G4VLW5_SCHMA Loading...

Hypothetical Schistosoma spp. protein UPF0506

AlphaFold DB , UniProt , Accession G4VLW5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 96 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
1M63.9Low85.3Confident202 Ų202128.2 Ų128.2100%0.99563%0.627SS**  0-47.70-67.1-174.9-64.100111.9Q3 F4M1-Q3 PolarHBondContact O-N 3.26Å; M1-F4 PolarHBondContact O-N 3.39Å
2N77Confident85.5Confident124 Ų124127.9 Ų127.966%0.66363%0.626SS**Hα-helixtrans-61.1-35.7-177.7-59.9-5.9000114.7F4 Y5 Y6N2-F4 PolarHBondContact O-N 3.39Å; N2-Y5 WeakPolarHBondContact O-CB 3.06Å; N2-Y5 PolarHBondContact O-N 3.45Å; N2-Y6 HydrophobicContact CB-CE2 4.26Å; N2-Y6 WeakPolarHBondContact O-CD2 3.33Å; N2-Y6 PolarHBondContact O-N 3.46Å
3Q82.3Confident85.7Confident166 Ų166125.5 Ų125.578%0.77662%0.615SS**Hα-helixtrans-61.6-39.9-179.2-173.7175.9-8.100113.4M1 Y5 Y6 A7M1-Q3 PolarHBondContact O-N 3.26Å; Q3-Y5 VanDerWaalsContact C-N 3.31Å; Q3-Y5 PolarHBondContact O-N 3.46Å; Q3-Y6 PolarHBondContact O-N 3.31Å; Q3-A7 PolarHBondContact O-N 3.34Å
4F85.9Confident85.6Confident158 Ų158122.9 Ų122.969%0.69361%0.61SS**Hα-helixtrans-66.3-35.9177.7-69.8-73.2000111.9M1 N2 A7 I8M1-F4 PolarHBondContact O-N 3.39Å; N2-F4 PolarHBondContact O-N 3.39Å; F4-A7 PolarHBondContact O-N 3.05Å; F4-I8 WeakPolarHBondContact O-CG1 3.44Å; F4-I8 PolarHBondContact O-N 3.2Å
5Y88.7Confident85.2Confident153 Ų153118.7 Ų118.760%0.659%0.594SS**Hα-helixtrans-62.9-44.4178.4-176.6-99.7000111.8N2 Q3 A7 I8 L9N2-Y5 WeakPolarHBondContact O-CB 3.06Å; N2-Y5 PolarHBondContact O-N 3.45Å; Q3-Y5 VanDerWaalsContact C-N 3.31Å; Q3-Y5 PolarHBondContact O-N 3.46Å; Y5-A7 VanDerWaalsContact C-N 3.35Å; Y5-A7 PolarHBondContact O-N 3.29Å; Y5-I8 PolarHBondContact O-N 3.07Å; Y5-L9 HydrophobicContact CE1-CD1 3.72Å; Y5-L9 WeakPolarHBondContact O-CB 3.37Å; Y5-L9 PolarHBondContact O-N 3.24Å
6Y89.3Confident84.8Confident158 Ų158120 Ų12062%0.6260%0.595SS**Hα-helixtrans-62.8-40.3175.9-68.1-67.7000112.6N2 Q3 L9 M10N2-Y6 HydrophobicContact CB-CE2 4.26Å; N2-Y6 WeakPolarHBondContact O-CD2 3.33Å; N2-Y6 PolarHBondContact O-N 3.46Å; Q3-Y6 PolarHBondContact O-N 3.31Å; Y6-L9 PolarHBondContact O-N 3.32Å; Y6-M10 WeakPolarHBondContact O-CB 3.26Å; Y6-M10 VanDerWaalsContact O-CG 3.26Å; Y6-M10 WeakPolarHBondContact O-CG 3.46Å; Y6-M10 PolarHBondContact O-N 3.42Å
7A89.7Confident84.2Confident56 Ų56116.9 Ų116.946%0.46359%0.588SS.*Hα-helixtrans-62.2-45177.300000111.6Q3 F4 Y5 M10 V11Q3-A7 PolarHBondContact O-N 3.34Å; F4-A7 PolarHBondContact O-N 3.05Å; Y5-A7 VanDerWaalsContact C-N 3.35Å; Y5-A7 PolarHBondContact O-N 3.29Å; A7-M10 PolarHBondContact O-N 3.46Å; A7-V11 WeakPolarHBondContact O-CG2 3.38Å; A7-V11 PolarHBondContact O-N 2.92Å; A7-V11 VanDerWaalsContact O-N 3.07Å
8I90.2Very high83.6Confident111 Ų111119.6 Ų119.657%0.56959%0.591SS**Hα-helixtrans-63.4-43.9176.9-65.7167.2000110.7F4 Y5 M10 V11 M12F4-I8 WeakPolarHBondContact O-CG1 3.44Å; F4-I8 PolarHBondContact O-N 3.2Å; Y5-I8 PolarHBondContact O-N 3.07Å; I8-M10 VanDerWaalsContact C-N 3.35Å; I8-M10 PolarHBondContact O-N 2.91Å; I8-V11 PolarHBondContact O-N 2.95Å; I8-M12 HydrophobicContact CG2-CG 4.45Å; I8-M12 WeakPolarHBondContact O-CG 3.33Å; I8-M12 PolarHBondContact O-N 3.02Å
9L91.4Very high82.7Confident68 Ų68120.7 Ų120.736%0.35659%0.593SS.*Hα-helixtrans-64.9-38.6-179.3-164.4140.1000111.8Y5 Y6 M12 I13Y5-L9 HydrophobicContact CE1-CD1 3.72Å; Y5-L9 WeakPolarHBondContact O-CB 3.37Å; Y5-L9 PolarHBondContact O-N 3.24Å; Y6-L9 PolarHBondContact O-N 3.32Å; L9-M12 PolarHBondContact O-N 3.03Å; L9-I13 HydrophobicContact CD2-CD1 3.56Å; L9-I13 HydrophobicContact CD2-CG1 4.42Å; L9-I13 WeakPolarHBondContact O-CG1 3.29Å; L9-I13 PolarHBondContact O-N 3.38Å
10M89Confident81.5Confident123 Ų123119 Ų11961%0.60659%0.586SS**Hα-helixtrans-63.1-44.1172.7-73.3-70.3-7400112.1Y6 A7 I8 M12 I13 V14Y6-M10 WeakPolarHBondContact O-CB 3.26Å; Y6-M10 VanDerWaalsContact O-CG 3.26Å; Y6-M10 WeakPolarHBondContact O-CG 3.46Å; Y6-M10 PolarHBondContact O-N 3.42Å; A7-M10 PolarHBondContact O-N 3.46Å; I8-M10 VanDerWaalsContact C-N 3.35Å; I8-M10 PolarHBondContact O-N 2.91Å; M10-M12 VanDerWaalsContact C-N 3.32Å; M10-M12 PolarHBondContact O-N 3.35Å; M10-I13 PolarHBondContact O-N 3Å; M10-V14 VanDerWaalsContact O-CG2 3.29Å; M10-V14 WeakPolarHBondContact O-CG2 3.02Å; M10-V14 PolarHBondContact O-N 3.28Å
11V90.4Very high80.5Confident91 Ų91118.5 Ų118.555%0.55259%0.589SS**Hα-helixtrans-61.5-42.5176.7172.10000110.9A7 I8 V14 T15A7-V11 WeakPolarHBondContact O-CG2 3.38Å; A7-V11 PolarHBondContact O-N 2.92Å; A7-V11 VanDerWaalsContact O-N 3.07Å; I8-V11 PolarHBondContact O-N 2.95Å; V11-V14 PolarHBondContact O-N 3.45Å; V11-T15 HydrophobicContact CG1-CG2 4.4Å; V11-T15 WeakPolarHBondContact O-CG2 3.19Å; V11-T15 PolarHBondContact O-N 3.38Å; V11-T15 PolarHBondContact O-OG1 2.93Å
12M88.1Confident80.2Confident125 Ų125113.6 Ų113.662%0.61657%0.571SS**Hα-helixtrans-63.4-39.6176.9-70.9-69.2-70.600112.6I8 L9 M10 T15 F16I8-M12 HydrophobicContact CG2-CG 4.45Å; I8-M12 WeakPolarHBondContact O-CG 3.33Å; I8-M12 PolarHBondContact O-N 3.02Å; L9-M12 PolarHBondContact O-N 3.03Å; M10-M12 VanDerWaalsContact C-N 3.32Å; M10-M12 PolarHBondContact O-N 3.35Å; M12-T15 WeakPolarHBondContact CA-OG1 3.47Å; M12-T15 PolarHBondContact O-OG1 3.04Å; M12-T15 VanDerWaalsContact O-OG1 3.04Å; M12-F16 WeakPolarHBondContact O-CB 3.33Å; M12-F16 PolarHBondContact O-N 2.85Å
