A0A077YVT6_TRITR Loading...

DUF4440 domain-containing protein

AlphaFold DB , UniProt , Accession A0A077YVT6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 136 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
1M73Confident86Confident208 Ų20884.7 Ų84.7100%1.02553%0.525SS*.  0-53.60-66.3-57.4-82.600113.1A3 A4 Q5M1-A3 PolarHBondContact O-N 2.93Å; M1-A4 PolarHBondContact O-N 2.9Å; M1-Q5 PolarHBondContact O-N 2.75Å; M1-Q5 VanDerWaalsContact O-N 3.17Å
2A85.2Confident86.8Confident83 Ų8382.8 Ų82.869%0.68652%0.523SS*.Hα-helixtrans-56.6-44.9-176.400000114.9A4 Q5 A6A2-A4 PolarHBondContact O-N 3.19Å; A2-Q5 PolarHBondContact O-N 3.28Å; A2-A6 PolarHBondContact O-N 3.44Å
3A82.5Confident87.4Confident82 Ų8281.5 Ų81.568%0.67851%0.505SS*.Hα-helixtrans-62.6-41179.600000113.1M1 Q5 A6 A7M1-A3 PolarHBondContact O-N 2.93Å; A3-Q5 VanDerWaalsContact C-N 3.3Å; A3-Q5 PolarHBondContact O-N 3.36Å; A3-A6 PolarHBondContact O-N 3.45Å; A3-A7 WeakPolarHBondContact O-CB 3.42Å; A3-A7 PolarHBondContact O-N 3.36Å
4A82.9Confident88.1Confident56 Ų5675.6 Ų75.646%0.46347%0.469SS..Hα-helixtrans-65.3-36.1176.300000111.7M1 A2 K8M1-A4 PolarHBondContact O-N 2.9Å; A2-A4 PolarHBondContact O-N 3.19Å; A4-K8 VanDerWaalsContact O-CG 3.27Å; A4-K8 WeakPolarHBondContact O-CG 2.99Å; A4-K8 PolarHBondContact O-N 3.05Å
5Q85.4Confident88.7Confident115 Ų11580.7 Ų80.754%0.53748%0.481SS..Hα-helixtrans-69-44.9175.2-170.662.716.100111.7M1 A2 A3 A7 K8 S9M1-Q5 PolarHBondContact O-N 2.75Å; M1-Q5 VanDerWaalsContact O-N 3.17Å; A2-Q5 PolarHBondContact O-N 3.28Å; A3-Q5 VanDerWaalsContact C-N 3.3Å; A3-Q5 PolarHBondContact O-N 3.36Å; Q5-A7 VanDerWaalsContact C-N 3.33Å; Q5-A7 PolarHBondContact O-N 2.9Å; Q5-K8 PolarHBondContact O-N 3.24Å; Q5-S9 PolarHBondContact O-N 3.08Å; Q5-S9 PolarHBondContact O-OG 3.12Å
6A85.3Confident89.2Confident63 Ų6382.4 Ų82.452%0.52148%0.483SS..Hα-helixtrans-60-42.2176.100000111.9A2 A3 S9 S10A2-A6 PolarHBondContact O-N 3.44Å; A3-A6 PolarHBondContact O-N 3.45Å; A6-S9 PolarHBondContact O-N 2.83Å; A6-S10 VanDerWaalsContact O-CB 3.28Å; A6-S10 WeakPolarHBondContact O-CB 3.13Å; A6-S10 PolarHBondContact O-N 2.93Å
7A85Confident89.6Confident42 Ų4279.4 Ų79.435%0.34746%0.463SS..Hα-helixtrans-62.5-45.417500000112.1A3 Q5 S9 S10 L11A3-A7 WeakPolarHBondContact O-CB 3.42Å; A3-A7 PolarHBondContact O-N 3.36Å; Q5-A7 VanDerWaalsContact C-N 3.33Å; Q5-A7 PolarHBondContact O-N 2.9Å; A7-S9 PolarHBondContact O-N 3.42Å; A7-S10 WeakPolarHBondContact O-CB 3.4Å; A7-S10 PolarHBondContact O-N 3.42Å; A7-L11 WeakPolarHBondContact O-CG 3.48Å; A7-L11 PolarHBondContact O-N 3.06Å
8K87.4Confident90.1Very high140 Ų14075.3 Ų75.361%0.60944%0.439SS*.Hα-helixtrans-59.3-46.3175.6-75.4174.8-178-176.10112.1A4 Q5 S10 L11 A12A4-K8 VanDerWaalsContact O-CG 3.27Å; A4-K8 WeakPolarHBondContact O-CG 2.99Å; A4-K8 PolarHBondContact O-N 3.05Å; Q5-K8 PolarHBondContact O-N 3.24Å; K8-S10 VanDerWaalsContact C-N 3.32Å; K8-S10 PolarHBondContact O-N 3.23Å; K8-L11 PolarHBondContact O-N 3.17Å; K8-A12 WeakPolarHBondContact O-CB 3.31Å; K8-A12 PolarHBondContact O-N 3.47Å
9S90.5Very high90.4Very high66 Ų6673.5 Ų73.546%0.46244%0.439SS..Hα-helixtrans-62.5-40176.4-64.60000112Q5 A6 A7 A12 F13Q5-S9 PolarHBondContact O-N 3.08Å; Q5-S9 PolarHBondContact O-OG 3.12Å; A6-S9 PolarHBondContact O-N 2.83Å; A7-S9 PolarHBondContact O-N 3.42Å; S9-A12 PolarHBondContact O-N 2.97Å; S9-F13 WeakPolarHBondContact O-CB 3.48Å; S9-F13 PolarHBondContact O-N 3.47Å
10S92.9Very high90.7Very high24 Ų2475.1 Ų75.117%0.16844%0.44CS..Hα-helixtrans-61-44.8176.5-170.10000112.1A6 A7 K8 A14 F91A6-S10 VanDerWaalsContact O-CB 3.28Å; A6-S10 WeakPolarHBondContact O-CB 3.13Å; A6-S10 PolarHBondContact O-N 2.93Å; A7-S10 WeakPolarHBondContact O-CB 3.4Å; A7-S10 PolarHBondContact O-N 3.42Å; K8-S10 VanDerWaalsContact C-N 3.32Å; K8-S10 PolarHBondContact O-N 3.23Å; S10-A14 WeakPolarHBondContact O-CB 3.5Å; S10-A14 PolarHBondContact O-N 2.93Å; S10-F91 WeakPolarHBondContact O-CE1 3.29Å; S10-F91 WeakPolarHBondContact OG-CE1 3.28Å; S10-F91 WeakPolarHBondContact OG-CZ 3.38Å
11L96Very high91Very high53 Ų5372.4 Ų72.428%0.27742%0.423SS..Hα-helixtrans-69.4-38.6177.6-68.2175.2000112.6A7 K8 A14 K15 F91A7-L11 WeakPolarHBondContact O-CG 3.48Å; A7-L11 PolarHBondContact O-N 3.06Å; K8-L11 PolarHBondContact O-N 3.17Å; L11-A14 PolarHBondContact O-N 3.13Å; L11-K15 WeakPolarHBondContact O-CB 3.46Å; L11-K15 PolarHBondContact O-N 2.82Å; L11-F91 HydrophobicContact CD2-CD1 4.27Å; L11-F91 HydrophobicContact CD2-CE1 4.33Å
12A95.7Very high92.1Very high61 Ų6164.4 Ų64.450%0.50438%0.381SS..Hα-helixtrans-61.4-46.717600000111.3K8 S9 K15 E16K8-A12 WeakPolarHBondContact O-CB 3.31Å; K8-A12 PolarHBondContact O-N 3.47Å; S9-A12 PolarHBondContact O-N 2.97Å; A12-K15 PolarHBondContact O-N 2.81Å; A12-E16 PolarHBondContact O-N 2.77Å; A12-E16 VanDerWaalsContact O-N 3.1Å
13F94.7Very high92.7Very high66 Ų6662.6 Ų62.629%0.28937%0.371SS..Hα-helixtrans-57.3-50.5173.1169.4-93000111.6S9 K15 E16 Q17 K117 G120 M122S9-F13 WeakPolarHBondContact O-CB 3.48Å; S9-F13 PolarHBondContact O-N 3.47Å; F13-K15 VanDerWaalsContact C-N 3.35Å; F13-K15 PolarHBondContact O-N 3.08Å; F13-E16 PolarHBondContact O-N 2.96Å; F13-Q17 HydrophobicContact CD1-CG 4.4Å; F13-Q17 HydrophobicContact CD2-CG 4.02Å; F13-Q17 HydrophobicContact CE1-CG 4.04Å; F13-Q17 HydrophobicContact CE2-CG 3.64Å; F13-Q17 HydrophobicContact CG-CG 4.39Å; F13-Q17 HydrophobicContact CZ-CG 3.65Å; F13-Q17 VanDerWaalsContact O-CG 3.31Å; F13-Q17 WeakPolarHBondContact O-CG 3.27Å; F13-Q17 PolarHBondContact O-N 3.32Å; F13-K117 HydrophobicContact CE1-CD 3.6Å; F13-K117 HydrophobicContact CE1-CG 4.16Å; F13-K117 HydrophobicContact CZ-CD 3.99Å; F13-K117 HydrophobicContact CZ-CG 4.45Å; F13-G120 WeakPolarHBondContact CZ-O 3.36Å; F13-M122 HydrophobicContact CE1-CG 4.17Å; F13-M122 HydrophobicContact CE1-SD 4.16Å
14A97Very high93.4Very high0 Ų061 Ų610%035%0.353CS..Hα-helixtrans-60.3-44.5-178.700000111.9S10 L11 E16 Q17 I18 F91 M122S10-A14 WeakPolarHBondContact O-CB 3.5Å; S10-A14 PolarHBondContact O-N 2.93Å; L11-A14 PolarHBondContact O-N 3.13Å; A14-E16 PolarHBondContact O-N 2.77Å; A14-Q17 PolarHBondContact O-N 3.01Å; A14-I18 HydrophobicContact CB-CD1 4.48Å; A14-I18 VanDerWaalsContact O-CB 3.28Å; A14-I18 WeakPolarHBondContact O-CB 3.48Å; A14-I18 WeakPolarHBondContact O-CG1 3.36Å; A14-I18 PolarHBondContact O-N 2.94Å; A14-F91 HydrophobicContact CB-CD1 3.5Å; A14-F91 HydrophobicContact CB-CD2 4.33Å; A14-F91 HydrophobicContact CB-CE1 3.48Å; A14-F91 VanDerWaalsContact CB-CE1 3.48Å; A14-F91 HydrophobicContact CB-CE2 4.31Å; A14-F91 HydrophobicContact CB-CG 3.93Å; A14-F91 HydrophobicContact CB-CZ 3.89Å; A14-M122 HydrophobicContact CB-CE 4.29Å
15K96.6Very high94Very high151 Ų15158.7 Ų58.766%0.65733%0.333SS*.Hα-helixtrans-58.3-46.8178.1-174.5177.7179.7178.80111.8L11 A12 F13 G19 L84L11-K15 WeakPolarHBondContact O-CB 3.46Å; L11-K15 PolarHBondContact O-N 2.82Å; A12-K15 PolarHBondContact O-N 2.81Å; F13-K15 VanDerWaalsContact C-N 3.35Å; F13-K15 PolarHBondContact O-N 3.08Å; K15-G19 PolarHBondContact O-N 2.96Å; K15-L84 HydrophobicContact CB-CD2 3.73Å; K15-L84 HydrophobicContact CG-CD2 4.33Å
16E96.6Very high94.5Very high108 Ų10855.2 Ų55.251%0.50532%0.317SS..Hα-helixtrans-63.1-48.4178.8-171.4-165.1148.700111.5A12 F13 A14 G19 K20A12-E16 PolarHBondContact O-N 2.77Å; A12-E16 VanDerWaalsContact O-N 3.1Å; F13-E16 PolarHBondContact O-N 2.96Å; A14-E16 PolarHBondContact O-N 2.77Å; E16-G19 PolarHBondContact O-N 2.84Å; E16-K20 PolarHBondContact O-N 3.02Å; E16-K20 VanDerWaalsContact O-N 3.12Å; E16-K20 WeakPolarHBondContact OE1-CE 3.19Å; E16-K20 IonicContact OE1-NZ 2.8Å; E16-K20 PolarHBondContact OE1-NZ 3Å
17Q97.1Very high95Very high32 Ų3255.4 Ų55.415%0.1531%0.309CS..Hα-helixtrans-69.6-39.6-176.3-64.3-59.8-40.900112.3F13 A14 G19 K20 Q21 M122F13-Q17 HydrophobicContact CD1-CG 4.4Å; F13-Q17 HydrophobicContact CD2-CG 4.02Å; F13-Q17 HydrophobicContact CE1-CG 4.04Å; F13-Q17 HydrophobicContact CE2-CG 3.64Å; F13-Q17 HydrophobicContact CG-CG 4.39Å; F13-Q17 HydrophobicContact CZ-CG 3.65Å; F13-Q17 VanDerWaalsContact O-CG 3.31Å; F13-Q17 WeakPolarHBondContact O-CG 3.27Å; F13-Q17 PolarHBondContact O-N 3.32Å; A14-Q17 PolarHBondContact O-N 3.01Å; Q17-G19 VanDerWaalsContact C-N 3.32Å; Q17-G19 PolarHBondContact O-N 2.92Å; Q17-K20 WeakPolarHBondContact O-CB 3.34Å; Q17-K20 PolarHBondContact O-N 3.47Å; Q17-Q21 WeakPolarHBondContact O-CG 3.18Å; Q17-Q21 PolarHBondContact O-N 3.39Å; Q17-Q21 VanDerWaalsContact O-N 3.11Å; Q17-M122 HydrophobicContact CB-CB 3.94Å; Q17-M122 HydrophobicContact CB-CG 3.57Å; Q17-M122 HydrophobicContact CG-CG 4.39Å
18I97.6Very high95.6Very high5 Ų553.4 Ų53.43%0.02629%0.293CS..Hα-helixtrans-62.7-41.5174.1-70.5168.1000110.4A14 K20 Q21 Y22 L84 W115 M122A14-I18 HydrophobicContact CB-CD1 4.48Å; A14-I18 VanDerWaalsContact O-CB 3.28Å; A14-I18 WeakPolarHBondContact O-CB 3.48Å; A14-I18 WeakPolarHBondContact O-CG1 3.36Å; A14-I18 PolarHBondContact O-N 2.94Å; I18-K20 VanDerWaalsContact C-N 3.3Å; I18-K20 PolarHBondContact O-N 3.23Å; I18-Q21 WeakPolarHBondContact O-CB 3.32Å; I18-Q21 PolarHBondContact O-N 2.8Å; I18-Q21 VanDerWaalsContact O-N 3.08Å; I18-Y22 HydrophobicContact CG2-CD2 3.98Å; I18-Y22 HydrophobicContact CG2-CE2 3.47Å; I18-Y22 VanDerWaalsContact CG2-CE2 3.47Å; I18-Y22 WeakPolarHBondContact O-CD2 3.44Å; I18-Y22 PolarHBondContact O-N 3.36Å; I18-Y22 VanDerWaalsContact O-N 3.08Å; I18-L84 HydrophobicContact CD1-CD1 3.72Å; I18-W115 HydrophobicContact CB-CZ2 4.5Å; I18-W115 HydrophobicContact CD1-CB 4.43Å; I18-W115 HydrophobicContact CD1-CD2 3.92Å; I18-W115 HydrophobicContact CD1-CG 3.79Å; I18-W115 HydrophobicContact CG1-CD2 3.76Å; I18-W115 HydrophobicContact CG1-CE3 3.98Å; I18-W115 HydrophobicContact CG1-CG 4.15Å; I18-W115 HydrophobicContact CG1-CH2 4.43Å; I18-W115 HydrophobicContact CG1-CZ2 4.23Å; I18-W115 HydrophobicContact CG1-CZ3 4.31Å; I18-W115 HydrophobicContact CG2-CH2 4.07Å; I18-W115 HydrophobicContact CG2-CZ2 3.67Å; I18-M122 HydrophobicContact CD1-CE 4.33Å; I18-M122 HydrophobicContact CG1-CB 4.1Å; I18-M122 HydrophobicContact CG1-CG 4.41Å
19G96.1Very high96.1Very high42 Ų4246.9 Ų46.943%0.43326%0.264SS..Hα-helixtrans-55.9-42.8173.600000113K15 E16 Q17 Q21 Y22 G23K15-G19 PolarHBondContact O-N 2.96Å; E16-G19 PolarHBondContact O-N 2.84Å; Q17-G19 VanDerWaalsContact C-N 3.32Å; Q17-G19 PolarHBondContact O-N 2.92Å; G19-Q21 PolarHBondContact O-N 2.65Å; G19-Y22 PolarHBondContact O-N 3.5Å; G19-G23 PolarHBondContact O-N 3.03Å
20K96.8Very high96.3Very high105 Ų10549.7 Ų49.746%0.45727%0.27SS..Hα-helixtrans-62.3-41.1174.5-68172.8-174167.30112E16 Q17 I18 Y22 G23 V24E16-K20 PolarHBondContact O-N 3.02Å; E16-K20 VanDerWaalsContact O-N 3.12Å; E16-K20 WeakPolarHBondContact OE1-CE 3.19Å; E16-K20 IonicContact OE1-NZ 2.8Å; E16-K20 PolarHBondContact OE1-NZ 3Å; Q17-K20 WeakPolarHBondContact O-CB 3.34Å; Q17-K20 PolarHBondContact O-N 3.47Å; I18-K20 VanDerWaalsContact C-N 3.3Å; I18-K20 PolarHBondContact O-N 3.23Å; K20-Y22 VanDerWaalsContact C-N 3.29Å; K20-Y22 PolarHBondContact O-N 3.02Å; K20-G23 PolarHBondContact O-N 3.45Å; K20-G23 VanDerWaalsContact O-N 3.11Å; K20-V24 WeakPolarHBondContact O-CG2 3.27Å; K20-V24 PolarHBondContact O-N 2.84Å
