A0A3Q0KNE4_SCHMA Loading...

Hypothetical Schistosoma spp. protein UPF0506

AlphaFold DB , UniProt , Accession A0A3Q0KNE4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 117 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
1M60Low83.8Confident204 Ų204126.3 Ų126.3100%1.00560%0.601SS**  0-39.50-140.8106.283.300113.2G3 Y4M1-G3 PolarHBondContact O-N 2.54Å; M1-Y4 PolarHBondContact O-N 3.25Å
2N77.4Confident84.1Confident130 Ų130123.2 Ų123.270%0.69559%0.59SS**Hα-helixtrans-67-30.9-169.6-62.6-3.6000116Y4 I5 Q6N2-Y4 PolarHBondContact O-N 3.08Å; N2-I5 PolarHBondContact O-N 3.36Å; N2-Q6 PolarHBondContact O-N 3.44Å
3G77.6Confident84.4Confident38 Ų38120 Ų12039%0.39258%0.583SS.*Hα-helixtrans-63.7-40179.600000113.1M1 I5 Q6 Y7M1-G3 PolarHBondContact O-N 2.54Å; G3-I5 PolarHBondContact O-N 2.85Å; G3-Q6 PolarHBondContact O-N 3.3Å; G3-Y7 WeakPolarHBondContact O-CD2 3.46Å; G3-Y7 PolarHBondContact O-N 2.81Å
4Y86.7Confident84.5Confident173 Ų173116.4 Ų116.468%0.67858%0.575SS**Hα-helixtrans-66.4-37.1179.5-174.8-110.2000112.6M1 N2 Q6 Y7 I8M1-Y4 PolarHBondContact O-N 3.25Å; N2-Y4 PolarHBondContact O-N 3.08Å; Y4-Q6 VanDerWaalsContact C-N 3.34Å; Y4-Q6 PolarHBondContact O-N 3.47Å; Y4-Y7 PolarHBondContact O-N 3.08Å; Y4-I8 HydrophobicContact CD1-CD1 3.69Å; Y4-I8 HydrophobicContact CE1-CD1 3.31Å; Y4-I8 HydrophobicContact CE1-CG1 4.19Å; Y4-I8 PolarHBondContact O-N 3.48Å; Y4-I8 VanDerWaalsContact O-N 3.13Å
5I86.5Confident84.4Confident84 Ų84113.5 Ų113.543%0.43156%0.561SS.*Hα-helixtrans-64.5-40.2177.5-57.9173.3000110.5N2 G3 Y7 I8 I9N2-I5 PolarHBondContact O-N 3.36Å; G3-I5 PolarHBondContact O-N 2.85Å; I5-Y7 PolarHBondContact O-N 3.39Å; I5-I8 PolarHBondContact O-N 3.48Å; I5-I9 HydrophobicContact CG2-CD1 3.93Å; I5-I9 WeakPolarHBondContact O-CG1 3.21Å; I5-I9 PolarHBondContact O-N 2.77Å
6Q85.3Confident84Confident146 Ų146111.5 Ų111.568%0.68256%0.558SS**Hα-helixtrans-61.9-40.8175.8-73.7-170.8-39.100112.5N2 G3 Y4 I9 L10N2-Q6 PolarHBondContact O-N 3.44Å; G3-Q6 PolarHBondContact O-N 3.3Å; Y4-Q6 VanDerWaalsContact C-N 3.34Å; Y4-Q6 PolarHBondContact O-N 3.47Å; Q6-I9 PolarHBondContact O-N 3.29Å; Q6-L10 WeakPolarHBondContact O-CB 3.14Å; Q6-L10 PolarHBondContact O-N 3.25Å
7Y88.9Confident83.4Confident168 Ų168112.4 Ų112.466%0.65956%0.564SS**Hα-helixtrans-64.5-40.2176.4-72.6-69.7000112.7G3 Y4 I5 L10 W11G3-Y7 WeakPolarHBondContact O-CD2 3.46Å; G3-Y7 PolarHBondContact O-N 2.81Å; Y4-Y7 PolarHBondContact O-N 3.08Å; I5-Y7 PolarHBondContact O-N 3.39Å; Y7-L10 PolarHBondContact O-N 3.03Å; Y7-W11 WeakPolarHBondContact O-CB 2.98Å; Y7-W11 PolarHBondContact O-N 3.28Å
8I90.2Very high82.7Confident71 Ų71110.9 Ų110.936%0.36456%0.562SS.*Hα-helixtrans-62.7-45.5176.3-68.2168.3000110.6Y4 I5 L10 W11 L12Y4-I8 HydrophobicContact CD1-CD1 3.69Å; Y4-I8 HydrophobicContact CE1-CD1 3.31Å; Y4-I8 HydrophobicContact CE1-CG1 4.19Å; Y4-I8 PolarHBondContact O-N 3.48Å; Y4-I8 VanDerWaalsContact O-N 3.13Å; I5-I8 PolarHBondContact O-N 3.48Å; I8-L10 VanDerWaalsContact C-N 3.34Å; I8-L10 PolarHBondContact O-N 2.99Å; I8-W11 PolarHBondContact O-N 3.2Å; I8-L12 HydrophobicContact CG2-CD1 4.06Å; I8-L12 HydrophobicContact CG2-CG 4.41Å; I8-L12 WeakPolarHBondContact O-CG 3.34Å; I8-L12 PolarHBondContact O-N 3.22Å
9I89.2Confident81.8Confident96 Ų96108.5 Ų108.549%0.49256%0.556SS.*Hα-helixtrans-61.5-45.3179-66.2167.3000110.3I5 Q6 W11 L12 V13I5-I9 HydrophobicContact CG2-CD1 3.93Å; I5-I9 WeakPolarHBondContact O-CG1 3.21Å; I5-I9 PolarHBondContact O-N 2.77Å; Q6-I9 PolarHBondContact O-N 3.29Å; I9-W11 VanDerWaalsContact C-N 3.32Å; I9-W11 PolarHBondContact O-N 3.18Å; I9-L12 PolarHBondContact O-N 2.7Å; I9-V13 WeakPolarHBondContact O-CG2 3.14Å; I9-V13 PolarHBondContact O-N 3.02Å
10L89.8Confident80.9Confident111 Ų111109.2 Ų109.258%0.58157%0.566SS**Hα-helixtrans-61.3-41.8178.2-171.669.8000111.7Q6 Y7 I8 V13 C14Q6-L10 WeakPolarHBondContact O-CB 3.14Å; Q6-L10 PolarHBondContact O-N 3.25Å; Y7-L10 PolarHBondContact O-N 3.03Å; I8-L10 VanDerWaalsContact C-N 3.34Å; I8-L10 PolarHBondContact O-N 2.99Å; L10-V13 PolarHBondContact O-N 3.19Å; L10-C14 PolarHBondContact O-N 2.03Å
11W90.5Very high79.9Confident168 Ų168111.4 Ų111.464%0.63658%0.577SS**Hα-helixtrans-63.8-42.7177.5-17376.6000112.3Y7 I8 I9 V13 C14 I15Y7-W11 WeakPolarHBondContact O-CB 2.98Å; Y7-W11 PolarHBondContact O-N 3.28Å; I8-W11 PolarHBondContact O-N 3.2Å; I9-W11 VanDerWaalsContact C-N 3.32Å; I9-W11 PolarHBondContact O-N 3.18Å; W11-V13 PolarHBondContact O-N 2.9Å; W11-C14 WeakPolarHBondContact O-CB 3.18Å; W11-C14 PolarHBondContact O-N 3.05Å; W11-I15 HydrophobicContact CD2-CD1 3.71Å; W11-I15 HydrophobicContact CD2-CG1 4.49Å; W11-I15 HydrophobicContact CE3-CD1 3.5Å; W11-I15 HydrophobicContact CH2-CD1 3.37Å; W11-I15 HydrophobicContact CZ2-CD1 3.57Å; W11-I15 HydrophobicContact CZ3-CD1 3.33Å; W11-I15 WeakPolarHBondContact O-CG1 3.42Å; W11-I15 PolarHBondContact O-N 3.06Å
12L87.2Confident79.9Confident89 Ų89105.7 Ų105.747%0.46656%0.557SS.*Hα-helixtrans-64.1-39.2176.4-69.9174.2000112.3I8 I9 C14 I15 T16I8-L12 HydrophobicContact CG2-CD1 4.06Å; I8-L12 HydrophobicContact CG2-CG 4.41Å; I8-L12 WeakPolarHBondContact O-CG 3.34Å; I8-L12 PolarHBondContact O-N 3.22Å; I9-L12 PolarHBondContact O-N 2.7Å; L12-C14 VanDerWaalsContact C-N 3.33Å; L12-I15 PolarHBondContact O-N 3.49Å; L12-T16 WeakPolarHBondContact O-CG2 3.18Å; L12-T16 PolarHBondContact O-N 3Å; L12-T16 PolarHBondContact O-OG1 3.21Å