13I87.8Confident79.2Confident96 Ų96112.2 Ų112.249%0.49257%0.571SS.*Hα-helixtrans-68.1-43.4176.9-68168.6000110.7L9 M10 F16 S17L9-I13 HydrophobicContact CD2-CD1 3.56Å; L9-I13 HydrophobicContact CD2-CG1 4.42Å; L9-I13 WeakPolarHBondContact O-CG1 3.29Å; L9-I13 PolarHBondContact O-N 3.38Å; M10-I13 PolarHBondContact O-N 3Å; I13-F16 PolarHBondContact O-N 3.01Å; I13-S17 PolarHBondContact O-N 2.96Å; I13-S17 PolarHBondContact O-OG 3.06Å; I13-S17 VanDerWaalsContact O-OG 3.04Å
14V84.3Confident78.2Confident89 Ų89105.5 Ų105.554%0.53955%0.546SS..Hα-helixtrans-65.4-42.5179.61720000111.4M10 V11 S17 Y18M10-V14 VanDerWaalsContact O-CG2 3.29Å; M10-V14 WeakPolarHBondContact O-CG2 3.02Å; M10-V14 PolarHBondContact O-N 3.28Å; V11-V14 PolarHBondContact O-N 3.45Å; V14-S17 WeakPolarHBondContact CA-OG 3.36Å; V14-S17 PolarHBondContact O-OG 2.88Å; V14-Y18 WeakPolarHBondContact O-CB 3.48Å; V14-Y18 PolarHBondContact O-N 3.49Å
15T79.6Confident77.7Confident60 Ų60106.4 Ų106.437%0.36855%0.553SS.*Hα-helixtrans-66.2-43.2175.352.60000110.5V11 M12 S17 Y18 F19V11-T15 HydrophobicContact CG1-CG2 4.4Å; V11-T15 WeakPolarHBondContact O-CG2 3.19Å; V11-T15 PolarHBondContact O-N 3.38Å; V11-T15 PolarHBondContact O-OG1 2.93Å; M12-T15 WeakPolarHBondContact CA-OG1 3.47Å; M12-T15 PolarHBondContact O-OG1 3.04Å; M12-T15 VanDerWaalsContact O-OG1 3.04Å; T15-S17 PolarHBondContact O-N 3.34Å; T15-Y18 WeakPolarHBondContact O-CB 3.33Å; T15-Y18 PolarHBondContact O-N 3.28Å; T15-F19 WeakPolarHBondContact O-CD2 3.26Å; T15-F19 PolarHBondContact O-N 2.95Å
16F79.3Confident77.4Confident140 Ų140102.2 Ų102.261%0.61455%0.545SS*.Hα-helixtrans-60.7-47.1177.5-168.6-103.7000112M12 I13 Y18 F19 N20M12-F16 WeakPolarHBondContact O-CB 3.33Å; M12-F16 PolarHBondContact O-N 2.85Å; I13-F16 PolarHBondContact O-N 3.01Å; F16-Y18 VanDerWaalsContact C-N 3.3Å; F16-Y18 PolarHBondContact O-N 3.04Å; F16-F19 PolarHBondContact O-N 3.45Å; F16-F19 VanDerWaalsContact O-N 3.16Å; F16-N20 WeakPolarHBondContact CD1-ND2 3.49Å; F16-N20 WeakPolarHBondContact CE1-ND2 3.22Å; F16-N20 WeakPolarHBondContact CZ-ND2 3.18Å; F16-N20 PolarHBondContact O-N 3.46Å; F16-N20 PolarHBondContact O-ND2 2.73Å
17S75.2Confident77.1Confident68 Ų6898.9 Ų98.948%0.47653%0.531SS..Hα-helixtrans-63.3-36.8177.255.70000112.2I13 V14 T15 N20 V21I13-S17 PolarHBondContact O-N 2.96Å; I13-S17 PolarHBondContact O-OG 3.06Å; I13-S17 VanDerWaalsContact O-OG 3.04Å; V14-S17 WeakPolarHBondContact CA-OG 3.36Å; V14-S17 PolarHBondContact O-OG 2.88Å; T15-S17 PolarHBondContact O-N 3.34Å; S17-N20 PolarHBondContact O-N 3.25Å; S17-V21 PolarHBondContact O-N 3.4Å
18Y72.1Confident76.9Confident165 Ų16599.6 Ų99.665%0.64753%0.53SS*.Hα-helixtrans-64.1-39.6172.6-171.7-97.3000112.9V14 T15 F16 N20 V21 V22V14-Y18 WeakPolarHBondContact O-CB 3.48Å; V14-Y18 PolarHBondContact O-N 3.49Å; T15-Y18 WeakPolarHBondContact O-CB 3.33Å; T15-Y18 PolarHBondContact O-N 3.28Å; F16-Y18 VanDerWaalsContact C-N 3.3Å; F16-Y18 PolarHBondContact O-N 3.04Å; Y18-N20 VanDerWaalsContact C-N 3.33Å; Y18-N20 PolarHBondContact O-N 3.45Å; Y18-V21 HydrophobicContact CD2-CG1 4.43Å; Y18-V21 VanDerWaalsContact O-CG1 3.26Å; Y18-V21 WeakPolarHBondContact O-CG1 3.45Å; Y18-V21 PolarHBondContact O-N 3.49Å; Y18-V22 PolarHBondContact O-N 2.97Å
19F66.2Low76.6Confident141 Ų14197.8 Ų97.862%0.61852%0.524SS*.Hα-helixtrans-67-34.2174.3-79.4-68.1000112.5T15 F16 V22T15-F19 WeakPolarHBondContact O-CD2 3.26Å; T15-F19 PolarHBondContact O-N 2.95Å; F16-F19 PolarHBondContact O-N 3.45Å; F16-F19 VanDerWaalsContact O-N 3.16Å; F19-V22 VanDerWaalsContact O-CG1 3.22Å; F19-V22 WeakPolarHBondContact O-CG1 3.07Å; F19-V22 PolarHBondContact O-N 3.16Å
20N60.2Low76.2Confident86 Ų8696.8 Ų96.846%0.4653%0.53SS..Hα-helixtrans-72.7-33.6177.8-72.9-81.5000112.1F16 S17 Y18 V22 S23F16-N20 WeakPolarHBondContact CD1-ND2 3.49Å; F16-N20 WeakPolarHBondContact CE1-ND2 3.22Å; F16-N20 WeakPolarHBondContact CZ-ND2 3.18Å; F16-N20 PolarHBondContact O-N 3.46Å; F16-N20 PolarHBondContact O-ND2 2.73Å; S17-N20 PolarHBondContact O-N 3.25Å; Y18-N20 VanDerWaalsContact C-N 3.33Å; Y18-N20 PolarHBondContact O-N 3.45Å; N20-V22 PolarHBondContact O-N 2.79Å; N20-S23 PolarHBondContact O-N 3.23Å; N20-S23 PolarHBondContact O-OG 2.91Å
21V59.8Low76Confident108 Ų10894.9 Ų94.966%0.65552%0.519SS*.Hα-helixtrans-69.2-19.417778.70000112.9S17 Y18 S23S17-V21 PolarHBondContact O-N 3.4Å; Y18-V21 HydrophobicContact CD2-CG1 4.43Å; Y18-V21 VanDerWaalsContact O-CG1 3.26Å; Y18-V21 WeakPolarHBondContact O-CG1 3.45Å; Y18-V21 PolarHBondContact O-N 3.49Å; V21-S23 PolarHBondContact O-N 3.27Å
22V57.1Low75.8Confident99 Ų9996.9 Ų96.960%0.652%0.523SS*.THydrogen-bonded Turntrans-78.87.9174.894.50000113.6Y18 F19 N20 G24Y18-V22 PolarHBondContact O-N 2.97Å; F19-V22 VanDerWaalsContact O-CG1 3.22Å; F19-V22 WeakPolarHBondContact O-CG1 3.07Å; F19-V22 PolarHBondContact O-N 3.16Å; N20-V22 PolarHBondContact O-N 2.79Å; V22-G24 PolarHBondContact O-N 3.3Å
23S57.4Low75.7Confident96 Ų9691 Ų9167%0.67149%0.494SS*.SBendtrans-67.381.5155.859.60000107N20 V21 E25N20-S23 PolarHBondContact O-N 3.23Å; N20-S23 PolarHBondContact O-OG 2.91Å; V21-S23 PolarHBondContact O-N 3.27Å; S23-E25 PolarHBondContact O-N 3.19Å
