A0A5K4FBF3_SCHMA Loading...

IL4_i_Ig domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FBF3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 133 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
1M51.9Low51Low223 Ų223122.5 Ų122.5100%1.09964%0.638SS**  0570-70.1163.96600111
2F49.7Very low51.1Low183 Ų183117.9 Ų117.980%0.80361%0.614SS**  trans-108.2-8.8-178.8-90.7-83.6000113.9
3L48.6Very low51Low146 Ų146115.1 Ų115.176%0.76461%0.61SS**Hα-helixtrans-74.7-25-176.1-100104.1000114.5
4I55.1Low51Low131 Ų131116.6 Ų116.667%0.67261%0.612SS**Hα-helixtrans-75.9-34.7-173.6-55.1175.5000111.2V6 L7 S8I4-V6 VanDerWaalsContact C-N 3.32Å; I4-V6 PolarHBondContact O-N 3.21Å; I4-L7 PolarHBondContact O-N 2.89Å; I4-S8 PolarHBondContact O-N 3.2Å; I4-S8 PolarHBondContact O-OG 2.75Å
5A51.1Low51.4Low60 Ų60113 Ų11350%0.49659%0.593SS.*Hα-helixtrans-69.4-28.2-178.600000113.3S8 Y9A5-S8 PolarHBondContact O-OG 2.8Å; A5-Y9 PolarHBondContact O-N 3.43Å
6V50.7Low51.7Low94 Ų94107.6 Ų107.657%0.5757%0.573SS**Hα-helixtrans-77-32.4-179.4-174.60000111.3I4 T10I4-V6 VanDerWaalsContact C-N 3.32Å; I4-V6 PolarHBondContact O-N 3.21Å; V6-T10 WeakPolarHBondContact O-CG2 3.34Å; V6-T10 PolarHBondContact O-N 3.35Å; V6-T10 PolarHBondContact O-OG1 2.68Å
7L48.7Very low51.8Low108 Ų108102.8 Ų102.857%0.56555%0.547SS*.Hα-helixtrans-68.3-39.5176.8-85.1157.5000112.1I4 T10 L11I4-L7 PolarHBondContact O-N 2.89Å; L7-T10 PolarHBondContact O-OG1 2.77Å; L7-T10 VanDerWaalsContact O-OG1 3.06Å; L7-L11 PolarHBondContact O-N 2.73Å
8S54.4Low51.8Low55 Ų55101.2 Ų101.239%0.38554%0.542SS..Hα-helixtrans-68.4-42.1176.3310000112I4 A5 T10 L11 I12I4-S8 PolarHBondContact O-N 3.2Å; I4-S8 PolarHBondContact O-OG 2.75Å; A5-S8 PolarHBondContact O-OG 2.8Å; S8-T10 PolarHBondContact O-N 3.45Å; S8-L11 PolarHBondContact O-N 2.74Å; S8-I12 VanDerWaalsContact O-CD1 3.27Å; S8-I12 WeakPolarHBondContact O-CD1 3.45Å; S8-I12 WeakPolarHBondContact O-CG1 3.36Å; S8-I12 PolarHBondContact O-N 3.19Å; S8-I12 VanDerWaalsContact O-N 3.08Å
9Y49.4Very low51.5Low168 Ų168102.2 Ų102.266%0.65955%0.552SS**Hα-helixtrans-62.1-41.6178.2-113-91.2000113A5 I12 S13A5-Y9 PolarHBondContact O-N 3.43Å; Y9-I12 PolarHBondContact O-N 3.01Å; Y9-S13 PolarHBondContact O-N 3.29Å; Y9-S13 PolarHBondContact O-OG 3Å; Y9-S13 VanDerWaalsContact O-OG 3.09Å
10T51Low51.1Low76 Ų76100.8 Ų100.847%0.46655%0.55SS.*Hα-helixtrans-68.4-35.9-179.748.40000113V6 L7 S8 Q14V6-T10 WeakPolarHBondContact O-CG2 3.34Å; V6-T10 PolarHBondContact O-N 3.35Å; V6-T10 PolarHBondContact O-OG1 2.68Å; L7-T10 PolarHBondContact O-OG1 2.77Å; L7-T10 VanDerWaalsContact O-OG1 3.06Å; S8-T10 PolarHBondContact O-N 3.45Å; T10-Q14 WeakPolarHBondContact O-CG 3.48Å; T10-Q14 PolarHBondContact O-N 2.73Å
11L50.7Low51.1Low103 Ų103103.5 Ų103.554%0.53957%0.565SS.*Hα-helixtrans-65.8-40172.6-92.6149.8000112.3L7 S8 Q14 L15L7-L11 PolarHBondContact O-N 2.73Å; S8-L11 PolarHBondContact O-N 2.74Å; L11-Q14 PolarHBondContact O-N 3.43Å; L11-L15 PolarHBondContact O-N 2.82Å
12I52Low51.5Low68 Ų6897.3 Ų97.335%0.34954%0.543SS..Hα-helixtrans-66.3-41.2179.5-67.5164.8000110.8S8 Y9 Q14 L15 G16 I17S8-I12 VanDerWaalsContact O-CD1 3.27Å; S8-I12 WeakPolarHBondContact O-CD1 3.45Å; S8-I12 WeakPolarHBondContact O-CG1 3.36Å; S8-I12 PolarHBondContact O-N 3.19Å; S8-I12 VanDerWaalsContact O-N 3.08Å; Y9-I12 PolarHBondContact O-N 3.01Å; I12-Q14 VanDerWaalsContact C-N 3.35Å; I12-Q14 PolarHBondContact O-N 2.69Å; I12-L15 PolarHBondContact O-N 3.49Å; I12-G16 PolarHBondContact O-N 2.05Å; I12-I17 HydrophobicContact CG2-CB 3.65Å; I12-I17 HydrophobicContact CG2-CD1 4.25Å; I12-I17 HydrophobicContact CG2-CG2 3.77Å; I12-I17 PolarHBondContact O-N 2.92Å
13S49.6Very low52.8Low81 Ų8189.1 Ų89.157%0.56651%0.508SS*.Hα-helixtrans-65.4-34.3176.2-53.10000113Y9 L15 G16Y9-S13 PolarHBondContact O-N 3.29Å; Y9-S13 PolarHBondContact O-OG 3Å; Y9-S13 VanDerWaalsContact O-OG 3.09Å; S13-L15 VanDerWaalsContact C-N 3.27Å; S13-L15 PolarHBondContact O-N 2.89Å; S13-G16 PolarHBondContact O-N 3.09Å; S13-G16 VanDerWaalsContact O-N 3.15Å
14Q51.3Low54.3Low137 Ų13788.5 Ų88.564%0.6450%0.499SS*.Hα-helixtrans-70.1-24.1176.1-72.7-171.6-20.700113.2T10 L11 I12 G16 K44T10-Q14 WeakPolarHBondContact O-CG 3.48Å; T10-Q14 PolarHBondContact O-N 2.73Å; L11-Q14 PolarHBondContact O-N 3.43Å; I12-Q14 VanDerWaalsContact C-N 3.35Å; I12-Q14 PolarHBondContact O-N 2.69Å; Q14-G16 VanDerWaalsContact C-N 3.28Å; Q14-K44 PolarHBondContact O-NZ 2.7Å
15L56.1Low55.8Low62 Ų6286.7 Ų86.733%0.32549%0.485SS..Hα-helixtrans-81.6-6.5173.8-71.8162.2000112.8L11 I12 S13 I17 K44L11-L15 PolarHBondContact O-N 2.82Å; I12-L15 PolarHBondContact O-N 3.49Å; S13-L15 VanDerWaalsContact C-N 3.27Å; S13-L15 PolarHBondContact O-N 2.89Å; L15-I17 VanDerWaalsContact C-N 3.32Å; L15-I17 HydrophobicContact CB-CD1 3.69Å; L15-I17 HydrophobicContact CB-CG1 3.93Å; L15-I17 HydrophobicContact CD1-CD1 4.1Å; L15-K44 WeakPolarHBondContact O-CE 3.25Å; L15-K44 PolarHBondContact O-NZ 3.39Å
16G57.2Low57.7Low26 Ų2683.9 Ų83.927%0.26846%0.461SS..THydrogen-bonded Turntrans67.535-178.500000112.1I12 S13 Q14 Y43I12-G16 PolarHBondContact O-N 2.05Å; S13-G16 PolarHBondContact O-N 3.09Å; S13-G16 VanDerWaalsContact O-N 3.15Å; Q14-G16 VanDerWaalsContact C-N 3.28Å; G16-Y43 WeakPolarHBondContact O-CD2 3.21Å
17I53Low59.8Low27 Ų2779.4 Ų79.414%0.13843%0.434CS..  trans-93.9120.3175.3-61.2164.9000106.6I12 L15 I40 W53I12-I17 HydrophobicContact CG2-CB 3.65Å; I12-I17 HydrophobicContact CG2-CD1 4.25Å; I12-I17 HydrophobicContact CG2-CG2 3.77Å; I12-I17 PolarHBondContact O-N 2.92Å; L15-I17 VanDerWaalsContact C-N 3.32Å; L15-I17 HydrophobicContact CB-CD1 3.69Å; L15-I17 HydrophobicContact CB-CG1 3.93Å; L15-I17 HydrophobicContact CD1-CD1 4.1Å; I17-I40 HydrophobicContact CD1-CG2 4.23Å; I17-I40 HydrophobicContact CG1-CG2 4.34Å; I17-I40 HydrophobicContact CG2-CG2 3.78Å; I17-W53 HydrophobicContact CD1-CH2 3.95Å
18T51.4Low62.1Low73 Ų7375.2 Ų75.245%0.44841%0.412SS..  trans-130.9146176.1520000109.2Y43T18-Y43 WeakPolarHBondContact OG1-CE2 3.26Å; T18-Y43 VanDerWaalsContact OG1-CZ 3.24Å; T18-Y43 PolarHBondContact OG1-OH 3.25Å
19T45.8Very low64.1Low121 Ų12172.9 Ų72.974%0.74240%0.395SS*.  trans-100.198.5168.952.40000107.5
20S45.1Very low66.3Low73 Ų7366.2 Ų66.251%0.5137%0.369SS..  trans-148.7144.8-177169.50000110.6S22S20-S22 PolarHBondContact O-N 3.28Å
21D49.7Very low68.4Low159 Ų15967.6 Ų67.685%0.8537%0.373SS*.THydrogen-bonded Turntrans-36.1117.4-175.7-84.4-38000114.9C23D21-C23 PolarHBondContact O-N 2.8Å
22S60.1Low70.7Confident92 Ų9266.6 Ų66.664%0.64337%0.366SS*.THydrogen-bonded Turntrans2879.9177.467.70000114.9S20 K24S20-S22 PolarHBondContact O-N 3.28Å; S22-K24 PolarHBondContact O-N 2.97Å
23C78.2Confident72.8Confident12 Ų1265 Ų658%0.08136%0.359CS..  trans-59.7125.2171.1158.20000111.7D21 C26 E41 Y43 P61D21-C23 PolarHBondContact O-N 2.8Å; C23-C26 HydrophobicContact CB-CB 4.17Å; C23-C26 WeakPolarHBondContact CB-SG 3.24Å; C23-C26 VanDerWaalsContact SG-CA 3.51Å; C23-C26 WeakPolarHBondContact SG-CB 3.34Å; C23-C26 PolarHBondContact SG-N 2.83Å; C23-C26 CovalentContact SG-SG 2.01Å; C23-C26 PolarHBondContact SG-SG 3Å; C23-E41 WeakPolarHBondContact CB-OE1 3.27Å; C23-Y43 HydrophobicContact CB-CE1 3.96Å; C23-Y43 WeakPolarHBondContact CB-OH 3.41Å; C23-Y43 WeakPolarHBondContact SG-CE1 3.12Å; C23-P61 WeakPolarHBondContact O-CB 3.37Å; C23-P61 VanDerWaalsContact O-CG 3.28Å; C23-P61 WeakPolarHBondContact O-CG 3.27Å
24K79.7Confident75.1Confident132 Ų13267.4 Ų67.457%0.57436%0.357SS*.SBendtrans-85.6-11.1-174.9-65.3-174179-176.70115.6S22 N63S22-K24 PolarHBondContact O-N 2.97Å; K24-N63 PolarHBondContact O-ND2 3.26Å
25Y86.1Confident77.2Confident94 Ų9463.9 Ų63.937%0.36934%0.341SS..SBendtrans-134.7-1.1-169.2-64.8-88.9000114.4N63 W72Y25-N63 VanDerWaalsContact CD1-ND2 3.33Å; Y25-N63 WeakPolarHBondContact CD1-ND2 3.47Å; Y25-N63 WeakPolarHBondContact CE1-ND2 3.4Å; Y25-N63 PolarHBondContact OH-ND2 3.19Å; Y25-W72 WeakPolarHBondContact O-CZ2 3.16Å; Y25-W72 PolarHBondContact O-NE1 3.02Å
26C91.8Very high79.1Confident0 Ų066.9 Ų66.90%035%0.348CS..  trans-84170.9179.6470000111.4C23 E41 V42 Y43 P61C23-C26 HydrophobicContact CB-CB 4.17Å; C23-C26 WeakPolarHBondContact CB-SG 3.24Å; C23-C26 VanDerWaalsContact SG-CA 3.51Å; C23-C26 WeakPolarHBondContact SG-CB 3.34Å; C23-C26 PolarHBondContact SG-N 2.83Å; C23-C26 CovalentContact SG-SG 2.01Å; C23-C26 PolarHBondContact SG-SG 3Å; C26-E41 HydrophobicContact CB-CB 4.25Å; C26-V42 CarbonylContact C-O 3.52Å; C26-V42 WeakPolarHBondContact CA-O 3.29Å; C26-V42 WeakPolarHBondContact CB-O 3.33Å; C26-Y43 HydrophobicContact CB-CD1 4.24Å; C26-Y43 HydrophobicContact CB-CD2 4.41Å; C26-Y43 HydrophobicContact CB-CE1 4.31Å; C26-Y43 HydrophobicContact CB-CE2 4.47Å; C26-Y43 HydrophobicContact CB-CG 4.33Å; C26-P61 VanDerWaalsContact O-CD 3.26Å; C26-P61 WeakPolarHBondContact O-CD 3.04Å