13V88.6Confident79Confident82 Ų82106 Ų10650%0.49756%0.559SS.*Hα-helixtrans-64.3-38.5174.7172.90000111.3I9 L10 W11 T16 L17I9-V13 WeakPolarHBondContact O-CG2 3.14Å; I9-V13 PolarHBondContact O-N 3.02Å; L10-V13 PolarHBondContact O-N 3.19Å; W11-V13 PolarHBondContact O-N 2.9Å; V13-T16 PolarHBondContact O-OG1 2.92Å; V13-T16 VanDerWaalsContact O-OG1 3.12Å; V13-L17 VanDerWaalsContact O-CB 3.28Å; V13-L17 WeakPolarHBondContact O-CB 3.48Å; V13-L17 PolarHBondContact O-N 3Å
14C84.9Confident78.2Confident70 Ų70112.8 Ų112.847%0.47358%0.581SS.*Hα-helixtrans-62.1-43.4173.4-76.90000112L10 W11 L12 L17 T18L10-C14 PolarHBondContact O-N 2.03Å; W11-C14 WeakPolarHBondContact O-CB 3.18Å; W11-C14 PolarHBondContact O-N 3.05Å; L12-C14 VanDerWaalsContact C-N 3.33Å; C14-L17 PolarHBondContact O-N 3.42Å; C14-T18 WeakPolarHBondContact O-CG2 3.39Å; C14-T18 PolarHBondContact O-N 3.31Å; C14-T18 PolarHBondContact O-OG1 3.37Å
15I83.2Confident76.7Confident72 Ų72113.1 Ų113.137%0.36959%0.588SS.*Hα-helixtrans-63.2-47.6178.8-67.4171.2000111W11 L12 L17 T18 S19W11-I15 HydrophobicContact CD2-CD1 3.71Å; W11-I15 HydrophobicContact CD2-CG1 4.49Å; W11-I15 HydrophobicContact CE3-CD1 3.5Å; W11-I15 HydrophobicContact CH2-CD1 3.37Å; W11-I15 HydrophobicContact CZ2-CD1 3.57Å; W11-I15 HydrophobicContact CZ3-CD1 3.33Å; W11-I15 WeakPolarHBondContact O-CG1 3.42Å; W11-I15 PolarHBondContact O-N 3.06Å; L12-I15 PolarHBondContact O-N 3.49Å; I15-L17 VanDerWaalsContact C-N 3.33Å; I15-L17 PolarHBondContact O-N 2.89Å; I15-T18 WeakPolarHBondContact CA-OG1 3.23Å; I15-T18 PolarHBondContact O-N 3.16Å; I15-T18 PolarHBondContact O-OG1 2.98Å; I15-S19 PolarHBondContact O-N 2.03Å
16T77.8Confident75.3Confident82 Ų82113.1 Ų113.150%0.50359%0.592SS.*Hα-helixtrans-65.2-38.9-180570000111.3L12 V13 T18 S19 V20L12-T16 WeakPolarHBondContact O-CG2 3.18Å; L12-T16 PolarHBondContact O-N 3Å; L12-T16 PolarHBondContact O-OG1 3.21Å; V13-T16 PolarHBondContact O-OG1 2.92Å; V13-T16 VanDerWaalsContact O-OG1 3.12Å; T16-T18 VanDerWaalsContact C-N 3.31Å; T16-T18 PolarHBondContact O-N 2.02Å; T16-S19 WeakPolarHBondContact CA-OG 3.06Å; T16-S19 PolarHBondContact O-N 3.2Å; T16-S19 VanDerWaalsContact O-N 3.14Å; T16-S19 PolarHBondContact O-OG 3.35Å; T16-V20 PolarHBondContact O-N 2.79Å
17L73.9Confident73.9Confident126 Ų126110.8 Ų110.866%0.6659%0.585SS**Hα-helixtrans-61.7-38.2174.8-171.762.7000112.3V13 C14 I15V13-L17 VanDerWaalsContact O-CB 3.28Å; V13-L17 WeakPolarHBondContact O-CB 3.48Å; V13-L17 PolarHBondContact O-N 3Å; C14-L17 PolarHBondContact O-N 3.42Å; I15-L17 VanDerWaalsContact C-N 3.33Å; I15-L17 PolarHBondContact O-N 2.89Å
18T71.9Confident72.2Confident87 Ų87107.7 Ų107.753%0.53458%0.576SS.*Hα-helixtrans-69.2-32174.754.70000113.3C14 I15 T16 L21 S22C14-T18 WeakPolarHBondContact O-CG2 3.39Å; C14-T18 PolarHBondContact O-N 3.31Å; C14-T18 PolarHBondContact O-OG1 3.37Å; I15-T18 WeakPolarHBondContact CA-OG1 3.23Å; I15-T18 PolarHBondContact O-N 3.16Å; I15-T18 PolarHBondContact O-OG1 2.98Å; T16-T18 VanDerWaalsContact C-N 3.31Å; T16-T18 PolarHBondContact O-N 2.02Å; T18-L21 PolarHBondContact O-N 3.4Å; T18-S22 PolarHBondContact O-OG 2.04Å
19S65.1Low70.4Confident65 Ų65112.1 Ų112.146%0.45560%0.595SS.*Hα-helixtrans-68.6-33.417968.10000113.1I15 T16 L21 S22I15-S19 PolarHBondContact O-N 2.03Å; T16-S19 WeakPolarHBondContact CA-OG 3.06Å; T16-S19 PolarHBondContact O-N 3.2Å; T16-S19 VanDerWaalsContact O-N 3.14Å; T16-S19 PolarHBondContact O-OG 3.35Å; S19-L21 PolarHBondContact O-N 2.95Å; S19-S22 PolarHBondContact O-N 2.88Å
20V63.8Low68.9Low122 Ų122117.4 Ų117.474%0.73962%0.615SS**Hα-helixtrans-68.2-24176.5-175.60000111.6T16 S22T16-V20 PolarHBondContact O-N 2.79Å; V20-S22 VanDerWaalsContact C-N 3.34Å
21L60.3Low68Low155 Ų155117.3 Ų117.381%0.81262%0.618SS**THydrogen-bonded Turntrans-85.6-2-179-141.976.2000114.3T18 S19T18-L21 PolarHBondContact O-N 3.4Å; S19-L21 PolarHBondContact O-N 2.95Å
22S59.4Low67.6Low84 Ų84112.2 Ų112.259%0.58761%0.607SS**  trans-116.928.3-164.6-53.50000114.5T18 S19 V20T18-S22 PolarHBondContact O-OG 2.04Å; S19-S22 PolarHBondContact O-N 2.88Å; V20-S22 VanDerWaalsContact C-N 3.34Å
23N58.1Low67.4Low137 Ų137108 Ų10873%0.73359%0.586SS**  trans-128.737.3174.6-58.6-10.8000112.6E25N23-E25 VanDerWaalsContact C-N 3.26Å; N23-E25 PolarHBondContact O-N 3.37Å
24E60.5Low67.3Low180 Ų180108.8 Ų108.884%0.84159%0.587SS**  trans-86.490.9143.1-73.5-169.4112.900104.9V26E24-V26 WeakPolarHBondContact O-CG2 3.41Å; E24-V26 PolarHBondContact O-N 3.24Å
25E55.9Low67.5Low180 Ų180109.4 Ų109.484%0.84159%0.585SS**  trans-48.588.1158.535.8-176.7111.800107.4N23 D27N23-E25 VanDerWaalsContact C-N 3.26Å; N23-E25 PolarHBondContact O-N 3.37Å; E25-D27 PolarHBondContact O-N 2.88Å
26V56.8Low67.6Low85 Ų85111.4 Ų111.452%0.51560%0.597SS.*  trans-65.596165.7-162.10000103.1E24 Q28E24-V26 WeakPolarHBondContact O-CG2 3.41Å; E24-V26 PolarHBondContact O-N 3.24Å; V26-Q28 HydrophobicContact CB-CG 3.79Å; V26-Q28 HydrophobicContact CG1-CB 4.42Å; V26-Q28 HydrophobicContact CG1-CG 3.18Å; V26-Q28 PolarHBondContact O-N 3.47Å