24G61.3Low75.3Confident25 Ų2587.7 Ų87.726%0.25848%0.479SS..  trans-46.5132.1-167.700000111.1V22 C26V22-G24 PolarHBondContact O-N 3.3Å; G24-C26 PolarHBondContact O-N 3.11Å
25E73.8Confident74.6Confident177 Ų17787.3 Ų87.383%0.82747%0.47SS*.  trans-45.1137.7173.2-62178.1108.400109.6S23S23-E25 PolarHBondContact O-N 3.19Å
26C82.4Confident74.3Confident64 Ų6487 Ų8743%0.43247%0.469SS..PPolyproline II helixtrans-62.4147.1179.670.70000110.1G24 P40 C42G24-C26 PolarHBondContact O-N 3.11Å; C26-P40 CarbonylContact C-O 3.52Å; C26-P40 WeakPolarHBondContact CA-O 3.05Å; C26-C42 HydrophobicContact CB-CB 3.83Å; C26-C42 WeakPolarHBondContact CB-SG 3.44Å; C26-C42 PolarHBondContact O-SG 3.47Å; C26-C42 WeakPolarHBondContact SG-CA 3.29Å; C26-C42 WeakPolarHBondContact SG-CB 3.47Å; C26-C42 CovalentContact SG-SG 2.04Å; C26-C42 PolarHBondContact SG-SG 3.13Å
27R83.2Confident73.7Confident88 Ų8886.8 Ų86.833%0.33248%0.478SS..BIsolated β-bridgetrans-90.7131.5-174.4-57.9-54.7179.9108.7-2.1111Q31 P40 C41 C42 C57R27-Q31 HydrophobicContact CB-CB 4.02Å; R27-P40 PolarHBondContact N-O 3.41Å; R27-C41 WeakPolarHBondContact O-CA 3.33Å; R27-C42 PolarHBondContact O-N 2.73Å; R27-C57 VanDerWaalsContact CB-SG 3.55Å
28T85.7Confident73.5Confident72 Ų7291.7 Ų91.744%0.44249%0.491SS..PPolyproline II helixtrans-82.3172177.457.80000111.2G30 Q31 C57T28-G30 PolarHBondContact O-N 2.74Å; T28-Q31 VanDerWaalsContact N-OE1 3.14Å; T28-Q31 WeakPolarHBondContact O-CB 3.42Å; T28-Q31 PolarHBondContact O-N 3.35Å; T28-Q31 VanDerWaalsContact O-N 3.13Å; T28-C57 WeakPolarHBondContact O-CB 3.34Å
29V84.7Confident73.6Confident73 Ų7384.4 Ų84.444%0.44247%0.465SS..THydrogen-bonded Turntrans-54.9134.8-179.81780000111.4Q31 F45 C57V29-Q31 PolarHBondContact O-N 2.85Å; V29-F45 HydrophobicContact CG2-CD1 3.65Å; V29-F45 HydrophobicContact CG2-CD2 3.94Å; V29-F45 HydrophobicContact CG2-CE1 3.44Å; V29-F45 VanDerWaalsContact CG2-CE1 3.44Å; V29-F45 HydrophobicContact CG2-CE2 3.76Å; V29-F45 HydrophobicContact CG2-CG 3.9Å; V29-F45 HydrophobicContact CG2-CZ 3.51Å; V29-C57 CarbonylContact C-O 3.54Å; V29-C57 WeakPolarHBondContact CA-O 3.38Å
30G82.3Confident74.3Confident46 Ų4680.4 Ų80.447%0.47445%0.452SS..THydrogen-bonded Turntrans82.8-11.6-179.600000114.6T28 C57T28-G30 PolarHBondContact O-N 2.74Å; G30-C57 PolarHBondContact N-O 3.19Å
31Q85.6Confident75.5Confident84 Ų8477.5 Ų77.539%0.39344%0.439SS..SBendtrans-76.6150.8173.6-67-167.6-28.600111.6R27 T28 V29 C33 Q56 C57R27-Q31 HydrophobicContact CB-CB 4.02Å; T28-Q31 VanDerWaalsContact N-OE1 3.14Å; T28-Q31 WeakPolarHBondContact O-CB 3.42Å; T28-Q31 PolarHBondContact O-N 3.35Å; T28-Q31 VanDerWaalsContact O-N 3.13Å; V29-Q31 PolarHBondContact O-N 2.85Å; Q31-C33 PolarHBondContact O-N 3.28Å; Q31-Q56 WeakPolarHBondContact O-CA 3.06Å; Q31-C57 PolarHBondContact O-N 3.17Å
32E86.1Confident76.7Confident133 Ų13373.3 Ų73.362%0.62141%0.414SS*.EExtended strand (participates in β ladder)trans-65.7130.9176.2-65.8-170.4121.100111.1G55E32-G55 CarbonylContact C-O 3.6Å; E32-G55 WeakPolarHBondContact CA-O 3.34Å
33C85.4Confident77.6Confident2 Ų276.9 Ų76.91%0.01442%0.424CS..EExtended strand (participates in β ladder)trans-125.2135.4172.863.70000109.3Q31 C47 G55 C57Q31-C33 PolarHBondContact O-N 3.28Å; C33-C47 HydrophobicContact CB-CB 3.91Å; C33-C47 WeakPolarHBondContact CB-SG 3.42Å; C33-C47 PolarHBondContact O-SG 2.81Å; C33-C47 VanDerWaalsContact O-SG 3.41Å; C33-C47 WeakPolarHBondContact SG-CA 3.21Å; C33-C47 WeakPolarHBondContact SG-CB 3.28Å; C33-C47 CovalentContact SG-SG 2.03Å; C33-C47 PolarHBondContact SG-SG 3.43Å; C33-G55 PolarHBondContact N-O 3.3Å; C33-G55 CarbonylContact O-C 3.54Å; C33-G55 WeakPolarHBondContact O-CA 3.5Å; C33-G55 PolarHBondContact O-N 2.79Å; C33-C57 VanDerWaalsContact CB-SG 3.56Å
34S78.9Confident78.6Confident26 Ų2678.3 Ų78.318%0.18242%0.424CS..  trans-93.6138.6154.5-168.50000107.1T36 S39 F53S34-T36 VanDerWaalsContact CB-OG1 3.29Å; S34-T36 WeakPolarHBondContact CB-OG1 3.35Å; S34-T36 PolarHBondContact O-N 3.28Å; S34-T36 WeakPolarHBondContact OG-CG2 3.48Å; S34-T36 PolarHBondContact OG-OG1 3.02Å; S34-T36 VanDerWaalsContact OG-OG1 3.11Å; S34-S39 WeakPolarHBondContact CB-OG 3.36Å; S34-S39 PolarHBondContact N-OG 2.88Å; S34-S39 PolarHBondContact O-OG 3.17Å; S34-F53 VanDerWaalsContact CA-O 3.28Å; S34-F53 WeakPolarHBondContact CA-O 2.99Å; S34-F53 WeakPolarHBondContact CB-O 3.31Å; S34-F53 PolarHBondContact OG-O 3.38Å
35K69.4Low79.8Confident81 Ų8180.2 Ų80.235%0.35243%0.426SS..SBendtrans-66.121.7174.5-161.1169.4178.7124.80112.8L49K35-L49 HydrophobicContact CB-CD1 4.07Å; K35-L49 HydrophobicContact CB-CD2 4.22Å; K35-L49 HydrophobicContact CB-CG 4.39Å; K35-L49 HydrophobicContact CD-CD1 3.65Å; K35-L49 HydrophobicContact CD-CG 4.36Å
36T73.3Confident80.5Confident54 Ų5475.4 Ų75.433%0.33140%0.401SS..SBendtrans-106.8167.7178.863.40000109.9S34 F38S34-T36 VanDerWaalsContact CB-OG1 3.29Å; S34-T36 WeakPolarHBondContact CB-OG1 3.35Å; S34-T36 PolarHBondContact O-N 3.28Å; S34-T36 WeakPolarHBondContact OG-CG2 3.48Å; S34-T36 PolarHBondContact OG-OG1 3.02Å; S34-T36 VanDerWaalsContact OG-OG1 3.11Å; T36-F38 PolarHBondContact O-N 3.16Å
37V68.6Low80.7Confident135 Ų13573.4 Ų73.482%0.81839%0.387SS*.THydrogen-bonded Turntrans-69.2-12.4-175.9-172.60000113S39V37-S39 VanDerWaalsContact C-N 3.33Å; V37-S39 PolarHBondContact O-N 3.01Å