21Q97.5Very high96.4Very high18 Ų1855.8 Ų55.88%0.08429%0.293CS..Hα-helixtrans-62.9-35.5177.8-64.3-62.2-300112.6Q17 I18 G19 G23 V24 L25 I40 W115 M122Q17-Q21 WeakPolarHBondContact O-CG 3.18Å; Q17-Q21 PolarHBondContact O-N 3.39Å; Q17-Q21 VanDerWaalsContact O-N 3.11Å; I18-Q21 WeakPolarHBondContact O-CB 3.32Å; I18-Q21 PolarHBondContact O-N 2.8Å; I18-Q21 VanDerWaalsContact O-N 3.08Å; G19-Q21 PolarHBondContact O-N 2.65Å; Q21-G23 VanDerWaalsContact C-N 3.32Å; Q21-G23 PolarHBondContact O-N 2.89Å; Q21-V24 PolarHBondContact O-N 2.98Å; Q21-L25 WeakPolarHBondContact O-CB 3.46Å; Q21-L25 PolarHBondContact O-N 3.21Å; Q21-I40 HydrophobicContact CB-CB 4.35Å; Q21-I40 HydrophobicContact CB-CG2 4.25Å; Q21-W115 HydrophobicContact CB-CH2 4.1Å; Q21-W115 HydrophobicContact CB-CZ3 4.06Å; Q21-W115 HydrophobicContact CG-CZ3 4.03Å; Q21-M122 VanDerWaalsContact CG-O 3.26Å; Q21-M122 WeakPolarHBondContact CG-O 3.28Å; Q21-M122 PolarHBondContact NE2-O 3.09Å
22Y96.6Very high96.4Very high40 Ų4054.4 Ų54.416%0.15729%0.292CS..Hα-helixtrans-63.3-38.4173.1-72.1-51.1000112.8I18 G19 K20 L25 M26 I79 E93 K113I18-Y22 HydrophobicContact CG2-CD2 3.98Å; I18-Y22 HydrophobicContact CG2-CE2 3.47Å; I18-Y22 VanDerWaalsContact CG2-CE2 3.47Å; I18-Y22 WeakPolarHBondContact O-CD2 3.44Å; I18-Y22 PolarHBondContact O-N 3.36Å; I18-Y22 VanDerWaalsContact O-N 3.08Å; G19-Y22 PolarHBondContact O-N 3.5Å; K20-Y22 VanDerWaalsContact C-N 3.29Å; K20-Y22 PolarHBondContact O-N 3.02Å; Y22-L25 PolarHBondContact O-N 3.29Å; Y22-M26 WeakPolarHBondContact O-CG 3.45Å; Y22-M26 PolarHBondContact O-N 3.23Å; Y22-I79 HydrophobicContact CD1-CD1 3.73Å; Y22-I79 HydrophobicContact CE1-CD1 3.35Å; Y22-I79 HydrophobicContact CE2-CD1 4.27Å; Y22-I79 HydrophobicContact CG-CD1 4.34Å; Y22-E93 PolarHBondContact OH-OE1 3.39Å; Y22-E93 PolarHBondContact OH-OE2 3.04Å; Y22-E93 VanDerWaalsContact OH-OE2 3.1Å; Y22-K113 PolarHBondContact OH-NZ 3.19Å
23G96.1Very high96.5Very high45 Ų4554.8 Ų54.846%0.46429%0.286SS..Hα-helixtrans-61.9-45.4172.100000112.7G19 K20 Q21 M26 N27G19-G23 PolarHBondContact O-N 3.03Å; K20-G23 PolarHBondContact O-N 3.45Å; K20-G23 VanDerWaalsContact O-N 3.11Å; Q21-G23 VanDerWaalsContact C-N 3.32Å; Q21-G23 PolarHBondContact O-N 2.89Å; G23-M26 PolarHBondContact O-N 2.89Å; G23-N27 VanDerWaalsContact O-CB 3.3Å; G23-N27 WeakPolarHBondContact O-CB 3.47Å; G23-N27 PolarHBondContact O-N 2.79Å
24V97.1Very high96.6Very high50 Ų5053.7 Ų53.730%0.30328%0.28SS..Hα-helixtrans-59.1-49.4176.5174.20000111K20 Q21 N27 G28 V36 T39 I40K20-V24 WeakPolarHBondContact O-CG2 3.27Å; K20-V24 PolarHBondContact O-N 2.84Å; Q21-V24 PolarHBondContact O-N 2.98Å; V24-N27 PolarHBondContact O-N 3.24Å; V24-G28 PolarHBondContact O-N 2.84Å; V24-V36 HydrophobicContact CG1-CG1 3.86Å; V24-T39 WeakPolarHBondContact CG1-OG1 3.17Å; V24-I40 HydrophobicContact CB-CG2 4.2Å; V24-I40 HydrophobicContact CG1-CG2 4.01Å
25L96.7Very high96.6Very high7 Ų759.8 Ų59.84%0.03731%0.308CS..Hα-helixtrans-56.1-53.8177.9174.357.6000111.4Q21 Y22 N27 G28 Y29 T37 I40 W65Q21-L25 WeakPolarHBondContact O-CB 3.46Å; Q21-L25 PolarHBondContact O-N 3.21Å; Y22-L25 PolarHBondContact O-N 3.29Å; L25-N27 PolarHBondContact O-N 2.76Å; L25-G28 PolarHBondContact O-N 2.82Å; L25-Y29 WeakPolarHBondContact O-CB 3.37Å; L25-Y29 PolarHBondContact O-N 2.83Å; L25-T37 HydrophobicContact CD1-CG2 4.11Å; L25-I40 HydrophobicContact CB-CD1 4Å; L25-I40 HydrophobicContact CB-CG2 4.2Å; L25-I40 HydrophobicContact CD1-CD1 4.02Å; L25-I40 HydrophobicContact CD2-CD1 3.87Å; L25-I40 HydrophobicContact CG-CD1 4.15Å; L25-W65 HydrophobicContact CD1-CD2 3.79Å; L25-W65 VanDerWaalsContact CD1-CE2 3.48Å; L25-W65 HydrophobicContact CD1-CE3 4.17Å; L25-W65 HydrophobicContact CD1-CG 4.36Å; L25-W65 HydrophobicContact CD1-CH2 4Å; L25-W65 HydrophobicContact CD1-CZ2 3.61Å; L25-W65 HydrophobicContact CD1-CZ3 4.26Å; L25-W65 HydrophobicContact CD2-CH2 3.59Å; L25-W65 HydrophobicContact CD2-CZ2 3.63Å; L25-W65 HydrophobicContact CD2-CZ3 4.33Å; L25-W65 HydrophobicContact CG-CH2 4.33Å; L25-W65 HydrophobicContact CG-CZ2 4.25Å
26M95.3Very high96.6Very high42 Ų4254.1 Ų54.121%0.20729%0.286CS..Hα-helixtrans-67.2-38.2-175-68.8-52.5-57.800112.2Y22 G23 Y29 Q30 I77Y22-M26 WeakPolarHBondContact O-CG 3.45Å; Y22-M26 PolarHBondContact O-N 3.23Å; G23-M26 PolarHBondContact O-N 2.89Å; M26-Y29 PolarHBondContact O-N 3.36Å; M26-Q30 WeakPolarHBondContact O-CB 3.48Å; M26-Q30 VanDerWaalsContact O-CG 3.24Å; M26-Q30 WeakPolarHBondContact O-CG 3.48Å; M26-Q30 PolarHBondContact O-N 3.37Å; M26-I77 HydrophobicContact CE-CG1 4.3Å; M26-I77 HydrophobicContact SD-CB 4.32Å; M26-I77 HydrophobicContact SD-CD1 3.91Å; M26-I77 HydrophobicContact SD-CG1 4.09Å
27N96.9Very high96.6Very high67 Ų6749 Ų4936%0.35826%0.262SS..Hα-helixtrans-62.5-46.2174.7169.373.7000111.8G23 V24 L25 K31G23-N27 VanDerWaalsContact O-CB 3.3Å; G23-N27 WeakPolarHBondContact O-CB 3.47Å; G23-N27 PolarHBondContact O-N 2.79Å; V24-N27 PolarHBondContact O-N 3.24Å; L25-N27 PolarHBondContact O-N 2.76Å; N27-K31 WeakPolarHBondContact O-CB 3.18Å; N27-K31 WeakPolarHBondContact O-CG 3.32Å; N27-K31 PolarHBondContact O-N 3.24Å; N27-K31 WeakPolarHBondContact OD1-CE 3.22Å; N27-K31 PolarHBondContact OD1-NZ 2.91Å
28G97.4Very high96.6Very high0 Ų047.7 Ų47.70%026%0.256CS..Hα-helixtrans-62.3-45.8175.700000111.8V24 L25 Q30 K31 G32 D33V24-G28 PolarHBondContact O-N 2.84Å; L25-G28 PolarHBondContact O-N 2.82Å; G28-Q30 PolarHBondContact O-N 2.9Å; G28-K31 PolarHBondContact O-N 2.88Å; G28-G32 PolarHBondContact O-N 2.85Å; G28-D33 PolarHBondContact O-N 2.87Å
29Y96.6Very high96.6Very high2 Ų250 Ų501%0.00827%0.271CS..Hα-helixtrans-62.9-43.7-177.5-174.7-84.7000112.7L25 M26 G32 W34 T37 W65 L68 K69 V74L25-Y29 WeakPolarHBondContact O-CB 3.37Å; L25-Y29 PolarHBondContact O-N 2.83Å; M26-Y29 PolarHBondContact O-N 3.36Å; Y29-G32 PolarHBondContact O-N 2.9Å; Y29-W34 AromaticContact CD2-CZ3 3.87Å; Y29-W34 HydrophobicContact CD2-CZ3 3.87Å; Y29-W34 HydrophobicContact CE2-CZ3 4.24Å; Y29-W34 HydrophobicContact CG-CZ3 4.45Å; Y29-T37 VanDerWaalsContact N-CG2 3.27Å; Y29-W65 HydrophobicContact CD2-CB 4.31Å; Y29-W65 HydrophobicContact CD2-CD2 4.44Å; Y29-W65 AromaticContact CD2-CE3 3.75Å; Y29-W65 HydrophobicContact CD2-CE3 3.75Å; Y29-W65 AromaticContact CE2-CE3 3.92Å; Y29-W65 HydrophobicContact CE2-CE3 3.92Å; Y29-W65 WeakPolarHBondContact CE2-O 3.38Å; Y29-L68 HydrophobicContact CE2-CD2 4.25Å; Y29-K69 HydrophobicContact CE1-CD 4.46Å; Y29-K69 HydrophobicContact CE2-CB 4.09Å; Y29-K69 PolarHBondContact O-NZ 3.21Å; Y29-K69 VanDerWaalsContact O-NZ 3.09Å; Y29-K69 WeakPolarHBondContact OH-CA 3.39Å; Y29-K69 VanDerWaalsContact OH-CB 3.29Å; Y29-K69 WeakPolarHBondContact OH-CB 3.48Å; Y29-K69 PolarHBondContact OH-N 3.26Å; Y29-V74 WeakPolarHBondContact CE1-O 3.43Å; Y29-V74 WeakPolarHBondContact OH-CB 3.19Å; Y29-V74 PolarHBondContact OH-O 3.47Å
30Q95Very high96.7Very high126 Ų12648 Ų4859%0.58925%0.251SS*.Hα-helixtrans-62.9-44.6177-75.4173-1700111.6M26 G28 G32 K69M26-Q30 WeakPolarHBondContact O-CB 3.48Å; M26-Q30 VanDerWaalsContact O-CG 3.24Å; M26-Q30 WeakPolarHBondContact O-CG 3.48Å; M26-Q30 PolarHBondContact O-N 3.37Å; G28-Q30 PolarHBondContact O-N 2.9Å; Q30-G32 PolarHBondContact O-N 3.17Å; Q30-K69 PolarHBondContact O-NZ 2.89Å
31K96.2Very high96.7Very high151 Ų15143 Ų4366%0.65723%0.229SC*.Hα-helixtrans-74.8-10.1178.9-66.8177.2178.2169.90114N27 G28 D33N27-K31 WeakPolarHBondContact O-CB 3.18Å; N27-K31 WeakPolarHBondContact O-CG 3.32Å; N27-K31 PolarHBondContact O-N 3.24Å; N27-K31 WeakPolarHBondContact OD1-CE 3.22Å; N27-K31 PolarHBondContact OD1-NZ 2.91Å; G28-K31 PolarHBondContact O-N 2.88Å; K31-D33 HydrophobicContact CB-CB 4.38Å; K31-D33 PolarHBondContact O-N 2.63Å
32G96Very high96.8Very high25 Ų2542.2 Ų42.226%0.25823%0.225SC..THydrogen-bonded Turntrans67.920.4-170.700000112.9G28 Y29 Q30 W34G28-G32 PolarHBondContact O-N 2.85Å; Y29-G32 PolarHBondContact O-N 2.9Å; Q30-G32 PolarHBondContact O-N 3.17Å; G32-W34 PolarHBondContact O-N 2.78Å; G32-W34 PolarHBondContact O-NE1 3.3Å
33D97.6Very high96.7Very high69 Ų6943.8 Ų43.837%0.36924%0.24SC..  trans-86.788.2174.6-172.2-23.2000109G28 K31 H35 V36 T37G28-D33 PolarHBondContact O-N 2.87Å; K31-D33 HydrophobicContact CB-CB 4.38Å; K31-D33 PolarHBondContact O-N 2.63Å; D33-H35 VanDerWaalsContact C-N 3.28Å; D33-H35 PolarHBondContact O-N 3.1Å; D33-H35 PolarHBondContact OD1-N 2.9Å; D33-V36 HydrophobicContact CB-CB 4.19Å; D33-V36 HydrophobicContact CB-CG2 4.25Å; D33-V36 PolarHBondContact O-N 3.41Å; D33-V36 WeakPolarHBondContact OD1-CG2 2.92Å; D33-V36 PolarHBondContact OD1-N 3.42Å; D33-V36 WeakPolarHBondContact OD2-CG2 3.31Å; D33-T37 PolarHBondContact O-N 2.86Å
34W96.7Very high96.6Very high43 Ų4347 Ų4716%0.16325%0.247CC..Hα-helixtrans-71-26.9-176.3-46.6124.2000112.6Y29 G32 V36 T37 S38 Q62 W65 K66 K69Y29-W34 AromaticContact CD2-CZ3 3.87Å; Y29-W34 HydrophobicContact CD2-CZ3 3.87Å; Y29-W34 HydrophobicContact CE2-CZ3 4.24Å; Y29-W34 HydrophobicContact CG-CZ3 4.45Å; G32-W34 PolarHBondContact O-N 2.78Å; G32-W34 PolarHBondContact O-NE1 3.3Å; W34-V36 VanDerWaalsContact C-N 3.31Å; W34-V36 PolarHBondContact O-N 3.1Å; W34-T37 WeakPolarHBondContact CA-OG1 3.39Å; W34-T37 HydrophobicContact CE3-CG2 4.06Å; W34-T37 HydrophobicContact CZ3-CG2 4.44Å; W34-T37 PolarHBondContact O-N 3.44Å; W34-T37 PolarHBondContact O-OG1 3.33Å; W34-S38 PolarHBondContact O-N 2.99Å; W34-S38 VanDerWaalsContact O-N 3.11Å; W34-Q62 HydrophobicContact CB-CG 3.31Å; W34-Q62 HydrophobicContact CG-CG 4.5Å; W34-Q62 WeakPolarHBondContact O-CG 3.43Å; W34-Q62 PolarHBondContact O-OE1 2.86Å; W34-W65 HydrophobicContact CE3-CB 4.09Å; W34-W65 HydrophobicContact CZ3-CB 4.11Å; W34-K66 HydrophobicContact CD2-CB 4.01Å; W34-K66 HydrophobicContact CG-CB 4.31Å; W34-K66 HydrophobicContact CZ2-CB 4.09Å; W34-K66 HydrophobicContact CZ2-CG 4.05Å; W34-K69 HydrophobicContact CH2-CB 3.78Å; W34-K69 HydrophobicContact CH2-CD 3.43Å; W34-K69 VanDerWaalsContact CH2-CD 3.43Å; W34-K69 HydrophobicContact CH2-CG 4.25Å; W34-K69 HydrophobicContact CZ2-CB 4.44Å; W34-K69 HydrophobicContact CZ2-CD 3.94Å
35H96.4Very high96.7Very high128 Ų12844.8 Ų44.859%0.59323%0.233SC*.Hα-helixtrans-60.2-48.3172.6-177.568.8000109.6D33 T37 S38 T39D33-H35 VanDerWaalsContact C-N 3.28Å; D33-H35 PolarHBondContact O-N 3.1Å; D33-H35 PolarHBondContact OD1-N 2.9Å; H35-T37 PolarHBondContact O-N 3.35Å; H35-S38 PolarHBondContact O-N 2.88Å; H35-S38 PolarHBondContact O-OG 3.45Å; H35-T39 WeakPolarHBondContact O-CG2 3.37Å; H35-T39 PolarHBondContact O-N 2.74Å