27L95.1Very high80.8Confident0 Ų067.6 Ų67.60%035%0.354CS..EExtended strand (participates in β ladder)trans-98.3133160.5175.677.3000108.1L29 E41 V42 V58 V60 W72 L74 I107L27-L29 HydrophobicContact CD2-CD1 3.64Å; L27-L29 HydrophobicContact CD2-CG 4.33Å; L27-L29 HydrophobicContact CG-CD1 3.78Å; L27-L29 HydrophobicContact CG-CG 4.45Å; L27-E41 CarbonylContact O-C 3.52Å; L27-E41 WeakPolarHBondContact O-CA 3.33Å; L27-V42 HydrophobicContact CB-CB 4.23Å; L27-V42 PolarHBondContact N-O 2.79Å; L27-V42 PolarHBondContact O-N 2.91Å; L27-V58 HydrophobicContact CD1-CG1 3.35Å; L27-V58 HydrophobicContact CG-CG1 4.01Å; L27-V60 HydrophobicContact CD1-CG2 3.87Å; L27-W72 HydrophobicContact CB-CD2 3.64Å; L27-W72 HydrophobicContact CB-CE3 3.94Å; L27-W72 HydrophobicContact CB-CG 3.95Å; L27-W72 HydrophobicContact CB-CH2 4.4Å; L27-W72 HydrophobicContact CB-CZ2 4.16Å; L27-W72 HydrophobicContact CB-CZ3 4.3Å; L27-W72 HydrophobicContact CD1-CB 3.98Å; L27-W72 HydrophobicContact CD1-CG 4.1Å; L27-W72 HydrophobicContact CD2-CD2 4.5Å; L27-W72 HydrophobicContact CD2-CE3 4.22Å; L27-W72 HydrophobicContact CG-CD2 4.49Å; L27-L74 HydrophobicContact CD1-CD2 4.42Å; L27-L74 HydrophobicContact CD2-CD2 3.43Å; L27-L74 VanDerWaalsContact CD2-CD2 3.43Å; L27-I107 HydrophobicContact CD2-CD1 4.1Å; L27-I107 HydrophobicContact CD2-CG2 3.75Å
28Q95.3Very high82.8Confident21 Ų2170.3 Ų70.310%0.09838%0.376CS..EExtended strand (participates in β ladder)trans-105.2124175.8-70.3172.4-28.700108.9Y30 Y39 I40 E41 V58 C59 P61Q28-Y30 HydrophobicContact CB-CD2 4.39Å; Q28-Y30 HydrophobicContact CB-CE2 3.68Å; Q28-Y30 PolarHBondContact OE1-OH 3.09Å; Q28-Y39 HydrophobicContact CG-CD2 4.28Å; Q28-I40 WeakPolarHBondContact CA-O 3.31Å; Q28-E41 HydrophobicContact CG-CG 4.24Å; Q28-E41 PolarHBondContact NE2-OE1 2.8Å; Q28-V58 CarbonylContact O-C 3.59Å; Q28-V58 VanDerWaalsContact O-CA 3.31Å; Q28-V58 WeakPolarHBondContact O-CA 3.24Å; Q28-V58 WeakPolarHBondContact O-CG1 3.46Å; Q28-C59 HydrophobicContact CB-CB 4.45Å; Q28-C59 PolarHBondContact N-O 3.09Å; Q28-C59 PolarHBondContact O-N 3.26Å; Q28-P61 HydrophobicContact CG-CG 4.3Å
29L96.7Very high84.8Confident6 Ų671.1 Ų71.13%0.03137%0.372CS..EExtended strand (participates in β ladder)trans-113.5116.7175.7-64.790.5000108L27 Y39 I40 V42 W53 P55 V58 I104L27-L29 HydrophobicContact CD2-CD1 3.64Å; L27-L29 HydrophobicContact CD2-CG 4.33Å; L27-L29 HydrophobicContact CG-CD1 3.78Å; L27-L29 HydrophobicContact CG-CG 4.45Å; L29-Y39 CarbonylContact O-C 3.56Å; L29-Y39 WeakPolarHBondContact O-CA 3.43Å; L29-Y39 WeakPolarHBondContact O-CB 3.47Å; L29-I40 PolarHBondContact N-O 3.26Å; L29-I40 PolarHBondContact O-N 2.86Å; L29-V42 HydrophobicContact CD1-CB 4.41Å; L29-V42 HydrophobicContact CD1-CG2 3.53Å; L29-W53 HydrophobicContact CD2-CE3 3.99Å; L29-P55 HydrophobicContact CB-CB 4.1Å; L29-P55 HydrophobicContact CD2-CB 4.34Å; L29-P55 HydrophobicContact CD2-CG 4.12Å; L29-V58 HydrophobicContact CG-CG1 4.47Å; L29-V58 HydrophobicContact CG-CG2 4.4Å; L29-I104 HydrophobicContact CD2-CD1 3.57Å
30Y96.6Very high87.1Confident28 Ų2868.1 Ų68.111%0.1135%0.351CS..EExtended strand (participates in β ladder)trans-97.9143.3-177.9-67.6-96.4000110.4Q28 E32 E35 S38 Y39 P55 G56 S57 C59Q28-Y30 HydrophobicContact CB-CD2 4.39Å; Q28-Y30 HydrophobicContact CB-CE2 3.68Å; Q28-Y30 PolarHBondContact OE1-OH 3.09Å; Y30-E32 VanDerWaalsContact C-N 3.28Å; Y30-E32 PolarHBondContact O-N 2.66Å; Y30-E35 VanDerWaalsContact CD1-C 3.41Å; Y30-E35 HydrophobicContact CD1-CB 4.39Å; Y30-E35 WeakPolarHBondContact CD1-O 3.28Å; Y30-E35 HydrophobicContact CD2-CB 4.41Å; Y30-E35 HydrophobicContact CD2-CG 4.44Å; Y30-E35 HydrophobicContact CE1-CB 4.13Å; Y30-E35 WeakPolarHBondContact CE1-O 3.35Å; Y30-E35 HydrophobicContact CE2-CB 4.15Å; Y30-E35 HydrophobicContact CE2-CG 4.12Å; Y30-S38 WeakPolarHBondContact CA-O 3.16Å; Y30-Y39 HydrophobicContact CD1-CD1 4.34Å; Y30-Y39 HydrophobicContact CD1-CG 4.25Å; Y30-Y39 AromaticContact CE1-CD1 3.88Å; Y30-Y39 HydrophobicContact CE1-CD1 3.88Å; Y30-Y39 AromaticContact CE1-CG 3.93Å; Y30-Y39 HydrophobicContact CE1-CG 3.93Å; Y30-P55 CarbonylContact O-C 3.55Å; Y30-P55 WeakPolarHBondContact O-CA 3.47Å; Y30-P55 WeakPolarHBondContact O-CB 3.49Å; Y30-G56 PolarHBondContact O-N 3.21Å; Y30-S57 VanDerWaalsContact CB-OG 3.31Å; Y30-S57 WeakPolarHBondContact CB-OG 3.46Å; Y30-S57 PolarHBondContact N-O 2.76Å; Y30-S57 PolarHBondContact O-N 2.81Å; Y30-C59 HydrophobicContact CE2-CB 4.19Å
31D95.6Very high89.5Confident104 Ų10464.8 Ų64.856%0.55633%0.327SS*.SBendtrans-66.3-32.4177.2-71-19.2000111.8S38 G56D31-S38 PolarHBondContact N-O 2.98Å; D31-G56 PolarHBondContact O-N 2.84Å
32E97.7Very high91.6Very high82 Ų8257.4 Ų57.438%0.38329%0.288SS..SBendtrans-109.8165.5179.9-59.4179.3-115.500112.8Y30 R36 G37 G56 S57Y30-E32 VanDerWaalsContact C-N 3.28Å; Y30-E32 PolarHBondContact O-N 2.66Å; E32-R36 HydrophobicContact CB-CB 3.86Å; E32-R36 WeakPolarHBondContact CB-O 3.24Å; E32-R36 PolarHBondContact N-O 2.88Å; E32-R36 IonicContact OE2-CZ 3.33Å; E32-R36 IonicContact OE2-NH1 2.74Å; E32-R36 PolarHBondContact OE2-NH1 2.76Å; E32-R36 IonicContact OE2-NH2 2.75Å; E32-G37 WeakPolarHBondContact OE1-CA 3.36Å; E32-G37 PolarHBondContact OE1-N 3.48Å; E32-G56 CarbonylContact O-C 3.59Å; E32-S57 WeakPolarHBondContact O-CB 3.38Å; E32-S57 PolarHBondContact O-N 2.83Å; E32-S57 PolarHBondContact O-OG 2.8Å
33T97.5Very high93Very high34 Ų3455.9 Ų55.921%0.20927%0.268CS..SBendtrans-68.8154.5170.757.50000111.8R36 D94 D95T33-R36 PolarHBondContact O-NE 2.98Å; T33-D94 CarbonylContact C-O 3.53Å; T33-D94 WeakPolarHBondContact CA-O 2.85Å; T33-D94 WeakPolarHBondContact CB-O 3.33Å; T33-D95 HydrophobicContact CG2-CB 4.18Å
34Y96.7Very high93.7Very high132 Ų13258.6 Ų58.652%0.51828%0.279SS..SBendtrans60.244.5178.1-54.5-88.2000113.1R36 D94Y34-R36 WeakPolarHBondContact O-CG 3.18Å; Y34-R36 PolarHBondContact O-N 2.75Å; Y34-R36 VanDerWaalsContact O-N 3.13Å; Y34-D94 HydrophobicContact CD1-CB 3.51Å; Y34-D94 HydrophobicContact CE1-CB 3.64Å; Y34-D94 HydrophobicContact CG-CB 4.13Å; Y34-D94 PolarHBondContact N-O 2.98Å
35E95.5Very high94.4Very high64 Ų6452.6 Ų52.630%0.29925%0.253SS..SBendtrans58.930.1174-57.772.2-13300113.9Y30 S57 C59 C92Y30-E35 VanDerWaalsContact CD1-C 3.41Å; Y30-E35 HydrophobicContact CD1-CB 4.39Å; Y30-E35 WeakPolarHBondContact CD1-O 3.28Å; Y30-E35 HydrophobicContact CD2-CB 4.41Å; Y30-E35 HydrophobicContact CD2-CG 4.44Å; Y30-E35 HydrophobicContact CE1-CB 4.13Å; Y30-E35 WeakPolarHBondContact CE1-O 3.35Å; Y30-E35 HydrophobicContact CE2-CB 4.15Å; Y30-E35 HydrophobicContact CE2-CG 4.12Å; E35-S57 WeakPolarHBondContact CA-OG 3.29Å; E35-S57 PolarHBondContact N-OG 2.97Å; E35-C59 WeakPolarHBondContact CG-SG 3.43Å; E35-C92 WeakPolarHBondContact OE1-CB 3.44Å
36R95.3Very high94.8Very high125 Ų12548.8 Ų48.847%0.47224%0.239SC..  trans-100.5163.7-179.4-65.5-172.5-61.6113.34112E32 T33 Y34E32-R36 HydrophobicContact CB-CB 3.86Å; E32-R36 WeakPolarHBondContact CB-O 3.24Å; E32-R36 PolarHBondContact N-O 2.88Å; E32-R36 IonicContact OE2-CZ 3.33Å; E32-R36 IonicContact OE2-NH1 2.74Å; E32-R36 PolarHBondContact OE2-NH1 2.76Å; E32-R36 IonicContact OE2-NH2 2.75Å; T33-R36 PolarHBondContact O-NE 2.98Å; Y34-R36 WeakPolarHBondContact O-CG 3.18Å; Y34-R36 PolarHBondContact O-N 2.75Å; Y34-R36 VanDerWaalsContact O-N 3.13Å
37G94.2Very high94.9Very high40 Ų4049.7 Ų49.741%0.41225%0.249SC..SBendtrans78.9-168.2176.900000113.3E32E32-G37 WeakPolarHBondContact OE1-CA 3.36Å; E32-G37 PolarHBondContact OE1-N 3.48Å
38S94.5Very high94.9Very high85 Ų8553 Ų5359%0.59427%0.272SS*.  trans-68.5154.5173.4-59.60000109.8Y30 D31Y30-S38 WeakPolarHBondContact CA-O 3.16Å; D31-S38 PolarHBondContact N-O 2.98Å
39Y93.9Very high94.9Very high90 Ų9052.5 Ų52.535%0.35327%0.27SS..EExtended strand (participates in β ladder)trans-137.7156.8177.466.4-84.6000111.9Q28 L29 Y30 E41Q28-Y39 HydrophobicContact CG-CD2 4.28Å; L29-Y39 CarbonylContact O-C 3.56Å; L29-Y39 WeakPolarHBondContact O-CA 3.43Å; L29-Y39 WeakPolarHBondContact O-CB 3.47Å; Y30-Y39 HydrophobicContact CD1-CD1 4.34Å; Y30-Y39 HydrophobicContact CD1-CG 4.25Å; Y30-Y39 AromaticContact CE1-CD1 3.88Å; Y30-Y39 HydrophobicContact CE1-CD1 3.88Å; Y30-Y39 AromaticContact CE1-CG 3.93Å; Y30-Y39 HydrophobicContact CE1-CG 3.93Å; Y39-E41 HydrophobicContact CD2-CG 3.86Å; Y39-E41 HydrophobicContact CE2-CG 3.59Å
40I93.6Very high94.7Very high58 Ų5857.7 Ų57.730%0.29731%0.307SS..EExtended strand (participates in β ladder)trans-113.1135.8173.7-61.8174.6000108.4I17 Q28 L29 V42 W53I17-I40 HydrophobicContact CD1-CG2 4.23Å; I17-I40 HydrophobicContact CG1-CG2 4.34Å; I17-I40 HydrophobicContact CG2-CG2 3.78Å; Q28-I40 WeakPolarHBondContact CA-O 3.31Å; L29-I40 PolarHBondContact N-O 3.26Å; L29-I40 PolarHBondContact O-N 2.86Å; I40-V42 HydrophobicContact CG2-CG2 4.41Å; I40-W53 HydrophobicContact CD1-CH2 4.46Å; I40-W53 HydrophobicContact CG2-CH2 4.01Å; I40-W53 HydrophobicContact CG2-CZ3 4.03Å