27D55.5Low68Low97 Ų97111.8 Ų111.852%0.51959%0.593SS.*  trans-61.467.2157.617853.9000106.9E25 Q29 R45E25-D27 PolarHBondContact O-N 2.88Å; D27-Q29 PolarHBondContact O-N 3.36Å; D27-R45 IonicContact OD2-CZ 3.88Å; D27-R45 IonicContact OD2-NH2 2.9Å; D27-R45 PolarHBondContact OD2-NH2 2.64Å
28Q53.7Low68.4Low102 Ų102110 Ų11048%0.47759%0.591SS.*  trans-72.1115.6155-58.8-150.8-25.500102.8V26V26-Q28 HydrophobicContact CB-CG 3.79Å; V26-Q28 HydrophobicContact CG1-CB 4.42Å; V26-Q28 HydrophobicContact CG1-CG 3.18Å; V26-Q28 PolarHBondContact O-N 3.47Å
29Q52.9Low69Low164 Ų164106 Ų10677%0.76657%0.566SS**SBend140.1106.5121.9-157.7146.63.500108.9D27D27-Q29 PolarHBondContact O-N 3.36Å
30K56.3Low69.7Low208 Ų208104.1 Ų104.190%0.90455%0.553SS**SBendtrans97.48.5150.5-136.3179.7-172.9-173.20119
31V72.3Confident69.7Low109 Ų109102.6 Ų102.666%0.66153%0.534SS*.  trans-102.1112.1165.6-171.20000108.1
32C82.6Confident70.1Confident60 Ų60100.7 Ų100.741%0.40552%0.523SS..  trans-70.9147.616761.10000108.6R46 C48C32-R46 CarbonylContact C-O 3.54Å; C32-R46 WeakPolarHBondContact CA-O 3.11Å; C32-R46 WeakPolarHBondContact CB-O 3.03Å; C32-C48 HydrophobicContact CB-CB 3.89Å; C32-C48 WeakPolarHBondContact CB-SG 3.43Å; C32-C48 PolarHBondContact O-SG 3.39Å; C32-C48 VanDerWaalsContact SG-CA 3.52Å; C32-C48 WeakPolarHBondContact SG-CB 3.08Å; C32-C48 CovalentContact SG-SG 2.03Å; C32-C48 PolarHBondContact SG-SG 2.03Å
33S82.2Confident70.1Confident2 Ų2100.9 Ų100.91%0.01452%0.518CS..BIsolated β-bridgetrans-83.1133.6-177.3-71.20000111.5E37 S38 R46 C47 C48 C61S33-E37 WeakPolarHBondContact CA-OE2 3.33Å; S33-S38 PolarHBondContact OG-O 2.89Å; S33-R46 PolarHBondContact N-O 3.23Å; S33-C47 WeakPolarHBondContact O-CA 3.08Å; S33-C48 PolarHBondContact O-N 3.06Å; S33-C61 VanDerWaalsContact CB-SG 3.54Å
34N86.9Confident70.3Confident97 Ų97101.9 Ų101.952%0.51952%0.516SS..  trans-78.7-177178.7-146.4-83.9000111.9N36 E37 C61N34-N36 PolarHBondContact O-N 3.29Å; N34-E37 HydrophobicContact CB-CG 4.24Å; N34-E37 PolarHBondContact N-OE2 3.16Å; N34-E37 WeakPolarHBondContact O-CB 3.49Å; N34-E37 PolarHBondContact O-N 2.76Å; N34-E37 VanDerWaalsContact O-N 3.16Å; N34-C61 VanDerWaalsContact O-CB 3.28Å; N34-C61 WeakPolarHBondContact O-CB 3.02Å
35L87.7Confident70.5Confident83 Ų8398.3 Ų98.344%0.43549%0.494SS..THydrogen-bonded Turntrans-59.6133.5179.8-172.568.5000111.1E37 L51 E63L35-E37 PolarHBondContact O-N 2.8Å; L35-L51 HydrophobicContact CB-CD2 3.96Å; L35-L51 HydrophobicContact CD1-CD2 3.84Å; L35-E63 HydrophobicContact CD1-CB 4.32Å
36N85.8Confident71.6Confident115 Ų11599 Ų9962%0.61549%0.489SS*.THydrogen-bonded Turntrans64.59.1-175.9-59.9-54.6000116.1N34 C61N34-N36 PolarHBondContact O-N 3.29Å; N36-C61 WeakPolarHBondContact CA-O 3.36Å; N36-C61 PolarHBondContact N-O 3.17Å
37E86.4Confident72.9Confident89 Ų8995.9 Ų95.942%0.41647%0.471SS..  trans-82.3154.8173.8-68.7-169.3165.800112.4S33 N34 L35 C39 T60 C61S33-E37 WeakPolarHBondContact CA-OE2 3.33Å; N34-E37 HydrophobicContact CB-CG 4.24Å; N34-E37 PolarHBondContact N-OE2 3.16Å; N34-E37 WeakPolarHBondContact O-CB 3.49Å; N34-E37 PolarHBondContact O-N 2.76Å; N34-E37 VanDerWaalsContact O-N 3.16Å; L35-E37 PolarHBondContact O-N 2.8Å; E37-C39 PolarHBondContact O-N 2.93Å; E37-T60 CarbonylContact O-C 3.56Å; E37-T60 VanDerWaalsContact O-CA 3.29Å; E37-T60 WeakPolarHBondContact O-CA 3.37Å; E37-C61 PolarHBondContact O-N 3.32Å
38S82.7Confident74.4Confident88 Ų8891.9 Ų91.962%0.61545%0.451SS*.EExtended strand (participates in β ladder)trans-69.9126.4-179.5-60.50000112.1S33 G59S33-S38 PolarHBondContact OG-O 2.89Å; S38-G59 CarbonylContact C-O 3.57Å; S38-G59 WeakPolarHBondContact CA-O 3.31Å
39C84.3Confident75.9Confident3 Ų395 Ų952%0.0247%0.47CS..EExtended strand (participates in β ladder)trans-114.6152.7175.1600000111.6E37 C53 T58 G59 T60E37-C39 PolarHBondContact O-N 2.93Å; C39-C53 HydrophobicContact CB-CB 3.88Å; C39-C53 WeakPolarHBondContact CB-SG 3.03Å; C39-C53 WeakPolarHBondContact SG-CA 3.33Å; C39-C53 WeakPolarHBondContact SG-CB 3.45Å; C39-C53 CovalentContact SG-SG 2.02Å; C39-C53 PolarHBondContact SG-SG 2.77Å; C39-T58 CarbonylContact O-C 3.47Å; C39-T58 WeakPolarHBondContact O-CA 3.01Å; C39-G59 PolarHBondContact N-O 3.37Å; C39-G59 PolarHBondContact O-N 3.18Å; C39-G59 PolarHBondContact SG-O 2.89Å; C39-T60 VanDerWaalsContact SG-C 3.57Å
40S78.7Confident77.4Confident26 Ų2696.2 Ų96.218%0.18247%0.473CS..EExtended strand (participates in β ladder)trans-130.2127.4173.9178.50000109.7I42 L43 F57S40-I42 VanDerWaalsContact C-N 3.33Å; S40-L43 PolarHBondContact OG-N 3.16Å; S40-F57 WeakPolarHBondContact CA-O 3.49Å
41R65.8Low78.9Confident91 Ų9188.3 Ų88.334%0.34344%0.441SS..THydrogen-bonded Turntrans-70.9-30.2178.6-78.8-171.8179.7-153.5-4.7112.7G55 F57R41-G55 PolarHBondContact NE-O 2.83Å; R41-F57 PolarHBondContact N-O 2.02Å
42I67.6Low79.6Confident114 Ų11484.1 Ų84.159%0.58542%0.415SS*.THydrogen-bonded Turntrans-87-35.8-174.7-61176.2000110.8S40 F57S40-I42 VanDerWaalsContact C-N 3.33Å; I42-F57 HydrophobicContact CD1-CD1 3.58Å; I42-F57 HydrophobicContact CD1-CE1 4.03Å; I42-F57 HydrophobicContact CG1-CD1 4.43Å
43L60.5Low79.9Confident89 Ų8982.6 Ų82.647%0.46641%0.405SS..THydrogen-bonded Turntrans-117.380-174.1-62.6173.5000110.5S40 R45S40-L43 PolarHBondContact OG-N 3.16Å; L43-R45 PolarHBondContact O-N 3.28Å
