A0A044RMV1_ONCVO Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A044RMV1, Species ONCVO (Onchocerca volvulus), Gene n/a, Length 146 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
1M41.8Very low65.3Low203 Ų203132.2 Ų132.2100%166%0.656SS**  098.50-79.9153.158.500108.8Y3M1-Y3 HydrophobicContact CB-CE2 4.4Å; M1-Y3 HydrophobicContact CE-CE2 4.08Å
2K59.8Low65.6Low187 Ų187128.9 Ų128.981%0.81364%0.642SS**  trans-120.3104.2166.2-70.3-172.5179.1-176.70105.3E4K2-E4 PolarHBondContact O-N 3.07Å
3Y62.2Low65.5Low188 Ų188130.8 Ų130.874%0.73764%0.644SS**  trans-74.884.6175.6-67.3-84.7000107.1M1 V5M1-Y3 HydrophobicContact CB-CE2 4.4Å; M1-Y3 HydrophobicContact CE-CE2 4.08Å; Y3-V5 PolarHBondContact O-N 3.31Å
4E63.8Low65.5Low154 Ų154125.7 Ų125.772%0.7263%0.628SS**  trans-71.479.4163-60.2-62.6158.100106.1K2 P6K2-E4 PolarHBondContact O-N 3.07Å; E4-P6 WeakPolarHBondContact O-CD 3.23Å; E4-P6 VanDerWaalsContact O-N 3.11Å
5V66.8Low65.4Low81 Ų81121.9 Ų121.949%0.49161%0.614SS.*  trans-63.6112.2167.2176.90000105.2Y3 L7 L9Y3-V5 PolarHBondContact O-N 3.31Å; V5-L7 PolarHBondContact O-N 2.95Å; V5-L9 HydrophobicContact CG1-CB 3.94Å; V5-L9 HydrophobicContact CG1-CD2 3.97Å
6P71.8Confident65.3Low80 Ų80120.3 Ų120.352%0.51961%0.607SS.*  trans-60.7138.7-172.6-19.631.4000109E4 L8 L9E4-P6 WeakPolarHBondContact O-CD 3.23Å; E4-P6 VanDerWaalsContact O-N 3.11Å; P6-L8 PolarHBondContact O-N 3.02Å; P6-L9 WeakPolarHBondContact O-CA 3.23Å; P6-L9 WeakPolarHBondContact O-CB 3.29Å; P6-L9 PolarHBondContact O-N 3.42Å
7L72Confident65.2Low131 Ų131118.1 Ų118.169%0.68660%0.601SS**Hα-helixtrans-47-32.5176.4-175.867.7000112.5V5 L9 L10 L11V5-L7 PolarHBondContact O-N 2.95Å; L7-L9 PolarHBondContact O-N 3.02Å; L7-L10 WeakPolarHBondContact O-CB 3.46Å; L7-L10 PolarHBondContact O-N 3.21Å; L7-L11 HydrophobicContact CG-CD1 4.39Å; L7-L11 WeakPolarHBondContact O-CG 3.39Å; L7-L11 PolarHBondContact O-N 2.97Å
8L71.4Confident65Low123 Ų123115.1 Ų115.164%0.64460%0.597SS**Hα-helixtrans-58.7-39.7173.8-171.467.4000113.4P6 L11 L12P6-L8 PolarHBondContact O-N 3.02Å; L8-L11 PolarHBondContact O-N 2.88Å; L8-L12 HydrophobicContact CG-CD1 4.36Å; L8-L12 VanDerWaalsContact O-CG 3.28Å; L8-L12 WeakPolarHBondContact O-CG 3.44Å; L8-L12 PolarHBondContact O-N 3.39Å
9L70.3Confident64.7Low104 Ų104117.5 Ų117.555%0.54560%0.603SS.*Hα-helixtrans-69.8-36178.6-140.198000111.6V5 P6 L7 L12 F13V5-L9 HydrophobicContact CG1-CB 3.94Å; V5-L9 HydrophobicContact CG1-CD2 3.97Å; P6-L9 WeakPolarHBondContact O-CA 3.23Å; P6-L9 WeakPolarHBondContact O-CB 3.29Å; P6-L9 PolarHBondContact O-N 3.42Å; L7-L9 PolarHBondContact O-N 3.02Å; L9-L12 PolarHBondContact O-N 3.28Å; L9-F13 PolarHBondContact O-N 3.35Å
10L68.4Low64.5Low108 Ų108122.5 Ų122.557%0.56561%0.614SS**Hα-helixtrans-64.9-41.2172.5-89.3151.5000111.7L7 F13 S14L7-L10 WeakPolarHBondContact O-CB 3.46Å; L7-L10 PolarHBondContact O-N 3.21Å; L10-F13 PolarHBondContact O-N 2.96Å; L10-S14 PolarHBondContact O-N 2.82Å; L10-S14 VanDerWaalsContact O-N 3.1Å; L10-S14 PolarHBondContact O-OG 3.33Å
11L70.1Confident64.4Low95 Ų95121.3 Ų121.350%0.49762%0.617SS.*Hα-helixtrans-67.1-35.5174.7-69169.4000112.5L7 L8 S14 T15L7-L11 HydrophobicContact CG-CD1 4.39Å; L7-L11 WeakPolarHBondContact O-CG 3.39Å; L7-L11 PolarHBondContact O-N 2.97Å; L8-L11 PolarHBondContact O-N 2.88Å; L11-S14 PolarHBondContact O-OG 2.8Å; L11-T15 WeakPolarHBondContact O-CG2 3.28Å; L11-T15 PolarHBondContact O-N 2.04Å; L11-T15 VanDerWaalsContact O-N 3.16Å; L11-T15 PolarHBondContact O-OG1 2.8Å; L11-T15 VanDerWaalsContact O-OG1 3.06Å
12L68.5Low65.4Low93 Ų93117.9 Ų117.949%0.48760%0.602SS.*Hα-helixtrans-68.1-37.3174-72.3166.8000111.7L8 L9 T15 I16L8-L12 HydrophobicContact CG-CD1 4.36Å; L8-L12 VanDerWaalsContact O-CG 3.28Å; L8-L12 WeakPolarHBondContact O-CG 3.44Å; L8-L12 PolarHBondContact O-N 3.39Å; L9-L12 PolarHBondContact O-N 3.28Å; L12-T15 WeakPolarHBondContact CA-OG1 3.08Å; L12-T15 PolarHBondContact O-OG1 3.1Å; L12-I16 WeakPolarHBondContact O-CD1 3.35Å; L12-I16 VanDerWaalsContact O-CG1 3.26Å; L12-I16 WeakPolarHBondContact O-CG1 3.06Å; L12-I16 PolarHBondContact O-N 3.25Å; L12-I16 VanDerWaalsContact O-N 3.14Å
13F64.9Low65.9Low153 Ų153117.1 Ų117.167%0.67160%0.598SS**Hα-helixtrans-70.1-38.3178-144.3-95.2000112.5L9 L10 I16 T17L9-F13 PolarHBondContact O-N 3.35Å; L10-F13 PolarHBondContact O-N 2.96Å; F13-I16 PolarHBondContact O-N 2.77Å; F13-T17 PolarHBondContact O-N 2.66Å; F13-T17 PolarHBondContact O-OG1 2.89Å
14S64.7Low67Low60 Ų60114.3 Ų114.342%0.4260%0.595SS.*Hα-helixtrans-67.8-37.317765.40000112.6L10 L11 T17 A18L10-S14 PolarHBondContact O-N 2.82Å; L10-S14 VanDerWaalsContact O-N 3.1Å; L10-S14 PolarHBondContact O-OG 3.33Å; L11-S14 PolarHBondContact O-OG 2.8Å; S14-T17 PolarHBondContact O-N 3.26Å; S14-T17 PolarHBondContact O-OG1 2.86Å; S14-A18 PolarHBondContact O-N 3.42Å; S14-A18 VanDerWaalsContact O-N 3.16Å
15T63.9Low68.2Low68 Ų68108.4 Ų108.442%0.41758%0.575SS.*Hα-helixtrans-66.1-42.2174.151.70000111.8L11 L12 T17 A18 F19L11-T15 WeakPolarHBondContact O-CG2 3.28Å; L11-T15 PolarHBondContact O-N 2.04Å; L11-T15 VanDerWaalsContact O-N 3.16Å; L11-T15 PolarHBondContact O-OG1 2.8Å; L11-T15 VanDerWaalsContact O-OG1 3.06Å; L12-T15 WeakPolarHBondContact CA-OG1 3.08Å; L12-T15 PolarHBondContact O-OG1 3.1Å; T15-T17 VanDerWaalsContact C-N 3.29Å; T15-T17 PolarHBondContact O-N 2.84Å; T15-A18 PolarHBondContact O-N 2.81Å; T15-A18 VanDerWaalsContact O-N 3.09Å; T15-F19 WeakPolarHBondContact O-CD2 3.19Å; T15-F19 PolarHBondContact O-N 2.66Å; T15-F19 VanDerWaalsContact O-N 3.11Å
16I64.3Low69.5Low96 Ų96109.9 Ų109.949%0.49257%0.572SS.*Hα-helixtrans-59.4-38.4176.4-67.8164.2000111.7L12 F13L12-I16 WeakPolarHBondContact O-CD1 3.35Å; L12-I16 VanDerWaalsContact O-CG1 3.26Å; L12-I16 WeakPolarHBondContact O-CG1 3.06Å; L12-I16 PolarHBondContact O-N 3.25Å; L12-I16 VanDerWaalsContact O-N 3.14Å; F13-I16 PolarHBondContact O-N 2.77Å
17T63.2Low70.7Confident83 Ų83110.2 Ų110.251%0.50957%0.565SS.*Hα-helixtrans-68.4-36.1175.648.60000113.1F13 S14 T15 F19 R20F13-T17 PolarHBondContact O-N 2.66Å; F13-T17 PolarHBondContact O-OG1 2.89Å; S14-T17 PolarHBondContact O-N 3.26Å; S14-T17 PolarHBondContact O-OG1 2.86Å; T15-T17 VanDerWaalsContact C-N 3.29Å; T15-T17 PolarHBondContact O-N 2.84Å; T17-F19 VanDerWaalsContact C-N 3.35Å; T17-F19 PolarHBondContact O-N 3.16Å; T17-R20 PolarHBondContact O-N 2.91Å
18A62.2Low71.9Confident64 Ų64104.1 Ų104.153%0.52953%0.533SS..Hα-helixtrans-69.1-30.7178.600000113S14 T15 R20 S21S14-A18 PolarHBondContact O-N 3.42Å; S14-A18 VanDerWaalsContact O-N 3.16Å; T15-A18 PolarHBondContact O-N 2.81Å; T15-A18 VanDerWaalsContact O-N 3.09Å; A18-R20 VanDerWaalsContact C-N 3.33Å; A18-R20 PolarHBondContact O-N 3.08Å; A18-S21 PolarHBondContact O-OG 3.29Å
19F59Low73.2Confident162 Ų16298.2 Ų98.271%0.71150%0.502SS*.Hα-helixtrans-70.5-25.4177.1-90.1-83.6000113.6T15 T17 S21 L22T15-F19 WeakPolarHBondContact O-CD2 3.19Å; T15-F19 PolarHBondContact O-N 2.66Å; T15-F19 VanDerWaalsContact O-N 3.11Å; T17-F19 VanDerWaalsContact C-N 3.35Å; T17-F19 PolarHBondContact O-N 3.16Å; F19-S21 VanDerWaalsContact C-N 3.26Å; F19-S21 PolarHBondContact O-N 2.86Å; F19-L22 PolarHBondContact O-N 3.09Å
20R60.2Low74.5Confident217 Ų21793.3 Ų93.382%0.81948%0.476SS*.THydrogen-bonded Turntrans-68.7-20.1-178-71.2-171.8178.5-141.20.8114.1T17 A18T17-R20 PolarHBondContact O-N 2.91Å; A18-R20 VanDerWaalsContact C-N 3.33Å; A18-R20 PolarHBondContact O-N 3.08Å
21S63.4Low76Confident97 Ų9788.2 Ų88.268%0.67845%0.45SS*.THydrogen-bonded Turntrans-84.3-5.5-179.643.50000114.6A18 F19 K23A18-S21 PolarHBondContact O-OG 3.29Å; F19-S21 VanDerWaalsContact C-N 3.26Å; F19-S21 PolarHBondContact O-N 2.86Å; S21-K23 PolarHBondContact O-N 2.78Å; S21-K23 VanDerWaalsContact O-N 3.07Å
22L63.1Low77.4Confident132 Ų13283.7 Ų83.769%0.69143%0.426SS*.  trans-77.799.2177.2-147.972.9000109F19 I24F19-L22 PolarHBondContact O-N 3.09Å; L22-I24 PolarHBondContact O-N 3.43Å
23K70.2Confident78.8Confident170 Ų17083.4 Ų83.474%0.73942%0.421SS*.  trans-59.3113.8165.5-69.3-171.1178.7-174.50107S21 G25S21-K23 PolarHBondContact O-N 2.78Å; S21-K23 VanDerWaalsContact O-N 3.07Å; K23-G25 PolarHBondContact O-N 2.91Å
24I83.9Confident80.4Confident130 Ų13076.3 Ų76.367%0.66739%0.391SS*.SBendtrans-71.1121.2178.1-64.8173.1000107.4L22 I83L22-I24 PolarHBondContact O-N 3.43Å; I24-I83 HydrophobicContact CG2-CD1 3.36Å; I24-I83 HydrophobicContact CG2-CG1 3.53Å
25G90.6Very high82.1Confident29 Ų2975.3 Ų75.330%0.29938%0.383SS..SBendtrans98.7167.517900000115.2K23 S82K23-G25 PolarHBondContact O-N 2.91Å; G25-S82 CarbonylContact C-O 3.56Å; G25-S82 WeakPolarHBondContact CA-O 3.43Å
26R93.7Very high83.7Confident113 Ų11372.1 Ų72.143%0.42636%0.363SS..EExtended strand (participates in β ladder)trans-110141.6-179.7-65.3175-70.6161.2-3.4109.4Q28 T81 S82 E118R26-Q28 HydrophobicContact CB-CG 4.48Å; R26-T81 WeakPolarHBondContact O-CA 3.23Å; R26-S82 PolarHBondContact N-O 2.91Å; R26-S82 PolarHBondContact O-N 2.88Å; R26-E118 IonicContact CZ-OE1 3.54Å; R26-E118 IonicContact NE-OE1 3.97Å; R26-E118 IonicContact NH1-OE1 2.59Å; R26-E118 PolarHBondContact NH1-OE1 2.92Å
27K96.1Very high85.4Confident87 Ų8768.7 Ų68.738%0.37835%0.346SS..EExtended strand (participates in β ladder)trans-72.9126.6169.9-71.2171.8165.6-165.70108.7E80 G119 L120K27-E80 WeakPolarHBondContact CA-O 3.43Å; K27-G119 PolarHBondContact O-N 3Å; K27-L120 HydrophobicContact CB-CD2 4.38Å; K27-L120 HydrophobicContact CD-CD2 3.57Å; K27-L120 HydrophobicContact CD-CG 3.89Å; K27-L120 HydrophobicContact CG-CD2 4.12Å