41E94.6Very high94.7Very high2 Ų261.1 Ų61.11%0.00933%0.333CS..EExtended strand (participates in β ladder)trans-99.6124.7172.9-60.4-169.2141.300110.9C23 C26 L27 Q28 Y39 Y43C23-E41 WeakPolarHBondContact CB-OE1 3.27Å; C26-E41 HydrophobicContact CB-CB 4.25Å; L27-E41 CarbonylContact O-C 3.52Å; L27-E41 WeakPolarHBondContact O-CA 3.33Å; Q28-E41 HydrophobicContact CG-CG 4.24Å; Q28-E41 PolarHBondContact NE2-OE1 2.8Å; Y39-E41 HydrophobicContact CD2-CG 3.86Å; Y39-E41 HydrophobicContact CE2-CG 3.59Å; E41-Y43 HydrophobicContact CB-CD2 4.2Å; E41-Y43 HydrophobicContact CB-CE2 3.43Å; E41-Y43 VanDerWaalsContact CB-CE2 3.43Å; E41-Y43 PolarHBondContact OE2-OH 3.01Å
42V93.8Very high94.7Very high5 Ų558.8 Ų58.83%0.0332%0.323CS..EExtended strand (participates in β ladder)trans-108.6121.2178.1-179.10000109.5C26 L27 L29 I40 K44 V46 W53 W72 I107C26-V42 CarbonylContact C-O 3.52Å; C26-V42 WeakPolarHBondContact CA-O 3.29Å; C26-V42 WeakPolarHBondContact CB-O 3.33Å; L27-V42 HydrophobicContact CB-CB 4.23Å; L27-V42 PolarHBondContact N-O 2.79Å; L27-V42 PolarHBondContact O-N 2.91Å; L29-V42 HydrophobicContact CD1-CB 4.41Å; L29-V42 HydrophobicContact CD1-CG2 3.53Å; I40-V42 HydrophobicContact CG2-CG2 4.41Å; V42-K44 WeakPolarHBondContact CG1-O 3.41Å; V42-V46 HydrophobicContact CG1-CG2 4.33Å; V42-W53 HydrophobicContact CG2-CH2 4.44Å; V42-W53 HydrophobicContact CG2-CZ3 3.75Å; V42-W72 HydrophobicContact CG1-CH2 4.07Å; V42-W72 HydrophobicContact CG1-CZ3 3.92Å; V42-W72 WeakPolarHBondContact O-CH2 3.29Å; V42-W72 VanDerWaalsContact O-CZ2 3.25Å; V42-W72 WeakPolarHBondContact O-CZ2 3.45Å; V42-I107 HydrophobicContact CG1-CD1 4.34Å; V42-I107 HydrophobicContact CG1-CG2 4.29Å; V42-I107 HydrophobicContact CG2-CD1 4.16Å
43Y90.9Very high94.7Very high60 Ų6058 Ų5824%0.23532%0.316CS..  trans-105.4-14.8-172.3-69.3-99.4000114.2G16 T18 C23 C26 E41 R109G16-Y43 WeakPolarHBondContact O-CD2 3.21Å; T18-Y43 WeakPolarHBondContact OG1-CE2 3.26Å; T18-Y43 VanDerWaalsContact OG1-CZ 3.24Å; T18-Y43 PolarHBondContact OG1-OH 3.25Å; C23-Y43 HydrophobicContact CB-CE1 3.96Å; C23-Y43 WeakPolarHBondContact CB-OH 3.41Å; C23-Y43 WeakPolarHBondContact SG-CE1 3.12Å; C26-Y43 HydrophobicContact CB-CD1 4.24Å; C26-Y43 HydrophobicContact CB-CD2 4.41Å; C26-Y43 HydrophobicContact CB-CE1 4.31Å; C26-Y43 HydrophobicContact CB-CE2 4.47Å; C26-Y43 HydrophobicContact CB-CG 4.33Å; E41-Y43 HydrophobicContact CB-CD2 4.2Å; E41-Y43 HydrophobicContact CB-CE2 3.43Å; E41-Y43 VanDerWaalsContact CB-CE2 3.43Å; E41-Y43 PolarHBondContact OE2-OH 3.01Å; Y43-R109 WeakPolarHBondContact O-CD 3Å; Y43-R109 PolarHBondContact O-NH1 2.9Å
44K92.1Very high94.7Very high69 Ų6961.3 Ų61.330%0.334%0.337SS..SBendtrans-142.7163.9-178.767.1-175.2-174.2-155.70110.3Q14 L15 V42Q14-K44 PolarHBondContact O-NZ 2.7Å; L15-K44 WeakPolarHBondContact O-CE 3.25Å; L15-K44 PolarHBondContact O-NZ 3.39Å; V42-K44 WeakPolarHBondContact CG1-O 3.41Å
45S94.7Very high94.7Very high5 Ų555.4 Ų55.44%0.03532%0.315CS..  trans-58.7150.9173.8-43.20000111.9Y80 I107 R109 Q123S45-Y80 WeakPolarHBondContact CB-OH 3.42Å; S45-I107 CarbonylContact C-O 3.54Å; S45-I107 WeakPolarHBondContact CA-O 3.49Å; S45-I107 VanDerWaalsContact CB-O 3.24Å; S45-I107 WeakPolarHBondContact CB-O 3.31Å; S45-R109 PolarHBondContact OG-N 3.47Å; S45-Q123 PolarHBondContact O-NE2 2.71Å
46V94.4Very high94.8Very high14 Ų1452.7 Ų52.79%0.08530%0.304CS..BIsolated β-bridgetrans-130.3113.9174.1-175.20000107.6V42 S48 L49 Y80 S106 I107V42-V46 HydrophobicContact CG1-CG2 4.33Å; V46-S48 VanDerWaalsContact C-N 3.33Å; V46-S48 PolarHBondContact O-N 3.31Å; V46-L49 HydrophobicContact CB-CD2 4.45Å; V46-L49 HydrophobicContact CG1-CD2 3.61Å; V46-L49 HydrophobicContact CG1-CG 3.87Å; V46-Y80 WeakPolarHBondContact O-CE1 3.43Å; V46-S106 CarbonylContact O-C 3.55Å; V46-S106 VanDerWaalsContact O-CA 3.24Å; V46-S106 WeakPolarHBondContact O-CA 3.06Å; V46-S106 WeakPolarHBondContact O-CB 3.48Å; V46-I107 PolarHBondContact N-O 2.81Å; V46-I107 PolarHBondContact O-N 3.09Å
47G94.6Very high94.9Very high19 Ų1946.7 Ų46.720%0.19628%0.281CS..SBendtrans-76-17.7-176.100000114.3N79 Y80G47-N79 PolarHBondContact O-N 3.16Å; G47-Y80 PolarHBondContact N-OH 3.42Å
48S95.3Very high95.1Very high70 Ų7044.8 Ų44.849%0.4926%0.262SS..  trans-156.9126.1179.9-174.60000110.6V46 V78 S105V46-S48 VanDerWaalsContact C-N 3.33Å; V46-S48 PolarHBondContact O-N 3.31Å; S48-V78 WeakPolarHBondContact OG-CG1 3.43Å; S48-S105 CarbonylContact C-O 3.48Å; S48-S105 WeakPolarHBondContact CA-O 3.5Å
49L94.4Very high95.2Very high11 Ų1141 Ų416%0.05824%0.235CC..  trans-116.7118.9170-66.9170.7000107.8V46 P51 W53 I104 S105 I107V46-L49 HydrophobicContact CB-CD2 4.45Å; V46-L49 HydrophobicContact CG1-CD2 3.61Å; V46-L49 HydrophobicContact CG1-CG 3.87Å; L49-P51 CarbonylContact C-O 3.55Å; L49-P51 CarbonylContact O-C 3.5Å; L49-W53 HydrophobicContact CD1-CB 4.31Å; L49-W53 HydrophobicContact CD1-CD2 3.77Å; L49-W53 HydrophobicContact CD1-CE3 3.91Å; L49-W53 HydrophobicContact CD1-CG 3.93Å; L49-W53 HydrophobicContact CD2-CD2 3.96Å; L49-W53 HydrophobicContact CD2-CE3 4.41Å; L49-W53 HydrophobicContact CD2-CG 4.46Å; L49-W53 HydrophobicContact CD2-CH2 4.3Å; L49-W53 HydrophobicContact CD2-CZ2 3.8Å; L49-W53 HydrophobicContact CG-CD2 4.43Å; L49-I104 HydrophobicContact CD1-CG2 4.21Å; L49-I104 WeakPolarHBondContact CD1-O 3.32Å; L49-S105 PolarHBondContact N-O 3.35Å; L49-I107 HydrophobicContact CD1-CD1 3.95Å; L49-I107 HydrophobicContact CD1-CG1 4.19Å
50S93.5Very high95.2Very high114 Ų11436.8 Ų36.880%0.79722%0.218SC*.SBendtrans-136.5111.4179.1-178.60000109
51P95.3Very high95.2Very high101 Ų10135.3 Ų35.366%0.65621%0.213SC*.SBendcis-66161.4-2.130.5-36.1000112.6L49L49-P51 CarbonylContact C-O 3.55Å; L49-P51 CarbonylContact O-C 3.5Å
52P96.2Very high94.9Very high55 Ų5540.2 Ų40.236%0.35724%0.238SC..PPolyproline II helixtrans-56.9143.1170.2-23.334.4000111.2I104 S105P52-I104 CarbonylContact C-O 3.37Å; P52-I104 VanDerWaalsContact CA-O 3.29Å; P52-I104 WeakPolarHBondContact CA-O 3.23Å; P52-S105 WeakPolarHBondContact CG-OG 3.33Å
53W97.1Very high94.3Very high64 Ų6440.1 Ų40.124%0.24224%0.238CC..BIsolated β-bridgetrans-83134.3177.8-70.6-1.8000111I17 L29 I40 V42 L49 P55 G103 I104 I107I17-W53 HydrophobicContact CD1-CH2 3.95Å; L29-W53 HydrophobicContact CD2-CE3 3.99Å; I40-W53 HydrophobicContact CD1-CH2 4.46Å; I40-W53 HydrophobicContact CG2-CH2 4.01Å; I40-W53 HydrophobicContact CG2-CZ3 4.03Å; V42-W53 HydrophobicContact CG2-CH2 4.44Å; V42-W53 HydrophobicContact CG2-CZ3 3.75Å; L49-W53 HydrophobicContact CD1-CB 4.31Å; L49-W53 HydrophobicContact CD1-CD2 3.77Å; L49-W53 HydrophobicContact CD1-CE3 3.91Å; L49-W53 HydrophobicContact CD1-CG 3.93Å; L49-W53 HydrophobicContact CD2-CD2 3.96Å; L49-W53 HydrophobicContact CD2-CE3 4.41Å; L49-W53 HydrophobicContact CD2-CG 4.46Å; L49-W53 HydrophobicContact CD2-CH2 4.3Å; L49-W53 HydrophobicContact CD2-CZ2 3.8Å; L49-W53 HydrophobicContact CG-CD2 4.43Å; W53-P55 VanDerWaalsContact O-CD 3.29Å; W53-P55 WeakPolarHBondContact O-CD 3.35Å; W53-G103 CarbonylContact O-C 3.54Å; W53-G103 WeakPolarHBondContact O-CA 3.41Å; W53-I104 PolarHBondContact N-O 2.98Å; W53-I104 PolarHBondContact O-N 3.47Å; W53-I107 HydrophobicContact CE3-CD1 4.37Å; W53-I107 HydrophobicContact CZ3-CD1 4.47Å
54T97.3Very high93.3Very high105 Ų10543.7 Ų43.764%0.64426%0.261SS*.  trans-119.876.8-174.554.20000111.3K102T54-K102 WeakPolarHBondContact CA-O 2.79Å
55P97.3Very high92.3Very high8 Ų843.4 Ų43.45%0.05227%0.265CS..  trans-72.9154.7-178.433.5-38000112.1L29 Y30 W53 V58 F96 I104L29-P55 HydrophobicContact CB-CB 4.1Å; L29-P55 HydrophobicContact CD2-CB 4.34Å; L29-P55 HydrophobicContact CD2-CG 4.12Å; Y30-P55 CarbonylContact O-C 3.55Å; Y30-P55 WeakPolarHBondContact O-CA 3.47Å; Y30-P55 WeakPolarHBondContact O-CB 3.49Å; W53-P55 VanDerWaalsContact O-CD 3.29Å; W53-P55 WeakPolarHBondContact O-CD 3.35Å; P55-V58 HydrophobicContact CB-CG2 4Å; P55-V58 HydrophobicContact CG-CG2 3.57Å; P55-F96 HydrophobicContact CG-CB 4.4Å; P55-F96 HydrophobicContact CG-CD1 3.67Å; P55-F96 HydrophobicContact CG-CE1 4.17Å; P55-F96 HydrophobicContact CG-CG 4.06Å; P55-I104 HydrophobicContact CG-CD1 3.69Å
56G97.8Very high90.9Very high6 Ų650.7 Ų50.76%0.06230%0.296CS..SBendtrans-78.4-39.9168.700000112.3Y30 D31 E32 F96Y30-G56 PolarHBondContact O-N 3.21Å; D31-G56 PolarHBondContact O-N 2.84Å; E32-G56 CarbonylContact O-C 3.59Å; G56-F96 PolarHBondContact O-N 3.43Å