44F60.9Low80.2Confident157 Ų15785 Ų8569%0.68942%0.416SS*.THydrogen-bonded Turntrans35.36.1160.1-56.1-76.5000122.2R46F44-R46 PolarHBondContact O-N 3.41Å
45R65.4Low80.1Confident105 Ų10581.3 Ų81.340%0.39640%0.4SS..BIsolated β-bridgetrans-81.886.5174-72.2-161.7178.4-137.3-7.2109.5D27 L43D27-R45 IonicContact OD2-CZ 3.88Å; D27-R45 IonicContact OD2-NH2 2.9Å; D27-R45 PolarHBondContact OD2-NH2 2.64Å; L43-R45 PolarHBondContact O-N 3.28Å
46R78Confident79.7Confident195 Ų19584 Ų8474%0.73641%0.409SS*.PPolyproline II helixtrans-77.1141.4172.3-64-176.3-177.3165.41.7109.3C32 S33 F44C32-R46 CarbonylContact C-O 3.54Å; C32-R46 WeakPolarHBondContact CA-O 3.11Å; C32-R46 WeakPolarHBondContact CB-O 3.03Å; S33-R46 PolarHBondContact N-O 3.23Å; F44-R46 PolarHBondContact O-N 3.41Å
47C85.8Confident79.3Confident19 Ų1985.1 Ų85.113%0.12841%0.409CS..BIsolated β-bridgetrans-67.9148.5167.4-53.40000109.9S33 L51 C61S33-C47 WeakPolarHBondContact O-CA 3.08Å; C47-L51 HydrophobicContact CB-CB 3.46Å; C47-L51 VanDerWaalsContact CB-CB 3.46Å; C47-L51 WeakPolarHBondContact CB-O 3.41Å; C47-C61 WeakPolarHBondContact CA-SG 2.95Å; C47-C61 HydrophobicContact CB-CB 3.7Å; C47-C61 WeakPolarHBondContact CB-SG 3.02Å; C47-C61 WeakPolarHBondContact SG-CA 3.21Å; C47-C61 WeakPolarHBondContact SG-CB 3.48Å; C47-C61 CovalentContact SG-SG 2.03Å; C47-C61 PolarHBondContact SG-SG 3.05Å
48C86.7Confident79.1Confident14 Ų1486.1 Ų86.110%0.09542%0.421CS..SBendtrans-67149.9177.2-59.10000111.6C32 S33 K50 L51C32-C48 HydrophobicContact CB-CB 3.89Å; C32-C48 WeakPolarHBondContact CB-SG 3.43Å; C32-C48 PolarHBondContact O-SG 3.39Å; C32-C48 VanDerWaalsContact SG-CA 3.52Å; C32-C48 WeakPolarHBondContact SG-CB 3.08Å; C32-C48 CovalentContact SG-SG 2.03Å; C32-C48 PolarHBondContact SG-SG 2.03Å; S33-C48 PolarHBondContact O-N 3.06Å; C48-K50 PolarHBondContact O-N 2.87Å; C48-L51 WeakPolarHBondContact O-CB 3.44Å; C48-L51 WeakPolarHBondContact O-CD1 3Å; C48-L51 PolarHBondContact O-N 3.47Å
49D84.1Confident79.3Confident166 Ų16682.6 Ų82.689%0.88840%0.399SS*.THydrogen-bonded Turntrans51.5-115168.7-57.2-53.2000115.7
50K84.2Confident79.6Confident191 Ų19184.8 Ų84.883%0.8341%0.412SS*.THydrogen-bonded Turntrans-97.75.1-178.4-65.1-174.9-178.5-178.90113.1C48C48-K50 PolarHBondContact O-N 2.87Å
51L88.4Confident80.1Confident41 Ų4183.6 Ų83.622%0.21540%0.403CS..  trans-72149.7-179.7-73.291.2000111L35 C47 C48 C61 V62L35-L51 HydrophobicContact CB-CD2 3.96Å; L35-L51 HydrophobicContact CD1-CD2 3.84Å; C47-L51 HydrophobicContact CB-CB 3.46Å; C47-L51 VanDerWaalsContact CB-CB 3.46Å; C47-L51 WeakPolarHBondContact CB-O 3.41Å; C48-L51 WeakPolarHBondContact O-CB 3.44Å; C48-L51 WeakPolarHBondContact O-CD1 3Å; C48-L51 PolarHBondContact O-N 3.47Å; L51-C61 HydrophobicContact CB-CB 4.42Å; L51-C61 HydrophobicContact CD2-CB 3.99Å; L51-V62 WeakPolarHBondContact CA-O 3.42Å
52V87.8Confident81.4Confident22 Ų2280 Ų8013%0.13339%0.392CS..EExtended strand (participates in β ladder)trans-124.9132.9-171.3-78.60000109.7Q54 V62 L65 D76V52-Q54 PolarHBondContact O-N 2.96Å; V52-V62 HydrophobicContact CG2-CG2 4.18Å; V52-V62 WeakPolarHBondContact CG2-O 3Å; V52-V62 PolarHBondContact N-O 2.66Å; V52-V62 PolarHBondContact O-N 3.48Å; V52-L65 HydrophobicContact CB-CD1 3.54Å; V52-L65 HydrophobicContact CG2-CD1 3.11Å; V52-D76 HydrophobicContact CB-CB 4.47Å; V52-D76 HydrophobicContact CG1-CB 3.83Å
53C88.1Confident82.5Confident27 Ų2782 Ų8218%0.18240%0.398CS..EExtended strand (participates in β ladder)trans-81.4109.4-175.9-1800000110.7C39 G55C39-C53 HydrophobicContact CB-CB 3.88Å; C39-C53 WeakPolarHBondContact CB-SG 3.03Å; C39-C53 WeakPolarHBondContact SG-CA 3.33Å; C39-C53 WeakPolarHBondContact SG-CB 3.45Å; C39-C53 CovalentContact SG-SG 2.02Å; C39-C53 PolarHBondContact SG-SG 2.77Å; C53-G55 PolarHBondContact O-N 2.8Å
54Q88.9Confident83.9Confident54 Ų5480.2 Ų80.225%0.25239%0.393SS..EExtended strand (participates in β ladder)trans-8397178.2-178.6-172.4-46.800110.7V52 G59 T60 V62 K69V52-Q54 PolarHBondContact O-N 2.96Å; Q54-G59 WeakPolarHBondContact O-CA 2.97Å; Q54-T60 WeakPolarHBondContact CB-O 3.46Å; Q54-T60 PolarHBondContact N-O 3.2Å; Q54-T60 PolarHBondContact O-N 3.43Å; Q54-V62 HydrophobicContact CB-CG2 3.99Å; Q54-K69 HydrophobicContact CG-CD 4.12Å
55G84Confident85.4Confident18 Ų1872.9 Ų72.919%0.18636%0.361CS..SBendtrans163.7167.7174.300000113.7R41 C53R41-G55 PolarHBondContact NE-O 2.83Å; C53-G55 PolarHBondContact O-N 2.8Å
56F79.5Confident86.5Confident139 Ų13969.3 Ų69.361%0.6136%0.357SS*.SBendtrans-84.1-42.7176.4-74.7-86.2000112.6L70F56-L70 HydrophobicContact CD1-CD2 3.85Å; F56-L70 HydrophobicContact CE1-CD1 3.71Å; F56-L70 HydrophobicContact CE1-CD2 3.77Å; F56-L70 HydrophobicContact CE1-CG 4.35Å; F56-L70 HydrophobicContact CZ-CD1 3.82Å; F56-L70 HydrophobicContact CZ-CD2 4.4Å
57F77.6Confident87.1Confident140 Ų14064.1 Ų64.161%0.61434%0.343SS*.SBendtrans-127.6-58.3-175.5-69.4-73.1000110.8S40 R41 I42S40-F57 WeakPolarHBondContact CA-O 3.49Å; R41-F57 PolarHBondContact N-O 2.02Å; I42-F57 HydrophobicContact CD1-CD1 3.58Å; I42-F57 HydrophobicContact CD1-CE1 4.03Å; I42-F57 HydrophobicContact CG1-CD1 4.43Å