36V97.2Very high96.8Very high31 Ų3145.9 Ų45.919%0.18824%0.24CC..Hα-helixtrans-59.7-43.4175.6171.70000112.1V24 D33 W34 S38 T39V24-V36 HydrophobicContact CG1-CG1 3.86Å; D33-V36 HydrophobicContact CB-CB 4.19Å; D33-V36 HydrophobicContact CB-CG2 4.25Å; D33-V36 PolarHBondContact O-N 3.41Å; D33-V36 WeakPolarHBondContact OD1-CG2 2.92Å; D33-V36 PolarHBondContact OD1-N 3.42Å; D33-V36 WeakPolarHBondContact OD2-CG2 3.31Å; W34-V36 VanDerWaalsContact C-N 3.31Å; W34-V36 PolarHBondContact O-N 3.1Å; V36-S38 PolarHBondContact O-N 3.16Å; V36-T39 WeakPolarHBondContact O-CB 3.26Å; V36-T39 PolarHBondContact O-N 3.35Å; V36-T39 VanDerWaalsContact O-N 3.1Å; V36-T39 PolarHBondContact O-OG1 3.43Å
37T96.8Very high97Very high0 Ų043.9 Ų43.90%023%0.23CC..Hα-helixtrans-62.3-32.1179.264.70000112.9L25 Y29 D33 W34 H35 T39L25-T37 HydrophobicContact CD1-CG2 4.11Å; Y29-T37 VanDerWaalsContact N-CG2 3.27Å; D33-T37 PolarHBondContact O-N 2.86Å; W34-T37 WeakPolarHBondContact CA-OG1 3.39Å; W34-T37 HydrophobicContact CE3-CG2 4.06Å; W34-T37 HydrophobicContact CZ3-CG2 4.44Å; W34-T37 PolarHBondContact O-N 3.44Å; W34-T37 PolarHBondContact O-OG1 3.33Å; H35-T37 PolarHBondContact O-N 3.35Å; T37-T39 VanDerWaalsContact C-N 3.31Å; T37-T39 PolarHBondContact O-N 3.41Å
38S96.4Very high97Very high5 Ų543.7 Ų43.74%0.03523%0.229CC..Hα-helixtrans-74-18.5178.281.30000113.9W34 H35 V36 I40 Y41W34-S38 PolarHBondContact O-N 2.99Å; W34-S38 VanDerWaalsContact O-N 3.11Å; H35-S38 PolarHBondContact O-N 2.88Å; H35-S38 PolarHBondContact O-OG 3.45Å; V36-S38 PolarHBondContact O-N 3.16Å; S38-I40 PolarHBondContact O-N 2.88Å; S38-Y41 WeakPolarHBondContact O-CB 3.27Å; S38-Y41 PolarHBondContact O-N 2.94Å; S38-Y41 VanDerWaalsContact O-N 3.12Å
39T97Very high97Very high54 Ų5444.1 Ų44.133%0.33123%0.233SC..THydrogen-bonded Turntrans-67.3-19.9-176.164.40000114.1V24 H35 V36 T37 Y41 L123V24-T39 WeakPolarHBondContact CG1-OG1 3.17Å; H35-T39 WeakPolarHBondContact O-CG2 3.37Å; H35-T39 PolarHBondContact O-N 2.74Å; V36-T39 WeakPolarHBondContact O-CB 3.26Å; V36-T39 PolarHBondContact O-N 3.35Å; V36-T39 VanDerWaalsContact O-N 3.1Å; V36-T39 PolarHBondContact O-OG1 3.43Å; T37-T39 VanDerWaalsContact C-N 3.31Å; T37-T39 PolarHBondContact O-N 3.41Å; T39-Y41 PolarHBondContact O-N 3.14Å; T39-L123 WeakPolarHBondContact O-CD2 3.41Å
40I98Very high97Very high1 Ų146.3 Ų46.31%0.00525%0.247CC..THydrogen-bonded Turntrans-72.6-11.4176.777.9177.4000112.6Q21 V24 L25 S38 L123 I124Q21-I40 HydrophobicContact CB-CB 4.35Å; Q21-I40 HydrophobicContact CB-CG2 4.25Å; V24-I40 HydrophobicContact CB-CG2 4.2Å; V24-I40 HydrophobicContact CG1-CG2 4.01Å; L25-I40 HydrophobicContact CB-CD1 4Å; L25-I40 HydrophobicContact CB-CG2 4.2Å; L25-I40 HydrophobicContact CD1-CD1 4.02Å; L25-I40 HydrophobicContact CD2-CD1 3.87Å; L25-I40 HydrophobicContact CG-CD1 4.15Å; S38-I40 PolarHBondContact O-N 2.88Å; I40-L123 CarbonylContact O-C 3.59Å; I40-L123 VanDerWaalsContact O-CA 3.27Å; I40-L123 WeakPolarHBondContact O-CA 3.22Å; I40-I124 HydrophobicContact CD1-CD1 3.79Å; I40-I124 HydrophobicContact CG1-CD1 4.15Å; I40-I124 PolarHBondContact O-N 3.09Å
41Y98.3Very high96.9Very high0 Ų044.8 Ų44.80%027%0.265CS..EExtended strand (participates in β ladder)trans-96.2144.5-177-67.6-90.3000111.8S38 T39 C45 I47 K58 A61 W65 I124S38-Y41 WeakPolarHBondContact O-CB 3.27Å; S38-Y41 PolarHBondContact O-N 2.94Å; S38-Y41 VanDerWaalsContact O-N 3.12Å; T39-Y41 PolarHBondContact O-N 3.14Å; Y41-C45 HydrophobicContact CD1-CB 3.76Å; Y41-C45 HydrophobicContact CG-CB 4.21Å; Y41-I47 HydrophobicContact CE1-CD1 3.85Å; Y41-I47 HydrophobicContact CE1-CG1 3.88Å; Y41-K58 WeakPolarHBondContact O-CE 3.21Å; Y41-A61 HydrophobicContact CD1-CB 4.15Å; Y41-A61 HydrophobicContact CD2-CB 3.84Å; Y41-A61 HydrophobicContact CE1-CB 4.18Å; Y41-A61 HydrophobicContact CE2-CB 3.91Å; Y41-A61 HydrophobicContact CG-CB 3.97Å; Y41-W65 AromaticContact CE2-NE1 3.36Å; Y41-W65 AromaticContact CZ-NE1 3.64Å; Y41-W65 WeakPolarHBondContact OH-CZ2 3.13Å; Y41-W65 PolarHBondContact OH-NE1 3.36Å; Y41-I124 HydrophobicContact CD1-CB 3.73Å; Y41-I124 HydrophobicContact CD1-CD1 4.49Å; Y41-I124 HydrophobicContact CD1-CG2 3.79Å; Y41-I124 HydrophobicContact CE1-CB 4.03Å; Y41-I124 HydrophobicContact CE1-CD1 4.04Å; Y41-I124 HydrophobicContact CE1-CG2 3.8Å; Y41-I124 HydrophobicContact CG-CB 4.41Å
42G97.8Very high96.8Very high0 Ų042.8 Ų42.80%025%0.253CS..EExtended strand (participates in β ladder)trans-69.3165.2170.900000111.9N44 C45 I124G42-N44 VanDerWaalsContact C-N 3.29Å; G42-N44 PolarHBondContact O-N 3.5Å; G42-C45 WeakPolarHBondContact O-CB 3.17Å; G42-C45 PolarHBondContact O-N 3.18Å; G42-I124 PolarHBondContact N-O 3.46Å
43P95.4Very high96.8Very high73 Ų7346.9 Ų46.947%0.47428%0.276SS..EExtended strand (participates in β ladder)trans-58.7-38.6-179.722.2-32.7000113.1Y118P43-Y118 HydrophobicContact CG-CE1 4.1Å
44N94.7Very high96.8Very high114 Ų11448.2 Ų48.261%0.6128%0.282SS*.EExtended strand (participates in β ladder)trans-102.539.8179.2-62.3-26.2000111.9G42 H125G42-N44 VanDerWaalsContact C-N 3.29Å; G42-N44 PolarHBondContact O-N 3.5Å; N44-H125 PolarHBondContact O-CE1 2.81Å
45C98.4Very high96.9Very high2 Ų247.3 Ų47.31%0.01428%0.28CS..EExtended strand (participates in β ladder)trans-70.2153.3-177.469.70000112.7Y41 G42 G57 I124 H125Y41-C45 HydrophobicContact CD1-CB 3.76Å; Y41-C45 HydrophobicContact CG-CB 4.21Å; G42-C45 WeakPolarHBondContact O-CB 3.17Å; G42-C45 PolarHBondContact O-N 3.18Å; C45-G57 PolarHBondContact O-N 2.83Å; C45-G57 PolarHBondContact SG-O 2.62Å; C45-I124 WeakPolarHBondContact CB-O 3.33Å; C45-H125 CarbonylContact C-O 3.54Å; C45-H125 WeakPolarHBondContact CA-O 3.31Å
46T98.7Very high97Very high31 Ų3147.9 Ų47.919%0.1928%0.281CS..EExtended strand (participates in β ladder)trans-138.7131.2170.5-59.30000110.8L48 L54 I55 K56 H125 S126 Y127T46-L48 HydrophobicContact CG2-CD1 3.88Å; T46-L48 HydrophobicContact CG2-CG 4.34Å; T46-L54 HydrophobicContact CG2-CB 4.19Å; T46-L54 HydrophobicContact CG2-CD2 4.12Å; T46-I55 CarbonylContact C-O 3.54Å; T46-I55 WeakPolarHBondContact CA-O 3.23Å; T46-K56 HydrophobicContact CG2-CG 4.32Å; T46-H125 PolarHBondContact N-O 2.83Å; T46-S126 CarbonylContact O-C 3.55Å; T46-S126 WeakPolarHBondContact O-CA 3.4Å; T46-Y127 PolarHBondContact O-N 2.99Å
47I98.6Very high97Very high0 Ų047.3 Ų47.30%028%0.282CS..EExtended strand (participates in β ladder)trans-102.4125.9168.2-50.1173.8000108.7Y41 A49 I55 A61 Y64 Y127 F129Y41-I47 HydrophobicContact CE1-CD1 3.85Å; Y41-I47 HydrophobicContact CE1-CG1 3.88Å; I47-A49 HydrophobicContact CG2-CB 4.42Å; I47-I55 HydrophobicContact CB-CB 4Å; I47-I55 HydrophobicContact CB-CD1 4.34Å; I47-I55 HydrophobicContact CB-CG2 4.39Å; I47-I55 HydrophobicContact CD1-CG2 4.42Å; I47-I55 HydrophobicContact CG2-CD1 4.42Å; I47-I55 PolarHBondContact N-O 3.21Å; I47-I55 PolarHBondContact O-N 3.47Å; I47-A61 HydrophobicContact CD1-CB 3.94Å; I47-Y64 HydrophobicContact CD1-CD1 3.82Å; I47-Y64 HydrophobicContact CD1-CE1 4.46Å; I47-Y64 HydrophobicContact CD1-CG 3.95Å; I47-Y127 CarbonylContact C-O 3.52Å; I47-Y127 VanDerWaalsContact CA-O 3.31Å; I47-Y127 WeakPolarHBondContact CA-O 3.32Å; I47-Y127 HydrophobicContact CB-CD1 4.37Å; I47-Y127 HydrophobicContact CD1-CD1 4.38Å; I47-Y127 HydrophobicContact CG1-CD1 4.09Å; I47-Y127 HydrophobicContact CG2-CD1 3.61Å; I47-Y127 HydrophobicContact CG2-CE1 4.1Å; I47-Y127 HydrophobicContact CG2-CG 4.37Å; I47-F129 HydrophobicContact CG2-CE1 4.13Å
48L98.6Very high97Very high63 Ų6351.1 Ų51.133%0.3330%0.298SS..EExtended strand (participates in β ladder)trans-105.484.9176.3-61.886.9000107T46 L54 Y127 M128 F129T46-L48 HydrophobicContact CG2-CD1 3.88Å; T46-L48 HydrophobicContact CG2-CG 4.34Å; L48-L54 HydrophobicContact CD2-CD2 4Å; L48-L54 HydrophobicContact CG-CD2 3.73Å; L48-Y127 PolarHBondContact N-O 3.31Å; L48-M128 HydrophobicContact CB-CB 3.97Å; L48-M128 HydrophobicContact CB-CG 3.9Å; L48-M128 HydrophobicContact CD1-CB 4.49Å; L48-M128 HydrophobicContact CD2-SD 4.45Å; L48-F129 PolarHBondContact O-N 3.26Å
49A97.1Very high97Very high9 Ų957 Ų577%0.07433%0.329CS..  trans-91.1142.5178.100000110.4I47 G51 R52 I55 F129I47-A49 HydrophobicContact CG2-CB 4.42Å; A49-G51 PolarHBondContact O-N 3.31Å; A49-R52 HydrophobicContact CB-CB 4.25Å; A49-R52 HydrophobicContact CB-CG 4.41Å; A49-R52 PolarHBondContact O-N 3.1Å; A49-I55 HydrophobicContact CB-CD1 4.25Å; A49-F129 HydrophobicContact CB-CE1 3.68Å; A49-F129 HydrophobicContact CB-CZ 3.58Å
50P95.5Very high97Very high48 Ų4855.8 Ų55.831%0.31233%0.325SS..THydrogen-bonded Turntrans-65.4136.2-177.625.8-28.9000110.4R52 F129 I131P50-R52 PolarHBondContact O-N 3.41Å; P50-F129 WeakPolarHBondContact CD-O 3.4Å; P50-F129 HydrophobicContact CG-CD2 4.24Å; P50-F129 HydrophobicContact CG-CE2 3.85Å; P50-I131 HydrophobicContact CG-CD1 3.92Å; P50-I131 HydrophobicContact CG-CG1 3.87Å
51G93.5Very high96.9Very high94 Ų9455.7 Ų55.797%0.96933%0.325SS*.THydrogen-bonded Turntrans69.37.4179.700000115.3A49A49-G51 PolarHBondContact O-N 3.31Å
52R93.7Very high96.9Very high108 Ų10858 Ų5841%0.40834%0.335SS..SBendtrans-116.7150.7177.4-60.8-167-178.2-155.4-0111A49 P50 E71A49-R52 HydrophobicContact CB-CB 4.25Å; A49-R52 HydrophobicContact CB-CG 4.41Å; A49-R52 PolarHBondContact O-N 3.1Å; P50-R52 PolarHBondContact O-N 3.41Å; R52-E71 IonicContact CZ-OE1 3.74Å; R52-E71 IonicContact NH1-OE1 3.71Å; R52-E71 VanDerWaalsContact NH2-CD 3.26Å; R52-E71 IonicContact NH2-OE1 2.85Å; R52-E71 PolarHBondContact NH2-OE1 2.68Å; R52-E71 IonicContact NH2-OE2 2.82Å; R52-E71 PolarHBondContact NH2-OE2 3.44Å
53P96.6Very high96.8Very high112 Ų11262.6 Ų62.673%0.72736%0.36SS*.  trans-56.3160.8162.9-22.934000111.7I55P53-I55 PolarHBondContact O-N 3.12Å
54L97.8Very high96.8Very high97 Ų9759.7 Ų59.751%0.50834%0.34SS..  trans-57.1123.7175.4-63.3178.3000110.9T46 L48 K56T46-L54 HydrophobicContact CG2-CB 4.19Å; T46-L54 HydrophobicContact CG2-CD2 4.12Å; L48-L54 HydrophobicContact CD2-CD2 4Å; L48-L54 HydrophobicContact CG-CD2 3.73Å; L54-K56 HydrophobicContact CB-CG 4.18Å; L54-K56 PolarHBondContact O-N 3.06Å
55I98.1Very high96.9Very high24 Ų2454.9 Ų54.912%0.12331%0.313CS..EExtended strand (participates in β ladder)trans-91.5104.7177.3-58.9169.8000107T46 I47 A49 P53 A60 Y64T46-I55 CarbonylContact C-O 3.54Å; T46-I55 WeakPolarHBondContact CA-O 3.23Å; I47-I55 HydrophobicContact CB-CB 4Å; I47-I55 HydrophobicContact CB-CD1 4.34Å; I47-I55 HydrophobicContact CB-CG2 4.39Å; I47-I55 HydrophobicContact CD1-CG2 4.42Å; I47-I55 HydrophobicContact CG2-CD1 4.42Å; I47-I55 PolarHBondContact N-O 3.21Å; I47-I55 PolarHBondContact O-N 3.47Å; A49-I55 HydrophobicContact CB-CD1 4.25Å; P53-I55 PolarHBondContact O-N 3.12Å; I55-A60 VanDerWaalsContact CG2-C 3.47Å; I55-A60 HydrophobicContact CG2-CB 3.53Å; I55-A60 WeakPolarHBondContact CG2-O 3.36Å; I55-Y64 HydrophobicContact CD1-CD2 3.91Å; I55-Y64 HydrophobicContact CD1-CG 4.43Å