38F69.4Low80.9Confident171 Ų17169.2 Ų69.275%0.7537%0.371SS*.THydrogen-bonded Turntrans-74.1-23.6-177.9-62.8-68.1000113.8T36T36-F38 PolarHBondContact O-N 3.16Å
39S74.3Confident80.9Confident12 Ų1267.6 Ų67.68%0.08436%0.36CS..SBendtrans-147.964.2-175.155.40000110.7S34 V37S34-S39 WeakPolarHBondContact CB-OG 3.36Å; S34-S39 PolarHBondContact N-OG 2.88Å; S34-S39 PolarHBondContact O-OG 3.17Å; V37-S39 VanDerWaalsContact C-N 3.33Å; V37-S39 PolarHBondContact O-N 3.01Å
40P81.8Confident80.3Confident56 Ų5668.4 Ų68.436%0.36436%0.361SS..PPolyproline II helixtrans-67.3144176.930.1-33.7000109.7C26 R27C26-P40 CarbonylContact C-O 3.52Å; C26-P40 WeakPolarHBondContact CA-O 3.05Å; R27-P40 PolarHBondContact N-O 3.41Å
41C84.8Confident79.9Confident25 Ų2570.2 Ų70.217%0.16936%0.363CS..BIsolated β-bridgetrans-70.9148.9166.7-61.80000110R27 F45 C57R27-C41 WeakPolarHBondContact O-CA 3.33Å; C41-F45 HydrophobicContact CB-CB 3.91Å; C41-F45 WeakPolarHBondContact CB-O 3.01Å; C41-C57 WeakPolarHBondContact CA-SG 3.45Å; C41-C57 HydrophobicContact CB-CB 3.87Å; C41-C57 WeakPolarHBondContact CB-SG 3.44Å; C41-C57 WeakPolarHBondContact SG-CA 3.47Å; C41-C57 WeakPolarHBondContact SG-CB 3.04Å; C41-C57 CovalentContact SG-SG 2.03Å; C41-C57 PolarHBondContact SG-SG 2.81Å
42C84.5Confident79.5Confident21 Ų2173.8 Ų73.814%0.14238%0.384CS..PPolyproline II helixtrans-62161.3173.5-62.30000111.9C26 R27 N44 F45C26-C42 HydrophobicContact CB-CB 3.83Å; C26-C42 WeakPolarHBondContact CB-SG 3.44Å; C26-C42 PolarHBondContact O-SG 3.47Å; C26-C42 WeakPolarHBondContact SG-CA 3.29Å; C26-C42 WeakPolarHBondContact SG-CB 3.47Å; C26-C42 CovalentContact SG-SG 2.04Å; C26-C42 PolarHBondContact SG-SG 3.13Å; R27-C42 PolarHBondContact O-N 2.73Å; C42-N44 PolarHBondContact O-N 3.38Å; C42-F45 HydrophobicContact CB-CD2 3.98Å; C42-F45 HydrophobicContact CB-CE2 4.21Å; C42-F45 PolarHBondContact O-N 3.41Å
43E77.2Confident78.9Confident174 Ų17474.2 Ų74.281%0.81338%0.384SS*.THydrogen-bonded Turntrans-49.4130.9178.9-151.8174.6137.200110.6
44N78Confident78.8Confident126 Ų12675.9 Ų75.967%0.67440%0.396SS*.THydrogen-bonded Turntrans80.72.6-174.8-46.5-74.7000117.4C42C42-N44 PolarHBondContact O-N 3.38Å
45F86.6Confident79.2Confident65 Ų6574.7 Ų74.729%0.28539%0.388SS..  trans-112.9145.8175.5-54.1-36.6000112.3V29 C41 C42 C57 P59V29-F45 HydrophobicContact CG2-CD1 3.65Å; V29-F45 HydrophobicContact CG2-CD2 3.94Å; V29-F45 HydrophobicContact CG2-CE1 3.44Å; V29-F45 VanDerWaalsContact CG2-CE1 3.44Å; V29-F45 HydrophobicContact CG2-CE2 3.76Å; V29-F45 HydrophobicContact CG2-CG 3.9Å; V29-F45 HydrophobicContact CG2-CZ 3.51Å; C41-F45 HydrophobicContact CB-CB 3.91Å; C41-F45 WeakPolarHBondContact CB-O 3.01Å; C42-F45 HydrophobicContact CB-CD2 3.98Å; C42-F45 HydrophobicContact CB-CE2 4.21Å; C42-F45 PolarHBondContact O-N 3.41Å; F45-C57 HydrophobicContact CB-CB 4.36Å; F45-P59 HydrophobicContact CD1-CB 4.25Å; F45-P59 HydrophobicContact CE1-CB 4.4Å
46Y87.3Confident80.1Confident76 Ų7674.5 Ų74.530%0.29839%0.388SS..EExtended strand (participates in β ladder)trans-111135.9-178.1-56.4-68.5000110.4G48 Q58 P59 E72Y46-G48 PolarHBondContact O-N 3.25Å; Y46-G48 VanDerWaalsContact O-N 3.14Å; Y46-Q58 PolarHBondContact N-O 2.86Å; Y46-Q58 PolarHBondContact O-N 3.35Å; Y46-P59 WeakPolarHBondContact CD2-O 3.36Å; Y46-E72 HydrophobicContact CD1-CB 4.23Å; Y46-E72 HydrophobicContact CD1-CG 3.57Å; Y46-E72 HydrophobicContact CD2-CB 4.36Å; Y46-E72 HydrophobicContact CD2-CG 4.49Å; Y46-E72 HydrophobicContact CE1-CB 4.36Å; Y46-E72 HydrophobicContact CE1-CG 3.52Å; Y46-E72 HydrophobicContact CE2-CB 4.48Å; Y46-E72 HydrophobicContact CE2-CG 4.45Å; Y46-E72 HydrophobicContact CG-CB 4.2Å; Y46-E72 HydrophobicContact CG-CG 4.05Å
47C88.3Confident80.8Confident21 Ų2171.9 Ų71.914%0.14237%0.372CS..EExtended strand (participates in β ladder)trans-78.6100176.7-174.10000110.1C33 L49C33-C47 HydrophobicContact CB-CB 3.91Å; C33-C47 WeakPolarHBondContact CB-SG 3.42Å; C33-C47 PolarHBondContact O-SG 2.81Å; C33-C47 VanDerWaalsContact O-SG 3.41Å; C33-C47 WeakPolarHBondContact SG-CA 3.21Å; C33-C47 WeakPolarHBondContact SG-CB 3.28Å; C33-C47 CovalentContact SG-SG 2.03Å; C33-C47 PolarHBondContact SG-SG 3.43Å; C47-L49 PolarHBondContact O-N 2.04Å
48G87.3Confident81.7Confident0 Ų066.9 Ų66.90%034%0.34CS..EExtended strand (participates in β ladder)trans-78.996.1174.800000110.7Y46 N50 G55 Q56 Y65Y46-G48 PolarHBondContact O-N 3.25Å; Y46-G48 VanDerWaalsContact O-N 3.14Å; G48-N50 PolarHBondContact O-N 2.98Å; G48-G55 CarbonylContact O-C 3.58Å; G48-G55 WeakPolarHBondContact O-CA 3.48Å; G48-Q56 PolarHBondContact N-O 3.14Å; G48-Q56 PolarHBondContact O-N 3.22Å; G48-Y65 VanDerWaalsContact C-CD1 3.47Å; G48-Y65 VanDerWaalsContact CA-CD1 3.45Å; G48-Y65 WeakPolarHBondContact O-CE1 3.06Å
49L85.2Confident82.5Confident39 Ų3962.4 Ų62.420%0.20433%0.328CS..EExtended strand (participates in β ladder)trans-67.7118.8175.3-68.3175.5000110.4K35 C47 S54K35-L49 HydrophobicContact CB-CD1 4.07Å; K35-L49 HydrophobicContact CB-CD2 4.22Å; K35-L49 HydrophobicContact CB-CG 4.39Å; K35-L49 HydrophobicContact CD-CD1 3.65Å; K35-L49 HydrophobicContact CD-CG 4.36Å; C47-L49 PolarHBondContact O-N 2.04Å; L49-S54 WeakPolarHBondContact CA-O 3.07Å; L49-S54 WeakPolarHBondContact CD2-O 3.5Å