57S97.9Very high89.8Confident0 Ų060.4 Ų60.40%033%0.331CS..EExtended strand (participates in β ladder)trans-144.8160.2174.356.60000111.8Y30 E32 E35 I93 D94Y30-S57 VanDerWaalsContact CB-OG 3.31Å; Y30-S57 WeakPolarHBondContact CB-OG 3.46Å; Y30-S57 PolarHBondContact N-O 2.76Å; Y30-S57 PolarHBondContact O-N 2.81Å; E32-S57 WeakPolarHBondContact O-CB 3.38Å; E32-S57 PolarHBondContact O-N 2.83Å; E32-S57 PolarHBondContact O-OG 2.8Å; E35-S57 WeakPolarHBondContact CA-OG 3.29Å; E35-S57 PolarHBondContact N-OG 2.97Å; S57-I93 WeakPolarHBondContact CA-O 3.12Å; S57-I93 WeakPolarHBondContact CB-O 3.27Å; S57-D94 WeakPolarHBondContact CB-O 3.34Å
58V97.5Very high89.1Confident0 Ų064.7 Ų64.70%035%0.346CS..EExtended strand (participates in β ladder)trans-139.4135-178-176.10000110.1L27 Q28 L29 P55 L74 L87 C92 I93 F96L27-V58 HydrophobicContact CD1-CG1 3.35Å; L27-V58 HydrophobicContact CG-CG1 4.01Å; Q28-V58 CarbonylContact O-C 3.59Å; Q28-V58 VanDerWaalsContact O-CA 3.31Å; Q28-V58 WeakPolarHBondContact O-CA 3.24Å; Q28-V58 WeakPolarHBondContact O-CG1 3.46Å; L29-V58 HydrophobicContact CG-CG1 4.47Å; L29-V58 HydrophobicContact CG-CG2 4.4Å; P55-V58 HydrophobicContact CB-CG2 4Å; P55-V58 HydrophobicContact CG-CG2 3.57Å; V58-L74 HydrophobicContact CG1-CD1 4.17Å; V58-L74 HydrophobicContact CG2-CD1 4.33Å; V58-L87 HydrophobicContact CB-CD2 4.23Å; V58-L87 HydrophobicContact CG1-CD1 4.47Å; V58-L87 HydrophobicContact CG1-CD2 3.95Å; V58-C92 CarbonylContact O-C 3.58Å; V58-C92 VanDerWaalsContact O-CA 3.3Å; V58-C92 WeakPolarHBondContact O-CA 3.07Å; V58-I93 PolarHBondContact N-O 3.39Å; V58-I93 PolarHBondContact O-N 3.28Å; V58-F96 HydrophobicContact CB-CD2 4.45Å; V58-F96 HydrophobicContact CG2-CB 4.29Å; V58-F96 HydrophobicContact CG2-CD2 3.79Å; V58-F96 HydrophobicContact CG2-CE2 4.31Å; V58-F96 HydrophobicContact CG2-CG 4Å
59C96.8Very high88.9Confident4 Ų466 Ų663%0.02734%0.34CS..EExtended strand (participates in β ladder)trans-131.7153.4177.1-68.60000112.9Q28 Y30 E35 T91 C92Q28-C59 HydrophobicContact CB-CB 4.45Å; Q28-C59 PolarHBondContact N-O 3.09Å; Q28-C59 PolarHBondContact O-N 3.26Å; Y30-C59 HydrophobicContact CE2-CB 4.19Å; E35-C59 WeakPolarHBondContact CG-SG 3.43Å; C59-T91 WeakPolarHBondContact CA-O 3.42Å; C59-C92 HydrophobicContact CB-CB 4.2Å; C59-C92 WeakPolarHBondContact CB-SG 3.32Å; C59-C92 WeakPolarHBondContact SG-CB 2.94Å; C59-C92 CovalentContact SG-SG 2.04Å; C59-C92 PolarHBondContact SG-SG 3.34Å
60V95.1Very high88.8Confident2 Ų265.6 Ų65.61%0.01234%0.338CS..  trans-115.3117.2161.4-1760000106.9L27 P70 W72 L87 G88 G90 T91L27-V60 HydrophobicContact CD1-CG2 3.87Å; V60-P70 HydrophobicContact CG1-CB 3.98Å; V60-P70 HydrophobicContact CG1-CG 3.82Å; V60-W72 HydrophobicContact CG2-CB 4.25Å; V60-W72 HydrophobicContact CG2-CG 4.17Å; V60-L87 HydrophobicContact CG2-CB 3.65Å; V60-G88 WeakPolarHBondContact CB-O 3.09Å; V60-G90 WeakPolarHBondContact O-CA 3.44Å; V60-G90 PolarHBondContact O-N 3.3Å; V60-T91 PolarHBondContact N-O 3.16Å
61P91.8Very high88.8Confident28 Ų2862 Ų6218%0.18231%0.308CS..  trans-53.1146.7179.5-31.640000112.7C23 C26 Q28 N63 G90C23-P61 WeakPolarHBondContact O-CB 3.37Å; C23-P61 VanDerWaalsContact O-CG 3.28Å; C23-P61 WeakPolarHBondContact O-CG 3.27Å; C26-P61 VanDerWaalsContact O-CD 3.26Å; C26-P61 WeakPolarHBondContact O-CD 3.04Å; Q28-P61 HydrophobicContact CG-CG 4.3Å; P61-N63 PolarHBondContact O-N 3.29Å; P61-G90 PolarHBondContact O-N 3.42Å
62L88.3Confident88.9Confident104 Ų10457.2 Ų57.255%0.54528%0.277SS..  trans-63.5130174.3-174.467.4000109.1
63N81Confident88.9Confident4 Ų457.3 Ų57.32%0.02127%0.27CS..  trans-119.5112.6174.1-173.8-17000109.6K24 Y25 P61 T65 P70 H89K24-N63 PolarHBondContact O-ND2 3.26Å; Y25-N63 VanDerWaalsContact CD1-ND2 3.33Å; Y25-N63 WeakPolarHBondContact CD1-ND2 3.47Å; Y25-N63 WeakPolarHBondContact CE1-ND2 3.4Å; Y25-N63 PolarHBondContact OH-ND2 3.19Å; P61-N63 PolarHBondContact O-N 3.29Å; N63-T65 PolarHBondContact O-N 3.36Å; N63-T65 WeakPolarHBondContact OD1-CB 3.39Å; N63-T65 WeakPolarHBondContact OD1-CG2 3.41Å; N63-T65 PolarHBondContact OD1-N 2.6Å; N63-T65 PolarHBondContact OD1-OG1 2.76Å; N63-P70 HydrophobicContact CB-CG 4.1Å; N63-H89 HydrophobicContact CB-CB 4.44Å; N63-H89 PolarHBondContact O-ND1 3.41Å
64D70.9Confident89Confident135 Ų13554.2 Ų54.272%0.72226%0.258SS*.  trans-79.9-2.5-177-64.3-34.1000113.7K66D64-K66 PolarHBondContact O-N 3.48Å
65T69.9Low89Confident62 Ų6250 Ų5038%0.3823%0.231SC..  trans-73.6126.7177.864.90000110.6N63 R67N63-T65 PolarHBondContact O-N 3.36Å; N63-T65 WeakPolarHBondContact OD1-CB 3.39Å; N63-T65 WeakPolarHBondContact OD1-CG2 3.41Å; N63-T65 PolarHBondContact OD1-N 2.6Å; N63-T65 PolarHBondContact OD1-OG1 2.76Å; T65-R67 VanDerWaalsContact C-N 3.3Å; T65-R67 PolarHBondContact O-N 3.31Å
66K65.7Low89Confident158 Ų15852.1 Ų52.169%0.68724%0.242SC*.SBendtrans-73.8-14.6-174.2-67.6-170.5179.3-177.80114.1D64 K114D64-K66 PolarHBondContact O-N 3.48Å; K66-K114 WeakPolarHBondContact O-CE 3.44Å; K66-K114 WeakPolarHBondContact O-CG 3.4Å
67R72.1Confident89Confident219 Ų21955.5 Ų55.583%0.82626%0.259SS*.SBendtrans-80-52.1-168.5-73.6-172.8179.2-1780.2112.7T65T65-R67 VanDerWaalsContact C-N 3.3Å; T65-R67 PolarHBondContact O-N 3.31Å
68E80.6Confident88.8Confident108 Ų10857.6 Ų57.651%0.50527%0.271SS..  trans-145.3123-177.3-68.2172.4-166.600108.8I111E68-I111 HydrophobicContact CB-CB 4.44Å; E68-I111 HydrophobicContact CB-CG2 4.5Å; E68-I111 HydrophobicContact CG-CD1 4.2Å
69R89.8Confident88.8Confident97 Ų9763.1 Ų63.137%0.36630%0.301SS..EExtended strand (participates in β ladder)trans-98.2135.9-179.3-68.5162.5175.7-171.17.9109.4Y71 H89 I111 Q112R69-Y71 PolarHBondContact O-N 3.19Å; R69-H89 HydrophobicContact CB-CB 4.34Å; R69-H89 VanDerWaalsContact CD-CE1 3.5Å; R69-H89 WeakPolarHBondContact CD-CE1 3.33Å; R69-H89 VanDerWaalsContact CD-NE2 3.32Å; R69-H89 WeakPolarHBondContact CD-NE2 3.36Å; R69-H89 PolarHBondContact NE-CE1 2.87Å; R69-H89 PolarHBondContact NH1-NE2 3Å; R69-I111 CarbonylContact O-C 3.5Å; R69-I111 WeakPolarHBondContact O-CA 3.41Å; R69-Q112 HydrophobicContact CB-CB 4.37Å; R69-Q112 PolarHBondContact N-O 2.8Å; R69-Q112 PolarHBondContact O-N 3.39Å
70P92.3Very high88.7Confident3 Ų365.7 Ų65.72%0.01931%0.31CS..EExtended strand (participates in β ladder)trans-61.2135.7176.225.6-33.1000110V60 N63 H89V60-P70 HydrophobicContact CG1-CB 3.98Å; V60-P70 HydrophobicContact CG1-CG 3.82Å; N63-P70 HydrophobicContact CB-CG 4.1Å; P70-H89 HydrophobicContact CG-CB 3.77Å; P70-H89 PolarHBondContact O-N 2.78Å
71Y94.5Very high88.8Confident40 Ų4068.6 Ų68.616%0.15733%0.328CS..EExtended strand (participates in β ladder)trans-134.8136172.2-164.1-77.9000108.3R69 Y73 L87 C110 Q112 V118R69-Y71 PolarHBondContact O-N 3.19Å; Y71-Y73 HydrophobicContact CD1-CD2 4.44Å; Y71-Y73 HydrophobicContact CD1-CE1 4.47Å; Y71-Y73 HydrophobicContact CD1-CE2 4.16Å; Y71-Y73 AromaticContact CE1-CD1 3.95Å; Y71-Y73 HydrophobicContact CE1-CD1 3.95Å; Y71-Y73 HydrophobicContact CE1-CD2 4.34Å; Y71-Y73 AromaticContact CE1-CE1 3.51Å; Y71-Y73 HydrophobicContact CE1-CE1 3.51Å; Y71-Y73 AromaticContact CE1-CE2 3.93Å; Y71-Y73 HydrophobicContact CE1-CE2 3.93Å; Y71-Y73 HydrophobicContact CE1-CG 4.35Å; Y71-Y73 AromaticContact CE1-CZ 3.48Å; Y71-Y73 VanDerWaalsContact CE1-CZ 3.48Å; Y71-L87 CarbonylContact C-O 3.39Å; Y71-L87 WeakPolarHBondContact CA-O 3.42Å; Y71-C110 PolarHBondContact N-O 3.01Å; Y71-C110 VanDerWaalsContact N-O 3.12Å; Y71-C110 CarbonylContact O-C 3.34Å; Y71-C110 VanDerWaalsContact O-C 3.3Å; Y71-C110 VanDerWaalsContact O-CA 3.29Å; Y71-C110 WeakPolarHBondContact O-CA 3.42Å; Y71-C110 WeakPolarHBondContact O-CB 3.22Å; Y71-C110 PolarHBondContact O-N 3.47Å; Y71-Q112 HydrophobicContact CD2-CB 4.32Å; Y71-V118 HydrophobicContact CD1-CG1 3.69Å; Y71-V118 HydrophobicContact CD1-CG2 4.21Å; Y71-V118 HydrophobicContact CD2-CG2 3.9Å; Y71-V118 HydrophobicContact CE1-CG1 4.28Å; Y71-V118 HydrophobicContact CE1-CG2 4.4Å; Y71-V118 HydrophobicContact CE2-CG2 4.09Å; Y71-V118 HydrophobicContact CG-CG1 3.93Å; Y71-V118 HydrophobicContact CG-CG2 3.97Å