58T81.6Confident87.2Confident110 Ų11069 Ų6968%0.67537%0.367SS*.EExtended strand (participates in β ladder)trans-111.2150.2165.954.50000108.9C39C39-T58 CarbonylContact O-C 3.47Å; C39-T58 WeakPolarHBondContact O-CA 3.01Å
59G87.9Confident87.3Confident14 Ų1472.2 Ų72.214%0.14438%0.38CS..EExtended strand (participates in β ladder)trans-160.9-170.7-175.400000112S38 C39 Q54S38-G59 CarbonylContact C-O 3.57Å; S38-G59 WeakPolarHBondContact CA-O 3.31Å; C39-G59 PolarHBondContact N-O 3.37Å; C39-G59 PolarHBondContact O-N 3.18Å; C39-G59 PolarHBondContact SG-O 2.89Å; Q54-G59 WeakPolarHBondContact O-CA 2.97Å
60T89.2Confident87.5Confident49 Ų4966.1 Ų66.130%0.30135%0.347SS..EExtended strand (participates in β ladder)trans-119.4147.217153.30000110.7E37 C39 Q54 V62E37-T60 CarbonylContact O-C 3.56Å; E37-T60 VanDerWaalsContact O-CA 3.29Å; E37-T60 WeakPolarHBondContact O-CA 3.37Å; C39-T60 VanDerWaalsContact SG-C 3.57Å; Q54-T60 WeakPolarHBondContact CB-O 3.46Å; Q54-T60 PolarHBondContact N-O 3.2Å; Q54-T60 PolarHBondContact O-N 3.43Å; T60-V62 PolarHBondContact O-N 2.9Å
61C90.8Very high87.8Confident0 Ų057.1 Ų57.10%031%0.308CS..EExtended strand (participates in β ladder)trans-75.9120.4172-68.20000110S33 N34 N36 E37 C47 L51S33-C61 VanDerWaalsContact CB-SG 3.54Å; N34-C61 VanDerWaalsContact O-CB 3.28Å; N34-C61 WeakPolarHBondContact O-CB 3.02Å; N36-C61 WeakPolarHBondContact CA-O 3.36Å; N36-C61 PolarHBondContact N-O 3.17Å; E37-C61 PolarHBondContact O-N 3.32Å; C47-C61 WeakPolarHBondContact CA-SG 2.95Å; C47-C61 HydrophobicContact CB-CB 3.7Å; C47-C61 WeakPolarHBondContact CB-SG 3.02Å; C47-C61 WeakPolarHBondContact SG-CA 3.21Å; C47-C61 WeakPolarHBondContact SG-CB 3.48Å; C47-C61 CovalentContact SG-SG 2.03Å; C47-C61 PolarHBondContact SG-SG 3.05Å; L51-C61 HydrophobicContact CB-CB 4.42Å; L51-C61 HydrophobicContact CD2-CB 3.99Å
62V91.5Very high87.7Confident17 Ų1761.9 Ų61.910%0.10333%0.328CS..EExtended strand (participates in β ladder)trans-123.2157.1176.2-66.70000110.1L51 V52 Q54 T60 L65L51-V62 WeakPolarHBondContact CA-O 3.42Å; V52-V62 HydrophobicContact CG2-CG2 4.18Å; V52-V62 WeakPolarHBondContact CG2-O 3Å; V52-V62 PolarHBondContact N-O 2.66Å; V52-V62 PolarHBondContact O-N 3.48Å; Q54-V62 HydrophobicContact CB-CG2 3.99Å; T60-V62 PolarHBondContact O-N 2.9Å; V62-L65 HydrophobicContact CG2-CD1 4.04Å
63E91.3Very high87.7Confident155 Ų15569.3 Ų69.372%0.72435%0.353SS*.SBendtrans-69.1-42.2176-175.9177.3-171.900111.4L35L35-E63 HydrophobicContact CD1-CB 4.32Å
64C90.4Very high87.6Confident51 Ų5170.5 Ų70.535%0.34536%0.362SS..SBendtrans-144147.3176.470.20000111.4D76 C78C64-D76 WeakPolarHBondContact CA-O 3.19Å; C64-C78 HydrophobicContact CB-CB 3.86Å; C64-C78 WeakPolarHBondContact CB-SG 3.2Å; C64-C78 WeakPolarHBondContact SG-CB 3.36Å; C64-C78 CovalentContact SG-SG 2.04Å; C64-C78 PolarHBondContact SG-SG 3.01Å
65L91.6Very high87.5Confident3 Ų372 Ų722%0.01638%0.378CS..BIsolated β-bridgetrans-80.7127.8178.3-89.469.2000110.4V52 V62 K69 L70 C71 D76 C77 C78 C87V52-L65 HydrophobicContact CB-CD1 3.54Å; V52-L65 HydrophobicContact CG2-CD1 3.11Å; V62-L65 HydrophobicContact CG2-CD1 4.04Å; L65-K69 HydrophobicContact CB-CB 3.94Å; L65-K69 HydrophobicContact CD2-CB 3.93Å; L65-K69 HydrophobicContact CG-CB 3.95Å; L65-L70 VanDerWaalsContact CD2-C 3.45Å; L65-L70 WeakPolarHBondContact CD2-O 3.19Å; L65-C71 HydrophobicContact CD2-CB 4.09Å; L65-D76 HydrophobicContact CD1-CB 4.47Å; L65-D76 PolarHBondContact N-O 3.48Å; L65-C77 WeakPolarHBondContact O-CA 3.44Å; L65-C78 PolarHBondContact O-N 3.14Å; L65-C78 PolarHBondContact O-SG 2.69Å; L65-C78 VanDerWaalsContact O-SG 3.37Å; L65-C87 WeakPolarHBondContact CB-SG 3.45Å
66G89.4Confident87.6Confident31 Ų3172.7 Ų72.732%0.3238%0.377SS..  trans-67.2174.2171.200000113.5K69 C87G66-K69 VanDerWaalsContact O-CB 3.25Å; G66-K69 WeakPolarHBondContact O-CB 3.25Å; G66-K69 WeakPolarHBondContact O-CG 3.32Å; G66-K69 PolarHBondContact O-N 2.83Å; G66-C87 WeakPolarHBondContact O-CB 3.24Å
67I89.8Confident88.3Confident85 Ų8566.3 Ų66.344%0.43635%0.35SS..THydrogen-bonded Turntrans-58.9143.5179.9-54.2166.4000110.4K69 E89I67-K69 PolarHBondContact O-N 3.37Å; I67-K69 VanDerWaalsContact O-N 3.17Å; I67-E89 HydrophobicContact CD1-CB 4.06Å; I67-E89 HydrophobicContact CD1-CG 4.27Å; I67-E89 HydrophobicContact CG1-CB 4.46Å
68N88.1Confident88.9Confident121 Ų12163.3 Ų63.365%0.64735%0.346SS*.THydrogen-bonded Turntrans62.68.4-176.6-62.9-54.4000115.8H86 C87N68-H86 PolarHBondContact O-ND1 3.48Å; N68-C87 PolarHBondContact N-O 3.29Å
69K89.3Confident89.2Confident83 Ų8359 Ų5936%0.36132%0.32SS..  trans-81.3154.6174.4-59.1-62.3-178.3172.50112Q54 L65 G66 I67 C71 H86 C87Q54-K69 HydrophobicContact CG-CD 4.12Å; L65-K69 HydrophobicContact CB-CB 3.94Å; L65-K69 HydrophobicContact CD2-CB 3.93Å; L65-K69 HydrophobicContact CG-CB 3.95Å; G66-K69 VanDerWaalsContact O-CB 3.25Å; G66-K69 WeakPolarHBondContact O-CB 3.25Å; G66-K69 WeakPolarHBondContact O-CG 3.32Å; G66-K69 PolarHBondContact O-N 2.83Å; I67-K69 PolarHBondContact O-N 3.37Å; I67-K69 VanDerWaalsContact O-N 3.17Å; K69-C71 PolarHBondContact O-N 3.23Å; K69-H86 CarbonylContact O-C 3.57Å; K69-H86 VanDerWaalsContact O-CA 3.32Å; K69-H86 WeakPolarHBondContact O-CA 3.45Å; K69-C87 PolarHBondContact O-N 2.87Å