50N72.4Confident83Confident90 Ų9063.1 Ų63.148%0.48133%0.332SS..EExtended strand (participates in β ladder)trans-93.2-22.8169.960.221000111.4G48 S54G48-N50 PolarHBondContact O-N 2.98Å; N50-S54 PolarHBondContact N-O 2.9Å; N50-S54 VanDerWaalsContact N-O 3.17Å; N50-S54 PolarHBondContact OD1-O 2.88Å
51T74.6Confident83.2Confident84 Ų8460.5 Ų60.552%0.51532%0.315SS..EExtended strand (participates in β ladder)trans-143.1176.4-176.253.60000110.7F53 S54T51-F53 PolarHBondContact O-N 3.03Å; T51-S54 PolarHBondContact N-O 3.36Å; T51-S54 VanDerWaalsContact N-O 3.16Å; T51-S54 WeakPolarHBondContact OG1-CB 3.48Å; T51-S54 PolarHBondContact OG1-O 2.03Å
52L76.5Confident83.1Confident158 Ų15859.8 Ų59.883%0.82731%0.311SS*.THydrogen-bonded Turntrans-60.4109.2174.4-76.8155.2000109.5S54L52-S54 PolarHBondContact O-N 2.03Å
53F73.8Confident83Confident142 Ų14259.4 Ų59.462%0.62331%0.311SS*.THydrogen-bonded Turntrans66.16.8176.4-47.4-77.7000117.1S34 T51S34-F53 VanDerWaalsContact CA-O 3.28Å; S34-F53 WeakPolarHBondContact CA-O 2.99Å; S34-F53 WeakPolarHBondContact CB-O 3.31Å; S34-F53 PolarHBondContact OG-O 3.38Å; T51-F53 PolarHBondContact O-N 3.03Å
54S81.7Confident83.2Confident38 Ų3853.5 Ų53.527%0.26630%0.297SS..EExtended strand (participates in β ladder)trans-124.4142.4169-173.30000111.1L49 N50 T51 L52L49-S54 WeakPolarHBondContact CA-O 3.07Å; L49-S54 WeakPolarHBondContact CD2-O 3.5Å; N50-S54 PolarHBondContact N-O 2.9Å; N50-S54 VanDerWaalsContact N-O 3.17Å; N50-S54 PolarHBondContact OD1-O 2.88Å; T51-S54 PolarHBondContact N-O 3.36Å; T51-S54 VanDerWaalsContact N-O 3.16Å; T51-S54 WeakPolarHBondContact OG1-CB 3.48Å; T51-S54 PolarHBondContact OG1-O 2.03Å; L52-S54 PolarHBondContact O-N 2.03Å
55G87.8Confident83.6Confident0 Ų050.1 Ų50.10%028%0.275CS..EExtended strand (participates in β ladder)trans-165.4-176.6-174.400000110.4E32 C33 G48E32-G55 CarbonylContact C-O 3.6Å; E32-G55 WeakPolarHBondContact CA-O 3.34Å; C33-G55 PolarHBondContact N-O 3.3Å; C33-G55 CarbonylContact O-C 3.54Å; C33-G55 WeakPolarHBondContact O-CA 3.5Å; C33-G55 PolarHBondContact O-N 2.79Å; G48-G55 CarbonylContact O-C 3.58Å; G48-G55 WeakPolarHBondContact O-CA 3.48Å
56Q88.2Confident83.6Confident77 Ų7750 Ų5036%0.3627%0.274SS..EExtended strand (participates in β ladder)trans-126.6144.6175.6-67.6174.612.900110Q31 G48 Q58Q31-Q56 WeakPolarHBondContact O-CA 3.06Å; G48-Q56 PolarHBondContact N-O 3.14Å; G48-Q56 PolarHBondContact O-N 3.22Å; Q56-Q58 PolarHBondContact O-N 2.84Å
57C88.9Confident83.6Confident0 Ų046.3 Ų46.30%026%0.26CS..EExtended strand (participates in β ladder)trans-69.2124.7172.4-63.90000109.4R27 T28 V29 G30 Q31 C33 C41 F45R27-C57 VanDerWaalsContact CB-SG 3.55Å; T28-C57 WeakPolarHBondContact O-CB 3.34Å; V29-C57 CarbonylContact C-O 3.54Å; V29-C57 WeakPolarHBondContact CA-O 3.38Å; G30-C57 PolarHBondContact N-O 3.19Å; Q31-C57 PolarHBondContact O-N 3.17Å; C33-C57 VanDerWaalsContact CB-SG 3.56Å; C41-C57 WeakPolarHBondContact CA-SG 3.45Å; C41-C57 HydrophobicContact CB-CB 3.87Å; C41-C57 WeakPolarHBondContact CB-SG 3.44Å; C41-C57 WeakPolarHBondContact SG-CA 3.47Å; C41-C57 WeakPolarHBondContact SG-CB 3.04Å; C41-C57 CovalentContact SG-SG 2.03Å; C41-C57 PolarHBondContact SG-SG 2.81Å; F45-C57 HydrophobicContact CB-CB 4.36Å
58Q86.8Confident83.5Confident30 Ų3053.1 Ų53.114%0.1428%0.283CS..EExtended strand (participates in β ladder)trans-127.4146.2178.1-66.2-179.1-10.200109.3Y46 Q56 C60 Y65Y46-Q58 PolarHBondContact N-O 2.86Å; Y46-Q58 PolarHBondContact O-N 3.35Å; Q56-Q58 PolarHBondContact O-N 2.84Å; Q58-C60 PolarHBondContact O-N 3.02Å; Q58-Y65 PolarHBondContact NE2-OH 3.11Å
59P85.4Confident83.5Confident76 Ų7656.5 Ų56.549%0.49430%0.303SS..SBendtrans-63.8-30.617526.9-34.4000112.5F45 Y46F45-P59 HydrophobicContact CD1-CB 4.25Å; F45-P59 HydrophobicContact CE1-CB 4.4Å; Y46-P59 WeakPolarHBondContact CD2-O 3.36Å
60C85.6Confident83.6Confident27 Ų2758.7 Ų58.718%0.18232%0.315CS..SBendtrans-150140.4172.362.90000108.3Q58 A62 C74 K88Q58-C60 PolarHBondContact O-N 3.02Å; C60-A62 PolarHBondContact O-N 3.33Å; C60-C74 HydrophobicContact CB-CB 3.64Å; C60-C74 WeakPolarHBondContact CB-SG 3.33Å; C60-C74 WeakPolarHBondContact SG-CB 3.31Å; C60-C74 CovalentContact SG-SG 2.01Å; C60-C74 PolarHBondContact SG-SG 3.21Å; C60-K88 PolarHBondContact O-NZ 3.34Å; C60-K88 PolarHBondContact SG-NZ 3.34Å
61L86.2Confident84.2Confident1 Ų162.5 Ų62.51%0.00533%0.327CS..BIsolated β-bridgetrans-68.1129.8178-62176.5000109.4F66 C67 E72 C74 C83 K88L61-F66 VanDerWaalsContact CD1-O 3.28Å; L61-F66 WeakPolarHBondContact CD1-O 3.41Å; L61-C67 HydrophobicContact CD1-CB 4.11Å; L61-E72 WeakPolarHBondContact CB-O 3.17Å; L61-E72 HydrophobicContact CD1-CB 3.74Å; L61-E72 HydrophobicContact CG-CB 4.35Å; L61-E72 PolarHBondContact N-O 3.34Å; L61-C74 PolarHBondContact O-N 2.89Å; L61-C83 WeakPolarHBondContact CB-SG 3.37Å; L61-K88 VanDerWaalsContact C-NZ 3.33Å; L61-K88 PolarHBondContact O-NZ 2.8Å
62A82.2Confident84.6Confident10 Ų1059.3 Ų59.38%0.08331%0.307CS..PPolyproline II helixtrans-69.1166.6165.500000110.1C60 Y65 C83 K88C60-A62 PolarHBondContact O-N 3.33Å; A62-Y65 HydrophobicContact CB-CD2 3.78Å; A62-Y65 HydrophobicContact CB-CE2 3.8Å; A62-Y65 WeakPolarHBondContact O-CB 3.28Å; A62-Y65 VanDerWaalsContact O-CD2 3.31Å; A62-Y65 WeakPolarHBondContact O-CD2 3.32Å; A62-Y65 PolarHBondContact O-N 3.47Å; A62-C83 WeakPolarHBondContact O-CB 3.26Å; A62-K88 VanDerWaalsContact CA-NZ 3.27Å; A62-K88 HydrophobicContact CB-CD 3.69Å; A62-K88 VanDerWaalsContact N-NZ 3.14Å