72W96.5Very high89Confident0 Ų070 Ų700%035%0.348CS..EExtended strand (participates in β ladder)trans-126.6136.7-174.4-70.890.6000110.6Y25 L27 V42 V60 G86 L87 I107 R109Y25-W72 WeakPolarHBondContact O-CZ2 3.16Å; Y25-W72 PolarHBondContact O-NE1 3.02Å; L27-W72 HydrophobicContact CB-CD2 3.64Å; L27-W72 HydrophobicContact CB-CE3 3.94Å; L27-W72 HydrophobicContact CB-CG 3.95Å; L27-W72 HydrophobicContact CB-CH2 4.4Å; L27-W72 HydrophobicContact CB-CZ2 4.16Å; L27-W72 HydrophobicContact CB-CZ3 4.3Å; L27-W72 HydrophobicContact CD1-CB 3.98Å; L27-W72 HydrophobicContact CD1-CG 4.1Å; L27-W72 HydrophobicContact CD2-CD2 4.5Å; L27-W72 HydrophobicContact CD2-CE3 4.22Å; L27-W72 HydrophobicContact CG-CD2 4.49Å; V42-W72 HydrophobicContact CG1-CH2 4.07Å; V42-W72 HydrophobicContact CG1-CZ3 3.92Å; V42-W72 WeakPolarHBondContact O-CH2 3.29Å; V42-W72 VanDerWaalsContact O-CZ2 3.25Å; V42-W72 WeakPolarHBondContact O-CZ2 3.45Å; V60-W72 HydrophobicContact CG2-CB 4.25Å; V60-W72 HydrophobicContact CG2-CG 4.17Å; W72-G86 CarbonylContact O-C 3.56Å; W72-G86 WeakPolarHBondContact O-CA 3.12Å; W72-L87 PolarHBondContact N-O 3.12Å; W72-L87 PolarHBondContact O-N 3.38Å; W72-I107 HydrophobicContact CE3-CG2 3.48Å; W72-I107 VanDerWaalsContact CE3-CG2 3.48Å; W72-I107 HydrophobicContact CZ3-CG2 3.61Å; W72-R109 HydrophobicContact CD2-CB 4.4Å; W72-R109 HydrophobicContact CD2-CG 4.38Å; W72-R109 HydrophobicContact CE3-CB 3.95Å; W72-R109 HydrophobicContact CE3-CG 4.39Å; W72-R109 HydrophobicContact CH2-CB 3.7Å; W72-R109 HydrophobicContact CH2-CG 3.78Å; W72-R109 HydrophobicContact CZ2-CB 4.14Å; W72-R109 HydrophobicContact CZ2-CG 3.72Å; W72-R109 HydrophobicContact CZ3-CB 3.59Å; W72-R109 HydrophobicContact CZ3-CG 4.12Å
73Y97.3Very high89.5Confident56 Ų5672.7 Ų72.722%0.2235%0.351CS..EExtended strand (participates in β ladder)trans-110.9134.5167.8-73-63.1000110.5Y71 F75 I84 T85 I107 K108 C110 V118Y71-Y73 HydrophobicContact CD1-CD2 4.44Å; Y71-Y73 HydrophobicContact CD1-CE1 4.47Å; Y71-Y73 HydrophobicContact CD1-CE2 4.16Å; Y71-Y73 AromaticContact CE1-CD1 3.95Å; Y71-Y73 HydrophobicContact CE1-CD1 3.95Å; Y71-Y73 HydrophobicContact CE1-CD2 4.34Å; Y71-Y73 AromaticContact CE1-CE1 3.51Å; Y71-Y73 HydrophobicContact CE1-CE1 3.51Å; Y71-Y73 AromaticContact CE1-CE2 3.93Å; Y71-Y73 HydrophobicContact CE1-CE2 3.93Å; Y71-Y73 HydrophobicContact CE1-CG 4.35Å; Y71-Y73 AromaticContact CE1-CZ 3.48Å; Y71-Y73 VanDerWaalsContact CE1-CZ 3.48Å; Y73-F75 VanDerWaalsContact CB-CE2 3.42Å; Y73-F75 HydrophobicContact CG-CE2 4.5Å; Y73-F75 HydrophobicContact CG-CZ 4.38Å; Y73-I84 HydrophobicContact CD1-CD1 3.33Å; Y73-I84 HydrophobicContact CD1-CG1 3.55Å; Y73-I84 HydrophobicContact CD2-CD1 4.41Å; Y73-I84 HydrophobicContact CE1-CD1 3.69Å; Y73-I84 HydrophobicContact CE1-CG1 4.19Å; Y73-I84 HydrophobicContact CG-CD1 3.74Å; Y73-I84 HydrophobicContact CG-CG1 4.16Å; Y73-T85 CarbonylContact C-O 3.58Å; Y73-T85 WeakPolarHBondContact CA-O 3.42Å; Y73-I107 CarbonylContact O-C 3.56Å; Y73-I107 WeakPolarHBondContact O-CA 3.15Å; Y73-K108 PolarHBondContact N-O 2.89Å; Y73-K108 PolarHBondContact O-N 2.96Å; Y73-C110 VanDerWaalsContact CD2-SG 3.58Å; Y73-V118 HydrophobicContact CE2-CG1 3.96Å
74L97.7Very high90.2Very high0 Ų077 Ų770%037%0.373CS..EExtended strand (participates in β ladder)trans-109.3140.9173.6-49.2178.7000108.5L27 V58 I84 T85 L87 F96 F101 I104 I107L27-L74 HydrophobicContact CD1-CD2 4.42Å; L27-L74 HydrophobicContact CD2-CD2 3.43Å; L27-L74 VanDerWaalsContact CD2-CD2 3.43Å; V58-L74 HydrophobicContact CG1-CD1 4.17Å; V58-L74 HydrophobicContact CG2-CD1 4.33Å; L74-I84 WeakPolarHBondContact O-CA 3.21Å; L74-T85 PolarHBondContact N-O 3.04Å; L74-T85 PolarHBondContact O-N 3.26Å; L74-L87 HydrophobicContact CD1-CD1 3.69Å; L74-L87 HydrophobicContact CG-CD1 3.99Å; L74-F96 HydrophobicContact CD1-CD2 4.47Å; L74-F96 HydrophobicContact CD1-CE2 3.56Å; L74-F96 HydrophobicContact CD1-CZ 3.84Å; L74-F101 HydrophobicContact CB-CE2 4.33Å; L74-F101 HydrophobicContact CB-CZ 3.88Å; L74-F101 WeakPolarHBondContact O-CZ 3.41Å; L74-I104 HydrophobicContact CB-CG1 4.35Å; L74-I104 HydrophobicContact CB-CG2 4.29Å; L74-I104 HydrophobicContact CD1-CD1 3.86Å; L74-I104 HydrophobicContact CD1-CG1 4.43Å; L74-I104 HydrophobicContact CD2-CD1 4.33Å; L74-I104 HydrophobicContact CD2-CG2 4.43Å; L74-I104 HydrophobicContact CG-CD1 4.47Å; L74-I107 HydrophobicContact CD2-CG1 4.03Å; L74-I107 HydrophobicContact CD2-CG2 4.11Å
75F97.5Very high91.5Very high16 Ų1671.7 Ų71.77%0.0735%0.346CS..EExtended strand (participates in β ladder)trans-129.7138.2-177-63.7-91.6000110.8Y73 N77 Y80 T81 R83 I84 I104 S105 S106 K108Y73-F75 VanDerWaalsContact CB-CE2 3.42Å; Y73-F75 HydrophobicContact CG-CE2 4.5Å; Y73-F75 HydrophobicContact CG-CZ 4.38Å; F75-N77 PolarHBondContact O-N 2.84Å; F75-Y80 HydrophobicContact CD2-CD1 4.15Å; F75-Y80 WeakPolarHBondContact CE1-O 3.36Å; F75-Y80 HydrophobicContact CE2-CD1 4.16Å; F75-Y80 HydrophobicContact CE2-CG 4.43Å; F75-T81 WeakPolarHBondContact CB-O 3.31Å; F75-R83 VanDerWaalsContact CA-O 3.31Å; F75-R83 WeakPolarHBondContact CA-O 3.49Å; F75-I84 HydrophobicContact CD1-CB 4.28Å; F75-I84 HydrophobicContact CD1-CD1 4.45Å; F75-I84 HydrophobicContact CD1-CG1 4.24Å; F75-I84 HydrophobicContact CE1-CB 4.11Å; F75-I84 HydrophobicContact CE1-CD1 3.51Å; F75-I84 HydrophobicContact CE1-CG1 3.76Å; F75-I84 HydrophobicContact CZ-CD1 3.6Å; F75-I84 HydrophobicContact CZ-CG1 4.02Å; F75-I104 CarbonylContact O-C 3.33Å; F75-I104 WeakPolarHBondContact O-CA 3.1Å; F75-S105 PolarHBondContact O-N 3.4Å; F75-S106 WeakPolarHBondContact CB-OG 3.41Å; F75-S106 PolarHBondContact N-O 2.81Å; F75-S106 PolarHBondContact O-N 3.5Å; F75-K108 HydrophobicContact CE2-CB 3.78Å
76D97.7Very high92.7Very high52 Ų5270.3 Ų70.328%0.27834%0.343SS..EExtended strand (participates in β ladder)trans-75.3-14.7176.173.7-12.6000113.3G82 R83 F101 G103 S105D76-G82 VanDerWaalsContact OD1-CA 3.27Å; D76-G82 WeakPolarHBondContact OD1-CA 3.41Å; D76-R83 HydrophobicContact CB-CB 4.29Å; D76-R83 PolarHBondContact N-O 2.85Å; D76-R83 PolarHBondContact OD1-N 2.79Å; D76-R83 WeakPolarHBondContact OD2-CB 3.3Å; D76-R83 WeakPolarHBondContact OD2-CD 3.2Å; D76-R83 VanDerWaalsContact OD2-CG 3.27Å; D76-R83 WeakPolarHBondContact OD2-CG 3.22Å; D76-F101 HydrophobicContact CB-CB 3.9Å; D76-F101 HydrophobicContact CB-CD1 4.31Å; D76-F101 HydrophobicContact CB-CD2 3.72Å; D76-F101 HydrophobicContact CB-CE2 4.26Å; D76-F101 HydrophobicContact CB-CG 3.73Å; D76-G103 WeakPolarHBondContact CA-O 3.41Å; D76-S105 WeakPolarHBondContact O-CB 3.1Å; D76-S105 PolarHBondContact O-OG 3.41Å
77N97.4Very high94.2Very high78 Ų7862.8 Ų62.842%0.41731%0.311SS..EExtended strand (participates in β ladder)trans-121.4161.7176.3-158.42.4000112.1F75 T81 S106F75-N77 PolarHBondContact O-N 2.84Å; N77-T81 WeakPolarHBondContact CB-O 3.4Å; N77-T81 PolarHBondContact N-O 2.82Å; N77-S106 PolarHBondContact O-OG 2.01Å
78V95.3Very high95.2Very high44 Ų4452.8 Ų52.827%0.26728%0.276SS..G310 helixtrans-67.7166.3178.9-59.80000111.2S48 Y80 T81S48-V78 WeakPolarHBondContact OG-CG1 3.43Å; V78-Y80 PolarHBondContact O-N 2.89Å; V78-T81 PolarHBondContact O-N 3.22Å; V78-T81 PolarHBondContact O-OG1 3.14Å
79N95.9Very high95.7Very high115 Ų11549.2 Ų49.262%0.61526%0.259SS*.G310 helixtrans56.230.9177.6-59.4-51.5000114.5G47G47-N79 PolarHBondContact O-N 3.16Å
80Y95.8Very high95.9Very high58 Ų5846.7 Ų46.723%0.22726%0.263CS..G310 helixtrans63.145.6176.7-37.3-62.7000112.8S45 V46 G47 F75 V78 S106 I107 K108S45-Y80 WeakPolarHBondContact CB-OH 3.42Å; V46-Y80 WeakPolarHBondContact O-CE1 3.43Å; G47-Y80 PolarHBondContact N-OH 3.42Å; F75-Y80 HydrophobicContact CD2-CD1 4.15Å; F75-Y80 WeakPolarHBondContact CE1-O 3.36Å; F75-Y80 HydrophobicContact CE2-CD1 4.16Å; F75-Y80 HydrophobicContact CE2-CG 4.43Å; V78-Y80 PolarHBondContact O-N 2.89Å; Y80-S106 VanDerWaalsContact CA-OG 3.28Å; Y80-S106 WeakPolarHBondContact CA-OG 3.41Å; Y80-S106 PolarHBondContact N-OG 3.45Å; Y80-I107 VanDerWaalsContact CE1-O 3.24Å; Y80-I107 WeakPolarHBondContact CE1-O 3.2Å; Y80-K108 HydrophobicContact CD1-CB 3.71Å; Y80-K108 HydrophobicContact CD1-CD 4.31Å; Y80-K108 HydrophobicContact CD1-CG 4.13Å; Y80-K108 HydrophobicContact CD2-CD 4.37Å; Y80-K108 HydrophobicContact CE1-CB 4Å; Y80-K108 HydrophobicContact CE1-CG 4.25Å; Y80-K108 HydrophobicContact CG-CB 4.3Å; Y80-K108 HydrophobicContact CG-CD 4.07Å; Y80-K108 HydrophobicContact CG-CG 4.37Å
81T96.1Very high96Very high64 Ų6449.5 Ų49.539%0.39328%0.28SS..EExtended strand (participates in β ladder)trans-125.9169.8-177.965.60000111.8F75 N77 V78F75-T81 WeakPolarHBondContact CB-O 3.31Å; N77-T81 WeakPolarHBondContact CB-O 3.4Å; N77-T81 PolarHBondContact N-O 2.82Å; V78-T81 PolarHBondContact O-N 3.22Å; V78-T81 PolarHBondContact O-OG1 3.14Å
82G96.7Very high96.1Very high58 Ų5850.1 Ų50.160%0.59829%0.29SS*.EExtended strand (participates in β ladder)trans86.4-149.717800000113.5D76D76-G82 VanDerWaalsContact OD1-CA 3.27Å; D76-G82 WeakPolarHBondContact OD1-CA 3.41Å
83R97.7Very high96.2Very high160 Ų16052 Ų5260%0.60430%0.299SS*.EExtended strand (participates in β ladder)trans-67145.7175.9-63.6-179.3177.6-164-0.4109.7F75 D76 G100 F101F75-R83 VanDerWaalsContact CA-O 3.31Å; F75-R83 WeakPolarHBondContact CA-O 3.49Å; D76-R83 HydrophobicContact CB-CB 4.29Å; D76-R83 PolarHBondContact N-O 2.85Å; D76-R83 PolarHBondContact OD1-N 2.79Å; D76-R83 WeakPolarHBondContact OD2-CB 3.3Å; D76-R83 WeakPolarHBondContact OD2-CD 3.2Å; D76-R83 VanDerWaalsContact OD2-CG 3.27Å; D76-R83 WeakPolarHBondContact OD2-CG 3.22Å; R83-G100 WeakPolarHBondContact CD-O 3.16Å; R83-G100 PolarHBondContact NH1-O 3.17Å; R83-F101 HydrophobicContact CB-CD1 3.68Å; R83-F101 HydrophobicContact CB-CE1 4.16Å; R83-F101 HydrophobicContact CB-CG 4.42Å