28Q97.9Very high87Confident2 Ų266.2 Ų66.21%0.00933%0.332CS..EExtended strand (participates in β ladder)trans-135.1148.6180-65.3169.869.800109.3R26 H79 E80 S82 T84 S85 I86 V116 S117 G119R26-Q28 HydrophobicContact CB-CG 4.48Å; Q28-H79 CarbonylContact O-C 3.57Å; Q28-H79 WeakPolarHBondContact O-CA 3.35Å; Q28-H79 WeakPolarHBondContact O-CB 3.29Å; Q28-E80 PolarHBondContact N-O 2.92Å; Q28-E80 PolarHBondContact O-N 2.91Å; Q28-S82 PolarHBondContact NE2-O 3.05Å; Q28-T84 PolarHBondContact NE2-O 3.06Å; Q28-S85 VanDerWaalsContact OE1-CA 3.23Å; Q28-I86 HydrophobicContact CB-CD1 3.95Å; Q28-I86 HydrophobicContact CB-CG1 4.01Å; Q28-I86 HydrophobicContact CB-CG2 4.05Å; Q28-V116 HydrophobicContact CB-CG1 4.08Å; Q28-V116 HydrophobicContact CG-CG1 4.47Å; Q28-S117 CarbonylContact C-O 3.49Å; Q28-S117 VanDerWaalsContact CA-O 3.24Å; Q28-S117 WeakPolarHBondContact CA-O 3.04Å; Q28-G119 CarbonylContact C-O 3.57Å
29S98.6Very high88.7Confident0 Ų067.7 Ų67.70%033%0.331CS..EExtended strand (participates in β ladder)trans-140.9159-173.349.80000111.9G78 V116 S117 G119 L120 E121 P122S29-G78 VanDerWaalsContact CA-O 3.23Å; S29-G78 WeakPolarHBondContact CA-O 3.45Å; S29-G78 WeakPolarHBondContact CB-O 2.85Å; S29-V116 CarbonylContact O-C 3.55Å; S29-V116 WeakPolarHBondContact O-CA 3.46Å; S29-S117 PolarHBondContact N-O 3.46Å; S29-S117 PolarHBondContact O-N 2.58Å; S29-S117 PolarHBondContact OG-O 3Å; S29-G119 WeakPolarHBondContact CB-O 3.45Å; S29-G119 PolarHBondContact N-O 3.49Å; S29-G119 PolarHBondContact OG-O 3.1Å; S29-L120 WeakPolarHBondContact CB-O 2.98Å; S29-E121 PolarHBondContact OG-O 3.42Å; S29-P122 WeakPolarHBondContact OG-CA 3.43Å
30T98.7Very high90.5Very high0 Ų063.3 Ų63.30%033%0.332CS..EExtended strand (participates in β ladder)trans-151.8157.3175-170.20000110L50 M63 Q77 G78 I86 P88 F115T30-L50 HydrophobicContact CG2-CD1 4.15Å; T30-L50 HydrophobicContact CG2-CD2 3.95Å; T30-L50 HydrophobicContact CG2-CG 4.48Å; T30-M63 HydrophobicContact CG2-CE 3.83Å; T30-Q77 WeakPolarHBondContact O-CA 3.37Å; T30-G78 PolarHBondContact N-O 2.88Å; T30-G78 PolarHBondContact O-N 3.42Å; T30-I86 HydrophobicContact CG2-CD1 4.44Å; T30-P88 HydrophobicContact CG2-CB 3.53Å; T30-P88 HydrophobicContact CG2-CG 3.67Å; T30-F115 PolarHBondContact OG1-O 3.13Å
31A98.9Very high92.3Very high1 Ų160.4 Ų60.41%0.00833%0.325CS..EExtended strand (participates in β ladder)trans-136.2145.8173.200000110L76 Q77 P122 T125 F126A31-L76 CarbonylContact C-O 3.57Å; A31-L76 VanDerWaalsContact CA-O 3.28Å; A31-L76 WeakPolarHBondContact CA-O 2.95Å; A31-Q77 HydrophobicContact CB-CB 3.8Å; A31-P122 HydrophobicContact CB-CB 3.95Å; A31-P122 HydrophobicContact CB-CG 3.6Å; A31-T125 HydrophobicContact CB-CG2 3.93Å; A31-T125 WeakPolarHBondContact O-CA 3.37Å; A31-F126 PolarHBondContact O-N 3.11Å
32V98.9Very high94Very high0 Ų059.1 Ų59.10%032%0.315CS..EExtended strand (participates in β ladder)trans-139.8140.2177.458.20000110.3L50 F74 L75 L76 L90 I111 F126 M128V32-L50 HydrophobicContact CG1-CD1 4.31Å; V32-F74 HydrophobicContact CG1-CE2 4.4Å; V32-F74 HydrophobicContact CG2-CE2 4.22Å; V32-L75 WeakPolarHBondContact O-CA 3.36Å; V32-L76 HydrophobicContact CG1-CB 4.21Å; V32-L76 PolarHBondContact N-O 2.8Å; V32-L76 PolarHBondContact O-N 3.4Å; V32-L90 HydrophobicContact CG1-CD1 3.93Å; V32-L90 HydrophobicContact CG2-CD2 4.41Å; V32-I111 HydrophobicContact CB-CD1 3.75Å; V32-I111 HydrophobicContact CB-CG1 4.33Å; V32-I111 HydrophobicContact CG1-CD1 3.75Å; V32-I111 HydrophobicContact CG2-CD1 4.3Å; V32-I111 HydrophobicContact CG2-CG1 4.42Å; V32-F126 CarbonylContact C-O 3.37Å; V32-F126 VanDerWaalsContact CA-O 3.29Å; V32-F126 WeakPolarHBondContact CA-O 3.29Å; V32-F126 HydrophobicContact CB-CB 4.5Å; V32-F126 HydrophobicContact CG2-CB 4.48Å; V32-F126 HydrophobicContact CG2-CD1 3.88Å; V32-M128 HydrophobicContact CG2-CE 4.25Å
33K98.9Very high95.7Very high87 Ų8753.3 Ų53.338%0.37829%0.286SS..EExtended strand (participates in β ladder)trans-137.4161.2173.872.2178.2-171.4165.10110.9F74 L75 T125 F126 D127 M128K33-F74 VanDerWaalsContact CA-O 3.24Å; K33-F74 WeakPolarHBondContact CA-O 3.48Å; K33-F74 WeakPolarHBondContact CB-O 3.32Å; K33-L75 HydrophobicContact CB-CB 4.28Å; K33-L75 HydrophobicContact CB-CD1 3.84Å; K33-T125 HydrophobicContact CB-CG2 4.01Å; K33-T125 HydrophobicContact CD-CG2 4.05Å; K33-T125 HydrophobicContact CG-CG2 3.78Å; K33-F126 PolarHBondContact N-O 2.03Å; K33-D127 WeakPolarHBondContact CE-OD2 3.22Å; K33-D127 HydrophobicContact CG-CB 4.27Å; K33-D127 IonicContact NZ-OD2 2.57Å; K33-D127 PolarHBondContact NZ-OD2 2.77Å; K33-D127 VanDerWaalsContact NZ-OD2 3.09Å; K33-M128 WeakPolarHBondContact O-CG 3.12Å; K33-M128 PolarHBondContact O-N 3.26Å
34G98.8Very high97Very high4 Ų448.5 Ų48.54%0.04127%0.27CS..EExtended strand (participates in β ladder)trans-178.2-177.3174.300000113R73 F74 G129G34-R73 VanDerWaalsContact O-CA 3.31Å; G34-R73 WeakPolarHBondContact O-CA 3.43Å; G34-F74 PolarHBondContact N-O 2.96Å; G34-F74 VanDerWaalsContact N-O 3.14Å; G34-F74 WeakPolarHBondContact O-CD1 3.47Å; G34-F74 PolarHBondContact O-N 3.42Å; G34-G129 WeakPolarHBondContact CA-O 3.44Å
35V98.9Very high97.6Very high40 Ų4047.8 Ų47.824%0.24227%0.268CS..EExtended strand (participates in β ladder)trans-122.8126.5174.2-169.40000108.9E71 G72 R73 G129 T130 L131V35-E71 WeakPolarHBondContact CG1-O 3.31Å; V35-G72 CarbonylContact C-O 3.58Å; V35-G72 WeakPolarHBondContact CA-O 3.44Å; V35-R73 HydrophobicContact CG2-CG 4.06Å; V35-G129 PolarHBondContact N-O 2.65Å; V35-T130 HydrophobicContact CB-CG2 4.33Å; V35-T130 CarbonylContact O-C 3.58Å; V35-T130 VanDerWaalsContact O-CA 3.29Å; V35-T130 WeakPolarHBondContact O-CA 3.47Å; V35-L131 PolarHBondContact O-N 3.3Å
36L98.8Very high98Very high0 Ų046.7 Ų46.70%026%0.255CS..EExtended strand (participates in β ladder)trans-103.6136.5175.1-55.2-177.2000110A43 V46 V48 T68 G72 F74 L92 M128 L131 L133L36-A43 HydrophobicContact CB-CB 4.05Å; L36-A43 PolarHBondContact O-N 2.89Å; L36-V46 HydrophobicContact CD1-CB 4Å; L36-V46 HydrophobicContact CD1-CG1 3.56Å; L36-V48 HydrophobicContact CD1-CG1 4.13Å; L36-T68 HydrophobicContact CB-CG2 4.18Å; L36-T68 HydrophobicContact CD1-CG2 3.72Å; L36-T68 HydrophobicContact CG-CG2 3.99Å; L36-G72 PolarHBondContact N-O 2.89Å; L36-F74 HydrophobicContact CD1-CD1 4.35Å; L36-F74 HydrophobicContact CD1-CE1 4.37Å; L36-F74 HydrophobicContact CD2-CE1 4.02Å; L36-F74 HydrophobicContact CG-CD1 4.1Å; L36-F74 HydrophobicContact CG-CE1 3.98Å; L36-L92 HydrophobicContact CD1-CD1 4.42Å; L36-L92 HydrophobicContact CD1-CD2 3.81Å; L36-L92 HydrophobicContact CD2-CD1 4.18Å; L36-M128 HydrophobicContact CD2-SD 4.3Å; L36-L131 WeakPolarHBondContact CA-O 3.44Å; L36-L131 HydrophobicContact CD2-CB 3.89Å; L36-L131 HydrophobicContact CD2-CD2 4.24Å; L36-L133 HydrophobicContact CB-CD1 4.1Å; L36-L133 HydrophobicContact CB-CG 4.37Å; L36-L133 HydrophobicContact CD1-CD1 4.31Å; L36-L133 HydrophobicContact CD2-CD2 4.33Å
37T98.8Very high98.2Very high24 Ų2444.4 Ų44.415%0.14725%0.249CC..EExtended strand (participates in β ladder)trans-125.9156.6175.760.30000110.4K41 T130 L131 N132 L133T37-K41 CarbonylContact C-O 3.41Å; T37-K41 WeakPolarHBondContact CA-O 3.41Å; T37-K41 VanDerWaalsContact CB-O 3.29Å; T37-K41 WeakPolarHBondContact CB-O 3.1Å; T37-T130 HydrophobicContact CG2-CG2 3.79Å; T37-L131 PolarHBondContact N-O 3.36Å; T37-L131 PolarHBondContact OG1-O 3.03Å; T37-N132 WeakPolarHBondContact OG1-CA 3.26Å; T37-L133 WeakPolarHBondContact O-CB 3.35Å; T37-L133 WeakPolarHBondContact O-CG 3.04Å; T37-L133 PolarHBondContact O-N 3.28Å
38C98.4Very high98.3Very high32 Ų3240.3 Ų40.322%0.21623%0.23CC..EExtended strand (participates in β ladder)trans-128.9110.6169.7179.90000107.3G40 K41 A43 C96C38-G40 VanDerWaalsContact C-N 3.31Å; C38-G40 PolarHBondContact O-N 3.43Å; C38-K41 PolarHBondContact N-O 3.43Å; C38-K41 PolarHBondContact O-N 2.94Å; C38-K41 VanDerWaalsContact O-N 3.09Å; C38-A43 HydrophobicContact CB-CB 4.24Å; C38-C96 WeakPolarHBondContact CA-SG 3.49Å; C38-C96 HydrophobicContact CB-CB 3.8Å; C38-C96 WeakPolarHBondContact CB-SG 3.03Å; C38-C96 WeakPolarHBondContact SG-CA 3.49Å; C38-C96 WeakPolarHBondContact SG-CB 3.35Å; C38-C96 CovalentContact SG-SG 2.03Å; C38-C96 PolarHBondContact SG-SG 2.99Å
39N97.2Very high98.3Very high95 Ų9541.6 Ų41.651%0.50824%0.236SC..THydrogen-bonded Turntrans51.847.1178-58.7-35000113.4K41 D97 N132N39-K41 VanDerWaalsContact C-N 3.32Å; N39-K41 PolarHBondContact O-N 2.88Å; N39-D97 PolarHBondContact ND2-OD1 3.28Å; N39-N132 PolarHBondContact N-OD1 2.89Å; N39-N132 VanDerWaalsContact N-OD1 3.13Å
40G96.1Very high98.3Very high70 Ų7041.6 Ų41.672%0.72224%0.236SC*.THydrogen-bonded Turntrans82-0.2177.100000115.5C38C38-G40 VanDerWaalsContact C-N 3.31Å; C38-G40 PolarHBondContact O-N 3.43Å
41K98.6Very high98.2Very high156 Ų15642.8 Ų42.868%0.67824%0.241SC*.EExtended strand (participates in β ladder)trans-108.3149.2174.2-63.4-180-178.1177.30110.9T37 C38 N39 A43T37-K41 CarbonylContact C-O 3.41Å; T37-K41 WeakPolarHBondContact CA-O 3.41Å; T37-K41 VanDerWaalsContact CB-O 3.29Å; T37-K41 WeakPolarHBondContact CB-O 3.1Å; C38-K41 PolarHBondContact N-O 3.43Å; C38-K41 PolarHBondContact O-N 2.94Å; C38-K41 VanDerWaalsContact O-N 3.09Å; N39-K41 VanDerWaalsContact C-N 3.32Å; N39-K41 PolarHBondContact O-N 2.88Å; K41-A43 PolarHBondContact O-N 3.14Å
42P98.7Very high98Very high70 Ų7042.9 Ų42.946%0.45524%0.241SC..EExtended strand (participates in β ladder)trans-52.4128.4170.3-27.736.4000111.8V44P42-V44 HydrophobicContact CB-CG2 4.31Å; P42-V44 PolarHBondContact O-N 2.98Å
43A98.4Very high97.6Very high10 Ų1043.3 Ų43.38%0.08324%0.244CC..  trans-87.592.7174.900000108.4L36 C38 K41 V46 T68 L133L36-A43 HydrophobicContact CB-CB 4.05Å; L36-A43 PolarHBondContact O-N 2.89Å; C38-A43 HydrophobicContact CB-CB 4.24Å; K41-A43 PolarHBondContact O-N 3.14Å; A43-V46 HydrophobicContact CB-CG2 3.67Å; A43-T68 WeakPolarHBondContact O-CB 3.45Å; A43-T68 PolarHBondContact O-OG1 2.9Å; A43-L133 HydrophobicContact CB-CD1 3.83Å