63G82.2Confident85.1Confident14 Ų1452.1 Ų52.114%0.14427%0.269CS..THydrogen-bonded Turntrans-65.4156.2174.700000112Y65 C83 D85G63-Y65 PolarHBondContact O-N 3.11Å; G63-C83 CarbonylContact C-O 3.53Å; G63-C83 WeakPolarHBondContact CA-O 3.08Å; G63-D85 WeakPolarHBondContact CA-OD2 3.39Å; G63-D85 PolarHBondContact N-OD2 3.42Å
64G82.3Confident85.6Confident49 Ų4948.6 Ų48.651%0.50526%0.262SS..THydrogen-bonded Turntrans81.4-24.3-168.900000114.7C83G64-C83 PolarHBondContact N-O 2.79Å
65Y85.5Confident85.7Confident56 Ų5649 Ų4922%0.2226%0.264CS..SBendtrans-71.1151175.1-74.8-89.4000112.6G48 Q58 A62 G63 C67 K82 C83G48-Y65 VanDerWaalsContact C-CD1 3.47Å; G48-Y65 VanDerWaalsContact CA-CD1 3.45Å; G48-Y65 WeakPolarHBondContact O-CE1 3.06Å; Q58-Y65 PolarHBondContact NE2-OH 3.11Å; A62-Y65 HydrophobicContact CB-CD2 3.78Å; A62-Y65 HydrophobicContact CB-CE2 3.8Å; A62-Y65 WeakPolarHBondContact O-CB 3.28Å; A62-Y65 VanDerWaalsContact O-CD2 3.31Å; A62-Y65 WeakPolarHBondContact O-CD2 3.32Å; A62-Y65 PolarHBondContact O-N 3.47Å; G63-Y65 PolarHBondContact O-N 3.11Å; Y65-C67 PolarHBondContact O-N 2.68Å; Y65-K82 CarbonylContact O-C 3.53Å; Y65-K82 VanDerWaalsContact O-CA 3.26Å; Y65-K82 WeakPolarHBondContact O-CA 3.28Å; Y65-C83 PolarHBondContact O-N 2.9Å
66F86.8Confident85.6Confident61 Ų6151.2 Ų51.227%0.26829%0.287SS..BIsolated β-bridgetrans-72.9123.5-179-170.5-82.1000112L61 W68 L81L61-F66 VanDerWaalsContact CD1-O 3.28Å; L61-F66 WeakPolarHBondContact CD1-O 3.41Å; F66-W68 AromaticContact CE1-CD2 3.78Å; F66-W68 HydrophobicContact CE1-CD2 3.78Å; F66-W68 AromaticContact CE1-CE2 3.52Å; F66-W68 HydrophobicContact CE1-CE3 4.11Å; F66-W68 HydrophobicContact CE1-CG 4.4Å; F66-W68 AromaticContact CE1-CH2 3.93Å; F66-W68 HydrophobicContact CE1-CH2 3.93Å; F66-W68 AromaticContact CE1-CZ2 3.61Å; F66-W68 HydrophobicContact CE1-CZ2 3.61Å; F66-W68 HydrophobicContact CE1-CZ3 4.18Å; F66-W68 HydrophobicContact CZ-CD2 4.49Å; F66-W68 HydrophobicContact CZ-CE3 4.38Å; F66-W68 AromaticContact CZ-CH2 3.9Å; F66-W68 HydrophobicContact CZ-CH2 3.9Å; F66-W68 HydrophobicContact CZ-CZ2 4.02Å; F66-W68 HydrophobicContact CZ-CZ3 4.1Å; F66-L81 VanDerWaalsContact CA-O 3.28Å; F66-L81 WeakPolarHBondContact CA-O 3.36Å; F66-L81 HydrophobicContact CD2-CB 4.11Å; F66-L81 WeakPolarHBondContact CD2-O 3.42Å; F66-L81 HydrophobicContact CE2-CB 3.61Å; F66-L81 HydrophobicContact CE2-CD1 3.97Å; F66-L81 HydrophobicContact CE2-CG 4.25Å; F66-L81 HydrophobicContact CZ-CB 4.03Å; F66-L81 HydrophobicContact CZ-CD1 4.19Å; F66-L81 HydrophobicContact CZ-CD2 4.16Å; F66-L81 HydrophobicContact CZ-CG 4.36Å
67C87.3Confident85.6Confident0 Ų053.5 Ų53.50%030%0.296CS..  trans-124.2151.9179.953.30000111.9L61 Y65 C73 C78 L81 K82 C83L61-C67 HydrophobicContact CD1-CB 4.11Å; Y65-C67 PolarHBondContact O-N 2.68Å; C67-C73 VanDerWaalsContact CB-SG 3.52Å; C67-C78 HydrophobicContact CB-CB 3.84Å; C67-C78 WeakPolarHBondContact CB-SG 3.11Å; C67-C78 PolarHBondContact O-SG 3.3Å; C67-C78 WeakPolarHBondContact SG-CA 3.49Å; C67-C78 WeakPolarHBondContact SG-CB 2.93Å; C67-C78 CovalentContact SG-SG 2.02Å; C67-C78 PolarHBondContact SG-SG 3.3Å; C67-L81 PolarHBondContact N-O 2.97Å; C67-L81 VanDerWaalsContact N-O 3.11Å; C67-K82 PolarHBondContact SG-O 3.24Å; C67-C83 VanDerWaalsContact CB-SG 3.55Å; C67-C83 PolarHBondContact SG-N 3.28Å
68W86.9Confident85.6Confident164 Ų16455.2 Ų55.262%0.62131%0.308SS*.SBendtrans-103.5-32.1170.6-65.7115.7000112.3F66 E72 L81F66-W68 AromaticContact CE1-CD2 3.78Å; F66-W68 HydrophobicContact CE1-CD2 3.78Å; F66-W68 AromaticContact CE1-CE2 3.52Å; F66-W68 HydrophobicContact CE1-CE3 4.11Å; F66-W68 HydrophobicContact CE1-CG 4.4Å; F66-W68 AromaticContact CE1-CH2 3.93Å; F66-W68 HydrophobicContact CE1-CH2 3.93Å; F66-W68 AromaticContact CE1-CZ2 3.61Å; F66-W68 HydrophobicContact CE1-CZ2 3.61Å; F66-W68 HydrophobicContact CE1-CZ3 4.18Å; F66-W68 HydrophobicContact CZ-CD2 4.49Å; F66-W68 HydrophobicContact CZ-CE3 4.38Å; F66-W68 AromaticContact CZ-CH2 3.9Å; F66-W68 HydrophobicContact CZ-CH2 3.9Å; F66-W68 HydrophobicContact CZ-CZ2 4.02Å; F66-W68 HydrophobicContact CZ-CZ3 4.1Å; W68-E72 WeakPolarHBondContact CA-OE2 3.43Å; W68-E72 WeakPolarHBondContact CB-OE2 3.5Å; W68-E72 PolarHBondContact N-OE2 3.29Å; W68-L81 HydrophobicContact CE3-CD2 4.47Å; W68-L81 HydrophobicContact CZ3-CD2 4.47Å
69T86.8Confident85.8Confident70 Ų7056.9 Ų56.943%0.42932%0.323SS..SBendtrans-133.3151.1-175.560.40000109.8K71 E72T69-K71 VanDerWaalsContact C-N 3.26Å; T69-K71 PolarHBondContact O-N 3.27Å; T69-E72 PolarHBondContact N-OE2 3.15Å; T69-E72 PolarHBondContact O-N 3.44Å; T69-E72 WeakPolarHBondContact OG1-CG 3.2Å; T69-E72 PolarHBondContact OG1-OE2 3.01Å
70D87.1Confident86Confident86 Ų8664.7 Ų64.746%0.4634%0.342SS..G310 helixtrans-61-32.1179.448.2-82.8000113.7E72 C73 G76D70-E72 VanDerWaalsContact C-N 3.26Å; D70-E72 PolarHBondContact O-N 3.32Å; D70-C73 WeakPolarHBondContact O-CB 3.01Å; D70-C73 PolarHBondContact O-N 2.01Å; D70-G76 CarbonylContact O-C 3.41Å; D70-G76 WeakPolarHBondContact O-CA 2.99Å
71K85Confident86Confident169 Ų16967.9 Ų67.974%0.73536%0.357SS*.G310 helixtrans-68.4-20180-60.3-179.1-176.5173.70114.3T69 C73T69-K71 VanDerWaalsContact C-N 3.26Å; T69-K71 PolarHBondContact O-N 3.27Å; K71-C73 VanDerWaalsContact C-N 3.28Å