70L88.9Confident89.2Confident37 Ų3760.6 Ų60.619%0.19434%0.337CS..BIsolated β-bridgetrans-76.3103-172.8-154.485000111.9F56 L65 F85F56-L70 HydrophobicContact CD1-CD2 3.85Å; F56-L70 HydrophobicContact CE1-CD1 3.71Å; F56-L70 HydrophobicContact CE1-CD2 3.77Å; F56-L70 HydrophobicContact CE1-CG 4.35Å; F56-L70 HydrophobicContact CZ-CD1 3.82Å; F56-L70 HydrophobicContact CZ-CD2 4.4Å; L65-L70 VanDerWaalsContact CD2-C 3.45Å; L65-L70 WeakPolarHBondContact CD2-O 3.19Å; L70-F85 CarbonylContact C-O 3.09Å; L70-F85 VanDerWaalsContact CA-O 3.24Å; L70-F85 WeakPolarHBondContact CA-O 3.48Å
71C90.1Very high89.2Confident2 Ų264 Ų641%0.01434%0.344CS..  trans-103.3148.9-17852.10000112.6L65 K69 C77 C82 F85 H86 C87L65-C71 HydrophobicContact CD2-CB 4.09Å; K69-C71 PolarHBondContact O-N 3.23Å; C71-C77 WeakPolarHBondContact CB-SG 3.49Å; C71-C77 VanDerWaalsContact SG-SG 3.65Å; C71-C82 HydrophobicContact CB-CB 3.82Å; C71-C82 WeakPolarHBondContact CB-SG 3.4Å; C71-C82 PolarHBondContact O-SG 3.05Å; C71-C82 VanDerWaalsContact O-SG 3.4Å; C71-C82 WeakPolarHBondContact SG-CA 2.96Å; C71-C82 WeakPolarHBondContact SG-CB 3.38Å; C71-C82 CovalentContact SG-SG 2.02Å; C71-C82 PolarHBondContact SG-SG 3.01Å; C71-F85 PolarHBondContact N-O 2.97Å; C71-H86 PolarHBondContact SG-N 3Å; C71-C87 VanDerWaalsContact CB-SG 3.59Å; C71-C87 PolarHBondContact SG-N 2.82Å; C71-C87 VanDerWaalsContact SG-N 3.36Å
72F86.5Confident89.3Confident142 Ų14265.4 Ų65.462%0.62335%0.353SS*.SBendtrans-100.1-38.1167.3-79.8-68000111.6
73R86.8Confident89.2Confident177 Ų17772.4 Ų72.467%0.66838%0.378SS*.SBendtrans-124.4148.3-179.7-155.3171-178.6-176.90.7110.5S75 D76R73-S75 WeakPolarHBondContact CD-OG 3.28Å; R73-S75 WeakPolarHBondContact CG-OG 3.4Å; R73-S75 PolarHBondContact O-N 2.92Å; R73-D76 WeakPolarHBondContact CB-OD2 3.46Å; R73-D76 PolarHBondContact N-OD2 3.26Å; R73-D76 VanDerWaalsContact O-CB 3.31Å; R73-D76 WeakPolarHBondContact O-CB 3.01Å; R73-D76 PolarHBondContact O-N 3.32Å
74S87.4Confident89.2Confident53 Ų5373.1 Ų73.137%0.37138%0.379SS..G310 helixtrans-61-30.3176.5-65.50000113.3D76 C77 G80 R81 C82S74-D76 PolarHBondContact O-N 3.34Å; S74-C77 PolarHBondContact O-N 3.29Å; S74-G80 WeakPolarHBondContact CB-O 3.21Å; S74-G80 CarbonylContact O-C 3.52Å; S74-G80 WeakPolarHBondContact O-CA 3.36Å; S74-R81 PolarHBondContact O-N 2.71Å; S74-C82 PolarHBondContact OG-N 3.43Å
75S85.7Confident89.2Confident84 Ų8476.8 Ų76.859%0.58739%0.389SS*.G310 helixtrans-67.9-15.3175.153.90000114.3R73 C77R73-S75 WeakPolarHBondContact CD-OG 3.28Å; R73-S75 WeakPolarHBondContact CG-OG 3.4Å; R73-S75 PolarHBondContact O-N 2.92Å; S75-C77 VanDerWaalsContact C-N 3.35Å
76D87.2Confident89.1Confident33 Ų3380.1 Ų80.118%0.17641%0.405CS..G310 helixtrans-82.2-20.8-178-54.6-18.9000111.1V52 C64 L65 R73 S74V52-D76 HydrophobicContact CB-CB 4.47Å; V52-D76 HydrophobicContact CG1-CB 3.83Å; C64-D76 WeakPolarHBondContact CA-O 3.19Å; L65-D76 HydrophobicContact CD1-CB 4.47Å; L65-D76 PolarHBondContact N-O 3.48Å; R73-D76 WeakPolarHBondContact CB-OD2 3.46Å; R73-D76 PolarHBondContact N-OD2 3.26Å; R73-D76 VanDerWaalsContact O-CB 3.31Å; R73-D76 WeakPolarHBondContact O-CB 3.01Å; R73-D76 PolarHBondContact O-N 3.32Å; S74-D76 PolarHBondContact O-N 3.34Å
77C92.3Very high89.2Confident6 Ų678.6 Ų78.64%0.04139%0.389CS..BIsolated β-bridgetrans-85.9141.1179.6-59.40000110.9L65 C71 S74 S75 S79 G80 C87L65-C77 WeakPolarHBondContact O-CA 3.44Å; C71-C77 WeakPolarHBondContact CB-SG 3.49Å; C71-C77 VanDerWaalsContact SG-SG 3.65Å; S74-C77 PolarHBondContact O-N 3.29Å; S75-C77 VanDerWaalsContact C-N 3.35Å; C77-S79 PolarHBondContact O-N 3.28Å; C77-S79 VanDerWaalsContact O-N 3.16Å; C77-G80 PolarHBondContact O-N 3.44Å; C77-C87 VanDerWaalsContact CA-SG 3.52Å; C77-C87 HydrophobicContact CB-CB 3.68Å; C77-C87 WeakPolarHBondContact CB-SG 3.08Å; C77-C87 WeakPolarHBondContact SG-CA 3.02Å; C77-C87 WeakPolarHBondContact SG-CB 3.46Å; C77-C87 CovalentContact SG-SG 2.03Å; C77-C87 PolarHBondContact SG-SG 2.67Å
78C90.5Very high89.3Confident76 Ų7679 Ų7951%0.51439%0.388SS..THydrogen-bonded Turntrans-58.8-30.9174.5-47.20000112C64 L65 G80C64-C78 HydrophobicContact CB-CB 3.86Å; C64-C78 WeakPolarHBondContact CB-SG 3.2Å; C64-C78 WeakPolarHBondContact SG-CB 3.36Å; C64-C78 CovalentContact SG-SG 2.04Å; C64-C78 PolarHBondContact SG-SG 3.01Å; L65-C78 PolarHBondContact O-N 3.14Å; L65-C78 PolarHBondContact O-SG 2.69Å; L65-C78 VanDerWaalsContact O-SG 3.37Å; C78-G80 VanDerWaalsContact C-N 3.32Å
79S87.6Confident89.2Confident21 Ų2179.1 Ų79.115%0.14739%0.385CS..THydrogen-bonded Turntrans-80-5.8175.8-42.30000114.6C77 R81 K88 Q90C77-S79 PolarHBondContact O-N 3.28Å; C77-S79 VanDerWaalsContact O-N 3.16Å; S79-R81 PolarHBondContact O-N 3Å; S79-K88 WeakPolarHBondContact CB-O 3.29Å; S79-K88 PolarHBondContact OG-O 3.21Å; S79-Q90 WeakPolarHBondContact O-CB 3.46Å
80G89.1Confident88.6Confident47 Ų4780 Ų8049%0.48539%0.39SS..SBendtrans67.315-175.300000115.2S74 C77 C78S74-G80 WeakPolarHBondContact CB-O 3.21Å; S74-G80 CarbonylContact O-C 3.52Å; S74-G80 WeakPolarHBondContact O-CA 3.36Å; C77-G80 PolarHBondContact O-N 3.44Å; C78-G80 VanDerWaalsContact C-N 3.32Å