44V98.1Very high96.8Very high68 Ų6840.7 Ų40.741%0.41224%0.236SC..THydrogen-bonded Turntrans-81.4146.5-175.8-176.20000110.9P42 V46P42-V44 HydrophobicContact CB-CG2 4.31Å; P42-V44 PolarHBondContact O-N 2.98Å; V44-V46 PolarHBondContact O-N 2.86Å
45N97.5Very high95.7Very high115 Ų11547.1 Ų47.162%0.61527%0.265SS*.THydrogen-bonded Turntrans61.220.3177.2-68.4-42.6000115.4K47 T68N45-K47 PolarHBondContact O-N 2.88Å; N45-T68 PolarHBondContact N-O 3.05Å; N45-T68 PolarHBondContact N-OG1 2.87Å; N45-T68 VanDerWaalsContact N-OG1 3.1Å
46V98Very high94.2Very high7 Ų746.9 Ų46.94%0.04227%0.27CS..  trans-67.6125.8171.8174.70000108.4L36 A43 V44 V48 K67 T68 Y93 H94 L133L36-V46 HydrophobicContact CD1-CB 4Å; L36-V46 HydrophobicContact CD1-CG1 3.56Å; A43-V46 HydrophobicContact CB-CG2 3.67Å; V44-V46 PolarHBondContact O-N 2.86Å; V46-V48 HydrophobicContact CG1-CG1 4.36Å; V46-K67 CarbonylContact O-C 3.53Å; V46-K67 VanDerWaalsContact O-CA 3.22Å; V46-K67 WeakPolarHBondContact O-CA 3.22Å; V46-T68 HydrophobicContact CB-CG2 4.04Å; V46-T68 WeakPolarHBondContact CB-OG1 3.34Å; V46-T68 PolarHBondContact N-OG1 2.83Å; V46-T68 PolarHBondContact O-N 3Å; V46-Y93 WeakPolarHBondContact CG1-O 3.3Å; V46-H94 HydrophobicContact CG1-CB 4Å; V46-H94 HydrophobicContact CG2-CB 4.19Å; V46-L133 HydrophobicContact CG1-CD1 4.3Å; V46-L133 HydrophobicContact CG2-CD1 3.87Å
47K97.9Very high92.5Very high65 Ų6556 Ų5628%0.28331%0.305SS..EExtended strand (participates in β ladder)trans-77.4130.4179.2175.2-177.8179.1-172.60109.2N45 Y93N45-K47 PolarHBondContact O-N 2.88Å; K47-Y93 HydrophobicContact CB-CD2 4.43Å; K47-Y93 HydrophobicContact CD-CD2 4.25Å; K47-Y93 HydrophobicContact CG-CD2 4.06Å; K47-Y93 PolarHBondContact N-O 3.12Å; K47-Y93 PolarHBondContact O-N 3.22Å
48V98.5Very high90.8Very high0 Ų065.6 Ų65.60%034%0.34CS..EExtended strand (participates in β ladder)trans-127.4138-179.2-59.10000109L36 V46 E65 G66 F74 L76 L90 K91 L92L36-V48 HydrophobicContact CD1-CG1 4.13Å; V46-V48 HydrophobicContact CG1-CG1 4.36Å; V48-E65 WeakPolarHBondContact O-CA 3.48Å; V48-G66 WeakPolarHBondContact CG2-O 3.04Å; V48-G66 PolarHBondContact N-O 3.43Å; V48-G66 PolarHBondContact O-N 3.47Å; V48-F74 HydrophobicContact CG1-CD1 4.44Å; V48-F74 HydrophobicContact CG1-CG 4.27Å; V48-F74 HydrophobicContact CG2-CB 3.98Å; V48-F74 HydrophobicContact CG2-CD2 4.11Å; V48-F74 HydrophobicContact CG2-CG 4.14Å; V48-L76 HydrophobicContact CB-CD1 4.27Å; V48-L76 HydrophobicContact CG2-CD1 3.86Å; V48-L76 HydrophobicContact CG2-CD2 4.15Å; V48-L76 HydrophobicContact CG2-CG 4.05Å; V48-L90 HydrophobicContact CB-CD1 4.31Å; V48-K91 CarbonylContact C-O 3.52Å; V48-K91 WeakPolarHBondContact CA-O 3.29Å; V48-L92 HydrophobicContact CB-CD2 4.03Å; V48-L92 HydrophobicContact CG1-CD2 3.27Å
49K98Very high89.2Confident29 Ų2967.8 Ų67.813%0.12635%0.352CS..EExtended strand (participates in β ladder)trans-138.3135-178.7-65.8-164.3175.6-131.10111.2Y51 E65 L90 K91 Y93K49-Y51 HydrophobicContact CB-CD2 4Å; K49-Y51 HydrophobicContact CB-CE2 3.34Å; K49-Y51 HydrophobicContact CD-CE2 3.77Å; K49-Y51 WeakPolarHBondContact CD-OH 3.48Å; K49-Y51 HydrophobicContact CG-CE2 4.24Å; K49-E65 HydrophobicContact CB-CB 4.48Å; K49-E65 WeakPolarHBondContact CE-OE2 3.42Å; K49-E65 HydrophobicContact CG-CB 3.84Å; K49-E65 IonicContact NZ-OE2 2.72Å; K49-E65 PolarHBondContact NZ-OE2 2.97Å; K49-L90 CarbonylContact O-C 3.54Å; K49-L90 WeakPolarHBondContact O-CA 3.4Å; K49-K91 HydrophobicContact CB-CB 4.46Å; K49-K91 PolarHBondContact N-O 2.96Å; K49-K91 PolarHBondContact O-N 2.85Å; K49-Y93 HydrophobicContact CB-CE2 4.27Å; K49-Y93 HydrophobicContact CD-CE2 4.02Å; K49-Y93 HydrophobicContact CG-CE2 3.96Å
50L98.2Very high88.1Confident0 Ų065.8 Ų65.80%034%0.34CS..EExtended strand (participates in β ladder)trans-102.8126.4177.7179.661.9000109.1T30 V32 M63 D64 L76 P88 I111T30-L50 HydrophobicContact CG2-CD1 4.15Å; T30-L50 HydrophobicContact CG2-CD2 3.95Å; T30-L50 HydrophobicContact CG2-CG 4.48Å; V32-L50 HydrophobicContact CG1-CD1 4.31Å; L50-M63 HydrophobicContact CD1-CE 3.89Å; L50-M63 HydrophobicContact CD2-CB 4.38Å; L50-M63 HydrophobicContact CD2-CE 4.05Å; L50-M63 HydrophobicContact CG-CB 4.2Å; L50-M63 HydrophobicContact CG-CE 3.58Å; L50-M63 PolarHBondContact O-N 3.04Å; L50-D64 HydrophobicContact CB-CB 4.21Å; L50-D64 HydrophobicContact CD2-CB 4.38Å; L50-D64 PolarHBondContact N-O 3.09Å; L50-D64 PolarHBondContact O-N 3.44Å; L50-L76 HydrophobicContact CB-CB 4.29Å; L50-L76 HydrophobicContact CB-CD1 3.84Å; L50-L76 HydrophobicContact CD2-CB 4.38Å; L50-P88 HydrophobicContact CD1-CB 4.28Å; L50-I111 HydrophobicContact CD1-CD1 3.37Å
51Y96.6Very high87.6Confident26 Ų2665.6 Ų65.610%0.10232%0.322CS..EExtended strand (participates in β ladder)trans-127.4156.2-179.8-66.6-90.5000111.4K49 E60 N61 M63 P88 I89 K91K49-Y51 HydrophobicContact CB-CD2 4Å; K49-Y51 HydrophobicContact CB-CE2 3.34Å; K49-Y51 HydrophobicContact CD-CE2 3.77Å; K49-Y51 WeakPolarHBondContact CD-OH 3.48Å; K49-Y51 HydrophobicContact CG-CE2 4.24Å; Y51-E60 HydrophobicContact CD1-CB 3.54Å; Y51-E60 HydrophobicContact CE1-CB 4.15Å; Y51-E60 HydrophobicContact CG-CB 3.97Å; Y51-N61 CarbonylContact C-O 3.56Å; Y51-N61 VanDerWaalsContact CA-O 3.24Å; Y51-N61 WeakPolarHBondContact CA-O 3.17Å; Y51-M63 VanDerWaalsContact C-CE 3.43Å; Y51-M63 VanDerWaalsContact O-CE 3.26Å; Y51-M63 WeakPolarHBondContact O-CE 3.38Å; Y51-P88 CarbonylContact O-C 3.57Å; Y51-P88 VanDerWaalsContact O-CA 3.3Å; Y51-P88 WeakPolarHBondContact O-CA 3.45Å; Y51-I89 PolarHBondContact N-O 2.8Å; Y51-I89 PolarHBondContact O-N 3.3Å; Y51-K91 HydrophobicContact CD2-CB 4.37Å; Y51-K91 HydrophobicContact CD2-CD 3.97Å; Y51-K91 HydrophobicContact CD2-CG 4.01Å; Y51-K91 HydrophobicContact CE2-CB 4.17Å; Y51-K91 HydrophobicContact CE2-CD 3.74Å; Y51-K91 HydrophobicContact CE2-CG 4.08Å
52N95Very high87.4Confident3 Ų361.5 Ų61.52%0.01631%0.313CS..EExtended strand (participates in β ladder)trans-99.4126.6161.7171.333.6000109.4S54 N61 M63 I86 D87N52-S54 PolarHBondContact ND2-OG 2.82Å; N52-S54 VanDerWaalsContact OD1-CB 3.3Å; N52-S54 WeakPolarHBondContact OD1-CB 3.46Å; N52-S54 PolarHBondContact OD1-N 2.88Å; N52-S54 PolarHBondContact OD1-OG 2.77Å; N52-N61 HydrophobicContact CB-CB 4.44Å; N52-N61 PolarHBondContact N-O 3.28Å; N52-N61 PolarHBondContact O-N 2.59Å; N52-M63 HydrophobicContact CB-CE 4.23Å; N52-M63 HydrophobicContact CB-CG 4.37Å; N52-M63 HydrophobicContact CB-SD 3.95Å; N52-I86 HydrophobicContact CB-CB 4.43Å; N52-I86 WeakPolarHBondContact OD1-CA 3.05Å; N52-I86 WeakPolarHBondContact OD1-CB 3.28Å; N52-D87 PolarHBondContact OD1-N 2.94Å
53D90.7Very high87.3Confident9 Ų959.5 Ų59.55%0.04830%0.298CS..  trans-108.418.5-179-163.840.8000113.8Q55 G56 R57 D87 I89D53-Q55 PolarHBondContact O-N 3.03Å; D53-G56 WeakPolarHBondContact O-CA 3.46Å; D53-G56 PolarHBondContact O-N 3.23Å; D53-R57 WeakPolarHBondContact OD1-CA 3.07Å; D53-R57 PolarHBondContact OD1-N 3.38Å; D53-R57 VanDerWaalsContact OD2-CA 3.24Å; D53-R57 WeakPolarHBondContact OD2-CA 3.25Å; D53-R57 WeakPolarHBondContact OD2-CG 3.35Å; D53-R57 PolarHBondContact OD2-N 3.49Å; D53-R57 VanDerWaalsContact OD2-N 3.16Å; D53-D87 PolarHBondContact N-O 2.81Å; D53-I89 HydrophobicContact CB-CD1 4.1Å; D53-I89 HydrophobicContact CB-CG1 4.44Å; D53-I89 HydrophobicContact CB-CG2 3.95Å
54S82Confident87.3Confident31 Ų3161.4 Ų61.422%0.21731%0.307CS..THydrogen-bonded Turntrans-61.8-13.1-173.466.80000115.4N52 S85N52-S54 PolarHBondContact ND2-OG 2.82Å; N52-S54 VanDerWaalsContact OD1-CB 3.3Å; N52-S54 WeakPolarHBondContact OD1-CB 3.46Å; N52-S54 PolarHBondContact OD1-N 2.88Å; N52-S54 PolarHBondContact OD1-OG 2.77Å; S54-S85 WeakPolarHBondContact CB-O 3.35Å
55Q75.5Confident87.3Confident140 Ų14063.2 Ų63.265%0.65431%0.311SS*.THydrogen-bonded Turntrans-968174.9-58.2-63.7-10.100112.5D53 V59D53-Q55 PolarHBondContact O-N 3.03Å; Q55-V59 HydrophobicContact CB-CB 4.15Å; Q55-V59 HydrophobicContact CB-CG1 4.5Å
56G67.1Low87.4Confident34 Ų3459 Ų5935%0.35130%0.295SS..  trans89.9153.1-173.900000112.8D53 Y58 V59D53-G56 WeakPolarHBondContact O-CA 3.46Å; D53-G56 PolarHBondContact O-N 3.23Å; G56-Y58 PolarHBondContact O-N 3.36Å; G56-V59 PolarHBondContact O-N 2.57Å
57R63.1Low87.4Confident191 Ų19165.2 Ų65.272%0.72132%0.321SS*.THydrogen-bonded Turntrans-45.2-0.2-173.9-73.6-167.9-73.3-1560.2119.2D53D53-R57 WeakPolarHBondContact OD1-CA 3.07Å; D53-R57 PolarHBondContact OD1-N 3.38Å; D53-R57 VanDerWaalsContact OD2-CA 3.24Å; D53-R57 WeakPolarHBondContact OD2-CA 3.25Å; D53-R57 WeakPolarHBondContact OD2-CG 3.35Å; D53-R57 PolarHBondContact OD2-N 3.49Å; D53-R57 VanDerWaalsContact OD2-N 3.16Å
58Y63.9Low87.5Confident226 Ų22662.2 Ų62.289%0.88631%0.308SS*.THydrogen-bonded Turntrans-105.7-21.9179.4-59.5-75.9000113.1G56G56-Y58 PolarHBondContact O-N 3.36Å
59V63.8Low87.5Confident79 Ų7964.8 Ų64.848%0.47932%0.322SS..  trans-122.895.2-178-175.70000109Q55 G56Q55-V59 HydrophobicContact CB-CB 4.15Å; Q55-V59 HydrophobicContact CB-CG1 4.5Å; G56-V59 PolarHBondContact O-N 2.57Å
60E73.5Confident87.5Confident53 Ų5367.8 Ų67.825%0.24835%0.346CS..  trans-105.1114.1-176.2-63.5171.9172.200110.4Y51 S62 I89 K91Y51-E60 HydrophobicContact CD1-CB 3.54Å; Y51-E60 HydrophobicContact CE1-CB 4.15Å; Y51-E60 HydrophobicContact CG-CB 3.97Å; E60-S62 PolarHBondContact O-N 2.83Å; E60-I89 HydrophobicContact CG-CD1 4.16Å; E60-K91 WeakPolarHBondContact OE1-CE 3.09Å; E60-K91 IonicContact OE1-NZ 3.86Å; E60-K91 PolarHBondContact OE1-NZ 2.67Å; E60-K91 WeakPolarHBondContact OE2-CE 3.26Å; E60-K91 IonicContact OE2-NZ 2.65Å; E60-K91 PolarHBondContact OE2-NZ 2.85Å