84I96.9Very high96.2Very high93 Ų9352.7 Ų52.748%0.47731%0.307SS..EExtended strand (participates in β ladder)trans-127.5138-174-170.8171.1000111.2Y73 L74 F75Y73-I84 HydrophobicContact CD1-CD1 3.33Å; Y73-I84 HydrophobicContact CD1-CG1 3.55Å; Y73-I84 HydrophobicContact CD2-CD1 4.41Å; Y73-I84 HydrophobicContact CE1-CD1 3.69Å; Y73-I84 HydrophobicContact CE1-CG1 4.19Å; Y73-I84 HydrophobicContact CG-CD1 3.74Å; Y73-I84 HydrophobicContact CG-CG1 4.16Å; L74-I84 WeakPolarHBondContact O-CA 3.21Å; F75-I84 HydrophobicContact CD1-CB 4.28Å; F75-I84 HydrophobicContact CD1-CD1 4.45Å; F75-I84 HydrophobicContact CD1-CG1 4.24Å; F75-I84 HydrophobicContact CE1-CB 4.11Å; F75-I84 HydrophobicContact CE1-CD1 3.51Å; F75-I84 HydrophobicContact CE1-CG1 3.76Å; F75-I84 HydrophobicContact CZ-CD1 3.6Å; F75-I84 HydrophobicContact CZ-CG1 4.02Å
85T97.2Very high96.2Very high25 Ų2553.9 Ų53.915%0.15331%0.313CS..EExtended strand (participates in β ladder)trans-126.8127.3168.3-64.70000108.3Y73 L74 L87 I93 F96 F101Y73-T85 CarbonylContact C-O 3.58Å; Y73-T85 WeakPolarHBondContact CA-O 3.42Å; L74-T85 PolarHBondContact N-O 3.04Å; L74-T85 PolarHBondContact O-N 3.26Å; T85-L87 HydrophobicContact CG2-CD1 4Å; T85-I93 HydrophobicContact CG2-CD1 3.44Å; T85-I93 VanDerWaalsContact CG2-CD1 3.44Å; T85-F96 HydrophobicContact CG2-CE2 4.32Å; T85-F101 WeakPolarHBondContact OG1-CE1 3.26Å
86G96Very high96.1Very high32 Ų3253.1 Ų53.133%0.3331%0.31SS..EExtended strand (participates in β ladder)trans-106.6135.7178.800000111.8W72W72-G86 CarbonylContact O-C 3.56Å; W72-G86 WeakPolarHBondContact O-CA 3.12Å
87L96.5Very high95.9Very high0 Ų053.5 Ų53.50%031%0.314CS..EExtended strand (participates in β ladder)trans-127.9125.3175.6-61.793.2000109.8V58 V60 Y71 W72 L74 T85 I93V58-L87 HydrophobicContact CB-CD2 4.23Å; V58-L87 HydrophobicContact CG1-CD1 4.47Å; V58-L87 HydrophobicContact CG1-CD2 3.95Å; V60-L87 HydrophobicContact CG2-CB 3.65Å; Y71-L87 CarbonylContact C-O 3.39Å; Y71-L87 WeakPolarHBondContact CA-O 3.42Å; W72-L87 PolarHBondContact N-O 3.12Å; W72-L87 PolarHBondContact O-N 3.38Å; L74-L87 HydrophobicContact CD1-CD1 3.69Å; L74-L87 HydrophobicContact CG-CD1 3.99Å; T85-L87 HydrophobicContact CG2-CD1 4Å; L87-I93 HydrophobicContact CD1-CD1 4.1Å; L87-I93 HydrophobicContact CD2-CD1 3.84Å; L87-I93 HydrophobicContact CD2-CG1 3.84Å; L87-I93 HydrophobicContact CG-CD1 3.98Å; L87-I93 HydrophobicContact CG-CG1 4.39Å
88G93.6Very high95.7Very high9 Ų957.7 Ų57.79%0.09333%0.329CS..EExtended strand (participates in β ladder)trans-89.6169170.300000111.7V60 T91V60-G88 WeakPolarHBondContact CB-O 3.09Å; G88-T91 WeakPolarHBondContact O-CB 3.17Å; G88-T91 PolarHBondContact O-N 2.76Å; G88-T91 VanDerWaalsContact O-N 3.14Å; G88-T91 PolarHBondContact O-OG1 2.75Å
89H92.2Very high95.4Very high34 Ų3457 Ų5716%0.15733%0.326CS..THydrogen-bonded Turntrans-50.3141.8173.780.6138.4000112.8N63 R69 P70 T91N63-H89 HydrophobicContact CB-CB 4.44Å; N63-H89 PolarHBondContact O-ND1 3.41Å; R69-H89 HydrophobicContact CB-CB 4.34Å; R69-H89 VanDerWaalsContact CD-CE1 3.5Å; R69-H89 WeakPolarHBondContact CD-CE1 3.33Å; R69-H89 VanDerWaalsContact CD-NE2 3.32Å; R69-H89 WeakPolarHBondContact CD-NE2 3.36Å; R69-H89 PolarHBondContact NE-CE1 2.87Å; R69-H89 PolarHBondContact NH1-NE2 3Å; P70-H89 HydrophobicContact CG-CB 3.77Å; P70-H89 PolarHBondContact O-N 2.78Å; H89-T91 PolarHBondContact O-N 3.15Å
90G92.5Very high95.1Very high43 Ų4353.8 Ų53.844%0.44332%0.32SS..THydrogen-bonded Turntrans68.16.7-178.700000115.1V60 P61V60-G90 WeakPolarHBondContact O-CA 3.44Å; V60-G90 PolarHBondContact O-N 3.3Å; P61-G90 PolarHBondContact O-N 3.42Å
91T95.2Very high95.1Very high63 Ų6351.8 Ų51.839%0.38731%0.313SS..  trans-99.4136.6178.2-51.90000110.3C59 V60 G88 H89C59-T91 WeakPolarHBondContact CA-O 3.42Å; V60-T91 PolarHBondContact N-O 3.16Å; G88-T91 WeakPolarHBondContact O-CB 3.17Å; G88-T91 PolarHBondContact O-N 2.76Å; G88-T91 VanDerWaalsContact O-N 3.14Å; G88-T91 PolarHBondContact O-OG1 2.75Å; H89-T91 PolarHBondContact O-N 3.15Å
92C96.8Very high95Very high53 Ų5355.2 Ų55.236%0.35832%0.322SS..EExtended strand (participates in β ladder)trans-122.2152.3171.4-68.60000110.8E35 V58 C59E35-C92 WeakPolarHBondContact OE1-CB 3.44Å; V58-C92 CarbonylContact O-C 3.58Å; V58-C92 VanDerWaalsContact O-CA 3.3Å; V58-C92 WeakPolarHBondContact O-CA 3.07Å; C59-C92 HydrophobicContact CB-CB 4.2Å; C59-C92 WeakPolarHBondContact CB-SG 3.32Å; C59-C92 WeakPolarHBondContact SG-CB 2.94Å; C59-C92 CovalentContact SG-SG 2.04Å; C59-C92 PolarHBondContact SG-SG 3.34Å
93I97.6Very high95Very high38 Ų3853.3 Ų53.320%0.19530%0.302CS..EExtended strand (participates in β ladder)trans-116.198.7166.4-60.3174000106.3S57 V58 T85 L87 D95 F96S57-I93 WeakPolarHBondContact CA-O 3.12Å; S57-I93 WeakPolarHBondContact CB-O 3.27Å; V58-I93 PolarHBondContact N-O 3.39Å; V58-I93 PolarHBondContact O-N 3.28Å; T85-I93 HydrophobicContact CG2-CD1 3.44Å; T85-I93 VanDerWaalsContact CG2-CD1 3.44Å; L87-I93 HydrophobicContact CD1-CD1 4.1Å; L87-I93 HydrophobicContact CD2-CD1 3.84Å; L87-I93 HydrophobicContact CD2-CG1 3.84Å; L87-I93 HydrophobicContact CG-CD1 3.98Å; L87-I93 HydrophobicContact CG-CG1 4.39Å; I93-D95 PolarHBondContact O-N 3.06Å; I93-F96 HydrophobicContact CB-CD2 4.49Å; I93-F96 HydrophobicContact CD1-CD2 4.16Å; I93-F96 HydrophobicContact CD1-CE2 4.37Å; I93-F96 HydrophobicContact CG2-CB 4.35Å; I93-F96 HydrophobicContact CG2-CD2 4.2Å
94D97.4Very high95Very high71 Ų7145.7 Ų45.738%0.3827%0.274SS..SBendtrans-61.7-31.2-173.4-54.81.8000113T33 Y34 S57T33-D94 CarbonylContact C-O 3.53Å; T33-D94 WeakPolarHBondContact CA-O 2.85Å; T33-D94 WeakPolarHBondContact CB-O 3.33Å; Y34-D94 HydrophobicContact CD1-CB 3.51Å; Y34-D94 HydrophobicContact CE1-CB 3.64Å; Y34-D94 HydrophobicContact CG-CB 4.13Å; Y34-D94 PolarHBondContact N-O 2.98Å; S57-D94 WeakPolarHBondContact CB-O 3.34Å
95D97.3Very high95Very high26 Ų2641.8 Ų41.814%0.13926%0.255CS..  trans-133.586.3175.8-171.5-14.4000109.9T33 I93 T97 K98T33-D95 HydrophobicContact CG2-CB 4.18Å; I93-D95 PolarHBondContact O-N 3.06Å; D95-T97 PolarHBondContact O-N 3.42Å; D95-T97 WeakPolarHBondContact OD1-CB 3.34Å; D95-T97 PolarHBondContact OD1-N 3.06Å; D95-T97 VanDerWaalsContact OD1-N 3.16Å; D95-T97 PolarHBondContact OD1-OG1 3.31Å; D95-K98 PolarHBondContact O-N 3.42Å; D95-K98 PolarHBondContact OD1-N 3.08Å; D95-K98 WeakPolarHBondContact OD2-CD 3.11Å; D95-K98 WeakPolarHBondContact OD2-CE 3.15Å; D95-K98 WeakPolarHBondContact OD2-CG 2.76Å; D95-K98 IonicContact OD2-NZ 3.5Å; D95-K98 PolarHBondContact OD2-NZ 3.18Å
96F97.2Very high95Very high0 Ų040.6 Ų40.60%025%0.247CC..G310 helixtrans-65.5-24.5179.5-168-98.9000112P55 G56 V58 L74 T85 I93 K98 S99 F101 I104P55-F96 HydrophobicContact CG-CB 4.4Å; P55-F96 HydrophobicContact CG-CD1 3.67Å; P55-F96 HydrophobicContact CG-CE1 4.17Å; P55-F96 HydrophobicContact CG-CG 4.06Å; G56-F96 PolarHBondContact O-N 3.43Å; V58-F96 HydrophobicContact CB-CD2 4.45Å; V58-F96 HydrophobicContact CG2-CB 4.29Å; V58-F96 HydrophobicContact CG2-CD2 3.79Å; V58-F96 HydrophobicContact CG2-CE2 4.31Å; V58-F96 HydrophobicContact CG2-CG 4Å; L74-F96 HydrophobicContact CD1-CD2 4.47Å; L74-F96 HydrophobicContact CD1-CE2 3.56Å; L74-F96 HydrophobicContact CD1-CZ 3.84Å; T85-F96 HydrophobicContact CG2-CE2 4.32Å; I93-F96 HydrophobicContact CB-CD2 4.49Å; I93-F96 HydrophobicContact CD1-CD2 4.16Å; I93-F96 HydrophobicContact CD1-CE2 4.37Å; I93-F96 HydrophobicContact CG2-CB 4.35Å; I93-F96 HydrophobicContact CG2-CD2 4.2Å; F96-K98 PolarHBondContact O-N 3.4Å; F96-S99 WeakPolarHBondContact O-CB 3.16Å; F96-S99 PolarHBondContact O-N 3.37Å; F96-S99 PolarHBondContact O-OG 3.33Å; F96-F101 HydrophobicContact CE1-CD2 4.19Å; F96-F101 HydrophobicContact CE1-CE2 4.11Å; F96-F101 WeakPolarHBondContact CE1-O 3.25Å; F96-F101 HydrophobicContact CZ-CD2 4.04Å; F96-F101 AromaticContact CZ-CE2 3.6Å; F96-F101 HydrophobicContact CZ-CE2 3.6Å; F96-F101 AromaticContact CZ-CZ 3.96Å; F96-F101 HydrophobicContact CZ-CZ 3.96Å; F96-I104 HydrophobicContact CE1-CD1 4Å; F96-I104 HydrophobicContact CE1-CG1 3.82Å; F96-I104 HydrophobicContact CZ-CD1 4.02Å; F96-I104 HydrophobicContact CZ-CG1 3.87Å
97T92.9Very high95Very high60 Ų6039 Ų3937%0.36823%0.231SC..G310 helixtrans-68-21.5179.681.10000113D95 K102D95-T97 PolarHBondContact O-N 3.42Å; D95-T97 WeakPolarHBondContact OD1-CB 3.34Å; D95-T97 PolarHBondContact OD1-N 3.06Å; D95-T97 VanDerWaalsContact OD1-N 3.16Å; D95-T97 PolarHBondContact OD1-OG1 3.31Å; T97-K102 VanDerWaalsContact O-CE 3.25Å; T97-K102 WeakPolarHBondContact O-CE 3.44Å