81R89.4Confident87.6Confident120 Ų12083 Ų8345%0.45341%0.406SS..  trans-134.2110.4-177-175.2177.5-71.9179.7-3.8112S74 S79 K88S74-R81 PolarHBondContact O-N 2.71Å; S79-R81 PolarHBondContact O-N 3Å; R81-K88 HydrophobicContact CG-CB 4.49Å; R81-K88 PolarHBondContact O-N 3.27Å
82C91.5Very high86.2Confident29 Ų2985.6 Ų85.620%0.19643%0.425CS..EExtended strand (participates in β ladder)trans-98.6117168.7-172.70000109.5C71 S74C71-C82 HydrophobicContact CB-CB 3.82Å; C71-C82 WeakPolarHBondContact CB-SG 3.4Å; C71-C82 PolarHBondContact O-SG 3.05Å; C71-C82 VanDerWaalsContact O-SG 3.4Å; C71-C82 WeakPolarHBondContact SG-CA 2.96Å; C71-C82 WeakPolarHBondContact SG-CB 3.38Å; C71-C82 CovalentContact SG-SG 2.02Å; C71-C82 PolarHBondContact SG-SG 3.01Å; S74-C82 PolarHBondContact OG-N 3.43Å
83W91.1Very high84.8Confident165 Ų16583.8 Ų83.863%0.62542%0.421SS*.EExtended strand (participates in β ladder)trans-124.6122.9178.1-172.959000109.9F85 H86 K88W83-F85 VanDerWaalsContact C-N 3.32Å; W83-F85 PolarHBondContact O-N 3.39Å; W83-H86 PolarHBondContact N-O 3.23Å; W83-H86 PolarHBondContact O-N 2.97Å; W83-K88 HydrophobicContact CB-CB 4.37Å; W83-K88 HydrophobicContact CB-CD 4.48Å; W83-K88 HydrophobicContact CD2-CD 4.36Å; W83-K88 HydrophobicContact CE3-CD 3.8Å; W83-K88 HydrophobicContact CZ3-CD 4.45Å
84F91Very high83.4Confident169 Ų16979.8 Ų79.874%0.74141%0.412SS*.THydrogen-bonded Turntrans54.743-177.6-152.9-101.5000113.5H86F84-H86 PolarHBondContact O-CD2 3.41Å; F84-H86 PolarHBondContact O-N 3.3Å; F84-H86 VanDerWaalsContact O-N 3.16Å
85F89.1Confident81.9Confident128 Ų12881.8 Ų81.856%0.56142%0.422SS*.THydrogen-bonded Turntrans61.712.7-172.8-56.8-84.2000115.1L70 C71 W83L70-F85 CarbonylContact C-O 3.09Å; L70-F85 VanDerWaalsContact CA-O 3.24Å; L70-F85 WeakPolarHBondContact CA-O 3.48Å; C71-F85 PolarHBondContact N-O 2.97Å; W83-F85 VanDerWaalsContact C-N 3.32Å; W83-F85 PolarHBondContact O-N 3.39Å
86H91.1Very high80.5Confident73 Ų7381.1 Ų81.134%0.33842%0.415SS..EExtended strand (participates in β ladder)trans-120.3136.4174.8-70-86.8000111.7N68 K69 C71 W83 F84 K88N68-H86 PolarHBondContact O-ND1 3.48Å; K69-H86 CarbonylContact O-C 3.57Å; K69-H86 VanDerWaalsContact O-CA 3.32Å; K69-H86 WeakPolarHBondContact O-CA 3.45Å; C71-H86 PolarHBondContact SG-N 3Å; W83-H86 PolarHBondContact N-O 3.23Å; W83-H86 PolarHBondContact O-N 2.97Å; F84-H86 PolarHBondContact O-CD2 3.41Å; F84-H86 PolarHBondContact O-N 3.3Å; F84-H86 VanDerWaalsContact O-N 3.16Å; H86-K88 PolarHBondContact O-N 3.42Å
87C91.4Very high79Confident0 Ų081.9 Ų81.90%042%0.423CS..EExtended strand (participates in β ladder)trans-66124.5172.3-68.30000109.7L65 G66 N68 K69 C71 C77L65-C87 WeakPolarHBondContact CB-SG 3.45Å; G66-C87 WeakPolarHBondContact O-CB 3.24Å; N68-C87 PolarHBondContact N-O 3.29Å; K69-C87 PolarHBondContact O-N 2.87Å; C71-C87 VanDerWaalsContact CB-SG 3.59Å; C71-C87 PolarHBondContact SG-N 2.82Å; C71-C87 VanDerWaalsContact SG-N 3.36Å; C77-C87 VanDerWaalsContact CA-SG 3.52Å; C77-C87 HydrophobicContact CB-CB 3.68Å; C77-C87 WeakPolarHBondContact CB-SG 3.08Å; C77-C87 WeakPolarHBondContact SG-CA 3.02Å; C77-C87 WeakPolarHBondContact SG-CB 3.46Å; C77-C87 CovalentContact SG-SG 2.03Å; C77-C87 PolarHBondContact SG-SG 2.67Å
88K90.9Very high77.4Confident94 Ų9486.2 Ų86.241%0.40945%0.445SS..  trans-105150.9176.5-145.8-177.6-171.7176.80109.4S79 R81 W83 H86 Q90S79-K88 WeakPolarHBondContact CB-O 3.29Å; S79-K88 PolarHBondContact OG-O 3.21Å; R81-K88 HydrophobicContact CG-CB 4.49Å; R81-K88 PolarHBondContact O-N 3.27Å; W83-K88 HydrophobicContact CB-CB 4.37Å; W83-K88 HydrophobicContact CB-CD 4.48Å; W83-K88 HydrophobicContact CD2-CD 4.36Å; W83-K88 HydrophobicContact CE3-CD 3.8Å; W83-K88 HydrophobicContact CZ3-CD 4.45Å; H86-K88 PolarHBondContact O-N 3.42Å; K88-Q90 PolarHBondContact O-N 2.95Å
89E86.9Confident75.9Confident123 Ų12388.8 Ų88.858%0.57545%0.449SS*.  trans-59.1131.7167.7-168.7170.3-165.900109.5I67I67-E89 HydrophobicContact CD1-CB 4.06Å; I67-E89 HydrophobicContact CD1-CG 4.27Å; I67-E89 HydrophobicContact CG1-CB 4.46Å
90Q75.9Confident74.4Confident102 Ų10292.6 Ų92.648%0.47747%0.468SS..  trans-76.4126.1165.3-173.1-179.537.400105.3S79 K88 S92S79-Q90 WeakPolarHBondContact O-CB 3.46Å; K88-Q90 PolarHBondContact O-N 2.95Å; Q90-S92 PolarHBondContact O-N 3.47Å
91N67.7Low72.8Confident98 Ų9895 Ų9552%0.52447%0.469SS..  trans-67.771.3175.2-174.922.5000109.7N93 I94N91-N93 VanDerWaalsContact C-N 3.34Å; N91-I94 WeakPolarHBondContact ND2-CD1 3.49Å; N91-I94 WeakPolarHBondContact ND2-CG1 3.28Å
92S61.4Low71.1Confident58 Ų5892.2 Ų92.241%0.40647%0.466SS..  trans-83.9-13.6175.160.10000111.7Q90 I94 T95 T96Q90-S92 PolarHBondContact O-N 3.47Å; S92-I94 PolarHBondContact O-N 3.05Å; S92-T95 PolarHBondContact O-N 3.12Å; S92-T96 PolarHBondContact O-N 3.13Å; S92-T96 VanDerWaalsContact O-N 3.08Å; S92-T96 PolarHBondContact O-OG1 3.37Å; S92-T96 VanDerWaalsContact O-OG1 3.05Å
93N56.1Low69.3Low103 Ų10397.6 Ų97.655%0.55149%0.488SS*.THydrogen-bonded Turntrans-70.6-3.4173.6-97.76000114.4N91 S97N91-N93 VanDerWaalsContact C-N 3.34Å; N93-S97 VanDerWaalsContact O-CB 3.23Å; N93-S97 WeakPolarHBondContact O-CB 3.36Å; N93-S97 PolarHBondContact O-OG 3.04Å