61N87Confident87.5Confident65 Ų6572.9 Ų72.935%0.34837%0.37SS..EExtended strand (participates in β ladder)trans-82.8117.8173.7-71.90.4000109.2Y51 N52 M63 E80Y51-N61 CarbonylContact C-O 3.56Å; Y51-N61 VanDerWaalsContact CA-O 3.24Å; Y51-N61 WeakPolarHBondContact CA-O 3.17Å; N52-N61 HydrophobicContact CB-CB 4.44Å; N52-N61 PolarHBondContact N-O 3.28Å; N52-N61 PolarHBondContact O-N 2.59Å; N61-M63 PolarHBondContact O-N 3.25Å; N61-E80 PolarHBondContact ND2-OE2 3Å
62S93.8Very high87.6Confident71 Ų7171.6 Ų71.650%0.49737%0.365SS..EExtended strand (participates in β ladder)trans-65.3126.4176.6-169.90000110.2E60E60-S62 PolarHBondContact O-N 2.83Å
63M97Very high87.8Confident27 Ų2776.4 Ų76.413%0.13338%0.383CS..EExtended strand (participates in β ladder)trans-106.1-40.7177.2-64.3-168.1-67.400112.2T30 L50 Y51 N52 N61 E80 I86 P88T30-M63 HydrophobicContact CG2-CE 3.83Å; L50-M63 HydrophobicContact CD1-CE 3.89Å; L50-M63 HydrophobicContact CD2-CB 4.38Å; L50-M63 HydrophobicContact CD2-CE 4.05Å; L50-M63 HydrophobicContact CG-CB 4.2Å; L50-M63 HydrophobicContact CG-CE 3.58Å; L50-M63 PolarHBondContact O-N 3.04Å; Y51-M63 VanDerWaalsContact C-CE 3.43Å; Y51-M63 VanDerWaalsContact O-CE 3.26Å; Y51-M63 WeakPolarHBondContact O-CE 3.38Å; N52-M63 HydrophobicContact CB-CE 4.23Å; N52-M63 HydrophobicContact CB-CG 4.37Å; N52-M63 HydrophobicContact CB-SD 3.95Å; N61-M63 PolarHBondContact O-N 3.25Å; M63-E80 HydrophobicContact SD-CB 4.34Å; M63-I86 HydrophobicContact SD-CD1 4.41Å; M63-P88 HydrophobicContact CE-CB 4Å
64D98.3Very high88.2Confident50 Ų5076.5 Ų76.527%0.26738%0.383SS..EExtended strand (participates in β ladder)trans-159.5158.4179.4-167.217000111.1L50 L76 Q77L50-D64 HydrophobicContact CB-CB 4.21Å; L50-D64 HydrophobicContact CD2-CB 4.38Å; L50-D64 PolarHBondContact N-O 3.09Å; L50-D64 PolarHBondContact O-N 3.44Å; D64-L76 HydrophobicContact CB-CB 4.33Å; D64-L76 VanDerWaalsContact OD2-CA 3.27Å; D64-L76 WeakPolarHBondContact OD2-CA 3.43Å; D64-L76 WeakPolarHBondContact OD2-CB 3.15Å; D64-L76 WeakPolarHBondContact OD2-CD2 3.41Å; D64-Q77 VanDerWaalsContact CB-O 3.28Å; D64-Q77 WeakPolarHBondContact CB-O 3.49Å; D64-Q77 VanDerWaalsContact CG-O 3.32Å; D64-Q77 PolarHBondContact OD2-N 2.87Å; D64-Q77 VanDerWaalsContact OD2-O 3.08Å
65E98.4Very high89Confident107 Ų10780.3 Ų80.350%0.540%0.4SS..EExtended strand (participates in β ladder)trans-148.2153.4173.964.9171.3-140.900112.9V48 K49V48-E65 WeakPolarHBondContact O-CA 3.48Å; K49-E65 HydrophobicContact CB-CB 4.48Å; K49-E65 WeakPolarHBondContact CE-OE2 3.42Å; K49-E65 HydrophobicContact CG-CB 3.84Å; K49-E65 IonicContact NZ-OE2 2.72Å; K49-E65 PolarHBondContact NZ-OE2 2.97Å
66G98.5Very high90.1Very high26 Ų2673.9 Ų73.927%0.26837%0.37SS..EExtended strand (participates in β ladder)trans-164-172-179.500000112.9V48V48-G66 WeakPolarHBondContact CG2-O 3.04Å; V48-G66 PolarHBondContact N-O 3.43Å; V48-G66 PolarHBondContact O-N 3.47Å
67K98.7Very high91.6Very high137 Ų13776.8 Ų76.860%0.59638%0.375SS*.EExtended strand (participates in β ladder)trans-132.7150.9174.3-68.4-176.8-177.6178.10110.3V46V46-K67 CarbonylContact O-C 3.53Å; V46-K67 VanDerWaalsContact O-CA 3.22Å; V46-K67 WeakPolarHBondContact O-CA 3.22Å
68T98.9Very high93.3Very high2 Ų268.1 Ų68.11%0.01235%0.345CS..  trans-66.2142.1171.952.50000112.1L36 A43 N45 V46 G72 R73 F74L36-T68 HydrophobicContact CB-CG2 4.18Å; L36-T68 HydrophobicContact CD1-CG2 3.72Å; L36-T68 HydrophobicContact CG-CG2 3.99Å; A43-T68 WeakPolarHBondContact O-CB 3.45Å; A43-T68 PolarHBondContact O-OG1 2.9Å; N45-T68 PolarHBondContact N-O 3.05Å; N45-T68 PolarHBondContact N-OG1 2.87Å; N45-T68 VanDerWaalsContact N-OG1 3.1Å; V46-T68 HydrophobicContact CB-CG2 4.04Å; V46-T68 WeakPolarHBondContact CB-OG1 3.34Å; V46-T68 PolarHBondContact N-OG1 2.83Å; V46-T68 PolarHBondContact O-N 3Å; T68-G72 VanDerWaalsContact CG2-O 3.28Å; T68-G72 WeakPolarHBondContact CG2-O 3.45Å; T68-R73 CarbonylContact C-O 3.52Å; T68-R73 WeakPolarHBondContact CA-O 3.27Å; T68-F74 HydrophobicContact CG2-CB 4.09Å; T68-F74 HydrophobicContact CG2-CD1 4.06Å; T68-F74 HydrophobicContact CG2-CG 4.5Å
69D98.8Very high94.9Very high55 Ų5561.6 Ų61.629%0.29432%0.322SS..  trans-76.5-173177.773.49.7000112.9E71 G72 R73D69-E71 PolarHBondContact O-N 2.98Å; D69-E71 VanDerWaalsContact O-N 3.16Å; D69-E71 VanDerWaalsContact OD1-C 3.31Å; D69-E71 WeakPolarHBondContact OD1-CA 3.24Å; D69-E71 PolarHBondContact OD1-N 2.9Å; D69-G72 PolarHBondContact O-N 2.87Å; D69-G72 PolarHBondContact OD1-N 2.87Å; D69-G72 VanDerWaalsContact OD1-N 3.08Å; D69-R73 PolarHBondContact N-O 2.97Å; D69-R73 PolarHBondContact OD1-N 2.81Å; D69-R73 IonicContact OD1-NE 2.91Å; D69-R73 IonicContact OD1-NH2 3.94Å; D69-R73 IonicContact OD2-CZ 3.25Å; D69-R73 VanDerWaalsContact OD2-CZ 3.25Å; D69-R73 IonicContact OD2-NE 3.09Å; D69-R73 PolarHBondContact OD2-NE 2.84Å; D69-R73 IonicContact OD2-NH2 2.8Å; D69-R73 PolarHBondContact OD2-NH2 2.82Å
70S98.6Very high96.4Very high91 Ų9160.3 Ų60.364%0.63631%0.311SS*.THydrogen-bonded Turntrans-61.8-18.4178.854.70000114.5
71E98.7Very high97.3Very high107 Ų10760.7 Ų60.750%0.532%0.317SS..THydrogen-bonded Turntrans-105.912.1176.7-64.5-176.982.300111.5V35 D69 R73V35-E71 WeakPolarHBondContact CG1-O 3.31Å; D69-E71 PolarHBondContact O-N 2.98Å; D69-E71 VanDerWaalsContact O-N 3.16Å; D69-E71 VanDerWaalsContact OD1-C 3.31Å; D69-E71 WeakPolarHBondContact OD1-CA 3.24Å; D69-E71 PolarHBondContact OD1-N 2.9Å; E71-R73 HydrophobicContact CB-CG 4.37Å; E71-R73 PolarHBondContact O-N 3.07Å; E71-R73 IonicContact OE1-NH1 3.26Å; E71-R73 PolarHBondContact OE1-NH1 2.67Å; E71-R73 IonicContact OE2-CZ 3.05Å; E71-R73 IonicContact OE2-NH1 2.66Å; E71-R73 PolarHBondContact OE2-NH1 3.15Å; E71-R73 IonicContact OE2-NH2 2.66Å; E71-R73 PolarHBondContact OE2-NH2 3.37Å
72G98.8Very high97.4Very high0 Ų058.2 Ų58.20%031%0.305CS..SBendtrans76.88.6177.600000113.6V35 L36 T68 D69V35-G72 CarbonylContact C-O 3.58Å; V35-G72 WeakPolarHBondContact CA-O 3.44Å; L36-G72 PolarHBondContact N-O 2.89Å; T68-G72 VanDerWaalsContact CG2-O 3.28Å; T68-G72 WeakPolarHBondContact CG2-O 3.45Å; D69-G72 PolarHBondContact O-N 2.87Å; D69-G72 PolarHBondContact OD1-N 2.87Å; D69-G72 VanDerWaalsContact OD1-N 3.08Å
73R98.9Very high97.3Very high103 Ų10360.3 Ų60.339%0.38931%0.309SS..EExtended strand (participates in β ladder)trans-83.7146.8-176.4-57.3-177.9-70-107.1-9.2111.7G34 V35 T68 D69 E71G34-R73 VanDerWaalsContact O-CA 3.31Å; G34-R73 WeakPolarHBondContact O-CA 3.43Å; V35-R73 HydrophobicContact CG2-CG 4.06Å; T68-R73 CarbonylContact C-O 3.52Å; T68-R73 WeakPolarHBondContact CA-O 3.27Å; D69-R73 PolarHBondContact N-O 2.97Å; D69-R73 PolarHBondContact OD1-N 2.81Å; D69-R73 IonicContact OD1-NE 2.91Å; D69-R73 IonicContact OD1-NH2 3.94Å; D69-R73 IonicContact OD2-CZ 3.25Å; D69-R73 VanDerWaalsContact OD2-CZ 3.25Å; D69-R73 IonicContact OD2-NE 3.09Å; D69-R73 PolarHBondContact OD2-NE 2.84Å; D69-R73 IonicContact OD2-NH2 2.8Å; D69-R73 PolarHBondContact OD2-NH2 2.82Å; E71-R73 HydrophobicContact CB-CG 4.37Å; E71-R73 PolarHBondContact O-N 3.07Å; E71-R73 IonicContact OE1-NH1 3.26Å; E71-R73 PolarHBondContact OE1-NH1 2.67Å; E71-R73 IonicContact OE2-CZ 3.05Å; E71-R73 IonicContact OE2-NH1 2.66Å; E71-R73 PolarHBondContact OE2-NH1 3.15Å; E71-R73 IonicContact OE2-NH2 2.66Å; E71-R73 PolarHBondContact OE2-NH2 3.37Å
74F98.8Very high97Very high12 Ų1262.5 Ų62.55%0.05332%0.324CS..EExtended strand (participates in β ladder)trans-137.8156.9167.170.4-84.4000110.7V32 K33 G34 L36 V48 T68 L90 M128V32-F74 HydrophobicContact CG1-CE2 4.4Å; V32-F74 HydrophobicContact CG2-CE2 4.22Å; K33-F74 VanDerWaalsContact CA-O 3.24Å; K33-F74 WeakPolarHBondContact CA-O 3.48Å; K33-F74 WeakPolarHBondContact CB-O 3.32Å; G34-F74 PolarHBondContact N-O 2.96Å; G34-F74 VanDerWaalsContact N-O 3.14Å; G34-F74 WeakPolarHBondContact O-CD1 3.47Å; G34-F74 PolarHBondContact O-N 3.42Å; L36-F74 HydrophobicContact CD1-CD1 4.35Å; L36-F74 HydrophobicContact CD1-CE1 4.37Å; L36-F74 HydrophobicContact CD2-CE1 4.02Å; L36-F74 HydrophobicContact CG-CD1 4.1Å; L36-F74 HydrophobicContact CG-CE1 3.98Å; V48-F74 HydrophobicContact CG1-CD1 4.44Å; V48-F74 HydrophobicContact CG1-CG 4.27Å; V48-F74 HydrophobicContact CG2-CB 3.98Å; V48-F74 HydrophobicContact CG2-CD2 4.11Å; V48-F74 HydrophobicContact CG2-CG 4.14Å; T68-F74 HydrophobicContact CG2-CB 4.09Å; T68-F74 HydrophobicContact CG2-CD1 4.06Å; T68-F74 HydrophobicContact CG2-CG 4.5Å; F74-L90 HydrophobicContact CE2-CD1 4.25Å; F74-L90 HydrophobicContact CE2-CD2 3.7Å; F74-L90 HydrophobicContact CZ-CD2 3.61Å; F74-M128 HydrophobicContact CE1-CE 4.48Å; F74-M128 HydrophobicContact CE1-CG 4.49Å; F74-M128 HydrophobicContact CE1-SD 3.78Å; F74-M128 HydrophobicContact CZ-CE 3.68Å; F74-M128 HydrophobicContact CZ-CG 4.14Å; F74-M128 HydrophobicContact CZ-SD 3.53Å; F74-M128 VanDerWaalsContact CZ-SD 3.53Å
75L98.9Very high96.8Very high110 Ų11063.7 Ų63.758%0.57634%0.337SS*.EExtended strand (participates in β ladder)trans-144.3123.3169.9168.865.8000106.7V32 K33 T125V32-L75 WeakPolarHBondContact O-CA 3.36Å; K33-L75 HydrophobicContact CB-CB 4.28Å; K33-L75 HydrophobicContact CB-CD1 3.84Å; L75-T125 HydrophobicContact CD1-CG2 3.9Å
76L98.9Very high96.7Very high5 Ų558.7 Ų58.73%0.02631%0.313CS..EExtended strand (participates in β ladder)trans-121.7148.7171.9-62.2-173.3000109.8A31 V32 V48 L50 D64 L90A31-L76 CarbonylContact C-O 3.57Å; A31-L76 VanDerWaalsContact CA-O 3.28Å; A31-L76 WeakPolarHBondContact CA-O 2.95Å; V32-L76 HydrophobicContact CG1-CB 4.21Å; V32-L76 PolarHBondContact N-O 2.8Å; V32-L76 PolarHBondContact O-N 3.4Å; V48-L76 HydrophobicContact CB-CD1 4.27Å; V48-L76 HydrophobicContact CG2-CD1 3.86Å; V48-L76 HydrophobicContact CG2-CD2 4.15Å; V48-L76 HydrophobicContact CG2-CG 4.05Å; L50-L76 HydrophobicContact CB-CB 4.29Å; L50-L76 HydrophobicContact CB-CD1 3.84Å; L50-L76 HydrophobicContact CD2-CB 4.38Å; D64-L76 HydrophobicContact CB-CB 4.33Å; D64-L76 VanDerWaalsContact OD2-CA 3.27Å; D64-L76 WeakPolarHBondContact OD2-CA 3.43Å; D64-L76 WeakPolarHBondContact OD2-CB 3.15Å; D64-L76 WeakPolarHBondContact OD2-CD2 3.41Å; L76-L90 HydrophobicContact CD1-CD1 3.79Å