56K98.2Very high96.8Very high139 Ų13959.5 Ų59.560%0.60433%0.333SS*.EExtended strand (participates in β ladder)trans-108.9133.7-170-63.5-177.3-178.9-178.50112.3T46 L54 A60T46-K56 HydrophobicContact CG2-CG 4.32Å; L54-K56 HydrophobicContact CB-CG 4.18Å; L54-K56 PolarHBondContact O-N 3.06Å; K56-A60 WeakPolarHBondContact O-CB 3.47Å
57G97.8Very high96.6Very high20 Ų2059.1 Ų59.121%0.20633%0.333CS..SBendtrans82.3167.1174.900000114.4C45 D59 A60 A61C45-G57 PolarHBondContact O-N 2.83Å; C45-G57 PolarHBondContact SG-O 2.62Å; G57-D59 PolarHBondContact O-N 3.49Å; G57-A60 PolarHBondContact O-N 3.35Å; G57-A61 PolarHBondContact O-N 3.11Å
58K96.8Very high96.4Very high80 Ų8059.5 Ų59.535%0.34834%0.335SS..Hα-helixtrans-61-43.5-174.1-73.3-177.3168.3-176.70113Y41 A60 A61 Q62Y41-K58 WeakPolarHBondContact O-CE 3.21Å; K58-A60 VanDerWaalsContact C-N 3.32Å; K58-A60 PolarHBondContact O-N 3.5Å; K58-A61 CarbonylContact O-C 3.59Å; K58-A61 WeakPolarHBondContact O-CB 3.39Å; K58-A61 PolarHBondContact O-N 2.9Å; K58-Q62 WeakPolarHBondContact O-CB 3.12Å; K58-Q62 PolarHBondContact O-N 3.06Å
59D96.2Very high96.2Very high127 Ų12759.5 Ų59.568%0.67933%0.332SS*.Hα-helixtrans-64.7-37.8-178.5-60.2-15.5000111.8G57 Q62 N63G57-D59 PolarHBondContact O-N 3.49Å; D59-Q62 WeakPolarHBondContact O-CB 3.28Å; D59-Q62 PolarHBondContact O-N 3.08Å; D59-N63 PolarHBondContact O-N 3.24Å; D59-N63 VanDerWaalsContact O-N 3.14Å; D59-N63 PolarHBondContact O-ND2 3.12Å
60A96.9Very high96.1Very high29 Ų2963.6 Ų63.624%0.2435%0.353CS..Hα-helixtrans-71.4-37.8175.400000111.6I55 K56 G57 K58 Q62 N63 Y64I55-A60 VanDerWaalsContact CG2-C 3.47Å; I55-A60 HydrophobicContact CG2-CB 3.53Å; I55-A60 WeakPolarHBondContact CG2-O 3.36Å; K56-A60 WeakPolarHBondContact O-CB 3.47Å; G57-A60 PolarHBondContact O-N 3.35Å; K58-A60 VanDerWaalsContact C-N 3.32Å; K58-A60 PolarHBondContact O-N 3.5Å; A60-Q62 VanDerWaalsContact C-N 3.32Å; A60-Q62 PolarHBondContact O-N 3.4Å; A60-N63 PolarHBondContact O-N 2.65Å; A60-Y64 PolarHBondContact O-N 3.07Å
61A97.2Very high96.1Very high0 Ų066.6 Ų66.60%036%0.363CS..Hα-helixtrans-64-36.9173.400000112.2Y41 I47 G57 K58 Y64 W65Y41-A61 HydrophobicContact CD1-CB 4.15Å; Y41-A61 HydrophobicContact CD2-CB 3.84Å; Y41-A61 HydrophobicContact CE1-CB 4.18Å; Y41-A61 HydrophobicContact CE2-CB 3.91Å; Y41-A61 HydrophobicContact CG-CB 3.97Å; I47-A61 HydrophobicContact CD1-CB 3.94Å; G57-A61 PolarHBondContact O-N 3.11Å; K58-A61 CarbonylContact O-C 3.59Å; K58-A61 WeakPolarHBondContact O-CB 3.39Å; K58-A61 PolarHBondContact O-N 2.9Å; A61-Y64 WeakPolarHBondContact O-CB 3.34Å; A61-Y64 PolarHBondContact O-N 3.25Å; A61-W65 PolarHBondContact O-N 3.32Å
62Q96.8Very high96Very high48 Ų4864.7 Ų64.722%0.22433%0.33CS..Hα-helixtrans-57.1-51.8171.8-177.1173.4-60.700111W34 K58 D59 A60 Y64 W65 K66W34-Q62 HydrophobicContact CB-CG 3.31Å; W34-Q62 HydrophobicContact CG-CG 4.5Å; W34-Q62 WeakPolarHBondContact O-CG 3.43Å; W34-Q62 PolarHBondContact O-OE1 2.86Å; K58-Q62 WeakPolarHBondContact O-CB 3.12Å; K58-Q62 PolarHBondContact O-N 3.06Å; D59-Q62 WeakPolarHBondContact O-CB 3.28Å; D59-Q62 PolarHBondContact O-N 3.08Å; A60-Q62 VanDerWaalsContact C-N 3.32Å; A60-Q62 PolarHBondContact O-N 3.4Å; Q62-Y64 VanDerWaalsContact C-N 3.27Å; Q62-Y64 PolarHBondContact O-N 3.47Å; Q62-W65 PolarHBondContact O-N 2.88Å; Q62-K66 PolarHBondContact O-N 2.88Å
63N96.5Very high96.1Very high97 Ų9765.3 Ų65.352%0.51934%0.337SS..Hα-helixtrans-63.2-33179.7-70.7-25.7000112.5D59 A60 W65 K66 A67D59-N63 PolarHBondContact O-N 3.24Å; D59-N63 VanDerWaalsContact O-N 3.14Å; D59-N63 PolarHBondContact O-ND2 3.12Å; A60-N63 PolarHBondContact O-N 2.65Å; N63-W65 PolarHBondContact O-N 2.8Å; N63-K66 PolarHBondContact O-N 3.04Å; N63-A67 WeakPolarHBondContact O-CB 3.36Å; N63-A67 PolarHBondContact O-N 3.49Å
64Y96.2Very high96Very high12 Ų1260.1 Ų60.15%0.04730%0.303CS..Hα-helixtrans-59-44.9173.8166.2-94.1000112.3I47 I55 A60 A61 Q62 A67 L68 R109 F129I47-Y64 HydrophobicContact CD1-CD1 3.82Å; I47-Y64 HydrophobicContact CD1-CE1 4.46Å; I47-Y64 HydrophobicContact CD1-CG 3.95Å; I55-Y64 HydrophobicContact CD1-CD2 3.91Å; I55-Y64 HydrophobicContact CD1-CG 4.43Å; A60-Y64 PolarHBondContact O-N 3.07Å; A61-Y64 WeakPolarHBondContact O-CB 3.34Å; A61-Y64 PolarHBondContact O-N 3.25Å; Q62-Y64 VanDerWaalsContact C-N 3.27Å; Q62-Y64 PolarHBondContact O-N 3.47Å; Y64-A67 PolarHBondContact O-N 2.94Å; Y64-L68 WeakPolarHBondContact O-CB 3.34Å; Y64-L68 PolarHBondContact O-N 3.41Å; Y64-R109 PolarHBondContact OH-NH1 3.49Å; Y64-F129 HydrophobicContact CE2-CE1 4.33Å; Y64-F129 HydrophobicContact CE2-CZ 4.25Å
65W96Very high95.8Very high13 Ų1358.9 Ų58.95%0.04930%0.3CS..Hα-helixtrans-68.2-38.3179.7-71.2110.4000112.8L25 Y29 W34 Y41 A61 Q62 N63 L68 K69 I77L25-W65 HydrophobicContact CD1-CD2 3.79Å; L25-W65 VanDerWaalsContact CD1-CE2 3.48Å; L25-W65 HydrophobicContact CD1-CE3 4.17Å; L25-W65 HydrophobicContact CD1-CG 4.36Å; L25-W65 HydrophobicContact CD1-CH2 4Å; L25-W65 HydrophobicContact CD1-CZ2 3.61Å; L25-W65 HydrophobicContact CD1-CZ3 4.26Å; L25-W65 HydrophobicContact CD2-CH2 3.59Å; L25-W65 HydrophobicContact CD2-CZ2 3.63Å; L25-W65 HydrophobicContact CD2-CZ3 4.33Å; L25-W65 HydrophobicContact CG-CH2 4.33Å; L25-W65 HydrophobicContact CG-CZ2 4.25Å; Y29-W65 HydrophobicContact CD2-CB 4.31Å; Y29-W65 HydrophobicContact CD2-CD2 4.44Å; Y29-W65 AromaticContact CD2-CE3 3.75Å; Y29-W65 HydrophobicContact CD2-CE3 3.75Å; Y29-W65 AromaticContact CE2-CE3 3.92Å; Y29-W65 HydrophobicContact CE2-CE3 3.92Å; Y29-W65 WeakPolarHBondContact CE2-O 3.38Å; W34-W65 HydrophobicContact CE3-CB 4.09Å; W34-W65 HydrophobicContact CZ3-CB 4.11Å; Y41-W65 AromaticContact CE2-NE1 3.36Å; Y41-W65 AromaticContact CZ-NE1 3.64Å; Y41-W65 WeakPolarHBondContact OH-CZ2 3.13Å; Y41-W65 PolarHBondContact OH-NE1 3.36Å; A61-W65 PolarHBondContact O-N 3.32Å; Q62-W65 PolarHBondContact O-N 2.88Å; N63-W65 PolarHBondContact O-N 2.8Å; W65-L68 HydrophobicContact CE3-CD2 3.68Å; W65-L68 HydrophobicContact CZ3-CD2 3.56Å; W65-L68 PolarHBondContact O-N 3.35Å; W65-K69 PolarHBondContact O-N 3.18Å; W65-I77 HydrophobicContact CZ3-CD1 4.18Å
66K96.4Very high95.6Very high98 Ų9861.9 Ų61.943%0.42631%0.312SS..Hα-helixtrans-59.7-51.6172.6-177.1180176.4-174.80110.9W34 Q62 N63 L68 K69 D70W34-K66 HydrophobicContact CD2-CB 4.01Å; W34-K66 HydrophobicContact CG-CB 4.31Å; W34-K66 HydrophobicContact CZ2-CB 4.09Å; W34-K66 HydrophobicContact CZ2-CG 4.05Å; Q62-K66 PolarHBondContact O-N 2.88Å; N63-K66 PolarHBondContact O-N 3.04Å; K66-L68 VanDerWaalsContact C-N 3.28Å; K66-L68 PolarHBondContact O-N 3.33Å; K66-K69 PolarHBondContact O-N 3.33Å; K66-D70 PolarHBondContact O-N 3.47Å
67A94.9Very high95.4Very high24 Ų2456.9 Ų56.920%0.19829%0.292CS..Hα-helixtrans-58.7-39177.600000112.4N63 Y64 K69 D70 E71N63-A67 WeakPolarHBondContact O-CB 3.36Å; N63-A67 PolarHBondContact O-N 3.49Å; Y64-A67 PolarHBondContact O-N 2.94Å; A67-K69 VanDerWaalsContact C-N 3.31Å; A67-K69 PolarHBondContact O-N 2.73Å; A67-D70 PolarHBondContact O-N 3.28Å; A67-E71 VanDerWaalsContact O-CB 3.22Å; A67-E71 WeakPolarHBondContact O-CB 3.35Å; A67-E71 WeakPolarHBondContact O-CG 3.47Å; A67-E71 PolarHBondContact O-N 3.48Å
68L93.4Very high95.3Very high7 Ų759.8 Ų59.84%0.03730%0.3CS..Hα-helixtrans-60.1-40.1175.5-171.373.9000112.4Y29 Y64 W65 K66 L72 V74 L99Y29-L68 HydrophobicContact CE2-CD2 4.25Å; Y64-L68 WeakPolarHBondContact O-CB 3.34Å; Y64-L68 PolarHBondContact O-N 3.41Å; W65-L68 HydrophobicContact CE3-CD2 3.68Å; W65-L68 HydrophobicContact CZ3-CD2 3.56Å; W65-L68 PolarHBondContact O-N 3.35Å; K66-L68 VanDerWaalsContact C-N 3.28Å; K66-L68 PolarHBondContact O-N 3.33Å; L68-L72 HydrophobicContact CD1-CD1 3.79Å; L68-L72 WeakPolarHBondContact O-CB 3.48Å; L68-L72 PolarHBondContact O-N 3.18Å; L68-L72 VanDerWaalsContact O-N 3.1Å; L68-V74 HydrophobicContact CD1-CG2 4.33Å; L68-V74 HydrophobicContact CD2-CG2 4.29Å; L68-V74 HydrophobicContact CG-CG2 3.97Å; L68-L99 HydrophobicContact CD1-CD1 4.12Å
69K94.8Very high95.3Very high64 Ų6459.1 Ų59.128%0.27830%0.3SS..Hα-helixtrans-70.6-41177.4-168.7170.5-176.4171.20111.9Y29 Q30 W34 W65 K66 A67 H73Y29-K69 HydrophobicContact CE1-CD 4.46Å; Y29-K69 HydrophobicContact CE2-CB 4.09Å; Y29-K69 PolarHBondContact O-NZ 3.21Å; Y29-K69 VanDerWaalsContact O-NZ 3.09Å; Y29-K69 WeakPolarHBondContact OH-CA 3.39Å; Y29-K69 VanDerWaalsContact OH-CB 3.29Å; Y29-K69 WeakPolarHBondContact OH-CB 3.48Å; Y29-K69 PolarHBondContact OH-N 3.26Å; Q30-K69 PolarHBondContact O-NZ 2.89Å; W34-K69 HydrophobicContact CH2-CB 3.78Å; W34-K69 HydrophobicContact CH2-CD 3.43Å; W34-K69 VanDerWaalsContact CH2-CD 3.43Å; W34-K69 HydrophobicContact CH2-CG 4.25Å; W34-K69 HydrophobicContact CZ2-CB 4.44Å; W34-K69 HydrophobicContact CZ2-CD 3.94Å; W65-K69 PolarHBondContact O-N 3.18Å; K66-K69 PolarHBondContact O-N 3.33Å; A67-K69 VanDerWaalsContact C-N 3.31Å; A67-K69 PolarHBondContact O-N 2.73Å; K69-H73 VanDerWaalsContact O-CA 3.26Å; K69-H73 WeakPolarHBondContact O-CA 3.47Å; K69-H73 PolarHBondContact O-N 3.11Å; K69-H73 VanDerWaalsContact O-N 3.09Å; K69-H73 PolarHBondContact O-ND1 3.27Å
70D95.5Very high95.3Very high95 Ų9559.5 Ų59.551%0.50830%0.295SS..Hα-helixtrans-71.6-39.7-178.1-64.1-15.6000111.7K66 A67 H73K66-D70 PolarHBondContact O-N 3.47Å; A67-D70 PolarHBondContact O-N 3.28Å; D70-H73 PolarHBondContact O-CE1 3.29Å
71E94.1Very high95.4Very high111 Ų11161 Ų6152%0.51930%0.303SS..Hα-helixtrans-83.4-41.8-176-67.9172.2-155.600113.5R52 A67R52-E71 IonicContact CZ-OE1 3.74Å; R52-E71 IonicContact NH1-OE1 3.71Å; R52-E71 VanDerWaalsContact NH2-CD 3.26Å; R52-E71 IonicContact NH2-OE1 2.85Å; R52-E71 PolarHBondContact NH2-OE1 2.68Å; R52-E71 IonicContact NH2-OE2 2.82Å; R52-E71 PolarHBondContact NH2-OE2 3.44Å; A67-E71 VanDerWaalsContact O-CB 3.22Å; A67-E71 WeakPolarHBondContact O-CB 3.35Å; A67-E71 WeakPolarHBondContact O-CG 3.47Å; A67-E71 PolarHBondContact O-N 3.48Å
72L92.9Very high95.4Very high54 Ų5465.2 Ų65.228%0.28333%0.326SS..Hα-helixtrans-113-8.2-170.3-65.6-173.7000113.7L68 V74 L99 I106 Q107L68-L72 HydrophobicContact CD1-CD1 3.79Å; L68-L72 WeakPolarHBondContact O-CB 3.48Å; L68-L72 PolarHBondContact O-N 3.18Å; L68-L72 VanDerWaalsContact O-N 3.1Å; L72-V74 HydrophobicContact CB-CG2 3.8Å; L72-V74 PolarHBondContact O-N 2.82Å; L72-V74 VanDerWaalsContact O-N 3.09Å; L72-L99 HydrophobicContact CD1-CD1 4.15Å; L72-I106 HydrophobicContact CB-CD1 3.84Å; L72-I106 WeakPolarHBondContact O-CD1 3.37Å; L72-Q107 VanDerWaalsContact CD1-OE1 3.26Å
73H94.3Very high95.5Very high120 Ų12065.3 Ų65.356%0.55633%0.326SS*.  trans4939-176.9-52.5-48.3000112.8K69 D70 T75 S101K69-H73 VanDerWaalsContact O-CA 3.26Å; K69-H73 WeakPolarHBondContact O-CA 3.47Å; K69-H73 PolarHBondContact O-N 3.11Å; K69-H73 VanDerWaalsContact O-N 3.09Å; K69-H73 PolarHBondContact O-ND1 3.27Å; D70-H73 PolarHBondContact O-CE1 3.29Å; H73-T75 PolarHBondContact O-N 3.03Å; H73-S101 WeakPolarHBondContact O-CB 3.41Å; H73-S101 PolarHBondContact O-OG 3.29Å