94I57.2Low67.4Low94 Ų9494.5 Ų94.548%0.48249%0.487SS..THydrogen-bonded Turntrans-80.1-32.9162-64.4-174.4000110.3N91 S92 I98N91-I94 WeakPolarHBondContact ND2-CD1 3.49Å; N91-I94 WeakPolarHBondContact ND2-CG1 3.28Å; S92-I94 PolarHBondContact O-N 3.05Å; I94-I98 HydrophobicContact CG2-CD1 3.63Å; I94-I98 WeakPolarHBondContact O-CB 3.37Å; I94-I98 WeakPolarHBondContact O-CD1 3.37Å; I94-I98 WeakPolarHBondContact O-CG1 3.32Å; I94-I98 PolarHBondContact O-N 3.31Å
95T56.7Low65.6Low94 Ų9494 Ų9458%0.57749%0.487SS*.Hα-helixtrans-87.5-44.4-175.4-43.80000112.5S92 I98 E99S92-T95 PolarHBondContact O-N 3.12Å; T95-I98 PolarHBondContact O-N 3.4Å; T95-E99 WeakPolarHBondContact O-CB 3.03Å; T95-E99 PolarHBondContact O-N 3.32Å
96T56.9Low63.8Low70 Ų7094.9 Ų94.943%0.42949%0.493SS..Hα-helixtrans-73.9-30.2178.129.80000113.9S92 E99 N100S92-T96 PolarHBondContact O-N 3.13Å; S92-T96 VanDerWaalsContact O-N 3.08Å; S92-T96 PolarHBondContact O-OG1 3.37Å; S92-T96 VanDerWaalsContact O-OG1 3.05Å; T96-E99 PolarHBondContact O-N 3.46Å; T96-N100 PolarHBondContact O-N 3.48Å
97S55.1Low61.9Low50 Ų5097.8 Ų97.835%0.3551%0.511SS..Hα-helixtrans-73.7-35.9170.4-61.80000111.3N93 E99 D101N93-S97 VanDerWaalsContact O-CB 3.23Å; N93-S97 WeakPolarHBondContact O-CB 3.36Å; N93-S97 PolarHBondContact O-OG 3.04Å; S97-E99 VanDerWaalsContact C-N 3.32Å; S97-E99 PolarHBondContact O-N 3.06Å; S97-D101 WeakPolarHBondContact O-CB 3.44Å; S97-D101 PolarHBondContact O-N 3.28Å
98I58.2Low60Low97 Ų97105.6 Ų105.650%0.49755%0.55SS..Hα-helixtrans-65.6-37170.7-69.6172.7000110.6I94 T95 D101 T102I94-I98 HydrophobicContact CG2-CD1 3.63Å; I94-I98 WeakPolarHBondContact O-CB 3.37Å; I94-I98 WeakPolarHBondContact O-CD1 3.37Å; I94-I98 WeakPolarHBondContact O-CG1 3.32Å; I94-I98 PolarHBondContact O-N 3.31Å; T95-I98 PolarHBondContact O-N 3.4Å; I98-D101 PolarHBondContact O-N 3.39Å; I98-T102 WeakPolarHBondContact O-CB 3.46Å; I98-T102 PolarHBondContact O-N 3.31Å; I98-T102 PolarHBondContact O-OG1 3.32Å
99E59.1Low58.1Low129 Ų129107 Ų10760%0.60357%0.566SS**Hα-helixtrans-68.6-41.7179-139.2159.6-178.400112.1T95 T96 S97 T102 E103T95-E99 WeakPolarHBondContact O-CB 3.03Å; T95-E99 PolarHBondContact O-N 3.32Å; T96-E99 PolarHBondContact O-N 3.46Å; S97-E99 VanDerWaalsContact C-N 3.32Å; S97-E99 PolarHBondContact O-N 3.06Å; E99-T102 PolarHBondContact O-N 3.46Å; E99-E103 PolarHBondContact O-N 2.98Å; E99-E103 VanDerWaalsContact O-N 3.08Å
100N56.4Low56.4Low102 Ų102107 Ų10755%0.54557%0.571SS.*Hα-helixtrans-73-30.4173.9-76.5-9.6000113.7T96 T104T96-N100 PolarHBondContact O-N 3.48Å; N100-T104 PolarHBondContact O-N 3.4Å; N100-T104 PolarHBondContact O-OG1 3.46Å
101D54.9Low55.2Low97 Ų97111 Ų11152%0.51959%0.589SS.*Hα-helixtrans-78.6-23.5173.9-71.4-33.2000112.1S97 I98 Q105S97-D101 WeakPolarHBondContact O-CB 3.44Å; S97-D101 PolarHBondContact O-N 3.28Å; I98-D101 PolarHBondContact O-N 3.39Å; D101-Q105 PolarHBondContact O-N 3.38Å
102T54.5Low54.5Low61 Ų61112.8 Ų112.837%0.37460%0.604SS.*Hα-helixtrans-78.5-33.9173.9-48.60000111I98 E99 T104 Q106I98-T102 WeakPolarHBondContact O-CB 3.46Å; I98-T102 PolarHBondContact O-N 3.31Å; I98-T102 PolarHBondContact O-OG1 3.32Å; E99-T102 PolarHBondContact O-N 3.46Å; T102-T104 VanDerWaalsContact C-N 3.3Å; T102-T104 PolarHBondContact O-N 3.48Å; T102-Q106 PolarHBondContact O-N 3.31Å
103E53.3Low54.2Low143 Ų143117.5 Ų117.567%0.66862%0.623SS**Hα-helixtrans-67.6-29.1170.1-75.7-170.4150.900112.6E99E99-E103 PolarHBondContact O-N 2.98Å; E99-E103 VanDerWaalsContact O-N 3.08Å
104T51.1Low53.8Low99 Ų99119.1 Ų119.161%0.60764%0.637SS**Hα-helixtrans-80.4-26.6179.1-52.70000113.2N100 T102N100-T104 PolarHBondContact O-N 3.4Å; N100-T104 PolarHBondContact O-OG1 3.46Å; T102-T104 VanDerWaalsContact C-N 3.3Å; T102-T104 PolarHBondContact O-N 3.48Å
105Q53.4Low53.4Low158 Ų158123.5 Ų123.574%0.73866%0.656SS**Hα-helixtrans-93-11.7178.5-72.6-174.347.700115.2D101D101-Q105 PolarHBondContact O-N 3.38Å
106Q52.7Low53.1Low148 Ų148125.2 Ų125.269%0.69267%0.666SS**Hα-helixtrans-85.7-12.3175.3-72.6-173.5-15.700114.6T102T102-Q106 PolarHBondContact O-N 3.31Å
107N50.2Low53Low133 Ų133133.6 Ų133.671%0.71171%0.707SS**THydrogen-bonded Turntrans-97.421.8-178.5-159.335.2000115.4
108M51.7Low52.9Low164 Ų164137.8 Ų137.881%0.80873%0.725SS**THydrogen-bonded Turntrans-13320.1174.2-84.2-161.4-57.900115
109T51.8Low52.6Low123 Ų123139.9 Ų139.976%0.75574%0.737SS**SBendtrans-133.218-179.9-26.20000116.3
110N49.6Very low52.3Low125 Ų125140.6 Ų140.667%0.66875%0.745SS**SBendtrans-135.518.8176.667.6-10.8000117.3
111E50.5Low52Low186 Ų186142.8 Ų142.887%0.86976%0.756SS**SBendtrans-115.527.4167-67.7-164.714600113.8
112T53.9Low51.9Low135 Ų135145.7 Ų145.783%0.82877%0.771SS**SBendtrans-124.327.9173.7-38.30000113.6
113L54.3Low51.7Low156 Ų156151.3 Ų151.382%0.81780%0.798SS**SBendtrans-145.143.1176.1-131.8133.9000115.6
114T48.8Very low51.6Low138 Ų138151.9 Ų151.985%0.84781%0.807SS**SBendtrans-139.237.8164.548.40000113.6
115E49.1Very low51.6Low185 Ų185156 Ų15686%0.86482%0.822SS**SBendtrans-139.854.3162.6-73.1-165.4132.200111
116T48.8Very low51.5Low131 Ų131155.8 Ų155.880%0.80483%0.829SS**  trans-156.468.8158.533.40000110.7
117L56.2Low51.3Low246 Ų246156.5 Ų156.5100%1.28884%0.842SS**  trans-164.40147.6-124.7138.9000109.2

Retrieved 117 of 117 residues in 54.7 ms (Link to these results)