77Q98.7Very high96.5Very high96 Ų9660.1 Ų60.145%0.44931%0.314SS..EExtended strand (participates in β ladder)trans-148.8144.1169.562.2173.5-9.600110.8T30 A31 D64 P122T30-Q77 WeakPolarHBondContact O-CA 3.37Å; A31-Q77 HydrophobicContact CB-CB 3.8Å; D64-Q77 VanDerWaalsContact CB-O 3.28Å; D64-Q77 WeakPolarHBondContact CB-O 3.49Å; D64-Q77 VanDerWaalsContact CG-O 3.32Å; D64-Q77 PolarHBondContact OD2-N 2.87Å; D64-Q77 VanDerWaalsContact OD2-O 3.08Å; Q77-P122 HydrophobicContact CB-CG 4.05Å
78G98.1Very high96.4Very high8 Ų853.6 Ų53.68%0.08229%0.286CS..EExtended strand (participates in β ladder)trans-161.6172.517900000112.1S29 T30S29-G78 VanDerWaalsContact CA-O 3.23Å; S29-G78 WeakPolarHBondContact CA-O 3.45Å; S29-G78 WeakPolarHBondContact CB-O 2.85Å; T30-G78 PolarHBondContact N-O 2.88Å; T30-G78 PolarHBondContact O-N 3.42Å
79H97.5Very high96.3Very high89 Ų8953.8 Ų53.841%0.41229%0.287SS..EExtended strand (participates in β ladder)trans-141.8159.9-179.666.4-99.1000111.4Q28 L120Q28-H79 CarbonylContact O-C 3.57Å; Q28-H79 WeakPolarHBondContact O-CA 3.35Å; Q28-H79 WeakPolarHBondContact O-CB 3.29Å; H79-L120 WeakPolarHBondContact CB-O 3.24Å; H79-L120 VanDerWaalsContact CD2-CD2 3.41Å; H79-L120 WeakPolarHBondContact CD2-CD2 3.24Å; H79-L120 PolarHBondContact ND1-O 2.89Å; H79-L120 WeakPolarHBondContact NE2-CD2 2.69Å
80E94.8Very high96.3Very high52 Ų5251.1 Ų51.124%0.24327%0.273CS..EExtended strand (participates in β ladder)trans-143.9152.2174179.759.5-77.800109.4K27 Q28 N61 M63 I86K27-E80 WeakPolarHBondContact CA-O 3.43Å; Q28-E80 PolarHBondContact N-O 2.92Å; Q28-E80 PolarHBondContact O-N 2.91Å; N61-E80 PolarHBondContact ND2-OE2 3Å; M63-E80 HydrophobicContact SD-CB 4.34Å; E80-I86 HydrophobicContact CB-CG2 4.19Å
81T93.4Very high96.1Very high62 Ų6247.9 Ų47.938%0.3825%0.247SC..EExtended strand (participates in β ladder)trans-94.4109.3166.8-56.80000109R26R26-T81 WeakPolarHBondContact O-CA 3.23Å
82S90Very high96.1Very high12 Ų1242.8 Ų42.88%0.08422%0.224CC..EExtended strand (participates in β ladder)trans-131.7147.4-178.1-174.70000112.3G25 R26 Q28 T84G25-S82 CarbonylContact C-O 3.56Å; G25-S82 WeakPolarHBondContact CA-O 3.43Å; R26-S82 PolarHBondContact N-O 2.91Å; R26-S82 PolarHBondContact O-N 2.88Å; Q28-S82 PolarHBondContact NE2-O 3.05Å; S82-T84 WeakPolarHBondContact CB-O 3.28Å; S82-T84 PolarHBondContact OG-N 3.35Å; S82-T84 PolarHBondContact OG-O 2.85Å; S82-T84 VanDerWaalsContact OG-O 3.11Å; S82-T84 PolarHBondContact OG-OG1 2.95Å
83I90.4Very high96Very high116 Ų11643.3 Ų43.360%0.59523%0.226SC*.SBendtrans-69.8-47.6173.9-59173.1000110I24I24-I83 HydrophobicContact CG2-CD1 3.36Å; I24-I83 HydrophobicContact CG2-CG1 3.53Å
84T91.7Very high95.9Very high73 Ų7338.5 Ų38.545%0.44821%0.208SC..SBendtrans-86.1169.3176.354.10000110.6Q28 S82 I86Q28-T84 PolarHBondContact NE2-O 3.06Å; S82-T84 WeakPolarHBondContact CB-O 3.28Å; S82-T84 PolarHBondContact OG-N 3.35Å; S82-T84 PolarHBondContact OG-O 2.85Å; S82-T84 VanDerWaalsContact OG-O 3.11Å; S82-T84 PolarHBondContact OG-OG1 2.95Å; T84-I86 PolarHBondContact O-N 3.16Å
85S94Very high95.8Very high75 Ų7542 Ų4252%0.52423%0.227SC..PPolyproline II helixtrans-59.6138.3168.5-58.70000110.1Q28 S54Q28-S85 VanDerWaalsContact OE1-CA 3.23Å; S54-S85 WeakPolarHBondContact CB-O 3.35Å
86I95.5Very high95.7Very high1 Ų137.1 Ų37.11%0.00520%0.202CC..PPolyproline II helixtrans-65.6150168.961.3172.8000109.5Q28 T30 N52 M63 E80 T84 P88 V116Q28-I86 HydrophobicContact CB-CD1 3.95Å; Q28-I86 HydrophobicContact CB-CG1 4.01Å; Q28-I86 HydrophobicContact CB-CG2 4.05Å; T30-I86 HydrophobicContact CG2-CD1 4.44Å; N52-I86 HydrophobicContact CB-CB 4.43Å; N52-I86 WeakPolarHBondContact OD1-CA 3.05Å; N52-I86 WeakPolarHBondContact OD1-CB 3.28Å; M63-I86 HydrophobicContact SD-CD1 4.41Å; E80-I86 HydrophobicContact CB-CG2 4.19Å; T84-I86 PolarHBondContact O-N 3.16Å; I86-P88 HydrophobicContact CD1-CG 3.96Å; I86-P88 HydrophobicContact CG1-CG 4.01Å; I86-V116 HydrophobicContact CD1-CG1 3.92Å; I86-V116 HydrophobicContact CD1-CG2 4.15Å; I86-V116 HydrophobicContact CG1-CB 4.29Å; I86-V116 HydrophobicContact CG1-CG1 3.55Å; I86-V116 HydrophobicContact CG1-CG2 3.7Å
87D95.4Very high95.5Very high56 Ų5641.4 Ų41.430%0.29923%0.225SC..  trans-119.387.3174.9-169.35.6000108.1N52 D53N52-D87 PolarHBondContact OD1-N 2.94Å; D53-D87 PolarHBondContact N-O 2.81Å
88P96.8Very high95.1Very high0 Ų038 Ų380%021%0.21CC..EExtended strand (participates in β ladder)trans-77.9132.3-167.7-11.627.8000112.2T30 L50 Y51 M63 I86 I111 V116T30-P88 HydrophobicContact CG2-CB 3.53Å; T30-P88 HydrophobicContact CG2-CG 3.67Å; L50-P88 HydrophobicContact CD1-CB 4.28Å; Y51-P88 CarbonylContact O-C 3.57Å; Y51-P88 VanDerWaalsContact O-CA 3.3Å; Y51-P88 WeakPolarHBondContact O-CA 3.45Å; M63-P88 HydrophobicContact CE-CB 4Å; I86-P88 HydrophobicContact CD1-CG 3.96Å; I86-P88 HydrophobicContact CG1-CG 4.01Å; P88-I111 HydrophobicContact CB-CB 4.08Å; P88-I111 HydrophobicContact CB-CD1 3.98Å; P88-I111 WeakPolarHBondContact O-CB 3.37Å; P88-I111 PolarHBondContact O-N 2.77Å; P88-V116 HydrophobicContact CG-CG2 3.67Å
89I96.2Very high94.4Very high6 Ų647.5 Ų47.53%0.03125%0.253CS..EExtended strand (participates in β ladder)trans-123.9136.6177.470.7173.5000110Y51 D53 E60 L110Y51-I89 PolarHBondContact N-O 2.8Å; Y51-I89 PolarHBondContact O-N 3.3Å; D53-I89 HydrophobicContact CB-CD1 4.1Å; D53-I89 HydrophobicContact CB-CG1 4.44Å; D53-I89 HydrophobicContact CB-CG2 3.95Å; E60-I89 HydrophobicContact CG-CD1 4.16Å; I89-L110 HydrophobicContact CG2-CD2 3.6Å
90L97.3Very high93.4Very high0 Ų048 Ų480%026%0.258CS..EExtended strand (participates in β ladder)trans-98.6122.4169.6-176.577.4000109.3V32 V48 K49 F74 L76 L92 S108 I109 M128V32-L90 HydrophobicContact CG1-CD1 3.93Å; V32-L90 HydrophobicContact CG2-CD2 4.41Å; V48-L90 HydrophobicContact CB-CD1 4.31Å; K49-L90 CarbonylContact O-C 3.54Å; K49-L90 WeakPolarHBondContact O-CA 3.4Å; F74-L90 HydrophobicContact CE2-CD1 4.25Å; F74-L90 HydrophobicContact CE2-CD2 3.7Å; F74-L90 HydrophobicContact CZ-CD2 3.61Å; L76-L90 HydrophobicContact CD1-CD1 3.79Å; L90-L92 HydrophobicContact CD2-CD2 3.77Å; L90-L92 HydrophobicContact CD2-CG 4.26Å; L90-L92 HydrophobicContact CG-CD2 4.16Å; L90-S108 CarbonylContact O-C 3.52Å; L90-S108 VanDerWaalsContact O-CA 3.29Å; L90-S108 WeakPolarHBondContact O-CA 3.44Å; L90-I109 PolarHBondContact N-O 2.86Å; L90-I109 PolarHBondContact O-N 3.42Å; L90-M128 HydrophobicContact CD2-CE 3.35Å
91K96.5Very high92.6Very high23 Ų2348.6 Ų48.610%0.127%0.272CS..EExtended strand (participates in β ladder)trans-99.6132.7170.5-68.8-165.9167.1-175.10111.3V48 K49 Y51 E60 Y93 S108V48-K91 CarbonylContact C-O 3.52Å; V48-K91 WeakPolarHBondContact CA-O 3.29Å; K49-K91 HydrophobicContact CB-CB 4.46Å; K49-K91 PolarHBondContact N-O 2.96Å; K49-K91 PolarHBondContact O-N 2.85Å; Y51-K91 HydrophobicContact CD2-CB 4.37Å; Y51-K91 HydrophobicContact CD2-CD 3.97Å; Y51-K91 HydrophobicContact CD2-CG 4.01Å; Y51-K91 HydrophobicContact CE2-CB 4.17Å; Y51-K91 HydrophobicContact CE2-CD 3.74Å; Y51-K91 HydrophobicContact CE2-CG 4.08Å; E60-K91 WeakPolarHBondContact OE1-CE 3.09Å; E60-K91 IonicContact OE1-NZ 3.86Å; E60-K91 PolarHBondContact OE1-NZ 2.67Å; E60-K91 WeakPolarHBondContact OE2-CE 3.26Å; E60-K91 IonicContact OE2-NZ 2.65Å; E60-K91 PolarHBondContact OE2-NZ 2.85Å; K91-Y93 HydrophobicContact CB-CE2 3.71Å; K91-Y93 WeakPolarHBondContact CD-OH 3.29Å; K91-S108 WeakPolarHBondContact CE-OG 3.45Å
92L97.7Very high92.4Very high0 Ų051.1 Ų51.10%028%0.279CS..EExtended strand (participates in β ladder)trans-112.5136.4177.8-60.5176.6000109.2L36 V48 L90 R106 F107 I109 L131 L133L36-L92 HydrophobicContact CD1-CD1 4.42Å; L36-L92 HydrophobicContact CD1-CD2 3.81Å; L36-L92 HydrophobicContact CD2-CD1 4.18Å; V48-L92 HydrophobicContact CB-CD2 4.03Å; V48-L92 HydrophobicContact CG1-CD2 3.27Å; L90-L92 HydrophobicContact CD2-CD2 3.77Å; L90-L92 HydrophobicContact CD2-CG 4.26Å; L90-L92 HydrophobicContact CG-CD2 4.16Å; L92-R106 VanDerWaalsContact O-CA 3.25Å; L92-R106 WeakPolarHBondContact O-CA 3.43Å; L92-F107 HydrophobicContact CB-CD1 4.49Å; L92-F107 HydrophobicContact CB-CE1 4.12Å; L92-F107 HydrophobicContact CB-CZ 4.25Å; L92-F107 HydrophobicContact CD1-CE1 4.1Å; L92-F107 HydrophobicContact CD1-CE2 3.72Å; L92-F107 HydrophobicContact CD1-CZ 3.41Å; L92-F107 VanDerWaalsContact CD1-CZ 3.41Å; L92-F107 HydrophobicContact CG-CZ 4.37Å; L92-F107 PolarHBondContact N-O 3.44Å; L92-F107 PolarHBondContact O-N 3.44Å; L92-I109 HydrophobicContact CD1-CD1 3.92Å; L92-L131 HydrophobicContact CD1-CD2 4.02Å; L92-L133 HydrophobicContact CD1-CD2 4.49Å
93Y96.8Very high92.5Very high10 Ų1052 Ų524%0.03929%0.285CS..EExtended strand (participates in β ladder)trans-128.9112.5178.1-54-96000109.7V46 K47 K49 K91 K105 R106 E143V46-Y93 WeakPolarHBondContact CG1-O 3.3Å; K47-Y93 HydrophobicContact CB-CD2 4.43Å; K47-Y93 HydrophobicContact CD-CD2 4.25Å; K47-Y93 HydrophobicContact CG-CD2 4.06Å; K47-Y93 PolarHBondContact N-O 3.12Å; K47-Y93 PolarHBondContact O-N 3.22Å; K49-Y93 HydrophobicContact CB-CE2 4.27Å; K49-Y93 HydrophobicContact CD-CE2 4.02Å; K49-Y93 HydrophobicContact CG-CE2 3.96Å; K91-Y93 HydrophobicContact CB-CE2 3.71Å; K91-Y93 WeakPolarHBondContact CD-OH 3.29Å; Y93-K105 WeakPolarHBondContact CA-O 3.24Å; Y93-R106 HydrophobicContact CD1-CB 3.85Å; Y93-R106 HydrophobicContact CE1-CB 4.01Å; Y93-E143 HydrophobicContact CD1-CB 4.33Å; Y93-E143 HydrophobicContact CE1-CB 4.44Å; Y93-E143 WeakPolarHBondContact CE1-OE2 3.5Å