98K93.1Very high95Very high165 Ų16541.1 Ų41.172%0.71724%0.241SC*.G310 helixtrans-96.12.1172.4-66.9-178.1-173135.10113.4D95 F96D95-K98 PolarHBondContact O-N 3.42Å; D95-K98 PolarHBondContact OD1-N 3.08Å; D95-K98 WeakPolarHBondContact OD2-CD 3.11Å; D95-K98 WeakPolarHBondContact OD2-CE 3.15Å; D95-K98 WeakPolarHBondContact OD2-CG 2.76Å; D95-K98 IonicContact OD2-NZ 3.5Å; D95-K98 PolarHBondContact OD2-NZ 3.18Å; F96-K98 PolarHBondContact O-N 3.4Å
99S88.5Confident95.1Very high30 Ų3043.9 Ų43.921%0.2125%0.248CC..SBendtrans-72.1178.8171.987.60000111F96 F101F96-S99 WeakPolarHBondContact O-CB 3.16Å; F96-S99 PolarHBondContact O-N 3.37Å; F96-S99 PolarHBondContact O-OG 3.33Å; S99-F101 PolarHBondContact O-N 3.15Å; S99-F101 PolarHBondContact OG-O 3.2Å
100G89.3Confident95.2Very high48 Ų4842.2 Ų42.250%0.49524%0.241SC..SBendtrans-58.8-15.3-179.700000115R83R83-G100 WeakPolarHBondContact CD-O 3.16Å; R83-G100 PolarHBondContact NH1-O 3.17Å
101F95.8Very high95.1Very high16 Ų1641.4 Ų41.47%0.0723%0.226CC..  trans-158.3159.9173.857.9-86.7000110.9L74 D76 R83 T85 F96 S99 G103 I104L74-F101 HydrophobicContact CB-CE2 4.33Å; L74-F101 HydrophobicContact CB-CZ 3.88Å; L74-F101 WeakPolarHBondContact O-CZ 3.41Å; D76-F101 HydrophobicContact CB-CB 3.9Å; D76-F101 HydrophobicContact CB-CD1 4.31Å; D76-F101 HydrophobicContact CB-CD2 3.72Å; D76-F101 HydrophobicContact CB-CE2 4.26Å; D76-F101 HydrophobicContact CB-CG 3.73Å; R83-F101 HydrophobicContact CB-CD1 3.68Å; R83-F101 HydrophobicContact CB-CE1 4.16Å; R83-F101 HydrophobicContact CB-CG 4.42Å; T85-F101 WeakPolarHBondContact OG1-CE1 3.26Å; F96-F101 HydrophobicContact CE1-CD2 4.19Å; F96-F101 HydrophobicContact CE1-CE2 4.11Å; F96-F101 WeakPolarHBondContact CE1-O 3.25Å; F96-F101 HydrophobicContact CZ-CD2 4.04Å; F96-F101 AromaticContact CZ-CE2 3.6Å; F96-F101 HydrophobicContact CZ-CE2 3.6Å; F96-F101 AromaticContact CZ-CZ 3.96Å; F96-F101 HydrophobicContact CZ-CZ 3.96Å; S99-F101 PolarHBondContact O-N 3.15Å; S99-F101 PolarHBondContact OG-O 3.2Å; F101-G103 VanDerWaalsContact CD2-O 3.26Å; F101-G103 WeakPolarHBondContact CD2-O 2.84Å; F101-I104 HydrophobicContact CE2-CG1 4.03Å
102K94.6Very high94.9Very high135 Ų13540.6 Ų40.659%0.58722%0.218SC*.SBendtrans-103.2-28.6-175.7-57.9-173.6-179.2-175.70114.2T54 T97T54-K102 WeakPolarHBondContact CA-O 2.79Å; T97-K102 VanDerWaalsContact O-CE 3.25Å; T97-K102 WeakPolarHBondContact O-CE 3.44Å
103G95.9Very high94.5Very high18 Ų1839.7 Ų39.719%0.18621%0.21CC..  trans-111.6129.5-174.900000111.6W53 D76 F101W53-G103 CarbonylContact O-C 3.54Å; W53-G103 WeakPolarHBondContact O-CA 3.41Å; D76-G103 WeakPolarHBondContact CA-O 3.41Å; F101-G103 VanDerWaalsContact CD2-O 3.26Å; F101-G103 WeakPolarHBondContact CD2-O 2.84Å
104I97.8Very high93.9Very high0 Ų044.7 Ų44.70%023%0.231CC..BIsolated β-bridgetrans-99.2115.4179-56.4163.4000108.2L29 L49 P52 W53 P55 L74 F75 F96 F101 S106 I107L29-I104 HydrophobicContact CD2-CD1 3.57Å; L49-I104 HydrophobicContact CD1-CG2 4.21Å; L49-I104 WeakPolarHBondContact CD1-O 3.32Å; P52-I104 CarbonylContact C-O 3.37Å; P52-I104 VanDerWaalsContact CA-O 3.29Å; P52-I104 WeakPolarHBondContact CA-O 3.23Å; W53-I104 PolarHBondContact N-O 2.98Å; W53-I104 PolarHBondContact O-N 3.47Å; P55-I104 HydrophobicContact CG-CD1 3.69Å; L74-I104 HydrophobicContact CB-CG1 4.35Å; L74-I104 HydrophobicContact CB-CG2 4.29Å; L74-I104 HydrophobicContact CD1-CD1 3.86Å; L74-I104 HydrophobicContact CD1-CG1 4.43Å; L74-I104 HydrophobicContact CD2-CD1 4.33Å; L74-I104 HydrophobicContact CD2-CG2 4.43Å; L74-I104 HydrophobicContact CG-CD1 4.47Å; F75-I104 CarbonylContact O-C 3.33Å; F75-I104 WeakPolarHBondContact O-CA 3.1Å; F96-I104 HydrophobicContact CE1-CD1 4Å; F96-I104 HydrophobicContact CE1-CG1 3.82Å; F96-I104 HydrophobicContact CZ-CD1 4.02Å; F96-I104 HydrophobicContact CZ-CG1 3.87Å; F101-I104 HydrophobicContact CE2-CG1 4.03Å; I104-S106 WeakPolarHBondContact CG2-O 3.41Å; I104-I107 HydrophobicContact CG2-CD1 4.11Å; I104-I107 HydrophobicContact CG2-CG1 3.51Å
105S97.6Very high93.4Very high11 Ų1148.8 Ų48.88%0.07725%0.252CS..SBendtrans-102.8-16.7179.7-59.30000112.7S48 L49 P52 F75 D76S48-S105 CarbonylContact C-O 3.48Å; S48-S105 WeakPolarHBondContact CA-O 3.5Å; L49-S105 PolarHBondContact N-O 3.35Å; P52-S105 WeakPolarHBondContact CG-OG 3.33Å; F75-S105 PolarHBondContact O-N 3.4Å; D76-S105 WeakPolarHBondContact O-CB 3.1Å; D76-S105 PolarHBondContact O-OG 3.41Å
106S97.1Very high92.9Very high0 Ų049.4 Ų49.40%027%0.265CS..EExtended strand (participates in β ladder)trans-154.5155.4166.1620000112.3V46 F75 N77 Y80 I104V46-S106 CarbonylContact O-C 3.55Å; V46-S106 VanDerWaalsContact O-CA 3.24Å; V46-S106 WeakPolarHBondContact O-CA 3.06Å; V46-S106 WeakPolarHBondContact O-CB 3.48Å; F75-S106 WeakPolarHBondContact CB-OG 3.41Å; F75-S106 PolarHBondContact N-O 2.81Å; F75-S106 PolarHBondContact O-N 3.5Å; N77-S106 PolarHBondContact O-OG 2.01Å; Y80-S106 VanDerWaalsContact CA-OG 3.28Å; Y80-S106 WeakPolarHBondContact CA-OG 3.41Å; Y80-S106 PolarHBondContact N-OG 3.45Å; I104-S106 WeakPolarHBondContact CG2-O 3.41Å
107I96.8Very high92.6Very high0 Ų055.5 Ų55.50%029%0.291CS..EExtended strand (participates in β ladder)trans-131.9125.1-174.5-61.2173.5000108.6L27 V42 S45 V46 L49 W53 W72 Y73 L74 Y80 I104L27-I107 HydrophobicContact CD2-CD1 4.1Å; L27-I107 HydrophobicContact CD2-CG2 3.75Å; V42-I107 HydrophobicContact CG1-CD1 4.34Å; V42-I107 HydrophobicContact CG1-CG2 4.29Å; V42-I107 HydrophobicContact CG2-CD1 4.16Å; S45-I107 CarbonylContact C-O 3.54Å; S45-I107 WeakPolarHBondContact CA-O 3.49Å; S45-I107 VanDerWaalsContact CB-O 3.24Å; S45-I107 WeakPolarHBondContact CB-O 3.31Å; V46-I107 PolarHBondContact N-O 2.81Å; V46-I107 PolarHBondContact O-N 3.09Å; L49-I107 HydrophobicContact CD1-CD1 3.95Å; L49-I107 HydrophobicContact CD1-CG1 4.19Å; W53-I107 HydrophobicContact CE3-CD1 4.37Å; W53-I107 HydrophobicContact CZ3-CD1 4.47Å; W72-I107 HydrophobicContact CE3-CG2 3.48Å; W72-I107 VanDerWaalsContact CE3-CG2 3.48Å; W72-I107 HydrophobicContact CZ3-CG2 3.61Å; Y73-I107 CarbonylContact O-C 3.56Å; Y73-I107 WeakPolarHBondContact O-CA 3.15Å; L74-I107 HydrophobicContact CD2-CG1 4.03Å; L74-I107 HydrophobicContact CD2-CG2 4.11Å; Y80-I107 VanDerWaalsContact CE1-O 3.24Å; Y80-I107 WeakPolarHBondContact CE1-O 3.2Å; I104-I107 HydrophobicContact CG2-CD1 4.11Å; I104-I107 HydrophobicContact CG2-CG1 3.51Å
108K96Very high92.6Very high44 Ų4454.6 Ų54.619%0.19129%0.286CS..EExtended strand (participates in β ladder)trans-113122177.8-158.5175.4-167.4-179.40110.8Y73 F75 Y80 C120Y73-K108 PolarHBondContact N-O 2.89Å; Y73-K108 PolarHBondContact O-N 2.96Å; F75-K108 HydrophobicContact CE2-CB 3.78Å; Y80-K108 HydrophobicContact CD1-CB 3.71Å; Y80-K108 HydrophobicContact CD1-CD 4.31Å; Y80-K108 HydrophobicContact CD1-CG 4.13Å; Y80-K108 HydrophobicContact CD2-CD 4.37Å; Y80-K108 HydrophobicContact CE1-CB 4Å; Y80-K108 HydrophobicContact CE1-CG 4.25Å; Y80-K108 HydrophobicContact CG-CB 4.3Å; Y80-K108 HydrophobicContact CG-CD 4.07Å; Y80-K108 HydrophobicContact CG-CG 4.37Å; K108-C120 HydrophobicContact CD-CB 4Å; K108-C120 HydrophobicContact CG-CB 4.38Å
109R94.7Very high92.6Very high66 Ų6650.6 Ų50.625%0.24927%0.27CS..EExtended strand (participates in β ladder)trans-80.8131170.5-172.1175.2171-166.2-7.4110.2Y43 S45 W72 I121Y43-R109 WeakPolarHBondContact O-CD 3Å; Y43-R109 PolarHBondContact O-NH1 2.9Å; S45-R109 PolarHBondContact OG-N 3.47Å; W72-R109 HydrophobicContact CD2-CB 4.4Å; W72-R109 HydrophobicContact CD2-CG 4.38Å; W72-R109 HydrophobicContact CE3-CB 3.95Å; W72-R109 HydrophobicContact CE3-CG 4.39Å; W72-R109 HydrophobicContact CH2-CB 3.7Å; W72-R109 HydrophobicContact CH2-CG 3.78Å; W72-R109 HydrophobicContact CZ2-CB 4.14Å; W72-R109 HydrophobicContact CZ2-CG 3.72Å; W72-R109 HydrophobicContact CZ3-CB 3.59Å; W72-R109 HydrophobicContact CZ3-CG 4.12Å; R109-I121 PolarHBondContact O-N 2.54Å
110C94.5Very high92.7Very high0 Ų051.2 Ų51.20%027%0.274CS..EExtended strand (participates in β ladder)trans-133.6175.2176.6-47.40000109.5Y71 Y73 V118 E119 C120Y71-C110 PolarHBondContact N-O 3.01Å; Y71-C110 VanDerWaalsContact N-O 3.12Å; Y71-C110 CarbonylContact O-C 3.34Å; Y71-C110 VanDerWaalsContact O-C 3.3Å; Y71-C110 VanDerWaalsContact O-CA 3.29Å; Y71-C110 WeakPolarHBondContact O-CA 3.42Å; Y71-C110 WeakPolarHBondContact O-CB 3.22Å; Y71-C110 PolarHBondContact O-N 3.47Å; Y73-C110 VanDerWaalsContact CD2-SG 3.58Å; C110-V118 HydrophobicContact CB-CG1 3.7Å; C110-E119 CarbonylContact C-O 3.57Å; C110-E119 WeakPolarHBondContact CA-O 3.46Å; C110-E119 WeakPolarHBondContact CB-O 3.38Å; C110-C120 HydrophobicContact CB-CB 3.91Å; C110-C120 WeakPolarHBondContact CB-SG 3.36Å; C110-C120 WeakPolarHBondContact SG-CA 3.33Å; C110-C120 WeakPolarHBondContact SG-CB 3.37Å; C110-C120 CovalentContact SG-SG 2.05Å; C110-C120 PolarHBondContact SG-SG 3.48Å
