CG 4.39Å; F388-Y420 HydrophobicContact CD2-CD1 4.19Å; F388-Y420 AromaticContact CD2-CE1 3.84Å; F388-Y420 HydrophobicContact CD2-CE1 3.84Å; F388-Y420 AromaticContact CE2-CD1 3.57Å; F388-Y420 HydrophobicContact CE2-CD1 3.57Å; F388-Y420 AromaticContact CE2-CD2 3.88Å; F388-Y420 HydrophobicContact CE2-CD2 3.88Å; F388-Y420 AromaticContact CE2-CE1 3.41Å; F388-Y420 HydrophobicContact CE2-CE1 3.41Å; F388-Y420 VanDerWaalsContact CE2-CE1 3.41Å; F388-Y420 AromaticContact CE2-CE2 3.77Å; F388-Y420 HydrophobicContact CE2-CE2 3.77Å; F388-Y420 AromaticContact CE2-CG 3.79Å; F388-Y420 HydrophobicContact CE2-CG 3.79Å; F388-Y420 AromaticContact CE2-CZ 3.54Å; F388-Y420 AromaticContact CZ-CD1 3.95Å; F388-Y420 HydrophobicContact CZ-CD1 3.95Å; F388-Y420 HydrophobicContact CZ-CD2 4.01Å; F388-Y420 HydrophobicContact CZ-CE1 4.25Å; F388-Y420 HydrophobicContact CZ-CE2 4.34Å; F388-Y420 AromaticContact CZ-CG 3.81Å; F388-Y420 HydrophobicContact CZ-CG 3.81Å; H390-Y420 PolarHBondContact ND1-OH 2.81Å; S407-Y420 CarbonylContact C-O 3.56Å; S407-Y420 VanDerWaalsContact CA-O 3.3Å; S407-Y420 WeakPolarHBondContact CA-O 3.03Å; L408-Y420 PolarHBondContact N-O 3.49Å; L408-Y420 PolarHBondContact O-N 3.38Å; V410-Y420 HydrophobicContact CB-CD2 4.49Å; V410-Y420 HydrophobicContact CB-CE2 4.07Å; V410-Y420 HydrophobicContact CG2-CD2 3.79Å; V410-Y420 HydrophobicContact CG2-CE2 3.76Å
421S93.3Very high92.3Very high47 Ų4735.4 Ų35.433%0.32924%0.236SC..EExtended strand (participates in β ladder)trans-78.4125.4175.2175.70000110.1M35 A423M35-S421 WeakPolarHBondContact CE-O 3.35Å; S421-A423 VanDerWaalsContact C-N 3.26Å; S421-A423 WeakPolarHBondContact OG-CB 3.34Å; S421-A423 PolarHBondContact OG-N 2.84Å
422L91Very high91.8Very high4 Ų437.9 Ų37.92%0.02125%0.253CS..  trans-91.614.9173.8-55.9-172.1000112.3M35 L289 L309 P406 L408 G424 L425M35-L422 HydrophobicContact CE-CD2 4.26Å; L289-L422 HydrophobicContact CD2-CD1 3.71Å; L309-L422 HydrophobicContact CD1-CD1 3.74Å; L309-L422 HydrophobicContact CD1-CD2 3.6Å; L309-L422 HydrophobicContact CD1-CG 4.26Å; L309-L422 HydrophobicContact CD2-CD1 4.42Å; P406-L422 HydrophobicContact CB-CB 3.88Å; P406-L422 WeakPolarHBondContact O-CA 3.37Å; P406-L422 WeakPolarHBondContact O-CB 3.08Å; P406-L422 PolarHBondContact O-N 2.9Å; L408-L422 HydrophobicContact CD1-CD1 4.25Å; L408-L422 HydrophobicContact CD1-CD2 3.99Å; L408-L422 HydrophobicContact CD1-CG 4.5Å; L408-L422 HydrophobicContact CD2-CD1 4.17Å; L408-L422 HydrophobicContact CG-CD1 3.79Å; L408-L422 HydrophobicContact CG-CD2 4.05Å; L408-L422 HydrophobicContact CG-CG 4.06Å; L422-G424 PolarHBondContact O-N 3.21Å; L422-L425 HydrophobicContact CB-CD1 3.99Å; L422-L425 HydrophobicContact CD2-CD1 4Å; L422-L425 HydrophobicContact CG-CD1 4.43Å; L422-L425 PolarHBondContact O-N 3.25Å
423A84.4Confident91.5Very high61 Ų6140.2 Ų40.250%0.50427%0.269SS..THydrogen-bonded Turntrans-58.6126.1177.200000110.6S421S421-A423 VanDerWaalsContact C-N 3.26Å; S421-A423 WeakPolarHBondContact OG-CB 3.34Å; S421-A423 PolarHBondContact OG-N 2.84Å
424G73.5Confident91.1Very high88 Ų8835.3 Ų35.391%0.90725%0.253SS*.THydrogen-bonded Turntrans99.1-0.2179.800000115.6L422L422-G424 PolarHBondContact O-N 3.21Å
425L69Low90.6Very high106 Ų10636.3 Ų36.356%0.55526%0.26SS*.  trans-79.60166.3-86.2159.4000113.3W297 L309 L386 L422W297-L425 HydrophobicContact CH2-CD2 4.16Å; L309-L425 HydrophobicContact CD1-CD1 3.51Å; L386-L425 HydrophobicContact CD2-CD1 4.09Å; L422-L425 HydrophobicContact CB-CD1 3.99Å; L422-L425 HydrophobicContact CD2-CD1 4Å; L422-L425 HydrophobicContact CG-CD1 4.43Å; L422-L425 PolarHBondContact O-N 3.25Å

Retrieved 425 of 425 residues in 243.2 ms (Link to these results)