94H97Very high92.7Very high3 Ų348.8 Ų48.81%0.01427%0.269CS..EExtended strand (participates in β ladder)trans-142.9164-170.96998.8000113.4V46 C96 L104 K105 F107 L133V46-H94 HydrophobicContact CG1-CB 4Å; V46-H94 HydrophobicContact CG2-CB 4.19Å; H94-C96 WeakPolarHBondContact ND1-CB 3.44Å; H94-C96 PolarHBondContact ND1-N 2.98Å; H94-L104 CarbonylContact O-C 3.58Å; H94-L104 WeakPolarHBondContact O-CA 3.34Å; H94-K105 PolarHBondContact N-O 3.41Å; H94-K105 PolarHBondContact O-N 3.01Å; H94-F107 AromaticContact CD2-CE1 3.92Å; H94-F107 AromaticContact NE2-CD1 3.9Å; H94-F107 AromaticContact NE2-CE1 3.54Å; H94-L133 HydrophobicContact CB-CD1 3.75Å; H94-L133 PolarHBondContact CE1-O 2.87Å
95N95.8Very high92.9Very high86 Ų8646.5 Ų46.546%0.4625%0.253SS..  trans-117.718177.162.3-14.2000112.7D97 V98 L104N95-D97 PolarHBondContact O-N 3.07Å; N95-V98 HydrophobicContact CB-CB 4.24Å; N95-V98 WeakPolarHBondContact O-CB 3.43Å; N95-V98 PolarHBondContact O-N 3.4Å; N95-L104 HydrophobicContact CB-CD2 3.96Å
96C97Very high93Very high6 Ų646.9 Ų46.94%0.04124%0.243CC..THydrogen-bonded Turntrans-56.4125.7172.6-170.30000110.7C38 H94 V98 K105 L133C38-C96 WeakPolarHBondContact CA-SG 3.49Å; C38-C96 HydrophobicContact CB-CB 3.8Å; C38-C96 WeakPolarHBondContact CB-SG 3.03Å; C38-C96 WeakPolarHBondContact SG-CA 3.49Å; C38-C96 WeakPolarHBondContact SG-CB 3.35Å; C38-C96 CovalentContact SG-SG 2.03Å; C38-C96 PolarHBondContact SG-SG 2.99Å; H94-C96 WeakPolarHBondContact ND1-CB 3.44Å; H94-C96 PolarHBondContact ND1-N 2.98Å; C96-V98 PolarHBondContact O-N 3.06Å; C96-K105 PolarHBondContact O-NZ 3.11Å; C96-L133 HydrophobicContact CB-CB 3.72Å
97D94.7Very high93Very high96 Ų9647.1 Ų47.151%0.51324%0.244SC..THydrogen-bonded Turntrans54.235.8-172.4-53.3-39.4000113.7N39 N95 G134N39-D97 PolarHBondContact ND2-OD1 3.28Å; N95-D97 PolarHBondContact O-N 3.07Å; D97-G134 WeakPolarHBondContact OD2-CA 3.45Å
98V90.1Very high93Very high23 Ų2347.1 Ų47.114%0.13925%0.248CC..  trans-122.7112.1173-175.90000109.1N95 C96 N100 K105N95-V98 HydrophobicContact CB-CB 4.24Å; N95-V98 WeakPolarHBondContact O-CB 3.43Å; N95-V98 PolarHBondContact O-N 3.4Å; C96-V98 PolarHBondContact O-N 3.06Å; V98-N100 VanDerWaalsContact CG1-O 3.23Å; V98-N100 WeakPolarHBondContact CG1-O 3.5Å; V98-K105 HydrophobicContact CG2-CD 3.61Å; V98-K105 HydrophobicContact CG2-CG 3.8Å
99E83.1Confident92.9Very high209 Ų20949 Ų4998%0.97726%0.258SS*.SBendtrans-69-38.9-179.4-65-179.7172.400112.7
100N76.8Confident92.9Very high100 Ų10054.5 Ų54.554%0.53529%0.286SS..  trans-103.4106.7177.6-175.40.3000111.2V98 Q102V98-N100 VanDerWaalsContact CG1-O 3.23Å; V98-N100 WeakPolarHBondContact CG1-O 3.5Å; N100-Q102 PolarHBondContact O-N 3.34Å; N100-Q102 VanDerWaalsContact O-N 3.07Å; N100-Q102 VanDerWaalsContact OD1-CB 3.29Å; N100-Q102 WeakPolarHBondContact OD1-CB 3.42Å; N100-Q102 PolarHBondContact OD1-N 3.48Å
101A79.3Confident92.9Very high63 Ų6354.6 Ų54.652%0.52129%0.287SS..THydrogen-bonded Turntrans-69.41.6-179.900000114.8C103A101-C103 PolarHBondContact O-N 2.78Å
102Q88.8Confident92.9Very high115 Ų11556.1 Ų56.154%0.53730%0.299SS..THydrogen-bonded Turntrans-60-31.1173.6-172.1173.315.200112.5N100 C144 A145N100-Q102 PolarHBondContact O-N 3.34Å; N100-Q102 VanDerWaalsContact O-N 3.07Å; N100-Q102 VanDerWaalsContact OD1-CB 3.29Å; N100-Q102 WeakPolarHBondContact OD1-CB 3.42Å; N100-Q102 PolarHBondContact OD1-N 3.48Å; Q102-C144 CarbonylContact O-C 3.57Å; Q102-C144 VanDerWaalsContact O-CA 3.23Å; Q102-C144 WeakPolarHBondContact O-CA 3.41Å; Q102-A145 PolarHBondContact O-N 2.96Å
103C92.1Very high92.8Very high31 Ų3160.6 Ų60.621%0.20932%0.323CS..EExtended strand (participates in β ladder)trans-125.1113.6178-60.10000111.4A101 E143 C144A101-C103 PolarHBondContact O-N 2.78Å; C103-E143 CarbonylContact C-O 3.53Å; C103-E143 WeakPolarHBondContact CA-O 3.28Å; C103-C144 HydrophobicContact CB-CB 4.05Å; C103-C144 WeakPolarHBondContact CB-SG 3.45Å; C103-C144 WeakPolarHBondContact SG-CB 3.42Å; C103-C144 CovalentContact SG-SG 2.04Å; C103-C144 PolarHBondContact SG-SG 3.48Å
104L94.5Very high92.9Very high48 Ų4866.2 Ų66.225%0.25135%0.354SS..EExtended strand (participates in β ladder)trans-79.8142.5174.8-57.2-178.8000110.3H94 N95 R142 E143H94-L104 CarbonylContact O-C 3.58Å; H94-L104 WeakPolarHBondContact O-CA 3.34Å; N95-L104 HydrophobicContact CB-CD2 3.96Å; L104-R142 CarbonylContact O-C 3.57Å; L104-R142 WeakPolarHBondContact O-CA 3.49Å; L104-E143 PolarHBondContact N-O 2.76Å; L104-E143 PolarHBondContact O-N 3.02Å
105K95.9Very high92.9Very high26 Ų2668.3 Ų68.311%0.11336%0.363CS..EExtended strand (participates in β ladder)trans-67.5141.5162.6-73.8165.7163.5-178.30108.7Y93 H94 C96 V98 E140 G141Y93-K105 WeakPolarHBondContact CA-O 3.24Å; H94-K105 PolarHBondContact N-O 3.41Å; H94-K105 PolarHBondContact O-N 3.01Å; C96-K105 PolarHBondContact O-NZ 3.11Å; V98-K105 HydrophobicContact CG2-CD 3.61Å; V98-K105 HydrophobicContact CG2-CG 3.8Å; K105-E140 WeakPolarHBondContact CB-OE1 3.48Å; K105-E140 WeakPolarHBondContact CD-OE1 3.35Å; K105-E140 WeakPolarHBondContact CE-OE1 3.36Å; K105-E140 WeakPolarHBondContact CG-OE1 3.2Å; K105-G141 WeakPolarHBondContact CA-O 3.4Å
106R95.2Very high93.1Very high83 Ų8365.7 Ų65.731%0.31335%0.35SS..EExtended strand (participates in β ladder)trans-134.8140.7176.264167.9-174.987.1-2.9111.8L92 Y93 E140 G141 R142L92-R106 VanDerWaalsContact O-CA 3.25Å; L92-R106 WeakPolarHBondContact O-CA 3.43Å; Y93-R106 HydrophobicContact CD1-CB 3.85Å; Y93-R106 HydrophobicContact CE1-CB 4.01Å; R106-E140 CarbonylContact O-C 3.5Å; R106-E140 WeakPolarHBondContact O-CA 3.13Å; R106-G141 PolarHBondContact N-O 2.8Å; R106-G141 PolarHBondContact O-N 3.38Å; R106-R142 PolarHBondContact NE-O 3.44Å
107F95.6Very high93.1Very high6 Ų665.8 Ų65.83%0.02635%0.351CS..EExtended strand (participates in β ladder)trans-152.4165.5167.965.8-83.2000110L92 H94 I109 L131 L133 F137L92-F107 HydrophobicContact CB-CD1 4.49Å; L92-F107 HydrophobicContact CB-CE1 4.12Å; L92-F107 HydrophobicContact CB-CZ 4.25Å; L92-F107 HydrophobicContact CD1-CE1 4.1Å; L92-F107 HydrophobicContact CD1-CE2 3.72Å; L92-F107 HydrophobicContact CD1-CZ 3.41Å; L92-F107 VanDerWaalsContact CD1-CZ 3.41Å; L92-F107 HydrophobicContact CG-CZ 4.37Å; L92-F107 PolarHBondContact N-O 3.44Å; L92-F107 PolarHBondContact O-N 3.44Å; H94-F107 AromaticContact CD2-CE1 3.92Å; H94-F107 AromaticContact NE2-CD1 3.9Å; H94-F107 AromaticContact NE2-CE1 3.54Å; F107-I109 HydrophobicContact CD2-CG1 4.23Å; F107-I109 HydrophobicContact CE2-CD1 3.92Å; F107-I109 HydrophobicContact CE2-CG1 3.93Å; F107-L131 HydrophobicContact CE2-CD2 4.03Å; F107-L131 HydrophobicContact CZ-CD2 3.8Å; F107-L133 HydrophobicContact CE1-CD2 3.99Å; F107-L133 HydrophobicContact CZ-CD2 3.95Å; F107-F137 HydrophobicContact CB-CB 4.13Å; F107-F137 HydrophobicContact CD1-CB 4.3Å; F107-F137 AromaticContact CD1-CD2 3.78Å; F107-F137 HydrophobicContact CD1-CD2 3.78Å; F107-F137 HydrophobicContact CD1-CE2 4.45Å; F107-F137 HydrophobicContact CD1-CG 4.14Å; F107-F137 HydrophobicContact CD2-CB 3.94Å; F107-F137 HydrophobicContact CD2-CD1 4.24Å; F107-F137 HydrophobicContact CD2-CD2 4.28Å; F107-F137 AromaticContact CD2-CG 3.87Å; F107-F137 HydrophobicContact CD2-CG 3.87Å; F107-F137 AromaticContact CE1-CD2 3.51Å; F107-F137 HydrophobicContact CE1-CD2 3.51Å; F107-F137 AromaticContact CE1-CE2 3.73Å; F107-F137 HydrophobicContact CE1-CE2 3.73Å; F107-F137 HydrophobicContact CE1-CG 4.1Å; F107-F137 HydrophobicContact CE1-CZ 4.47Å; F107-F137 HydrophobicContact CE2-CB 4.37Å; F107-F137 AromaticContact CE2-CD1 3.87Å; F107-F137 HydrophobicContact CE2-CD1 3.87Å; F107-F137 HydrophobicContact CE2-CD2 4.01Å; F107-F137 HydrophobicContact CE2-CE1 4.17Å; F107-F137 HydrophobicContact CE2-CE2 4.29Å; F107-F137 AromaticContact CE2-CG 3.79Å; F107-F137 HydrophobicContact CE2-CG 3.79Å; F107-F137 HydrophobicContact CE2-CZ 4.37Å; F107-F137 HydrophobicContact CG-CB 3.88Å; F107-F137 HydrophobicContact CG-CD2 4.16Å; F107-F137 HydrophobicContact CG-CG 4.03Å; F107-F137 HydrophobicContact CZ-CD1 4.18Å; F107-F137 AromaticContact CZ-CD2 3.62Å; F107-F137 HydrophobicContact CZ-CD2 3.62Å; F107-F137 HydrophobicContact CZ-CE1 4.19Å; F107-F137 AromaticContact CZ-CE2 3.62Å; F107-F137 HydrophobicContact CZ-CE2 3.62Å; F107-F137 AromaticContact CZ-CG 3.91Å; F107-F137 HydrophobicContact CZ-CG 3.91Å; F107-F137 AromaticContact CZ-CZ 3.91Å; F107-F137 HydrophobicContact CZ-CZ 3.91Å
108S95.1Very high93.3Very high55 Ų5565.7 Ų65.739%0.38535%0.347SS..EExtended strand (participates in β ladder)trans-115144.4-177.9-570000110.9L90 K91L90-S108 CarbonylContact O-C 3.52Å; L90-S108 VanDerWaalsContact O-CA 3.29Å; L90-S108 WeakPolarHBondContact O-CA 3.44Å; K91-S108 WeakPolarHBondContact CE-OG 3.45Å
109I95.8Very high93.6Very high41 Ų4166 Ų6621%0.2136%0.355CS..EExtended strand (participates in β ladder)trans-118.7126.4169.4-63.2170.3000107.5L90 L92 F107 M128 L131L90-I109 PolarHBondContact N-O 2.86Å; L90-I109 PolarHBondContact O-N 3.42Å; L92-I109 HydrophobicContact CD1-CD1 3.92Å; F107-I109 HydrophobicContact CD2-CG1 4.23Å; F107-I109 HydrophobicContact CE2-CD1 3.92Å; F107-I109 HydrophobicContact CE2-CG1 3.93Å; I109-M128 HydrophobicContact CD1-CE 3.62Å; I109-M128 HydrophobicContact CD1-SD 4.34Å; I109-L131 HydrophobicContact CD1-CD2 3.81Å
110L95Very high94.3Very high120 Ų12059.1 Ų59.163%0.62832%0.324SS*.EExtended strand (participates in β ladder)trans-71.7132.2172.4-63.5174.9000109.6I89I89-L110 HydrophobicContact CG2-CD2 3.6Å