74V95Very high95.5Very high3 Ų362.6 Ų62.62%0.01831%0.311CS..  trans-61.2129.5178.8-1780000108.2Y29 L68 L72 K76 I77 L99 F100 I106Y29-V74 WeakPolarHBondContact CE1-O 3.43Å; Y29-V74 WeakPolarHBondContact OH-CB 3.19Å; Y29-V74 PolarHBondContact OH-O 3.47Å; L68-V74 HydrophobicContact CD1-CG2 4.33Å; L68-V74 HydrophobicContact CD2-CG2 4.29Å; L68-V74 HydrophobicContact CG-CG2 3.97Å; L72-V74 HydrophobicContact CB-CG2 3.8Å; L72-V74 PolarHBondContact O-N 2.82Å; L72-V74 VanDerWaalsContact O-N 3.09Å; V74-K76 WeakPolarHBondContact CG1-O 3.44Å; V74-I77 HydrophobicContact CG1-CD1 4.49Å; V74-I77 HydrophobicContact CG1-CG1 3.88Å; V74-L99 HydrophobicContact CG1-CB 4.27Å; V74-L99 HydrophobicContact CG1-CD2 3.97Å; V74-L99 HydrophobicContact CG2-CB 4.1Å; V74-L99 HydrophobicContact CG2-CD1 4.02Å; V74-L99 HydrophobicContact CG2-CD2 4.35Å; V74-L99 HydrophobicContact CG2-CG 4.4Å; V74-F100 CarbonylContact C-O 3.5Å; V74-F100 VanDerWaalsContact CA-O 3.28Å; V74-F100 WeakPolarHBondContact CA-O 3.24Å; V74-I106 HydrophobicContact CG2-CD1 4.12Å
75T94.1Very high95.6Very high72 Ų7265.4 Ų65.444%0.44233%0.327SS..  trans-114.1-22.617553.90000112.2H73 F100 A102H73-T75 PolarHBondContact O-N 3.03Å; T75-F100 PolarHBondContact N-O 3.31Å; T75-F100 PolarHBondContact OG1-O 2.99Å; T75-A102 WeakPolarHBondContact OG1-CA 3.45Å; T75-A102 PolarHBondContact OG1-N 3.31Å; T75-A102 PolarHBondContact OG1-O 2.85Å
76K93.3Very high95.6Very high87 Ų8765.7 Ų65.738%0.37833%0.334SS..EExtended strand (participates in β ladder)trans-143.6144.1-178.4178.7-168.7-170.5-167.70110.5V74 E78 F100V74-K76 WeakPolarHBondContact CG1-O 3.44Å; K76-E78 HydrophobicContact CD-CG 4.4Å; K76-E78 WeakPolarHBondContact CE-OE1 3.33Å; K76-E78 IonicContact NZ-OE1 2.64Å; K76-E78 PolarHBondContact NZ-OE1 2.91Å; K76-F100 HydrophobicContact CB-CB 4.12Å; K76-F100 HydrophobicContact CD-CD2 4.41Å; K76-F100 HydrophobicContact CG-CD2 4.45Å; K76-F100 PolarHBondContact N-O 3.39Å; K76-F100 PolarHBondContact O-N 2.83Å
77I95.2Very high95.4Very high33 Ų3364.9 Ų64.917%0.16934%0.341CS..EExtended strand (participates in β ladder)trans-125.8124.1174.5-52.9-174.9000107.5M26 W65 V74 I79 Y97 K98 L99M26-I77 HydrophobicContact CE-CG1 4.3Å; M26-I77 HydrophobicContact SD-CB 4.32Å; M26-I77 HydrophobicContact SD-CD1 3.91Å; M26-I77 HydrophobicContact SD-CG1 4.09Å; W65-I77 HydrophobicContact CZ3-CD1 4.18Å; V74-I77 HydrophobicContact CG1-CD1 4.49Å; V74-I77 HydrophobicContact CG1-CG1 3.88Å; I77-I79 HydrophobicContact CG2-CD1 4.35Å; I77-I79 HydrophobicContact CG2-CG1 3.85Å; I77-Y97 HydrophobicContact CG2-CD2 3.93Å; I77-Y97 HydrophobicContact CG2-CG 4.44Å; I77-K98 WeakPolarHBondContact CA-O 3.47Å; I77-L99 HydrophobicContact CB-CD2 4.33Å; I77-L99 HydrophobicContact CD1-CD2 3.93Å; I77-L99 HydrophobicContact CG1-CD2 3.68Å; I77-L99 HydrophobicContact CG2-CD2 4.06Å
78E95.4Very high95.3Very high81 Ų8165.9 Ų65.938%0.37935%0.353SS..EExtended strand (participates in β ladder)trans-107.5120172-66.2-178.3172.500109.2K76 Y97 K98 F100K76-E78 HydrophobicContact CD-CG 4.4Å; K76-E78 WeakPolarHBondContact CE-OE1 3.33Å; K76-E78 IonicContact NZ-OE1 2.64Å; K76-E78 PolarHBondContact NZ-OE1 2.91Å; E78-Y97 CarbonylContact O-C 3.47Å; E78-Y97 WeakPolarHBondContact O-CA 3.47Å; E78-Y97 WeakPolarHBondContact O-CB 3.5Å; E78-K98 PolarHBondContact N-O 2.86Å; E78-K98 PolarHBondContact O-N 3.41Å; E78-F100 HydrophobicContact CB-CE2 3.92Å; E78-F100 VanDerWaalsContact CD-CE2 3.44Å; E78-F100 HydrophobicContact CG-CD2 4.28Å; E78-F100 HydrophobicContact CG-CE2 3.56Å; E78-F100 HydrophobicContact CG-CZ 4.19Å; E78-F100 WeakPolarHBondContact OE2-CE2 3.37Å; E78-F100 WeakPolarHBondContact OE2-CZ 3.43Å
79I96.5Very high95.4Very high67 Ų6769 Ų6934%0.34437%0.37SS..EExtended strand (participates in β ladder)trans-108.7124.9-176.8-56178.4000109.2Y22 I77 Y111Y22-I79 HydrophobicContact CD1-CD1 3.73Å; Y22-I79 HydrophobicContact CE1-CD1 3.35Å; Y22-I79 HydrophobicContact CE2-CD1 4.27Å; Y22-I79 HydrophobicContact CG-CD1 4.34Å; I77-I79 HydrophobicContact CG2-CD1 4.35Å; I77-I79 HydrophobicContact CG2-CG1 3.85Å; I79-Y111 HydrophobicContact CG2-CE1 4.15Å; I79-Y111 VanDerWaalsContact CG2-OH 3.23Å; I79-Y111 WeakPolarHBondContact CG2-OH 3.2Å
80K96.5Very high95.6Very high135 Ų13571.3 Ų71.359%0.58738%0.377SS*.EExtended strand (participates in β ladder)trans-104.2103.6164.9-172.2-172178.2-120.40108.4D82 G95 V96K80-D82 WeakPolarHBondContact CE-OD1 3.4Å; K80-D82 IonicContact NZ-OD1 2.65Å; K80-D82 PolarHBondContact NZ-OD1 3.01Å; K80-D82 PolarHBondContact O-N 3.41Å; K80-G95 WeakPolarHBondContact O-CA 3.45Å; K80-V96 CarbonylContact C-O 3.55Å; K80-V96 WeakPolarHBondContact CA-O 3.41Å; K80-V96 PolarHBondContact N-O 3.24Å; K80-V96 PolarHBondContact O-N 3.38Å; K80-V96 VanDerWaalsContact O-O 3.07Å
81C97.6Very high95.7Very high60 Ų6067 Ų6741%0.40535%0.354SS..EExtended strand (participates in β ladder)trans-79.2115.5171.3-179.50000108.8E83C81-E83 PolarHBondContact SG-O 3.47Å
82D98Very high95.9Very high89 Ų8964.7 Ų64.748%0.47634%0.342SS..EExtended strand (participates in β ladder)trans-85.9-37177.8-69.2-34000111.1K80 R94 G95K80-D82 WeakPolarHBondContact CE-OD1 3.4Å; K80-D82 IonicContact NZ-OD1 2.65Å; K80-D82 PolarHBondContact NZ-OD1 3.01Å; K80-D82 PolarHBondContact O-N 3.41Å; D82-R94 PolarHBondContact N-O 2.94Å; D82-G95 WeakPolarHBondContact OD2-CA 3.42Å
83E98.2Very high96.2Very high50 Ų5062.3 Ų62.323%0.23433%0.33CS..EExtended strand (participates in β ladder)trans-145.1137.8175-178-178.9-171.500110.5C81 N85 F92 E93 R94C81-E83 PolarHBondContact SG-O 3.47Å; E83-N85 HydrophobicContact CG-CB 4.11Å; E83-N85 WeakPolarHBondContact OE1-CB 3.16Å; E83-N85 PolarHBondContact OE1-ND2 3.01Å; E83-F92 HydrophobicContact CG-CE2 4.1Å; E83-F92 HydrophobicContact CG-CZ 4.31Å; E83-F92 WeakPolarHBondContact OE1-CZ 3.39Å; E83-E93 CarbonylContact O-C 3.58Å; E83-E93 WeakPolarHBondContact O-CA 3.42Å; E83-E93 WeakPolarHBondContact O-CB 3.33Å; E83-R94 HydrophobicContact CB-CG 4.01Å; E83-R94 PolarHBondContact N-O 2.85Å; E83-R94 VanDerWaalsContact N-O 3.16Å; E83-R94 PolarHBondContact O-N 2.81Å; E83-R94 IonicContact OE2-CZ 2.75Å; E83-R94 IonicContact OE2-NE 3.07Å; E83-R94 PolarHBondContact OE2-NE 3.21Å; E83-R94 IonicContact OE2-NH2 3.94Å; E83-R94 PolarHBondContact OE2-NH2 3.48Å
84L98.1Very high96.4Very high40 Ų4062.9 Ų62.921%0.20933%0.327CS..EExtended strand (participates in β ladder)trans-123.5123.3162.2169.565.1000107.2K15 I18 F91 F92 E93K15-L84 HydrophobicContact CB-CD2 3.73Å; K15-L84 HydrophobicContact CG-CD2 4.33Å; I18-L84 HydrophobicContact CD1-CD1 3.72Å; L84-F91 HydrophobicContact CD1-CB 4.48Å; L84-F92 WeakPolarHBondContact CA-O 3.45Å; L84-F92 WeakPolarHBondContact CD1-O 3.23Å; L84-E93 HydrophobicContact CB-CB 4.49Å; L84-E93 HydrophobicContact CD1-CB 4.17Å
85N97.1Very high96.5Very high71 Ų7163 Ų6338%0.3833%0.329SS..EExtended strand (participates in β ladder)trans-147161.3-177.8-156.1-15.9000110.8E83 F91 F92E83-N85 HydrophobicContact CG-CB 4.11Å; E83-N85 WeakPolarHBondContact OE1-CB 3.16Å; E83-N85 PolarHBondContact OE1-ND2 3.01Å; N85-F91 CarbonylContact O-C 3.51Å; N85-F91 VanDerWaalsContact O-CA 3.27Å; N85-F91 WeakPolarHBondContact O-CA 3.39Å; N85-F92 HydrophobicContact CB-CD1 4.33Å; N85-F92 HydrophobicContact CB-CE1 3.62Å; N85-F92 HydrophobicContact CB-CE2 4.39Å; N85-F92 HydrophobicContact CB-CZ 3.65Å; N85-F92 PolarHBondContact N-O 3.3Å; N85-F92 PolarHBondContact O-N 3.08Å
86G95.8Very high96.7Very high19 Ų1961.3 Ų61.320%0.19632%0.319CS..EExtended strand (participates in β ladder)trans140.5178.5-177.600000114.1W90G86-W90 CarbonylContact C-O 3.55Å; G86-W90 VanDerWaalsContact CA-O 3.31Å; G86-W90 WeakPolarHBondContact CA-O 3.39Å
87S92.8Very high96.9Very high81 Ų8157.6 Ų57.657%0.56630%0.302SS*.EExtended strand (participates in β ladder)trans-160.9161-177.666.80000111.3D89 W90S87-D89 PolarHBondContact O-N 3.47Å; S87-D89 VanDerWaalsContact O-N 3.12Å; S87-W90 PolarHBondContact N-O 2.99Å; S87-W90 PolarHBondContact O-N 3.11Å; S87-W90 VanDerWaalsContact O-N 3.08Å; S87-W90 VanDerWaalsContact O-O 3.05Å
88G92.8Very high96.9Very high44 Ų4460.2 Ų60.245%0.45431%0.312SS..THydrogen-bonded Turntrans63.3-115.3178.800000111.1F91 K117G88-F91 WeakPolarHBondContact O-CE2 2.86Å; G88-K117 PolarHBondContact O-NZ 2.9Å
89D96.1Very high96.9Very high72 Ų7256.4 Ų56.439%0.38529%0.294SS..THydrogen-bonded Turntrans-101.5-5.4179.7-66-16.2000113.3S87 R116 K117S87-D89 PolarHBondContact O-N 3.47Å; S87-D89 VanDerWaalsContact O-N 3.12Å; D89-R116 CarbonylContact O-C 3.53Å; D89-R116 WeakPolarHBondContact O-CA 3.42Å; D89-K117 HydrophobicContact CB-CB 4.27Å; D89-K117 PolarHBondContact O-N 2.88Å; D89-K117 WeakPolarHBondContact OD1-CE 3.11Å; D89-K117 IonicContact OD1-NZ 2.65Å; D89-K117 PolarHBondContact OD1-NZ 3.32Å
90W97.7Very high96.9Very high114 Ų11454.1 Ų54.143%0.43228%0.282SS..EExtended strand (participates in β ladder)trans-122.8129.2-169.9-67.4101.9000112G86 S87 I114 R116 H125G86-W90 CarbonylContact C-O 3.55Å; G86-W90 VanDerWaalsContact CA-O 3.31Å; G86-W90 WeakPolarHBondContact CA-O 3.39Å; S87-W90 PolarHBondContact N-O 2.99Å; S87-W90 PolarHBondContact O-N 3.11Å; S87-W90 VanDerWaalsContact O-N 3.08Å; S87-W90 VanDerWaalsContact O-O 3.05Å; W90-I114 HydrophobicContact CE3-CG2 3.9Å; W90-I114 HydrophobicContact CZ3-CG2 3.98Å; W90-R116 HydrophobicContact CD2-CB 4.46Å; W90-R116 HydrophobicContact CD2-CG 4.43Å; W90-R116 HydrophobicContact CE3-CB 3.92Å; W90-R116 HydrophobicContact CE3-CG 4.35Å; W90-R116 HydrophobicContact CH2-CB 4.32Å; W90-R116 HydrophobicContact CH2-CG 4.38Å; W90-R116 HydrophobicContact CZ2-CG 4.41Å; W90-R116 HydrophobicContact CZ3-CB 3.84Å; W90-R116 HydrophobicContact CZ3-CG 4.32Å; W90-H125 AromaticContact CH2-CD2 3.73Å; W90-H125 AromaticContact CH2-NE2 3.97Å; W90-H125 HydrophobicContact CZ3-CB 4.12Å; W90-H125 AromaticContact CZ3-CD2 3.57Å; W90-H125 AromaticContact CZ3-CG 3.88Å
91F98.4Very high96.8Very high5 Ų549.5 Ų49.52%0.02227%0.267CS..EExtended strand (participates in β ladder)trans-139.3154.5178.8-58.3-100.7000109.4S10 L11 A14 L84 N85 G88 W115 M122S10-F91 WeakPolarHBondContact O-CE1 3.29Å; S10-F91 WeakPolarHBondContact OG-CE1 3.28Å; S10-F91 WeakPolarHBondContact OG-CZ 3.38Å; L11-F91 HydrophobicContact CD2-CD1 4.27Å; L11-F91 HydrophobicContact CD2-CE1 4.33Å; A14-F91 HydrophobicContact CB-CD1 3.5Å; A14-F91 HydrophobicContact CB-CD2 4.33Å; A14-F91 HydrophobicContact CB-CE1 3.48Å; A14-F91 VanDerWaalsContact CB-CE1 3.48Å; A14-F91 HydrophobicContact CB-CE2 4.31Å; A14-F91 HydrophobicContact CB-CG 3.93Å; A14-F91 HydrophobicContact CB-CZ 3.89Å; L84-F91 HydrophobicContact CD1-CB 4.48Å; N85-F91 CarbonylContact O-C 3.51Å; N85-F91 VanDerWaalsContact O-CA 3.27Å; N85-F91 WeakPolarHBondContact O-CA 3.39Å; G88-F91 WeakPolarHBondContact O-CE2 2.86Å; F91-W115 HydrophobicContact CB-CB 4.31Å; F91-W115 PolarHBondContact N-O 2.95Å; F91-W115 PolarHBondContact O-N 3.43Å; F91-W115 VanDerWaalsContact O-O 3.12Å; F91-M122 HydrophobicContact CB-CE 3.85Å; F91-M122 HydrophobicContact CD2-CE 3.19Å; F91-M122 HydrophobicContact CD2-SD 4Å; F91-M122 HydrophobicContact CE2-CE 3.87Å; F91-M122 HydrophobicContact CE2-SD 4.09Å; F91-M122 HydrophobicContact CG-CE 3.71Å