72E84.2Confident86.1Confident18 Ų1873.5 Ų73.58%0.08438%0.382CS..G310 helixtrans-72.3-28.6175.4-68.1170.187.300111.3Y46 L61 W68 T69 D70Y46-E72 HydrophobicContact CD1-CB 4.23Å; Y46-E72 HydrophobicContact CD1-CG 3.57Å; Y46-E72 HydrophobicContact CD2-CB 4.36Å; Y46-E72 HydrophobicContact CD2-CG 4.49Å; Y46-E72 HydrophobicContact CE1-CB 4.36Å; Y46-E72 HydrophobicContact CE1-CG 3.52Å; Y46-E72 HydrophobicContact CE2-CB 4.48Å; Y46-E72 HydrophobicContact CE2-CG 4.45Å; Y46-E72 HydrophobicContact CG-CB 4.2Å; Y46-E72 HydrophobicContact CG-CG 4.05Å; L61-E72 WeakPolarHBondContact CB-O 3.17Å; L61-E72 HydrophobicContact CD1-CB 3.74Å; L61-E72 HydrophobicContact CG-CB 4.35Å; L61-E72 PolarHBondContact N-O 3.34Å; W68-E72 WeakPolarHBondContact CA-OE2 3.43Å; W68-E72 WeakPolarHBondContact CB-OE2 3.5Å; W68-E72 PolarHBondContact N-OE2 3.29Å; T69-E72 PolarHBondContact N-OE2 3.15Å; T69-E72 PolarHBondContact O-N 3.44Å; T69-E72 WeakPolarHBondContact OG1-CG 3.2Å; T69-E72 PolarHBondContact OG1-OE2 3.01Å; D70-E72 VanDerWaalsContact C-N 3.26Å; D70-E72 PolarHBondContact O-N 3.32Å
73C86.4Confident86.3Confident6 Ų673.2 Ų73.24%0.04138%0.379CS..BIsolated β-bridgetrans-83.6134.3-177.1-57.80000110.8C67 D70 K71 S75 G76 C83C67-C73 VanDerWaalsContact CB-SG 3.52Å; D70-C73 WeakPolarHBondContact O-CB 3.01Å; D70-C73 PolarHBondContact O-N 2.01Å; K71-C73 VanDerWaalsContact C-N 3.28Å; C73-S75 PolarHBondContact O-N 2.64Å; C73-S75 VanDerWaalsContact O-N 3.16Å; C73-G76 PolarHBondContact O-N 3.42Å; C73-C83 WeakPolarHBondContact CA-SG 2.96Å; C73-C83 HydrophobicContact CB-CB 3.62Å; C73-C83 WeakPolarHBondContact CB-SG 3.41Å; C73-C83 WeakPolarHBondContact SG-CA 3.38Å; C73-C83 WeakPolarHBondContact SG-CB 3.47Å; C73-C83 CovalentContact SG-SG 2.02Å; C73-C83 PolarHBondContact SG-SG 2.02Å
74C84.8Confident86.4Confident69 Ų6975.1 Ų75.147%0.46639%0.388SS..THydrogen-bonded Turntrans-62.9-24.8174.7-123.20000113.2C60 L61 G76 K88C60-C74 HydrophobicContact CB-CB 3.64Å; C60-C74 WeakPolarHBondContact CB-SG 3.33Å; C60-C74 WeakPolarHBondContact SG-CB 3.31Å; C60-C74 CovalentContact SG-SG 2.01Å; C60-C74 PolarHBondContact SG-SG 3.21Å; L61-C74 PolarHBondContact O-N 2.89Å; C74-G76 VanDerWaalsContact C-N 3.27Å; C74-K88 HydrophobicContact CB-CD 3.6Å; C74-K88 VanDerWaalsContact CB-NZ 3.28Å; C74-K88 WeakPolarHBondContact SG-CE 3.34Å
75S83.3Confident85.9Confident45 Ų4575.6 Ų75.632%0.31538%0.379SS..THydrogen-bonded Turntrans-83.5-2.1174.6-49.60000113.4C73 K77 T84 P86C73-S75 PolarHBondContact O-N 2.64Å; C73-S75 VanDerWaalsContact O-N 3.16Å; S75-K77 PolarHBondContact O-N 2.82Å; S75-T84 WeakPolarHBondContact CB-O 3.34Å; S75-T84 PolarHBondContact OG-O 3.39Å; S75-P86 VanDerWaalsContact OG-CD 3.22Å; S75-P86 WeakPolarHBondContact OG-CD 3.33Å
76G85.7Confident84.6Confident47 Ų4777.4 Ų77.449%0.48540%0.397SS..SBendtrans66.219.7-17900000113.9D70 C73 C74D70-G76 CarbonylContact O-C 3.41Å; D70-G76 WeakPolarHBondContact O-CA 2.99Å; C73-G76 PolarHBondContact O-N 3.42Å; C74-G76 VanDerWaalsContact C-N 3.27Å
77K88.2Confident83.4Confident126 Ų12679.8 Ų79.855%0.54841%0.412SS..  trans-143.4110.5-178-166.8171.7-176175.70111.8S75 T84S75-K77 PolarHBondContact O-N 2.82Å; K77-T84 PolarHBondContact O-N 3.19Å; K77-T84 PolarHBondContact O-OG1 2.95Å
78C89.2Confident81.9Confident35 Ų3581.9 Ų81.924%0.23642%0.421CS..EExtended strand (participates in β ladder)trans-92.7117.3167.9-173.20000108.8C67C67-C78 HydrophobicContact CB-CB 3.84Å; C67-C78 WeakPolarHBondContact CB-SG 3.11Å; C67-C78 PolarHBondContact O-SG 3.3Å; C67-C78 WeakPolarHBondContact SG-CA 3.49Å; C67-C78 WeakPolarHBondContact SG-CB 2.93Å; C67-C78 CovalentContact SG-SG 2.02Å; C67-C78 PolarHBondContact SG-SG 3.3Å
79S90Very high80.4Confident65 Ų6579 Ų7946%0.45542%0.417SS..EExtended strand (participates in β ladder)trans-131.4130.6179.2-166.10000109.8L81 K82S79-L81 VanDerWaalsContact C-N 3.27Å; S79-L81 PolarHBondContact O-N 2.91Å; S79-K82 CarbonylContact C-O 3.54Å; S79-K82 PolarHBondContact N-O 3.31Å; S79-K82 CarbonylContact O-C 3.53Å; S79-K82 PolarHBondContact O-N 2.94Å
80W89.8Confident79.2Confident240 Ų24079.7 Ų79.791%0.90942%0.422SS*.THydrogen-bonded Turntrans54.741.7-178.1-156.4-108.4000113.6K82W80-K82 PolarHBondContact O-N 3.43Å; W80-K82 VanDerWaalsContact O-N 3.11Å
81L86.9Confident77.8Confident94 Ų9479.3 Ų79.349%0.49242%0.422SS..THydrogen-bonded Turntrans59.416.8-175.7-55.6169.6000114.2F66 C67 W68 S79F66-L81 VanDerWaalsContact CA-O 3.28Å; F66-L81 WeakPolarHBondContact CA-O 3.36Å; F66-L81 HydrophobicContact CD2-CB 4.11Å; F66-L81 WeakPolarHBondContact CD2-O 3.42Å; F66-L81 HydrophobicContact CE2-CB 3.61Å; F66-L81 HydrophobicContact CE2-CD1 3.97Å; F66-L81 HydrophobicContact CE2-CG 4.25Å; F66-L81 HydrophobicContact CZ-CB 4.03Å; F66-L81 HydrophobicContact CZ-CD1 4.19Å; F66-L81 HydrophobicContact CZ-CD2 4.16Å; F66-L81 HydrophobicContact CZ-CG 4.36Å; C67-L81 PolarHBondContact N-O 2.97Å; C67-L81 VanDerWaalsContact N-O 3.11Å; W68-L81 HydrophobicContact CE3-CD2 4.47Å; W68-L81 HydrophobicContact CZ3-CD2 4.47Å; S79-L81 VanDerWaalsContact C-N 3.27Å; S79-L81 PolarHBondContact O-N 2.91Å