111I97.3Very high95.4Very high2 Ų260.3 Ų60.31%0.0133%0.327CS..PPolyproline II helixtrans-91126.7170.1-61.1166.2000107V32 L50 P88 N113 F115 F126V32-I111 HydrophobicContact CB-CD1 3.75Å; V32-I111 HydrophobicContact CB-CG1 4.33Å; V32-I111 HydrophobicContact CG1-CD1 3.75Å; V32-I111 HydrophobicContact CG2-CD1 4.3Å; V32-I111 HydrophobicContact CG2-CG1 4.42Å; L50-I111 HydrophobicContact CD1-CD1 3.37Å; P88-I111 HydrophobicContact CB-CB 4.08Å; P88-I111 HydrophobicContact CB-CD1 3.98Å; P88-I111 WeakPolarHBondContact O-CB 3.37Å; P88-I111 PolarHBondContact O-N 2.77Å; I111-N113 PolarHBondContact O-N 3.38Å; I111-F115 HydrophobicContact CG2-CB 3.99Å; I111-F126 HydrophobicContact CB-CD1 4.43Å; I111-F126 HydrophobicContact CG1-CD1 4.18Å; I111-F126 HydrophobicContact CG2-CB 3.9Å; I111-F126 HydrophobicContact CG2-CD1 4.06Å; I111-F126 HydrophobicContact CG2-CG 4.13Å
112P97.6Very high96.3Very high55 Ų5558.5 Ų58.536%0.35731%0.31SS..PPolyproline II helixtrans-60.6138.1-176.2-20.630.3000111.9D114 F115 F126P112-D114 PolarHBondContact O-N 3.49Å; P112-F115 HydrophobicContact CB-CD2 4.02Å; P112-F115 HydrophobicContact CB-CE2 4.44Å; P112-F115 HydrophobicContact CG-CD2 4.19Å; P112-F115 HydrophobicContact CG-CE2 4.35Å; P112-F115 WeakPolarHBondContact O-CB 3.33Å; P112-F115 PolarHBondContact O-N 3.4Å; P112-F126 HydrophobicContact CG-CD2 4.33Å; P112-F126 HydrophobicContact CG-CE2 3.97Å; P112-F126 HydrophobicContact CG-CZ 4.24Å
113N95.7Very high96.7Very high95 Ų9561.1 Ų61.151%0.50832%0.319SS..G310 helixtrans-55.2-26.1-178.8-74.7-26.6000113.9I111 F115 V116I111-N113 PolarHBondContact O-N 3.38Å; N113-F115 PolarHBondContact O-N 3.22Å; N113-F115 VanDerWaalsContact O-N 3.12Å; N113-V116 VanDerWaalsContact O-CB 3.31Å; N113-V116 WeakPolarHBondContact O-CB 3.3Å; N113-V116 PolarHBondContact O-N 2.72Å
114D97.9Very high97Very high127 Ų12764.2 Ų64.268%0.67933%0.329SS*.G310 helixtrans-58.4-26.1174.5-72-13000112.1P112 V116 K124P112-D114 PolarHBondContact O-N 3.49Å; D114-V116 VanDerWaalsContact C-N 3.31Å; D114-K124 VanDerWaalsContact C-CE 3.45Å; D114-K124 WeakPolarHBondContact O-CE 3.31Å; D114-K124 PolarHBondContact O-NZ 3.3Å
115F98.4Very high97.2Very high47 Ų4764.7 Ų64.721%0.20634%0.335CS..G310 helixtrans-83.7-0.3176.8-68.4-94.8000114.5T30 I111 P112 N113 K124 T125 F126T30-F115 PolarHBondContact OG1-O 3.13Å; I111-F115 HydrophobicContact CG2-CB 3.99Å; P112-F115 HydrophobicContact CB-CD2 4.02Å; P112-F115 HydrophobicContact CB-CE2 4.44Å; P112-F115 HydrophobicContact CG-CD2 4.19Å; P112-F115 HydrophobicContact CG-CE2 4.35Å; P112-F115 WeakPolarHBondContact O-CB 3.33Å; P112-F115 PolarHBondContact O-N 3.4Å; N113-F115 PolarHBondContact O-N 3.22Å; N113-F115 VanDerWaalsContact O-N 3.12Å; F115-K124 HydrophobicContact CD1-CB 4.49Å; F115-K124 HydrophobicContact CD1-CD 3.98Å; F115-K124 HydrophobicContact CD1-CG 3.79Å; F115-K124 HydrophobicContact CE1-CD 4.16Å; F115-K124 HydrophobicContact CE1-CG 4.3Å; F115-T125 WeakPolarHBondContact CE1-O 3.46Å; F115-F126 HydrophobicContact CB-CB 4.25Å; F115-F126 VanDerWaalsContact CD1-CA 3.47Å; F115-F126 HydrophobicContact CD1-CB 3.65Å; F115-F126 HydrophobicContact CD1-CD2 4.44Å; F115-F126 VanDerWaalsContact CD1-N 3.32Å; F115-F126 HydrophobicContact CD2-CB 4.18Å; F115-F126 AromaticContact CD2-CD2 3.91Å; F115-F126 HydrophobicContact CD2-CD2 3.91Å; F115-F126 HydrophobicContact CD2-CG 4.35Å; F115-F126 VanDerWaalsContact CE1-CA 3.47Å; F115-F126 HydrophobicContact CE1-CB 4Å; F115-F126 HydrophobicContact CE1-CD2 4.15Å; F115-F126 HydrophobicContact CE2-CB 4.49Å; F115-F126 AromaticContact CE2-CD2 3.58Å; F115-F126 HydrophobicContact CE2-CD2 3.58Å; F115-F126 HydrophobicContact CE2-CE2 4.3Å; F115-F126 HydrophobicContact CE2-CG 4.42Å; F115-F126 HydrophobicContact CG-CB 3.76Å; F115-F126 HydrophobicContact CG-CD2 4.33Å; F115-F126 HydrophobicContact CG-CG 4.41Å; F115-F126 HydrophobicContact CZ-CB 4.41Å; F115-F126 AromaticContact CZ-CD2 3.72Å; F115-F126 HydrophobicContact CZ-CD2 3.72Å
116V98.4Very high97.4Very high32 Ų3265.4 Ų65.419%0.19434%0.338CS..  trans-77131.7168.4178.40000109.7Q28 S29 I86 P88 N113 D114Q28-V116 HydrophobicContact CB-CG1 4.08Å; Q28-V116 HydrophobicContact CG-CG1 4.47Å; S29-V116 CarbonylContact O-C 3.55Å; S29-V116 WeakPolarHBondContact O-CA 3.46Å; I86-V116 HydrophobicContact CD1-CG1 3.92Å; I86-V116 HydrophobicContact CD1-CG2 4.15Å; I86-V116 HydrophobicContact CG1-CB 4.29Å; I86-V116 HydrophobicContact CG1-CG1 3.55Å; I86-V116 HydrophobicContact CG1-CG2 3.7Å; P88-V116 HydrophobicContact CG-CG2 3.67Å; N113-V116 VanDerWaalsContact O-CB 3.31Å; N113-V116 WeakPolarHBondContact O-CB 3.3Å; N113-V116 PolarHBondContact O-N 2.72Å; D114-V116 VanDerWaalsContact C-N 3.31Å
117S98.5Very high97.5Very high8 Ų865.4 Ų65.46%0.05634%0.344CS..EExtended strand (participates in β ladder)trans-116.1142.8177.8-61.20000110.8Q28 S29 K123Q28-S117 CarbonylContact C-O 3.49Å; Q28-S117 VanDerWaalsContact CA-O 3.24Å; Q28-S117 WeakPolarHBondContact CA-O 3.04Å; S29-S117 PolarHBondContact N-O 3.46Å; S29-S117 PolarHBondContact O-N 2.58Å; S29-S117 PolarHBondContact OG-O 3Å; S117-K123 PolarHBondContact OG-N 3.09Å
118E97.7Very high97.6Very high93 Ų9366.9 Ų66.944%0.43535%0.351SS..EExtended strand (participates in β ladder)trans-71.1131166.1-68.4-70.4167.300110R26R26-E118 IonicContact CZ-OE1 3.54Å; R26-E118 IonicContact NE-OE1 3.97Å; R26-E118 IonicContact NH1-OE1 2.59Å; R26-E118 PolarHBondContact NH1-OE1 2.92Å
119G97.9Very high97.8Very high29 Ų2965.7 Ų65.730%0.29935%0.347SS..SBendtrans110.4178.6-177.200000113.9K27 Q28 S29K27-G119 PolarHBondContact O-N 3Å; Q28-G119 CarbonylContact C-O 3.57Å; S29-G119 WeakPolarHBondContact CB-O 3.45Å; S29-G119 PolarHBondContact N-O 3.49Å; S29-G119 PolarHBondContact OG-O 3.1Å
120L97.7Very high97.9Very high65 Ų6568.5 Ų68.534%0.3437%0.366SS..SBendtrans-74.2-27.5179.6-66.4175.1000113.2K27 S29 H79K27-L120 HydrophobicContact CB-CD2 4.38Å; K27-L120 HydrophobicContact CD-CD2 3.57Å; K27-L120 HydrophobicContact CD-CG 3.89Å; K27-L120 HydrophobicContact CG-CD2 4.12Å; S29-L120 WeakPolarHBondContact CB-O 2.98Å; H79-L120 WeakPolarHBondContact CB-O 3.24Å; H79-L120 VanDerWaalsContact CD2-CD2 3.41Å; H79-L120 WeakPolarHBondContact CD2-CD2 3.24Å; H79-L120 PolarHBondContact ND1-O 2.89Å; H79-L120 WeakPolarHBondContact NE2-CD2 2.69Å
121E98.4Very high98.1Very high125 Ų12564.6 Ų64.658%0.58435%0.346SS*.SBendtrans-112.4128.7-173.3-60.6-57.9137.500110.3S29S29-E121 PolarHBondContact OG-O 3.42Å
122P98.6Very high98.1Very high25 Ų2567.8 Ų67.816%0.16236%0.363CS..  trans-69.6137.5178.925.3-28.7000111S29 A31 Q77S29-P122 WeakPolarHBondContact OG-CA 3.43Å; A31-P122 HydrophobicContact CB-CB 3.95Å; A31-P122 HydrophobicContact CB-CG 3.6Å; Q77-P122 HydrophobicContact CB-CG 4.05Å
123K98.6Very high98.2Very high170 Ų17065.2 Ų65.274%0.73935%0.346SS*.SBendtrans-83.9-16.4179.8-64176.6-176.8175.90113.3S117S117-K123 PolarHBondContact OG-N 3.09Å
124K98.2Very high98.2Very high96 Ų9662 Ų6242%0.41734%0.336SS..SBendtrans-151.9155.6178.259.3-177-174.9-170.90110.5D114 F115D114-K124 VanDerWaalsContact C-CE 3.45Å; D114-K124 WeakPolarHBondContact O-CE 3.31Å; D114-K124 PolarHBondContact O-NZ 3.3Å; F115-K124 HydrophobicContact CD1-CB 4.49Å; F115-K124 HydrophobicContact CD1-CD 3.98Å; F115-K124 HydrophobicContact CD1-CG 3.79Å; F115-K124 HydrophobicContact CE1-CD 4.16Å; F115-K124 HydrophobicContact CE1-CG 4.3Å
125T98.8Very high98.1Very high59 Ų5957.4 Ų57.436%0.36232%0.318SS..EExtended strand (participates in β ladder)trans-111.1129.3-179.7-52.60000109.3A31 K33 L75 F115 D127A31-T125 HydrophobicContact CB-CG2 3.93Å; A31-T125 WeakPolarHBondContact O-CA 3.37Å; K33-T125 HydrophobicContact CB-CG2 4.01Å; K33-T125 HydrophobicContact CD-CG2 4.05Å; K33-T125 HydrophobicContact CG-CG2 3.78Å; L75-T125 HydrophobicContact CD1-CG2 3.9Å; F115-T125 WeakPolarHBondContact CE1-O 3.46Å; T125-D127 PolarHBondContact O-N 3.16Å
126F98.7Very high97.9Very high41 Ų4164.8 Ų64.818%0.1835%0.35CS..EExtended strand (participates in β ladder)trans-72.4116.8169.9-179.6-124.4000109.5A31 V32 K33 I111 P112 F115 M128A31-F126 PolarHBondContact O-N 3.11Å; V32-F126 CarbonylContact C-O 3.37Å; V32-F126 VanDerWaalsContact CA-O 3.29Å; V32-F126 WeakPolarHBondContact CA-O 3.29Å; V32-F126 HydrophobicContact CB-CB 4.5Å; V32-F126 HydrophobicContact CG2-CB 4.48Å; V32-F126 HydrophobicContact CG2-CD1 3.88Å; K33-F126 PolarHBondContact N-O 2.03Å; I111-F126 HydrophobicContact CB-CD1 4.43Å; I111-F126 HydrophobicContact CG1-CD1 4.18Å; I111-F126 HydrophobicContact CG2-CB 3.9Å; I111-F126 HydrophobicContact CG2-CD1 4.06Å; I111-F126 HydrophobicContact CG2-CG 4.13Å; P112-F126 HydrophobicContact CG-CD2 4.33Å; P112-F126 HydrophobicContact CG-CE2 3.97Å; P112-F126 HydrophobicContact CG-CZ 4.24Å; F115-F126 HydrophobicContact CB-CB 4.25Å; F115-F126 VanDerWaalsContact CD1-CA 3.47Å; F115-F126 HydrophobicContact CD1-CB 3.65Å; F115-F126 HydrophobicContact CD1-CD2 4.44Å; F115-F126 VanDerWaalsContact CD1-N 3.32Å; F115-F126 HydrophobicContact CD2-CB 4.18Å; F115-F126 AromaticContact CD2-CD2 3.91Å; F115-F126 HydrophobicContact CD2-CD2 3.91Å; F115-F126 HydrophobicContact CD2-CG 4.35Å; F115-F126 VanDerWaalsContact CE1-CA 3.47Å; F115-F126 HydrophobicContact CE1-CB 4Å; F115-F126 HydrophobicContact CE1-CD2 4.15Å; F115-F126 HydrophobicContact CE2-CB 4.49Å; F115-F126 AromaticContact CE2-CD2 3.58Å; F115-F126 HydrophobicContact CE2-CD2 3.58Å; F115-F126 HydrophobicContact CE2-CE2 4.3Å; F115-F126 HydrophobicContact CE2-CG 4.42Å; F115-F126 HydrophobicContact CG-CB 3.76Å; F115-F126 HydrophobicContact CG-CD2 4.33Å; F115-F126 HydrophobicContact CG-CG 4.41Å; F115-F126 HydrophobicContact CZ-CB 4.41Å; F115-F126 AromaticContact CZ-CD2 3.72Å; F115-F126 HydrophobicContact CZ-CD2 3.72Å; F126-M128 HydrophobicContact CE1-CB 4.35Å