92F98.6Very high96.5Very high61 Ų6149.7 Ų49.727%0.26827%0.273SS..EExtended strand (participates in β ladder)trans-128.1150.5165.874.6-91.2000109.5E83 L84 N85 R94 K113 I114E83-F92 HydrophobicContact CG-CE2 4.1Å; E83-F92 HydrophobicContact CG-CZ 4.31Å; E83-F92 WeakPolarHBondContact OE1-CZ 3.39Å; L84-F92 WeakPolarHBondContact CA-O 3.45Å; L84-F92 WeakPolarHBondContact CD1-O 3.23Å; N85-F92 HydrophobicContact CB-CD1 4.33Å; N85-F92 HydrophobicContact CB-CE1 3.62Å; N85-F92 HydrophobicContact CB-CE2 4.39Å; N85-F92 HydrophobicContact CB-CZ 3.65Å; N85-F92 PolarHBondContact N-O 3.3Å; N85-F92 PolarHBondContact O-N 3.08Å; F92-R94 HydrophobicContact CE2-CG 4.28Å; F92-K113 CarbonylContact C-O 3.48Å; F92-K113 WeakPolarHBondContact CA-O 3.5Å; F92-I114 HydrophobicContact CB-CD1 3.64Å
93E98.5Very high96.2Very high5 Ų552.2 Ų52.22%0.02329%0.286CS..EExtended strand (participates in β ladder)trans-124.515216064.2178.9164.300109.5Y22 E83 L84 Y111 V112 K113 W115Y22-E93 PolarHBondContact OH-OE1 3.39Å; Y22-E93 PolarHBondContact OH-OE2 3.04Å; Y22-E93 VanDerWaalsContact OH-OE2 3.1Å; E83-E93 CarbonylContact O-C 3.58Å; E83-E93 WeakPolarHBondContact O-CA 3.42Å; E83-E93 WeakPolarHBondContact O-CB 3.33Å; L84-E93 HydrophobicContact CB-CB 4.49Å; L84-E93 HydrophobicContact CD1-CB 4.17Å; E93-Y111 HydrophobicContact CG-CE2 3.9Å; E93-V112 WeakPolarHBondContact O-CA 3.37Å; E93-K113 HydrophobicContact CG-CB 3.94Å; E93-K113 HydrophobicContact CG-CD 4.45Å; E93-K113 PolarHBondContact N-O 3.1Å; E93-K113 PolarHBondContact O-N 3.48Å; E93-K113 WeakPolarHBondContact OE1-CD 3.3Å; E93-K113 IonicContact OE1-NZ 2.74Å; E93-W115 VanDerWaalsContact CD-NE1 3.29Å; E93-W115 WeakPolarHBondContact OE1-CZ2 3.46Å; E93-W115 PolarHBondContact OE1-NE1 3.28Å
94R98.6Very high96.1Very high131 Ų13157.1 Ų57.149%0.49431%0.307SS..EExtended strand (participates in β ladder)trans-140.9154.6172.460.9178.9172.1175.42110.6D82 E83 F92 Y111 V112D82-R94 PolarHBondContact N-O 2.94Å; E83-R94 HydrophobicContact CB-CG 4.01Å; E83-R94 PolarHBondContact N-O 2.85Å; E83-R94 VanDerWaalsContact N-O 3.16Å; E83-R94 PolarHBondContact O-N 2.81Å; E83-R94 IonicContact OE2-CZ 2.75Å; E83-R94 IonicContact OE2-NE 3.07Å; E83-R94 PolarHBondContact OE2-NE 3.21Å; E83-R94 IonicContact OE2-NH2 3.94Å; E83-R94 PolarHBondContact OE2-NH2 3.48Å; F92-R94 HydrophobicContact CE2-CG 4.28Å; R94-Y111 VanDerWaalsContact CA-O 3.23Å; R94-Y111 WeakPolarHBondContact CA-O 3.14Å; R94-Y111 WeakPolarHBondContact CB-O 3.29Å; R94-V112 HydrophobicContact CB-CG2 4.01Å
95G98.2Very high95.9Very high7 Ų759 Ų597%0.07232%0.322CS..EExtended strand (participates in β ladder)trans166.2-147.2173.200000111.8K80 D82 M110 Y111K80-G95 WeakPolarHBondContact O-CA 3.45Å; D82-G95 WeakPolarHBondContact OD2-CA 3.42Å; G95-M110 CarbonylContact O-C 3.53Å; G95-M110 WeakPolarHBondContact O-CA 3.21Å; G95-Y111 VanDerWaalsContact C-CD1 3.41Å; G95-Y111 PolarHBondContact N-O 3.23Å; G95-Y111 VanDerWaalsContact N-O 3.17Å; G95-Y111 WeakPolarHBondContact O-CD1 3.48Å; G95-Y111 PolarHBondContact O-N 3.35Å
96V97.7Very high95.8Very high36 Ų3658.6 Ų58.622%0.21832%0.318CS..EExtended strand (participates in β ladder)trans-127.3144.4-178.3-178.90000109.3K80 E108 R109K80-V96 CarbonylContact C-O 3.55Å; K80-V96 WeakPolarHBondContact CA-O 3.41Å; K80-V96 PolarHBondContact N-O 3.24Å; K80-V96 PolarHBondContact O-N 3.38Å; K80-V96 VanDerWaalsContact O-O 3.07Å; V96-E108 HydrophobicContact CG1-CG 3.41Å; V96-E108 VanDerWaalsContact CG1-CG 3.41Å; V96-R109 CarbonylContact C-O 3.53Å; V96-R109 VanDerWaalsContact CA-O 3.29Å; V96-R109 WeakPolarHBondContact CA-O 3.2Å
97Y96.7Very high95.8Very high9 Ų959.2 Ų59.24%0.03532%0.316CS..EExtended strand (participates in β ladder)trans-136.1150167.671.5-97.3000111.7I77 E78 L99 R109 Y111 Y127I77-Y97 HydrophobicContact CG2-CD2 3.93Å; I77-Y97 HydrophobicContact CG2-CG 4.44Å; E78-Y97 CarbonylContact O-C 3.47Å; E78-Y97 WeakPolarHBondContact O-CA 3.47Å; E78-Y97 WeakPolarHBondContact O-CB 3.5Å; Y97-L99 HydrophobicContact CD2-CD2 3.82Å; Y97-L99 HydrophobicContact CD2-CG 4.14Å; Y97-L99 HydrophobicContact CE2-CD1 4.22Å; Y97-L99 HydrophobicContact CE2-CD2 3.52Å; Y97-L99 HydrophobicContact CE2-CG 3.76Å; Y97-R109 HydrophobicContact CD1-CB 4.25Å; Y97-R109 HydrophobicContact CD2-CB 4.44Å; Y97-R109 HydrophobicContact CE1-CB 3.77Å; Y97-R109 HydrophobicContact CE2-CB 3.98Å; Y97-R109 HydrophobicContact CE2-CG 4.26Å; Y97-R109 PolarHBondContact N-O 2.98Å; Y97-R109 PolarHBondContact O-N 2.88Å; Y97-R109 WeakPolarHBondContact OH-CD 3.49Å; Y97-R109 PolarHBondContact OH-NH1 3.29Å; Y97-Y111 AromaticContact CD1-CD1 3.48Å; Y97-Y111 HydrophobicContact CD1-CD1 3.48Å; Y97-Y111 VanDerWaalsContact CD1-CD1 3.48Å; Y97-Y111 AromaticContact CD1-CE1 3.99Å; Y97-Y111 HydrophobicContact CD1-CE1 3.99Å; Y97-Y111 HydrophobicContact CD1-CG 4.03Å; Y97-Y111 HydrophobicContact CE1-CD1 4.12Å; Y97-Y111 HydrophobicContact CE1-CG 4.24Å; Y97-Y127 WeakPolarHBondContact CE1-OH 3.5Å; Y97-Y127 VanDerWaalsContact CZ-OH 3.24Å; Y97-Y127 PolarHBondContact OH-OH 2.94Å
98K96.6Very high95.9Very high88 Ų8858.3 Ų58.338%0.38330%0.303SS..EExtended strand (participates in β ladder)trans-108.8135.3177.1-70.1177.9177.5178.50109.9I77 E78 F100 Q107 E108I77-K98 WeakPolarHBondContact CA-O 3.47Å; E78-K98 PolarHBondContact N-O 2.86Å; E78-K98 PolarHBondContact O-N 3.41Å; K98-F100 HydrophobicContact CB-CD2 4.24Å; K98-F100 HydrophobicContact CB-CE2 3.42Å; K98-F100 VanDerWaalsContact CB-CE2 3.42Å; K98-F100 HydrophobicContact CB-CZ 3.9Å; K98-F100 HydrophobicContact CD-CZ 4.22Å; K98-Q107 WeakPolarHBondContact CA-O 3.09Å; K98-E108 WeakPolarHBondContact CE-OE2 2.82Å; K98-E108 HydrophobicContact CG-CB 4.34Å; K98-E108 HydrophobicContact CG-CG 4.17Å; K98-E108 IonicContact NZ-OE2 3.82Å
99L95.6Very high96.2Very high0 Ų056.8 Ų56.80%028%0.284CS..EExtended strand (participates in β ladder)trans-99.6136.7171.2-59.9-176.9000108.7L68 L72 V74 I77 Y97 I106 Q107L68-L99 HydrophobicContact CD1-CD1 4.12Å; L72-L99 HydrophobicContact CD1-CD1 4.15Å; V74-L99 HydrophobicContact CG1-CB 4.27Å; V74-L99 HydrophobicContact CG1-CD2 3.97Å; V74-L99 HydrophobicContact CG2-CB 4.1Å; V74-L99 HydrophobicContact CG2-CD1 4.02Å; V74-L99 HydrophobicContact CG2-CD2 4.35Å; V74-L99 HydrophobicContact CG2-CG 4.4Å; I77-L99 HydrophobicContact CB-CD2 4.33Å; I77-L99 HydrophobicContact CD1-CD2 3.93Å; I77-L99 HydrophobicContact CG1-CD2 3.68Å; I77-L99 HydrophobicContact CG2-CD2 4.06Å; Y97-L99 HydrophobicContact CD2-CD2 3.82Å; Y97-L99 HydrophobicContact CD2-CG 4.14Å; Y97-L99 HydrophobicContact CE2-CD1 4.22Å; Y97-L99 HydrophobicContact CE2-CD2 3.52Å; Y97-L99 HydrophobicContact CE2-CG 3.76Å; L99-I106 HydrophobicContact CB-CD1 4.48Å; L99-I106 HydrophobicContact CB-CG1 4.04Å; L99-I106 VanDerWaalsContact O-CG1 3.28Å; L99-I106 WeakPolarHBondContact O-CG1 3.21Å; L99-I106 PolarHBondContact O-N 3.37Å; L99-Q107 HydrophobicContact CB-CB 4.19Å; L99-Q107 HydrophobicContact CD1-CB 4.28Å; L99-Q107 HydrophobicContact CG-CB 4.5Å; L99-Q107 PolarHBondContact N-O 3.41Å; L99-Q107 PolarHBondContact O-N 2.93Å
100F95.3Very high96.3Very high19 Ų1957.7 Ų57.78%0.08329%0.287CS..EExtended strand (participates in β ladder)trans-125.5143.9179.2-61.8-105.4000110.5V74 T75 K76 E78 K98 K104 P105V74-F100 CarbonylContact C-O 3.5Å; V74-F100 VanDerWaalsContact CA-O 3.28Å; V74-F100 WeakPolarHBondContact CA-O 3.24Å; T75-F100 PolarHBondContact N-O 3.31Å; T75-F100 PolarHBondContact OG1-O 2.99Å; K76-F100 HydrophobicContact CB-CB 4.12Å; K76-F100 HydrophobicContact CD-CD2 4.41Å; K76-F100 HydrophobicContact CG-CD2 4.45Å; K76-F100 PolarHBondContact N-O 3.39Å; K76-F100 PolarHBondContact O-N 2.83Å; E78-F100 HydrophobicContact CB-CE2 3.92Å; E78-F100 VanDerWaalsContact CD-CE2 3.44Å; E78-F100 HydrophobicContact CG-CD2 4.28Å; E78-F100 HydrophobicContact CG-CE2 3.56Å; E78-F100 HydrophobicContact CG-CZ 4.19Å; E78-F100 WeakPolarHBondContact OE2-CE2 3.37Å; E78-F100 WeakPolarHBondContact OE2-CZ 3.43Å; K98-F100 HydrophobicContact CB-CD2 4.24Å; K98-F100 HydrophobicContact CB-CE2 3.42Å; K98-F100 VanDerWaalsContact CB-CE2 3.42Å; K98-F100 HydrophobicContact CB-CZ 3.9Å; K98-F100 HydrophobicContact CD-CZ 4.22Å; F100-K104 VanDerWaalsContact CA-O 3.22Å; F100-K104 WeakPolarHBondContact CA-O 3.42Å; F100-P105 HydrophobicContact CD1-CB 4.02Å; F100-P105 HydrophobicContact CE1-CB 3.77Å; F100-P105 HydrophobicContact CE1-CG 4.32Å; F100-P105 HydrophobicContact CZ-CB 4.35Å
101S94.4Very high96.3Very high38 Ų3852.7 Ų52.727%0.26627%0.268SS..EExtended strand (participates in β ladder)trans-109.5121.2160.9-1700000107.9H73 D103 K104H73-S101 WeakPolarHBondContact O-CB 3.41Å; H73-S101 PolarHBondContact O-OG 3.29Å; S101-D103 PolarHBondContact O-N 3.35Å; S101-K104 PolarHBondContact N-O 3.06Å; S101-K104 PolarHBondContact O-N 3.17Å
102A91.7Very high96.3Very high64 Ų6454.8 Ų54.853%0.52928%0.281SS..THydrogen-bonded Turntrans48.9-122.9-157.900000110.2T75T75-A102 WeakPolarHBondContact OG1-CA 3.45Å; T75-A102 PolarHBondContact OG1-N 3.31Å; T75-A102 PolarHBondContact OG1-O 2.85Å
103D91.8Very high96.3Very high143 Ų14352.4 Ų52.477%0.76527%0.271SS*.THydrogen-bonded Turntrans-99.12.6177.9-63.2-50.7000113.6S101S101-D103 PolarHBondContact O-N 3.35Å
104K94.7Very high96.3Very high153 Ų15354.9 Ų54.967%0.66528%0.283SS*.EExtended strand (participates in β ladder)trans-88.6122.8-179.9-175.8179.8176.8-177.50110.5F100 S101 I106F100-K104 VanDerWaalsContact CA-O 3.22Å; F100-K104 WeakPolarHBondContact CA-O 3.42Å; S101-K104 PolarHBondContact N-O 3.06Å; S101-K104 PolarHBondContact O-N 3.17Å; K104-I106 PolarHBondContact O-N 3.45Å
105P94.5Very high96.3Very high80 Ų8048.6 Ų48.652%0.51926%0.26SS..EExtended strand (participates in β ladder)trans-65.6126.517027.2-32.3000109.3F100F100-P105 HydrophobicContact CD1-CB 4.02Å; F100-P105 HydrophobicContact CE1-CB 3.77Å; F100-P105 HydrophobicContact CE1-CG 4.32Å; F100-P105 HydrophobicContact CZ-CB 4.35Å
106I95.2Very high96.4Very high61 Ų6152.2 Ų52.231%0.31327%0.271SS..EExtended strand (participates in β ladder)trans-112.1-22.7-178.658.8171000112.7L72 V74 L99 K104L72-I106 HydrophobicContact CB-CD1 3.84Å; L72-I106 WeakPolarHBondContact O-CD1 3.37Å; V74-I106 HydrophobicContact CG2-CD1 4.12Å; L99-I106 HydrophobicContact CB-CD1 4.48Å; L99-I106 HydrophobicContact CB-CG1 4.04Å; L99-I106 VanDerWaalsContact O-CG1 3.28Å; L99-I106 WeakPolarHBondContact O-CG1 3.21Å; L99-I106 PolarHBondContact O-N 3.37Å; K104-I106 PolarHBondContact O-N 3.45Å