82K87.3Confident76.5Confident120 Ų12077.4 Ų77.452%0.52242%0.416SS..EExtended strand (participates in β ladder)trans-128.8143.5177.3-66.5-175178.8-172.50110.7Y65 C67 S79 W80 T84Y65-K82 CarbonylContact O-C 3.53Å; Y65-K82 VanDerWaalsContact O-CA 3.26Å; Y65-K82 WeakPolarHBondContact O-CA 3.28Å; C67-K82 PolarHBondContact SG-O 3.24Å; S79-K82 CarbonylContact C-O 3.54Å; S79-K82 PolarHBondContact N-O 3.31Å; S79-K82 CarbonylContact O-C 3.53Å; S79-K82 PolarHBondContact O-N 2.94Å; W80-K82 PolarHBondContact O-N 3.43Å; W80-K82 VanDerWaalsContact O-N 3.11Å; K82-T84 PolarHBondContact O-N 2.02Å
83C86.7Confident74.8Confident4 Ų486.1 Ų86.13%0.02745%0.448CS..EExtended strand (participates in β ladder)trans-65.6136171.6-69.20000109.4L61 A62 G63 G64 Y65 C67 C73L61-C83 WeakPolarHBondContact CB-SG 3.37Å; A62-C83 WeakPolarHBondContact O-CB 3.26Å; G63-C83 CarbonylContact C-O 3.53Å; G63-C83 WeakPolarHBondContact CA-O 3.08Å; G64-C83 PolarHBondContact N-O 2.79Å; Y65-C83 PolarHBondContact O-N 2.9Å; C67-C83 VanDerWaalsContact CB-SG 3.55Å; C67-C83 PolarHBondContact SG-N 3.28Å; C73-C83 WeakPolarHBondContact CA-SG 2.96Å; C73-C83 HydrophobicContact CB-CB 3.62Å; C73-C83 WeakPolarHBondContact CB-SG 3.41Å; C73-C83 WeakPolarHBondContact SG-CA 3.38Å; C73-C83 WeakPolarHBondContact SG-CB 3.47Å; C73-C83 CovalentContact SG-SG 2.02Å; C73-C83 PolarHBondContact SG-SG 2.02Å
84T83.9Confident73.4Confident54 Ų5492.3 Ų92.333%0.33148%0.48SS..  trans-75.5128.4174.8-52.80000108.1S75 K77 K82 P86S75-T84 WeakPolarHBondContact CB-O 3.34Å; S75-T84 PolarHBondContact OG-O 3.39Å; K77-T84 PolarHBondContact O-N 3.19Å; K77-T84 PolarHBondContact O-OG1 2.95Å; K82-T84 PolarHBondContact O-N 2.02Å; T84-P86 WeakPolarHBondContact O-CD 3.32Å
85D71.8Confident72.1Confident58 Ų5894.6 Ų94.631%0.3149%0.492SS..  trans-105.3106.3177.5-140.8-60.6000111.1G63 K88G63-D85 WeakPolarHBondContact CA-OD2 3.39Å; G63-D85 PolarHBondContact N-OD2 3.42Å; D85-K88 VanDerWaalsContact OD1-CB 3.32Å; D85-K88 WeakPolarHBondContact OD1-CB 3.05Å; D85-K88 PolarHBondContact OD1-N 3.32Å
86P58Low70.6Confident94 Ų9498.8 Ų98.861%0.6154%0.542SS*.SBendtrans-96.3-29.317127.1-22.8000114S75 T84S75-P86 VanDerWaalsContact OG-CD 3.22Å; S75-P86 WeakPolarHBondContact OG-CD 3.33Å; T84-P86 WeakPolarHBondContact O-CD 3.32Å
87I61.4Low69.9Low112 Ų112101.4 Ų101.457%0.57455%0.545SS*.SBendtrans-149.4-4.7-167-60.8178.6000112.9D89 V90 V91I87-D89 PolarHBondContact O-N 3.32Å; I87-V90 HydrophobicContact CG2-CB 4.37Å; I87-V90 WeakPolarHBondContact O-CB 3.22Å; I87-V90 PolarHBondContact O-N 3.1Å; I87-V91 HydrophobicContact CG2-CG2 4.43Å
88K56.6Low68.9Low43 Ų43100.1 Ų100.119%0.18755%0.545CS..Hα-helixtrans-75.5-29-156.9-150.4-173.6171.6-1620114.3C60 L61 A62 C74 D85 V90C60-K88 PolarHBondContact O-NZ 3.34Å; C60-K88 PolarHBondContact SG-NZ 3.34Å; L61-K88 VanDerWaalsContact C-NZ 3.33Å; L61-K88 PolarHBondContact O-NZ 2.8Å; A62-K88 VanDerWaalsContact CA-NZ 3.27Å; A62-K88 HydrophobicContact CB-CD 3.69Å; A62-K88 VanDerWaalsContact N-NZ 3.14Å; C74-K88 HydrophobicContact CB-CD 3.6Å; C74-K88 VanDerWaalsContact CB-NZ 3.28Å; C74-K88 WeakPolarHBondContact SG-CE 3.34Å; D85-K88 VanDerWaalsContact OD1-CB 3.32Å; D85-K88 WeakPolarHBondContact OD1-CB 3.05Å; D85-K88 PolarHBondContact OD1-N 3.32Å; K88-V90 PolarHBondContact O-N 2.92Å
89D54.5Low67.8Low103 Ų103103.7 Ų103.755%0.55156%0.562SS**Hα-helixtrans-66.1-24.3169.3-101.1-86.7000113.8I87 V91 R93I87-D89 PolarHBondContact O-N 3.32Å; D89-V91 VanDerWaalsContact C-N 3.34Å; D89-R93 WeakPolarHBondContact O-CG 3.1Å; D89-R93 PolarHBondContact O-N 2.99Å
90V61.4Low66.5Low86 Ų86105.9 Ų105.952%0.52157%0.568SS.*Hα-helixtrans-74.3-30-173.8-174.50000111.2I87 K88 L94I87-V90 HydrophobicContact CG2-CB 4.37Å; I87-V90 WeakPolarHBondContact O-CB 3.22Å; I87-V90 PolarHBondContact O-N 3.1Å; K88-V90 PolarHBondContact O-N 2.92Å; V90-L94 WeakPolarHBondContact O-CG 3.41Å
91V59.3Low65Low77 Ų7797.6 Ų97.647%0.46755%0.547SS..Hα-helixtrans-93.9-31.5-177.3-179.20000112.3I87 D89 R93 L94 T95I87-V91 HydrophobicContact CG2-CG2 4.43Å; D89-V91 VanDerWaalsContact C-N 3.34Å; V91-R93 PolarHBondContact O-N 2.91Å; V91-L94 PolarHBondContact O-N 2.86Å; V91-T95 PolarHBondContact O-N 3.16Å; V91-T95 PolarHBondContact O-OG1 2.88Å; V91-T95 VanDerWaalsContact O-OG1 3.1Å
92E56.4Low63.6Low130 Ų13097.8 Ų97.861%0.60755%0.55SS**Hα-helixtrans-57.8-35.1169.2-110.3169.2104.400110.8L94 G96E92-L94 VanDerWaalsContact C-N 3.26Å; E92-L94 PolarHBondContact O-N 3.34Å; E92-G96 PolarHBondContact O-N 3.27Å
93R48.9Very low61.9Low201 Ų20196.2 Ų96.276%0.75855%0.553SS**Hα-helixtrans-66.7-12.8170.9-85.9177.5147.9141.8-3.1116.5D89 V91D89-R93 WeakPolarHBondContact O-CG 3.1Å; D89-R93 PolarHBondContact O-N 2.99Å; V91-R93 PolarHBondContact O-N 2.91Å
94L58Low59.9Low136 Ų136103.3 Ų103.371%0.71259%0.593SS**Hα-helixtrans-109.8-7.8-177.2-67.5174.2000113.3V90 V91 E92V90-L94 WeakPolarHBondContact O-CG 3.41Å; V91-L94 PolarHBondContact O-N 2.86Å; E92-L94 VanDerWaalsContact C-N 3.26Å; E92-L94 PolarHBondContact O-N 3.34Å
95T56.1Low57.9Low117 Ų117107.4 Ų107.472%0.71862%0.615SS**Hα-helixtrans-137.8-1.4-173.2-10.70000115.3V91V91-T95 PolarHBondContact O-N 3.16Å; V91-T95 PolarHBondContact O-OG1 2.88Å; V91-T95 VanDerWaalsContact O-OG1 3.1Å
96G53.1Low56.7Low132 Ų132111.9 Ų111.9100%1.36164%0.642SS**  trans-74.40160.500000110.8E92E92-G96 PolarHBondContact O-N 3.27Å

Retrieved 96 of 96 residues in 22.7 ms (Link to these results)