127D98.7Very high97.7Very high82 Ų8265.9 Ų65.944%0.43935%0.353SS..EExtended strand (participates in β ladder)trans-96.7111.9175.7-167.2-18.9000109.1K33 T125 G129K33-D127 WeakPolarHBondContact CE-OD2 3.22Å; K33-D127 HydrophobicContact CG-CB 4.27Å; K33-D127 IonicContact NZ-OD2 2.57Å; K33-D127 PolarHBondContact NZ-OD2 2.77Å; K33-D127 VanDerWaalsContact NZ-OD2 3.09Å; T125-D127 PolarHBondContact O-N 3.16Å; D127-G129 PolarHBondContact O-N 3.29Å; D127-G129 WeakPolarHBondContact OD1-CA 3.34Å; D127-G129 PolarHBondContact OD1-N 3.16Å
128M97.7Very high97.4Very high38 Ų3874.9 Ų74.919%0.18739%0.391CS..EExtended strand (participates in β ladder)trans-81.9-2176.868.31655100113.6V32 K33 L36 F74 L90 I109 F126V32-M128 HydrophobicContact CG2-CE 4.25Å; K33-M128 WeakPolarHBondContact O-CG 3.12Å; K33-M128 PolarHBondContact O-N 3.26Å; L36-M128 HydrophobicContact CD2-SD 4.3Å; F74-M128 HydrophobicContact CE1-CE 4.48Å; F74-M128 HydrophobicContact CE1-CG 4.49Å; F74-M128 HydrophobicContact CE1-SD 3.78Å; F74-M128 HydrophobicContact CZ-CE 3.68Å; F74-M128 HydrophobicContact CZ-CG 4.14Å; F74-M128 HydrophobicContact CZ-SD 3.53Å; F74-M128 VanDerWaalsContact CZ-SD 3.53Å; L90-M128 HydrophobicContact CD2-CE 3.35Å; I109-M128 HydrophobicContact CD1-CE 3.62Å; I109-M128 HydrophobicContact CD1-SD 4.34Å; F126-M128 HydrophobicContact CE1-CB 4.35Å
129G98.3Very high96.9Very high29 Ų2975.9 Ų75.930%0.29940%0.4SS..EExtended strand (participates in β ladder)trans66.7-137.7-173.600000112G34 V35 D127G34-G129 WeakPolarHBondContact CA-O 3.44Å; V35-G129 PolarHBondContact N-O 2.65Å; D127-G129 PolarHBondContact O-N 3.29Å; D127-G129 WeakPolarHBondContact OD1-CA 3.34Å; D127-G129 PolarHBondContact OD1-N 3.16Å
130T98.5Very high96.7Very high100 Ų10077.4 Ų77.461%0.61340%0.399SS*.EExtended strand (participates in β ladder)trans-109.2126.7-179.3-57.40000111.1V35 T37V35-T130 HydrophobicContact CB-CG2 4.33Å; V35-T130 CarbonylContact O-C 3.58Å; V35-T130 VanDerWaalsContact O-CA 3.29Å; V35-T130 WeakPolarHBondContact O-CA 3.47Å; T37-T130 HydrophobicContact CG2-CG2 3.79Å
131L98.3Very high96.5Very high39 Ų3975.2 Ų75.220%0.20439%0.392CS..EExtended strand (participates in β ladder)trans-115.9129.4178.6-173.262.7000111V35 L36 T37 L92 F107 I109 L133 F137V35-L131 PolarHBondContact O-N 3.3Å; L36-L131 WeakPolarHBondContact CA-O 3.44Å; L36-L131 HydrophobicContact CD2-CB 3.89Å; L36-L131 HydrophobicContact CD2-CD2 4.24Å; T37-L131 PolarHBondContact N-O 3.36Å; T37-L131 PolarHBondContact OG1-O 3.03Å; L92-L131 HydrophobicContact CD1-CD2 4.02Å; F107-L131 HydrophobicContact CE2-CD2 4.03Å; F107-L131 HydrophobicContact CZ-CD2 3.8Å; I109-L131 HydrophobicContact CD1-CD2 3.81Å; L131-L133 HydrophobicContact CD2-CD2 4.43Å; L131-F137 HydrophobicContact CD1-CE1 3.78Å; L131-F137 HydrophobicContact CD1-CZ 3.87Å; L131-F137 HydrophobicContact CD2-CE1 4.33Å; L131-F137 HydrophobicContact CD2-CZ 4.22Å; L131-F137 HydrophobicContact CG-CE1 4.36Å; L131-F137 HydrophobicContact CG-CZ 4.07Å
132N98.3Very high96.3Very high69 Ų6976.1 Ų76.137%0.36939%0.39SS..EExtended strand (participates in β ladder)trans-94.4113.9173.9-174.2-2.4000110.9T37 N39 G134 G135T37-N132 WeakPolarHBondContact OG1-CA 3.26Å; N39-N132 PolarHBondContact N-OD1 2.89Å; N39-N132 VanDerWaalsContact N-OD1 3.13Å; N132-G134 PolarHBondContact O-N 3.41Å; N132-G134 PolarHBondContact OD1-N 3.14Å; N132-G135 PolarHBondContact O-N 3.06Å
133L98.3Very high96Very high0 Ų078.7 Ų78.70%040%0.4CS..THydrogen-bonded Turntrans-73.5-4.9-178.2-59.4-179.9000114.1L36 T37 A43 V46 L92 H94 C96 F107 L131L36-L133 HydrophobicContact CB-CD1 4.1Å; L36-L133 HydrophobicContact CB-CG 4.37Å; L36-L133 HydrophobicContact CD1-CD1 4.31Å; L36-L133 HydrophobicContact CD2-CD2 4.33Å; T37-L133 WeakPolarHBondContact O-CB 3.35Å; T37-L133 WeakPolarHBondContact O-CG 3.04Å; T37-L133 PolarHBondContact O-N 3.28Å; A43-L133 HydrophobicContact CB-CD1 3.83Å; V46-L133 HydrophobicContact CG1-CD1 4.3Å; V46-L133 HydrophobicContact CG2-CD1 3.87Å; L92-L133 HydrophobicContact CD1-CD2 4.49Å; H94-L133 HydrophobicContact CB-CD1 3.75Å; H94-L133 PolarHBondContact CE1-O 2.87Å; C96-L133 HydrophobicContact CB-CB 3.72Å; F107-L133 HydrophobicContact CE1-CD2 3.99Å; F107-L133 HydrophobicContact CZ-CD2 3.95Å; L131-L133 HydrophobicContact CD2-CD2 4.43Å
134G96.7Very high95.6Very high28 Ų2874 Ų7429%0.28939%0.387SS..THydrogen-bonded Turntrans-75.2-8.8168.500000113.3D97 N132D97-G134 WeakPolarHBondContact OD2-CA 3.45Å; N132-G134 PolarHBondContact O-N 3.41Å; N132-G134 PolarHBondContact OD1-N 3.14Å
135G95.2Very high94.9Very high30 Ų3072.9 Ų72.931%0.30940%0.396SS..SBendtrans-70.4165.317200000113N132N132-G135 PolarHBondContact O-N 3.06Å
136K93.8Very high93.9Very high202 Ų20279.1 Ų79.188%0.87844%0.443SS*.  trans-99.8129.9167.6-68.7-173.7177.7-178.20109.2
137F95Very high93.6Very high55 Ų5581.1 Ų81.124%0.24146%0.456CS..  trans-108.8151.9-177.5-60.9-78.5000111.2F107 L131 E140F107-F137 HydrophobicContact CB-CB 4.13Å; F107-F137 HydrophobicContact CD1-CB 4.3Å; F107-F137 AromaticContact CD1-CD2 3.78Å; F107-F137 HydrophobicContact CD1-CD2 3.78Å; F107-F137 HydrophobicContact CD1-CE2 4.45Å; F107-F137 HydrophobicContact CD1-CG 4.14Å; F107-F137 HydrophobicContact CD2-CB 3.94Å; F107-F137 HydrophobicContact CD2-CD1 4.24Å; F107-F137 HydrophobicContact CD2-CD2 4.28Å; F107-F137 AromaticContact CD2-CG 3.87Å; F107-F137 HydrophobicContact CD2-CG 3.87Å; F107-F137 AromaticContact CE1-CD2 3.51Å; F107-F137 HydrophobicContact CE1-CD2 3.51Å; F107-F137 AromaticContact CE1-CE2 3.73Å; F107-F137 HydrophobicContact CE1-CE2 3.73Å; F107-F137 HydrophobicContact CE1-CG 4.1Å; F107-F137 HydrophobicContact CE1-CZ 4.47Å; F107-F137 HydrophobicContact CE2-CB 4.37Å; F107-F137 AromaticContact CE2-CD1 3.87Å; F107-F137 HydrophobicContact CE2-CD1 3.87Å; F107-F137 HydrophobicContact CE2-CD2 4.01Å; F107-F137 HydrophobicContact CE2-CE1 4.17Å; F107-F137 HydrophobicContact CE2-CE2 4.29Å; F107-F137 AromaticContact CE2-CG 3.79Å; F107-F137 HydrophobicContact CE2-CG 3.79Å; F107-F137 HydrophobicContact CE2-CZ 4.37Å; F107-F137 HydrophobicContact CG-CB 3.88Å; F107-F137 HydrophobicContact CG-CD2 4.16Å; F107-F137 HydrophobicContact CG-CG 4.03Å; F107-F137 HydrophobicContact CZ-CD1 4.18Å; F107-F137 AromaticContact CZ-CD2 3.62Å; F107-F137 HydrophobicContact CZ-CD2 3.62Å; F107-F137 HydrophobicContact CZ-CE1 4.19Å; F107-F137 AromaticContact CZ-CE2 3.62Å; F107-F137 HydrophobicContact CZ-CE2 3.62Å; F107-F137 AromaticContact CZ-CG 3.91Å; F107-F137 HydrophobicContact CZ-CG 3.91Å; F107-F137 AromaticContact CZ-CZ 3.91Å; F107-F137 HydrophobicContact CZ-CZ 3.91Å; L131-F137 HydrophobicContact CD1-CE1 3.78Å; L131-F137 HydrophobicContact CD1-CZ 3.87Å; L131-F137 HydrophobicContact CD2-CE1 4.33Å; L131-F137 HydrophobicContact CD2-CZ 4.22Å; L131-F137 HydrophobicContact CG-CE1 4.36Å; L131-F137 HydrophobicContact CG-CZ 4.07Å; F137-E140 HydrophobicContact CB-CB 4.47Å; F137-E140 WeakPolarHBondContact O-CB 3.38Å; F137-E140 PolarHBondContact O-N 2.98Å
138F91.8Very high93.4Very high198 Ų19881 Ų8187%0.86846%0.457SS*.THydrogen-bonded Turntrans-66.2139.4174.5-169.5-92.9000109.7E140F138-E140 PolarHBondContact O-N 2.93Å
139D88Confident93.1Very high114 Ų11483.4 Ų83.461%0.6147%0.472SS*.THydrogen-bonded Turntrans5729.9-178.1-160.329.1000114G141D139-G141 PolarHBondContact O-N 2.94Å
140E94Very high92.8Very high61 Ų6186.6 Ų86.629%0.28548%0.482SS..  trans-66.9119.3173.1-172.4-177.4179.300110.3K105 R106 F137 F138K105-E140 WeakPolarHBondContact CB-OE1 3.48Å; K105-E140 WeakPolarHBondContact CD-OE1 3.35Å; K105-E140 WeakPolarHBondContact CE-OE1 3.36Å; K105-E140 WeakPolarHBondContact CG-OE1 3.2Å; R106-E140 CarbonylContact O-C 3.5Å; R106-E140 WeakPolarHBondContact O-CA 3.13Å; F137-E140 HydrophobicContact CB-CB 4.47Å; F137-E140 WeakPolarHBondContact O-CB 3.38Å; F137-E140 PolarHBondContact O-N 2.98Å; F138-E140 PolarHBondContact O-N 2.93Å
141G93.7Very high92.5Very high19 Ų1985.8 Ų85.820%0.19647%0.474CS..EExtended strand (participates in β ladder)trans-112.8-170.2177.500000112.6K105 R106 D139K105-G141 WeakPolarHBondContact CA-O 3.4Å; R106-G141 PolarHBondContact N-O 2.8Å; R106-G141 PolarHBondContact O-N 3.38Å; D139-G141 PolarHBondContact O-N 2.94Å
142R93.4Very high92.1Very high144 Ų14488.9 Ų88.954%0.54349%0.491SS..EExtended strand (participates in β ladder)trans-124.4149.4171.1-65-171.8-178.3-942.6111.7L104 R106L104-R142 CarbonylContact O-C 3.57Å; L104-R142 WeakPolarHBondContact O-CA 3.49Å; R106-R142 PolarHBondContact NE-O 3.44Å
143E91.7Very high91.6Very high78 Ų7890.3 Ų90.336%0.36450%0.5SS..EExtended strand (participates in β ladder)trans-126.7118.2167.9-179170.4123.200108.1Y93 C103 L104Y93-E143 HydrophobicContact CD1-CB 4.33Å; Y93-E143 HydrophobicContact CE1-CB 4.44Å; Y93-E143 WeakPolarHBondContact CE1-OE2 3.5Å; C103-E143 CarbonylContact C-O 3.53Å; C103-E143 WeakPolarHBondContact CA-O 3.28Å; L104-E143 PolarHBondContact N-O 2.76Å; L104-E143 PolarHBondContact O-N 3.02Å
144C91.3Very high91.1Very high71 Ų7197.2 Ų97.248%0.4854%0.539SS..EExtended strand (participates in β ladder)trans-103.9140.6-179-530000110.4Q102 C103 S146Q102-C144 CarbonylContact O-C 3.57Å; Q102-C144 VanDerWaalsContact O-CA 3.23Å; Q102-C144 WeakPolarHBondContact O-CA 3.41Å; C103-C144 HydrophobicContact CB-CB 4.05Å; C103-C144 WeakPolarHBondContact CB-SG 3.45Å; C103-C144 WeakPolarHBondContact SG-CB 3.42Å; C103-C144 CovalentContact SG-SG 2.04Å; C103-C144 PolarHBondContact SG-SG 3.48Å; C144-S146 PolarHBondContact O-N 3.38Å
145A83.6Confident90.7Very high73 Ų73103 Ų10360%0.60356%0.56SS**  trans-63.1131168.700000109.1Q102Q102-A145 PolarHBondContact O-N 2.96Å
146S76.5Confident90.2Very high191 Ų191109.6 Ų109.6100%1.33658%0.582SS**  trans-66.9017458.20000112C144C144-S146 PolarHBondContact O-N 3.38Å

Retrieved 146 of 146 residues in 275.8 ms (Link to these results)