107Q95.3Very high96.3Very high32 Ų3253.3 Ų53.315%0.1527%0.273CS..EExtended strand (participates in β ladder)trans-159.5142.9-179.9-160.4171.131.700111.3L72 K98 L99 R109 I131L72-Q107 VanDerWaalsContact CD1-OE1 3.26Å; K98-Q107 WeakPolarHBondContact CA-O 3.09Å; L99-Q107 HydrophobicContact CB-CB 4.19Å; L99-Q107 HydrophobicContact CD1-CB 4.28Å; L99-Q107 HydrophobicContact CG-CB 4.5Å; L99-Q107 PolarHBondContact N-O 3.41Å; L99-Q107 PolarHBondContact O-N 2.93Å; Q107-R109 VanDerWaalsContact CD-NE 3.35Å; Q107-R109 HydrophobicContact CG-CG 4.24Å; Q107-R109 VanDerWaalsContact OE1-CZ 3.26Å; Q107-I131 HydrophobicContact CG-CG2 3.92Å; Q107-I131 VanDerWaalsContact NE2-CG2 3.34Å
108E96.5Very high96.3Very high63 Ų6354.9 Ų54.929%0.29428%0.279SS..EExtended strand (participates in β ladder)trans-114.7142.3167.4-175.9171.5108.700109.7V96 K98 V132V96-E108 HydrophobicContact CG1-CG 3.41Å; V96-E108 VanDerWaalsContact CG1-CG 3.41Å; K98-E108 WeakPolarHBondContact CE-OE2 2.82Å; K98-E108 HydrophobicContact CG-CB 4.34Å; K98-E108 HydrophobicContact CG-CG 4.17Å; K98-E108 IonicContact NZ-OE2 3.82Å; E108-V132 HydrophobicContact CB-CB 4.14Å; E108-V132 HydrophobicContact CG-CB 4.13Å; E108-V132 HydrophobicContact CG-CG2 4.1Å; E108-V132 PolarHBondContact O-N 3.38Å
109R97.5Very high96Very high12 Ų1260.4 Ų60.45%0.04531%0.306CS..EExtended strand (participates in β ladder)trans-137.8131.8-178.4-67.3171.8-178.9-167.513.7111Y64 V96 Y97 Q107 F129 N130 I131Y64-R109 PolarHBondContact OH-NH1 3.49Å; V96-R109 CarbonylContact C-O 3.53Å; V96-R109 VanDerWaalsContact CA-O 3.29Å; V96-R109 WeakPolarHBondContact CA-O 3.2Å; Y97-R109 HydrophobicContact CD1-CB 4.25Å; Y97-R109 HydrophobicContact CD2-CB 4.44Å; Y97-R109 HydrophobicContact CE1-CB 3.77Å; Y97-R109 HydrophobicContact CE2-CB 3.98Å; Y97-R109 HydrophobicContact CE2-CG 4.26Å; Y97-R109 PolarHBondContact N-O 2.98Å; Y97-R109 PolarHBondContact O-N 2.88Å; Y97-R109 WeakPolarHBondContact OH-CD 3.49Å; Y97-R109 PolarHBondContact OH-NH1 3.29Å; Q107-R109 VanDerWaalsContact CD-NE 3.35Å; Q107-R109 HydrophobicContact CG-CG 4.24Å; Q107-R109 VanDerWaalsContact OE1-CZ 3.26Å; R109-F129 HydrophobicContact CB-CD2 4.36Å; R109-F129 HydrophobicContact CG-CD2 4.03Å; R109-F129 VanDerWaalsContact CZ-CE2 3.46Å; R109-N130 CarbonylContact C-O 3.54Å; R109-N130 WeakPolarHBondContact CA-O 3.38Å; R109-N130 WeakPolarHBondContact CB-O 3.05Å; R109-I131 HydrophobicContact CG-CG1 4.44Å
110M98Very high95.7Very high91 Ų9162.3 Ų62.345%0.44833%0.326SS..EExtended strand (participates in β ladder)trans-87.4141.416564.1178.172.900108.9G95 F129 N130 V132G95-M110 CarbonylContact O-C 3.53Å; G95-M110 WeakPolarHBondContact O-CA 3.21Å; M110-F129 CarbonylContact O-C 3.59Å; M110-F129 WeakPolarHBondContact O-CA 3.26Å; M110-F129 WeakPolarHBondContact O-CB 3.22Å; M110-N130 HydrophobicContact CG-CB 3.76Å; M110-N130 PolarHBondContact N-O 2.82Å; M110-N130 VanDerWaalsContact N-O 3.07Å; M110-N130 PolarHBondContact O-N 3.02Å; M110-N130 HydrophobicContact SD-CB 4.18Å; M110-V132 HydrophobicContact CB-CG2 4.29Å; M110-V132 HydrophobicContact CE-CG2 3.89Å; M110-V132 HydrophobicContact CG-CG2 4.43Å
111Y98.5Very high95.7Very high8 Ų867.8 Ų67.83%0.03135%0.35CS..EExtended strand (participates in β ladder)trans-144158.6-173.274.6-81.2000114.4I79 E93 R94 G95 Y97 K113 M128I79-Y111 HydrophobicContact CG2-CE1 4.15Å; I79-Y111 VanDerWaalsContact CG2-OH 3.23Å; I79-Y111 WeakPolarHBondContact CG2-OH 3.2Å; E93-Y111 HydrophobicContact CG-CE2 3.9Å; R94-Y111 VanDerWaalsContact CA-O 3.23Å; R94-Y111 WeakPolarHBondContact CA-O 3.14Å; R94-Y111 WeakPolarHBondContact CB-O 3.29Å; G95-Y111 VanDerWaalsContact C-CD1 3.41Å; G95-Y111 PolarHBondContact N-O 3.23Å; G95-Y111 VanDerWaalsContact N-O 3.17Å; G95-Y111 WeakPolarHBondContact O-CD1 3.48Å; G95-Y111 PolarHBondContact O-N 3.35Å; Y97-Y111 AromaticContact CD1-CD1 3.48Å; Y97-Y111 HydrophobicContact CD1-CD1 3.48Å; Y97-Y111 VanDerWaalsContact CD1-CD1 3.48Å; Y97-Y111 AromaticContact CD1-CE1 3.99Å; Y97-Y111 HydrophobicContact CD1-CE1 3.99Å; Y97-Y111 HydrophobicContact CD1-CG 4.03Å; Y97-Y111 HydrophobicContact CE1-CD1 4.12Å; Y97-Y111 HydrophobicContact CE1-CG 4.24Å; Y111-K113 HydrophobicContact CD2-CD 3.92Å; Y111-K113 HydrophobicContact CD2-CG 3.92Å; Y111-K113 HydrophobicContact CE2-CD 3.89Å; Y111-K113 HydrophobicContact CE2-CG 4.28Å; Y111-M128 WeakPolarHBondContact CA-O 3.16Å
112V98.8Very high95.9Very high49 Ų4966 Ų6630%0.29734%0.337SS..EExtended strand (participates in β ladder)trans-131.1129.8162.4-178.20000108.1E93 R94 I114 M128E93-V112 WeakPolarHBondContact O-CA 3.37Å; R94-V112 HydrophobicContact CB-CG2 4.01Å; V112-I114 HydrophobicContact CG1-CD1 4.07Å; V112-M128 PolarHBondContact N-O 3.03Å; V112-M128 PolarHBondContact O-N 3.32Å; V112-M128 VanDerWaalsContact O-O 3.11Å
113K98.7Very high96.2Very high12 Ų1263.8 Ų63.85%0.05232%0.316CS..EExtended strand (participates in β ladder)trans-118.7127.9170.5-72.6163.5-169.7172.40109.2Y22 F92 E93 Y111 W115 I124 S126 Y127Y22-K113 PolarHBondContact OH-NZ 3.19Å; F92-K113 CarbonylContact C-O 3.48Å; F92-K113 WeakPolarHBondContact CA-O 3.5Å; E93-K113 HydrophobicContact CG-CB 3.94Å; E93-K113 HydrophobicContact CG-CD 4.45Å; E93-K113 PolarHBondContact N-O 3.1Å; E93-K113 PolarHBondContact O-N 3.48Å; E93-K113 WeakPolarHBondContact OE1-CD 3.3Å; E93-K113 IonicContact OE1-NZ 2.74Å; Y111-K113 HydrophobicContact CD2-CD 3.92Å; Y111-K113 HydrophobicContact CD2-CG 3.92Å; Y111-K113 HydrophobicContact CE2-CD 3.89Å; Y111-K113 HydrophobicContact CE2-CG 4.28Å; K113-W115 HydrophobicContact CD-CZ2 4.1Å; K113-I124 HydrophobicContact CD-CD1 4.31Å; K113-S126 CarbonylContact C-O 3.58Å; K113-S126 WeakPolarHBondContact CA-O 3.33Å; K113-Y127 HydrophobicContact CD-CD2 4.14Å; K113-Y127 HydrophobicContact CD-CE2 4.46Å; K113-Y127 HydrophobicContact CG-CD2 3.35Å; K113-Y127 HydrophobicContact CG-CE2 4.02Å; K113-Y127 HydrophobicContact CG-CG 4.01Å
114I98.8Very high96.5Very high56 Ų5657.1 Ų57.129%0.28728%0.28SS..EExtended strand (participates in β ladder)trans-94.4121.1168.3-50.2-54.3000107.4W90 F92 V112 H125 S126W90-I114 HydrophobicContact CE3-CG2 3.9Å; W90-I114 HydrophobicContact CZ3-CG2 3.98Å; F92-I114 HydrophobicContact CB-CD1 3.64Å; V112-I114 HydrophobicContact CG1-CD1 4.07Å; I114-H125 PolarHBondContact O-N 3.34Å; I114-S126 PolarHBondContact N-O 2.96Å; I114-S126 PolarHBondContact O-N 3.09Å; I114-S126 VanDerWaalsContact O-N 3.13Å
115W98.7Very high96.7Very high0 Ų051.8 Ų51.80%026%0.258CS..EExtended strand (participates in β ladder)trans-105139.9176.7-61.186.9000109.9I18 Q21 F91 E93 K113 M122 L123 I124I18-W115 HydrophobicContact CB-CZ2 4.5Å; I18-W115 HydrophobicContact CD1-CB 4.43Å; I18-W115 HydrophobicContact CD1-CD2 3.92Å; I18-W115 HydrophobicContact CD1-CG 3.79Å; I18-W115 HydrophobicContact CG1-CD2 3.76Å; I18-W115 HydrophobicContact CG1-CE3 3.98Å; I18-W115 HydrophobicContact CG1-CG 4.15Å; I18-W115 HydrophobicContact CG1-CH2 4.43Å; I18-W115 HydrophobicContact CG1-CZ2 4.23Å; I18-W115 HydrophobicContact CG1-CZ3 4.31Å; I18-W115 HydrophobicContact CG2-CH2 4.07Å; I18-W115 HydrophobicContact CG2-CZ2 3.67Å; Q21-W115 HydrophobicContact CB-CH2 4.1Å; Q21-W115 HydrophobicContact CB-CZ3 4.06Å; Q21-W115 HydrophobicContact CG-CZ3 4.03Å; F91-W115 HydrophobicContact CB-CB 4.31Å; F91-W115 PolarHBondContact N-O 2.95Å; F91-W115 PolarHBondContact O-N 3.43Å; F91-W115 VanDerWaalsContact O-O 3.12Å; E93-W115 VanDerWaalsContact CD-NE1 3.29Å; E93-W115 WeakPolarHBondContact OE1-CZ2 3.46Å; E93-W115 PolarHBondContact OE1-NE1 3.28Å; K113-W115 HydrophobicContact CD-CZ2 4.1Å; W115-M122 HydrophobicContact CB-CE 3.42Å; W115-M122 VanDerWaalsContact CB-CE 3.42Å; W115-M122 HydrophobicContact CE3-CB 4.25Å; W115-M122 HydrophobicContact CG-CE 4.34Å; W115-L123 WeakPolarHBondContact CA-O 3.36Å; W115-L123 VanDerWaalsContact CE3-C 3.48Å; W115-I124 HydrophobicContact CD2-CG1 4.1Å; W115-I124 HydrophobicContact CE3-CG1 3.75Å; W115-I124 HydrophobicContact CH2-CD1 3.83Å; W115-I124 HydrophobicContact CH2-CG1 3.4Å; W115-I124 VanDerWaalsContact CH2-CG1 3.4Å; W115-I124 HydrophobicContact CZ2-CD1 4.11Å; W115-I124 HydrophobicContact CZ2-CG1 3.76Å; W115-I124 HydrophobicContact CZ3-CB 4.5Å; W115-I124 HydrophobicContact CZ3-CD1 4.28Å; W115-I124 HydrophobicContact CZ3-CG1 3.39Å
116R98.4Very high96.9Very high83 Ų8349.5 Ų49.531%0.31324%0.244SC..EExtended strand (participates in β ladder)trans-122.4137.7170.2178.3171.7175-167.55.1110.5D89 W90 Y118 L123 H125D89-R116 CarbonylContact O-C 3.53Å; D89-R116 WeakPolarHBondContact O-CA 3.42Å; W90-R116 HydrophobicContact CD2-CB 4.46Å; W90-R116 HydrophobicContact CD2-CG 4.43Å; W90-R116 HydrophobicContact CE3-CB 3.92Å; W90-R116 HydrophobicContact CE3-CG 4.35Å; W90-R116 HydrophobicContact CH2-CB 4.32Å; W90-R116 HydrophobicContact CH2-CG 4.38Å; W90-R116 HydrophobicContact CZ2-CG 4.41Å; W90-R116 HydrophobicContact CZ3-CB 3.84Å; W90-R116 HydrophobicContact CZ3-CG 4.32Å; R116-Y118 HydrophobicContact CB-CD2 4.23Å; R116-Y118 HydrophobicContact CB-CE2 3.62Å; R116-Y118 WeakPolarHBondContact CD-OH 3.24Å; R116-Y118 HydrophobicContact CG-CD2 4.11Å; R116-Y118 HydrophobicContact CG-CE1 4.48Å; R116-Y118 HydrophobicContact CG-CE2 3.69Å; R116-Y118 WeakPolarHBondContact O-CD2 3.21Å; R116-L123 PolarHBondContact N-O 3.31Å; R116-L123 PolarHBondContact O-N 3.39Å; R116-H125 HydrophobicContact CB-CB 4.21Å
117K97.6Very high97.1Very high58 Ų5846.8 Ų46.825%0.25223%0.23SC..EExtended strand (participates in β ladder)trans-76.3121170.7-163.3176.671.1-139.90109.2F13 G88 D89 K121 M122F13-K117 HydrophobicContact CE1-CD 3.6Å; F13-K117 HydrophobicContact CE1-CG 4.16Å; F13-K117 HydrophobicContact CZ-CD 3.99Å; F13-K117 HydrophobicContact CZ-CG 4.45Å; G88-K117 PolarHBondContact O-NZ 2.9Å; D89-K117 HydrophobicContact CB-CB 4.27Å; D89-K117 PolarHBondContact O-N 2.88Å; D89-K117 WeakPolarHBondContact OD1-CE 3.11Å; D89-K117 IonicContact OD1-NZ 2.65Å; D89-K117 PolarHBondContact OD1-NZ 3.32Å; K117-K121 CarbonylContact C-O 3.52Å; K117-K121 VanDerWaalsContact CA-O 3.32Å; K117-K121 WeakPolarHBondContact CA-O 3.28Å; K117-M122 HydrophobicContact CB-SD 3.81Å; K117-M122 HydrophobicContact CG-SD 4.17Å
118Y95.1Very high97.3Very high43 Ų4349.6 Ų49.617%0.16924%0.244CC..EExtended strand (participates in β ladder)trans-121.2118.7170.6-65.5-91.9000107.7P43 R116 G120 K121 L123P43-Y118 HydrophobicContact CG-CE1 4.1Å; R116-Y118 HydrophobicContact CB-CD2 4.23Å; R116-Y118 HydrophobicContact CB-CE2 3.62Å; R116-Y118 WeakPolarHBondContact CD-OH 3.24Å; R116-Y118 HydrophobicContact CG-CD2 4.11Å; R116-Y118 HydrophobicContact CG-CE1 4.48Å; R116-Y118 HydrophobicContact CG-CE2 3.69Å; R116-Y118 WeakPolarHBondContact O-CD2 3.21Å; Y118-G120 PolarHBondContact O-N 3.21Å; Y118-G120 VanDerWaalsContact O-N 3.08Å; Y118-K121 PolarHBondContact N-O 3.34Å; Y118-K121 PolarHBondContact O-N 2.64Å; Y118-L123 HydrophobicContact CD2-CB 3.93Å; Y118-L123 HydrophobicContact CD2-CD1 3.78Å; Y118-L123 HydrophobicContact CD2-CG 4.11Å; Y118-L123 HydrophobicContact CE2-CB 4.24Å; Y118-L123 HydrophobicContact CE2-CD1 4.49Å; Y118-L123 HydrophobicContact CG-CD1 4.22Å