111I91.5Very high92.2Very high26 Ų2652.7 Ų52.713%0.13327%0.27CS..EExtended strand (participates in β ladder)trans-124.1141.8172.157170.8000108.4E68 R69 V118 E119 I121E68-I111 HydrophobicContact CB-CB 4.44Å; E68-I111 HydrophobicContact CB-CG2 4.5Å; E68-I111 HydrophobicContact CG-CD1 4.2Å; R69-I111 CarbonylContact O-C 3.5Å; R69-I111 WeakPolarHBondContact O-CA 3.41Å; I111-V118 CarbonylContact O-C 3.3Å; I111-V118 VanDerWaalsContact O-CA 3.32Å; I111-V118 WeakPolarHBondContact O-CA 3.33Å; I111-E119 HydrophobicContact CG1-CB 4.06Å; I111-E119 WeakPolarHBondContact CG1-O 3.28Å; I111-E119 PolarHBondContact N-O 3.09Å; I111-E119 PolarHBondContact O-N 2.74Å; I111-I121 HydrophobicContact CG2-CD1 4.39Å
112Q90.1Very high90.9Very high46 Ų4658.1 Ų58.122%0.21530%0.299CS..EExtended strand (participates in β ladder)trans-103119.8168.3-170176.935.600108.6R69 Y71 G116 K117 V118R69-Q112 HydrophobicContact CB-CB 4.37Å; R69-Q112 PolarHBondContact N-O 2.8Å; R69-Q112 PolarHBondContact O-N 3.39Å; Y71-Q112 HydrophobicContact CD2-CB 4.32Å; Q112-G116 PolarHBondContact NE2-O 2.04Å; Q112-K117 WeakPolarHBondContact CA-O 3.44Å; Q112-V118 HydrophobicContact CB-CG2 4.28Å; Q112-V118 HydrophobicContact CG-CG2 4.1Å
113T88.4Confident89.2Confident33 Ų3355.4 Ų55.420%0.20229%0.288CS..  trans-71.4165.1174.862.80000110.7D115 G116 K117T113-D115 PolarHBondContact O-N 2.97Å; T113-G116 PolarHBondContact O-N 2.93Å; T113-K117 PolarHBondContact N-O 2.93Å; T113-K117 WeakPolarHBondContact OG1-CB 3.42Å; T113-K117 PolarHBondContact OG1-N 3.34Å; T113-K117 PolarHBondContact OG1-O 2.7Å
114K85.8Confident86.9Confident143 Ų14360 Ų6062%0.62232%0.315SS*.THydrogen-bonded Turntrans-57.3-31.5175.8-71.6-175.2177.6179.50113.4K66 G116K66-K114 WeakPolarHBondContact O-CE 3.44Å; K66-K114 WeakPolarHBondContact O-CG 3.4Å; K114-G116 PolarHBondContact O-N 3.18Å
115D87.5Confident84.3Confident157 Ų15769.8 Ų69.884%0.8436%0.358SS*.THydrogen-bonded Turntrans-79.34.6-179.6-53-33.5000112.2T113 K117T113-D115 PolarHBondContact O-N 2.97Å; D115-K117 VanDerWaalsContact C-N 3.28Å; D115-K117 PolarHBondContact O-N 2.88Å
116G86.5Confident81.7Confident39 Ų3979.2 Ų79.240%0.40239%0.392SS..SBendtrans85.2-8.6178.300000114.4Q112 T113 K114 V118Q112-G116 PolarHBondContact NE2-O 2.04Å; T113-G116 PolarHBondContact O-N 2.93Å; K114-G116 PolarHBondContact O-N 3.18Å; G116-V118 PolarHBondContact O-N 3.34Å
117K91Very high78.7Confident128 Ų12890.1 Ų90.156%0.55743%0.433SS*.  trans-66.3131.2176.6-174.2-172.9180-163.10110.6Q112 T113 D115 E119Q112-K117 WeakPolarHBondContact CA-O 3.44Å; T113-K117 PolarHBondContact N-O 2.93Å; T113-K117 WeakPolarHBondContact OG1-CB 3.42Å; T113-K117 PolarHBondContact OG1-N 3.34Å; T113-K117 PolarHBondContact OG1-O 2.7Å; D115-K117 VanDerWaalsContact C-N 3.28Å; D115-K117 PolarHBondContact O-N 2.88Å; K117-E119 HydrophobicContact CD-CG 4.12Å; K117-E119 WeakPolarHBondContact CD-OE1 3.43Å; K117-E119 VanDerWaalsContact CE-OE1 3.23Å; K117-E119 WeakPolarHBondContact CE-OE1 3.37Å; K117-E119 HydrophobicContact CG-CG 4.21Å; K117-E119 IonicContact NZ-OE1 2.69Å; K117-E119 PolarHBondContact NZ-OE1 3.28Å
118V93Very high75.7Confident41 Ų4199.7 Ų99.725%0.24847%0.469CS..EExtended strand (participates in β ladder)trans-96.4122.1174.3179.80000109.7Y71 Y73 C110 I111 Q112 G116Y71-V118 HydrophobicContact CD1-CG1 3.69Å; Y71-V118 HydrophobicContact CD1-CG2 4.21Å; Y71-V118 HydrophobicContact CD2-CG2 3.9Å; Y71-V118 HydrophobicContact CE1-CG1 4.28Å; Y71-V118 HydrophobicContact CE1-CG2 4.4Å; Y71-V118 HydrophobicContact CE2-CG2 4.09Å; Y71-V118 HydrophobicContact CG-CG1 3.93Å; Y71-V118 HydrophobicContact CG-CG2 3.97Å; Y73-V118 HydrophobicContact CE2-CG1 3.96Å; C110-V118 HydrophobicContact CB-CG1 3.7Å; I111-V118 CarbonylContact O-C 3.3Å; I111-V118 VanDerWaalsContact O-CA 3.32Å; I111-V118 WeakPolarHBondContact O-CA 3.33Å; Q112-V118 HydrophobicContact CB-CG2 4.28Å; Q112-V118 HydrophobicContact CG-CG2 4.1Å; G116-V118 PolarHBondContact O-N 3.34Å
119E91.7Very high72.9Confident81 Ų81103.4 Ų103.438%0.37950%0.495SS..EExtended strand (participates in β ladder)trans-117.7121.8178-59.7-168.3158.500109.7C110 I111 K117C110-E119 CarbonylContact C-O 3.57Å; C110-E119 WeakPolarHBondContact CA-O 3.46Å; C110-E119 WeakPolarHBondContact CB-O 3.38Å; I111-E119 HydrophobicContact CG1-CB 4.06Å; I111-E119 WeakPolarHBondContact CG1-O 3.28Å; I111-E119 PolarHBondContact N-O 3.09Å; I111-E119 PolarHBondContact O-N 2.74Å; K117-E119 HydrophobicContact CD-CG 4.12Å; K117-E119 WeakPolarHBondContact CD-OE1 3.43Å; K117-E119 VanDerWaalsContact CE-OE1 3.23Å; K117-E119 WeakPolarHBondContact CE-OE1 3.37Å; K117-E119 HydrophobicContact CG-CG 4.21Å; K117-E119 IonicContact NZ-OE1 2.69Å; K117-E119 PolarHBondContact NZ-OE1 3.28Å
120C91.1Very high70Confident44 Ų44108.8 Ų108.830%0.29752%0.517SS..EExtended strand (participates in β ladder)trans-93132.8-175.9-65.60000112K108 C110 N122K108-C120 HydrophobicContact CD-CB 4Å; K108-C120 HydrophobicContact CG-CB 4.38Å; C110-C120 HydrophobicContact CB-CB 3.91Å; C110-C120 WeakPolarHBondContact CB-SG 3.36Å; C110-C120 WeakPolarHBondContact SG-CA 3.33Å; C110-C120 WeakPolarHBondContact SG-CB 3.37Å; C110-C120 CovalentContact SG-SG 2.05Å; C110-C120 PolarHBondContact SG-SG 3.48Å; C120-N122 PolarHBondContact O-N 2.99Å; C120-N122 VanDerWaalsContact O-N 3.09Å
121I79.3Confident67Low79 Ų79113.5 Ų113.541%0.40555%0.549SS..  trans-74.3107.9178.5-51.9174.2000106.6R109 I111 Q123R109-I121 PolarHBondContact O-N 2.54Å; I111-I121 HydrophobicContact CG2-CD1 4.39Å; I121-Q123 PolarHBondContact O-N 3.39Å; I121-Q123 VanDerWaalsContact O-N 3.09Å
122N68.2Low64.1Low130 Ų130124 Ų12470%0.69559%0.587SS**  trans-62.6114.9168.1-75.5-32.2000107C120C120-N122 PolarHBondContact O-N 2.99Å; C120-N122 VanDerWaalsContact O-N 3.09Å
123Q58.7Low61.6Low77 Ų77134.2 Ų134.236%0.3663%0.631SS.*  trans-56.3132.4170.5-83.2-168.1-2800108S45 I121 K125S45-Q123 PolarHBondContact O-NE2 2.71Å; I121-Q123 PolarHBondContact O-N 3.39Å; I121-Q123 VanDerWaalsContact O-N 3.09Å; Q123-K125 PolarHBondContact O-N 3.39Å
124P47.3Very low60.3Low114 Ų114139.3 Ų139.374%0.7465%0.653SS**  trans-54.4121.917121.7-29.5000106.1R126P124-R126 VanDerWaalsContact C-N 3.27Å; P124-R126 PolarHBondContact O-N 2.96Å
125K44.7Very low58.9Low207 Ų207139.1 Ų139.190%0.965%0.654SS**  trans-52.1101.8171.1-72.6-178179.3178.50105Q123 R127Q123-K125 PolarHBondContact O-N 3.39Å; K125-R127 PolarHBondContact O-N 3.46Å
126R42.7Very low57.4Low209 Ų209138.1 Ų138.179%0.78964%0.644SS**  trans-52.2115172.8-94.8-173.4169.4175.9-4104.2P124 R128P124-R126 VanDerWaalsContact C-N 3.27Å; P124-R126 PolarHBondContact O-N 2.96Å; R126-R128 PolarHBondContact O-N 3.24Å; R126-R128 VanDerWaalsContact O-N 3.09Å
127R33.6Very low55.7Low229 Ų229143.9 Ų143.986%0.86466%0.658SS**  trans-44124.5163.9-78.9-178173.6179.8-1.9105K125 T129K125-R127 PolarHBondContact O-N 3.46Å; R127-T129 PolarHBondContact O-N 3.22Å
128R33.1Very low53.4Low200 Ų200144.9 Ų144.976%0.75566%0.664SS**  trans-56.795.4173-80.3-177-176.61680.6106.8R126 Y130R126-R128 PolarHBondContact O-N 3.24Å; R126-R128 VanDerWaalsContact O-N 3.09Å; R128-Y130 VanDerWaalsContact C-N 3.32Å; R128-Y130 HydrophobicContact CB-CD2 4.12Å; R128-Y130 HydrophobicContact CB-CE2 3.86Å; R128-Y130 PolarHBondContact NH1-OH 3.13Å; R128-Y130 PolarHBondContact O-N 3.39Å
129T37Very low50.8Low122 Ų122151.9 Ų151.975%0.74869%0.692SS**  trans-76.199.6158.4-46.60000104R127 C131R127-T129 PolarHBondContact O-N 3.22Å; T129-C131 PolarHBondContact O-N 3.27Å
130Y34.3Very low47.9Very low179 Ų179156.9 Ų156.970%0.70272%0.715SS**  trans-61.9103.1166.9-73.4-94.9000106.7R128 R132R128-Y130 VanDerWaalsContact C-N 3.32Å; R128-Y130 HydrophobicContact CB-CD2 4.12Å; R128-Y130 HydrophobicContact CB-CE2 3.86Å; R128-Y130 PolarHBondContact NH1-OH 3.13Å; R128-Y130 PolarHBondContact O-N 3.39Å; Y130-R132 PolarHBondContact O-N 3.49Å
131C32.6Very low44.6Very low100 Ų100165.6 Ų165.668%0.67675%0.747SS**  trans-74109.2161.8-66.50000106.6T129 F133T129-C131 PolarHBondContact O-N 3.27Å; C131-F133 HydrophobicContact CB-CD2 4.06Å; C131-F133 HydrophobicContact CB-CE2 4.07Å
132R29.3Very low41.7Very low246 Ų246172.8 Ų172.893%0.92878%0.775SS**  trans-82.7108.5165.2-155.6-179-165.4176.43.1105.8Y130Y130-R132 PolarHBondContact O-N 3.49Å
133F38.6Very low39.3Very low261 Ų261176.7 Ų176.7100%1.14578%0.782SS**  trans-122.40159.7-73.4-75.8000107C131C131-F133 HydrophobicContact CB-CD2 4.06Å; C131-F133 HydrophobicContact CB-CE2 4.07Å

Retrieved 133 of 133 residues in 118.4 ms (Link to these results)

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