119E90.8Very high97.3Very high204 Ų20447 Ų4795%0.95323%0.232SC*.THydrogen-bonded Turntrans48.743.8174.3-59.7176.9175.600113.2K121E119-K121 VanDerWaalsContact C-N 3.3Å; E119-K121 PolarHBondContact O-N 3.2Å
120G90.2Very high97.3Very high40 Ų4050.4 Ų50.441%0.41225%0.251SS..THydrogen-bonded Turntrans78.33-179.800000115.8F13 Y118F13-G120 WeakPolarHBondContact CZ-O 3.36Å; Y118-G120 PolarHBondContact O-N 3.21Å; Y118-G120 VanDerWaalsContact O-N 3.08Å
121K94.7Very high97.3Very high133 Ų13350 Ų5058%0.57825%0.25SC*.EExtended strand (participates in β ladder)trans-109.4136174.8-64179.8-177.7174.80111.2K117 Y118 E119K117-K121 CarbonylContact C-O 3.52Å; K117-K121 VanDerWaalsContact CA-O 3.32Å; K117-K121 WeakPolarHBondContact CA-O 3.28Å; Y118-K121 PolarHBondContact N-O 3.34Å; Y118-K121 PolarHBondContact O-N 2.64Å; E119-K121 VanDerWaalsContact C-N 3.3Å; E119-K121 PolarHBondContact O-N 3.2Å
122M98.2Very high97Very high0 Ų051.2 Ų51.20%026%0.258CS..EExtended strand (participates in β ladder)trans-81123.5169.3-67.9-57.4-72.800109.4F13 A14 Q17 I18 Q21 F91 W115 K117F13-M122 HydrophobicContact CE1-CG 4.17Å; F13-M122 HydrophobicContact CE1-SD 4.16Å; A14-M122 HydrophobicContact CB-CE 4.29Å; Q17-M122 HydrophobicContact CB-CB 3.94Å; Q17-M122 HydrophobicContact CB-CG 3.57Å; Q17-M122 HydrophobicContact CG-CG 4.39Å; I18-M122 HydrophobicContact CD1-CE 4.33Å; I18-M122 HydrophobicContact CG1-CB 4.1Å; I18-M122 HydrophobicContact CG1-CG 4.41Å; Q21-M122 VanDerWaalsContact CG-O 3.26Å; Q21-M122 WeakPolarHBondContact CG-O 3.28Å; Q21-M122 PolarHBondContact NE2-O 3.09Å; F91-M122 HydrophobicContact CB-CE 3.85Å; F91-M122 HydrophobicContact CD2-CE 3.19Å; F91-M122 HydrophobicContact CD2-SD 4Å; F91-M122 HydrophobicContact CE2-CE 3.87Å; F91-M122 HydrophobicContact CE2-SD 4.09Å; F91-M122 HydrophobicContact CG-CE 3.71Å; W115-M122 HydrophobicContact CB-CE 3.42Å; W115-M122 VanDerWaalsContact CB-CE 3.42Å; W115-M122 HydrophobicContact CE3-CB 4.25Å; W115-M122 HydrophobicContact CG-CE 4.34Å; K117-M122 HydrophobicContact CB-SD 3.81Å; K117-M122 HydrophobicContact CG-SD 4.17Å
123L98.6Very high96.4Very high19 Ų1954 Ų5410%0.09928%0.277CS..EExtended strand (participates in β ladder)trans-128.7146.3177.1-56.9178.1000110.7T39 I40 W115 R116 Y118 H125T39-L123 WeakPolarHBondContact O-CD2 3.41Å; I40-L123 CarbonylContact O-C 3.59Å; I40-L123 VanDerWaalsContact O-CA 3.27Å; I40-L123 WeakPolarHBondContact O-CA 3.22Å; W115-L123 WeakPolarHBondContact CA-O 3.36Å; W115-L123 VanDerWaalsContact CE3-C 3.48Å; R116-L123 PolarHBondContact N-O 3.31Å; R116-L123 PolarHBondContact O-N 3.39Å; Y118-L123 HydrophobicContact CD2-CB 3.93Å; Y118-L123 HydrophobicContact CD2-CD1 3.78Å; Y118-L123 HydrophobicContact CD2-CG 4.11Å; Y118-L123 HydrophobicContact CE2-CB 4.24Å; Y118-L123 HydrophobicContact CE2-CD1 4.49Å; Y118-L123 HydrophobicContact CG-CD1 4.22Å; L123-H125 PolarHBondContact O-N 3.27Å
124I98.6Very high95Very high2 Ų259.7 Ų59.71%0.0131%0.313CS..EExtended strand (participates in β ladder)trans-67.1118.9176.4-61-179.8000108.9I40 Y41 G42 C45 K113 W115I40-I124 HydrophobicContact CD1-CD1 3.79Å; I40-I124 HydrophobicContact CG1-CD1 4.15Å; I40-I124 PolarHBondContact O-N 3.09Å; Y41-I124 HydrophobicContact CD1-CB 3.73Å; Y41-I124 HydrophobicContact CD1-CD1 4.49Å; Y41-I124 HydrophobicContact CD1-CG2 3.79Å; Y41-I124 HydrophobicContact CE1-CB 4.03Å; Y41-I124 HydrophobicContact CE1-CD1 4.04Å; Y41-I124 HydrophobicContact CE1-CG2 3.8Å; Y41-I124 HydrophobicContact CG-CB 4.41Å; G42-I124 PolarHBondContact N-O 3.46Å; C45-I124 WeakPolarHBondContact CB-O 3.33Å; K113-I124 HydrophobicContact CD-CD1 4.31Å; W115-I124 HydrophobicContact CD2-CG1 4.1Å; W115-I124 HydrophobicContact CE3-CG1 3.75Å; W115-I124 HydrophobicContact CH2-CD1 3.83Å; W115-I124 HydrophobicContact CH2-CG1 3.4Å; W115-I124 VanDerWaalsContact CH2-CG1 3.4Å; W115-I124 HydrophobicContact CZ2-CD1 4.11Å; W115-I124 HydrophobicContact CZ2-CG1 3.76Å; W115-I124 HydrophobicContact CZ3-CB 4.5Å; W115-I124 HydrophobicContact CZ3-CD1 4.28Å; W115-I124 HydrophobicContact CZ3-CG1 3.39Å
125H98.7Very high93.4Very high42 Ų4261.4 Ų61.419%0.19434%0.335CS..EExtended strand (participates in β ladder)trans-92.7-42.4170.9-176.161.6000111.5N44 C45 T46 W90 I114 R116 L123N44-H125 PolarHBondContact O-CE1 2.81Å; C45-H125 CarbonylContact C-O 3.54Å; C45-H125 WeakPolarHBondContact CA-O 3.31Å; T46-H125 PolarHBondContact N-O 2.83Å; W90-H125 AromaticContact CH2-CD2 3.73Å; W90-H125 AromaticContact CH2-NE2 3.97Å; W90-H125 HydrophobicContact CZ3-CB 4.12Å; W90-H125 AromaticContact CZ3-CD2 3.57Å; W90-H125 AromaticContact CZ3-CG 3.88Å; I114-H125 PolarHBondContact O-N 3.34Å; R116-H125 HydrophobicContact CB-CB 4.21Å; L123-H125 PolarHBondContact O-N 3.27Å
126S98.6Very high90.9Very high32 Ų3269.7 Ų69.722%0.22440%0.404CS..EExtended strand (participates in β ladder)trans-140.2141175.3-52.60000110T46 K113 I114T46-S126 CarbonylContact O-C 3.55Å; T46-S126 WeakPolarHBondContact O-CA 3.4Å; K113-S126 CarbonylContact C-O 3.58Å; K113-S126 WeakPolarHBondContact CA-O 3.33Å; I114-S126 PolarHBondContact N-O 2.96Å; I114-S126 PolarHBondContact O-N 3.09Å; I114-S126 VanDerWaalsContact O-N 3.13Å
127Y98.6Very high90.6Very high4 Ų469.1 Ų69.12%0.01641%0.408CS..EExtended strand (participates in β ladder)trans-136.4115.9178.6169.9-140.7000109.5T46 I47 L48 Y97 K113 F129T46-Y127 PolarHBondContact O-N 2.99Å; I47-Y127 CarbonylContact C-O 3.52Å; I47-Y127 VanDerWaalsContact CA-O 3.31Å; I47-Y127 WeakPolarHBondContact CA-O 3.32Å; I47-Y127 HydrophobicContact CB-CD1 4.37Å; I47-Y127 HydrophobicContact CD1-CD1 4.38Å; I47-Y127 HydrophobicContact CG1-CD1 4.09Å; I47-Y127 HydrophobicContact CG2-CD1 3.61Å; I47-Y127 HydrophobicContact CG2-CE1 4.1Å; I47-Y127 HydrophobicContact CG2-CG 4.37Å; L48-Y127 PolarHBondContact N-O 3.31Å; Y97-Y127 WeakPolarHBondContact CE1-OH 3.5Å; Y97-Y127 VanDerWaalsContact CZ-OH 3.24Å; Y97-Y127 PolarHBondContact OH-OH 2.94Å; K113-Y127 HydrophobicContact CD-CD2 4.14Å; K113-Y127 HydrophobicContact CD-CE2 4.46Å; K113-Y127 HydrophobicContact CG-CD2 3.35Å; K113-Y127 HydrophobicContact CG-CE2 4.02Å; K113-Y127 HydrophobicContact CG-CG 4.01Å; Y127-F129 HydrophobicContact CD1-CD1 4.41Å; Y127-F129 AromaticContact CE1-CD1 3.64Å; Y127-F129 HydrophobicContact CE1-CD1 3.64Å; Y127-F129 AromaticContact CE1-CE1 3.91Å; Y127-F129 HydrophobicContact CE1-CE1 3.91Å; Y127-F129 HydrophobicContact CE2-CB 3.99Å; Y127-F129 AromaticContact CE2-CD1 3.86Å; Y127-F129 HydrophobicContact CE2-CD1 3.86Å; Y127-F129 HydrophobicContact CE2-CG 4.33Å; Y127-F129 AromaticContact CZ-CD1 3.31Å; Y127-F129 AromaticContact CZ-CG 3.96Å; Y127-F129 VanDerWaalsContact OH-CD1 3.24Å; Y127-F129 WeakPolarHBondContact OH-CD1 3.14Å
128M98.7Very high90.2Very high91 Ų9169.6 Ų69.645%0.44842%0.416SS..EExtended strand (participates in β ladder)trans-120.1141.8176.6-175.5175.571.300109.7L48 Y111 V112L48-M128 HydrophobicContact CB-CB 3.97Å; L48-M128 HydrophobicContact CB-CG 3.9Å; L48-M128 HydrophobicContact CD1-CB 4.49Å; L48-M128 HydrophobicContact CD2-SD 4.45Å; Y111-M128 WeakPolarHBondContact CA-O 3.16Å; V112-M128 PolarHBondContact N-O 3.03Å; V112-M128 PolarHBondContact O-N 3.32Å; V112-M128 VanDerWaalsContact O-O 3.11Å
129F98.4Very high89.9Confident8 Ų871.1 Ų71.14%0.03543%0.43CS..EExtended strand (participates in β ladder)trans-148.8154.3173.366.9-86.1000111.8I47 L48 A49 P50 Y64 R109 M110 Y127I47-F129 HydrophobicContact CG2-CE1 4.13Å; L48-F129 PolarHBondContact O-N 3.26Å; A49-F129 HydrophobicContact CB-CE1 3.68Å; A49-F129 HydrophobicContact CB-CZ 3.58Å; P50-F129 WeakPolarHBondContact CD-O 3.4Å; P50-F129 HydrophobicContact CG-CD2 4.24Å; P50-F129 HydrophobicContact CG-CE2 3.85Å; Y64-F129 HydrophobicContact CE2-CE1 4.33Å; Y64-F129 HydrophobicContact CE2-CZ 4.25Å; R109-F129 HydrophobicContact CB-CD2 4.36Å; R109-F129 HydrophobicContact CG-CD2 4.03Å; R109-F129 VanDerWaalsContact CZ-CE2 3.46Å; M110-F129 CarbonylContact O-C 3.59Å; M110-F129 WeakPolarHBondContact O-CA 3.26Å; M110-F129 WeakPolarHBondContact O-CB 3.22Å; Y127-F129 HydrophobicContact CD1-CD1 4.41Å; Y127-F129 AromaticContact CE1-CD1 3.64Å; Y127-F129 HydrophobicContact CE1-CD1 3.64Å; Y127-F129 AromaticContact CE1-CE1 3.91Å; Y127-F129 HydrophobicContact CE1-CE1 3.91Å; Y127-F129 HydrophobicContact CE2-CB 3.99Å; Y127-F129 AromaticContact CE2-CD1 3.86Å; Y127-F129 HydrophobicContact CE2-CD1 3.86Å; Y127-F129 HydrophobicContact CE2-CG 4.33Å; Y127-F129 AromaticContact CZ-CD1 3.31Å; Y127-F129 AromaticContact CZ-CG 3.96Å; Y127-F129 VanDerWaalsContact OH-CD1 3.24Å; Y127-F129 WeakPolarHBondContact OH-CD1 3.14Å
130N97.7Very high89.9Confident84 Ų8463.3 Ų63.345%0.44940%0.399SS..EExtended strand (participates in β ladder)trans-115.7151.5166.8-68.3-31.3000109.3R109 M110R109-N130 CarbonylContact C-O 3.54Å; R109-N130 WeakPolarHBondContact CA-O 3.38Å; R109-N130 WeakPolarHBondContact CB-O 3.05Å; M110-N130 HydrophobicContact CG-CB 3.76Å; M110-N130 PolarHBondContact N-O 2.82Å; M110-N130 VanDerWaalsContact N-O 3.07Å; M110-N130 PolarHBondContact O-N 3.02Å; M110-N130 HydrophobicContact SD-CB 4.18Å
131I96.6Very high89.8Confident82 Ų8264.8 Ų64.842%0.42140%0.398SS..EExtended strand (participates in β ladder)trans-83.1125.1171.6-58167.2000106.9P50 Q107 R109 P133P50-I131 HydrophobicContact CG-CD1 3.92Å; P50-I131 HydrophobicContact CG-CG1 3.87Å; Q107-I131 HydrophobicContact CG-CG2 3.92Å; Q107-I131 VanDerWaalsContact NE2-CG2 3.34Å; R109-I131 HydrophobicContact CG-CG1 4.44Å; I131-P133 WeakPolarHBondContact O-CD 3.39Å
132V93.4Very high89.5Confident33 Ų3360.2 Ų60.220%0.239%0.386CS..EExtended strand (participates in β ladder)trans-80.3119.4172.5-175.40000106.7E108 M110 V134E108-V132 HydrophobicContact CB-CB 4.14Å; E108-V132 HydrophobicContact CG-CB 4.13Å; E108-V132 HydrophobicContact CG-CG2 4.1Å; E108-V132 PolarHBondContact O-N 3.38Å; M110-V132 HydrophobicContact CB-CG2 4.29Å; M110-V132 HydrophobicContact CE-CG2 3.89Å; M110-V132 HydrophobicContact CG-CG2 4.43Å; V132-V134 PolarHBondContact O-N 3.37Å
133P85.7Confident88.9Confident108 Ų10864.5 Ų64.570%0.70141%0.414SS*.PPolyproline II helixtrans-57.5135.4171.5-21.133.1000109.3I131 A135I131-P133 WeakPolarHBondContact O-CD 3.39Å; P133-A135 PolarHBondContact O-N 2.81Å
134V69Low88.2Confident132 Ų13268 Ų6880%0.844%0.438SS*.PPolyproline II helixtrans-61.3125.9167-173.90000106.1V132 A136V132-V134 PolarHBondContact O-N 3.37Å; V134-A136 PolarHBondContact O-N 3.38Å
135A66.1Low87.3Confident92 Ų9273.5 Ų73.576%0.7647%0.474SS*.PPolyproline II helixtrans-55.6126.4170.700000107.8P133P133-A135 PolarHBondContact O-N 2.81Å
136A46.1Very low86.3Confident174 Ų17476.4 Ų76.4100%1.43850%0.499SS*.  trans-61.3017900000111.6V134V134-A136 PolarHBondContact O-N 3.38Å

Retrieved 136 of 136 residues in 93.5 ms (Link to these results)

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