A0A077Z6S1_TRITR Loading...

Choline:ethanolamine kinase

AlphaFold DB , UniProt , Accession A0A077Z6S1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 403 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
1M30.8Very low51.9Low244 Ų244105.4 Ų105.4100%1.20258%0.577SS**  093.90-70176.9-177.200107.5S3M1-S3 PolarHBondContact O-N 2.77Å
2A38.2Very low53Low106 Ų10697.8 Ų97.888%0.87654%0.536SS*.  trans-65.8104.5171.700000106.1A4A2-A4 PolarHBondContact O-N 2.77Å; A2-A4 VanDerWaalsContact O-N 3.17Å
3S38.6Very low54Low92 Ų9298.9 Ų98.964%0.64353%0.532SS*.  trans-41.3126.3167.3156.80000107M1 R5M1-S3 PolarHBondContact O-N 2.77Å; S3-R5 PolarHBondContact O-N 3.45Å
4A43.6Very low54.9Low102 Ų102100.6 Ų100.684%0.84354%0.541SS*.  trans-63.671.6168.700000107.2A2 S6A2-A4 PolarHBondContact O-N 2.77Å; A2-A4 VanDerWaalsContact O-N 3.17Å; A4-S6 PolarHBondContact O-N 2.95Å
5R48.3Very low55.8Low145 Ų14597.3 Ų97.355%0.54753%0.526SS..  trans-53.5119.4172.9-84-178.8170.4179.2-8.9104.4S3 K7 E33S3-R5 PolarHBondContact O-N 3.45Å; R5-K7 PolarHBondContact O-N 2.91Å; R5-E33 IonicContact CZ-OE1 2.6Å; R5-E33 IonicContact CZ-OE2 3.56Å; R5-E33 IonicContact NH1-OE1 2.69Å; R5-E33 PolarHBondContact NH1-OE1 3.17Å; R5-E33 IonicContact NH1-OE2 3.14Å; R5-E33 PolarHBondContact NH1-OE2 3.17Å; R5-E33 VanDerWaalsContact NH1-OE2 3.14Å; R5-E33 IonicContact NH2-OE1 3.17Å; R5-E33 PolarHBondContact NH2-OE1 3.45Å; R5-E33 IonicContact NH2-OE2 3.51Å
6S48Very low56.5Low59 Ų5991.3 Ų91.341%0.41349%0.493SS..  trans-36.9117.4171.4168.90000108.1A4 S8 R34A4-S6 PolarHBondContact O-N 2.95Å; S6-S8 PolarHBondContact O-N 2.94Å; S6-R34 PolarHBondContact O-NE 2.79Å; S6-R34 PolarHBondContact O-NH1 3.05Å; S6-R34 PolarHBondContact O-NH2 3.04Å
7K57.6Low57.1Low123 Ų12388.5 Ų88.554%0.53548%0.482SS..  trans-83-1.3-179.1-63.1-175.7-179.5-176.20111.9R5 C41R5-K7 PolarHBondContact O-N 2.91Å; K7-C41 PolarHBondContact NZ-SG 2.91Å
8S66.1Low57.6Low19 Ų1992.1 Ų92.113%0.13349%0.492CS..  trans-92.1123.1-174178.50000109.8S6 R10 R34 S125S6-S8 PolarHBondContact O-N 2.94Å; S8-R10 PolarHBondContact O-N 3.2Å; S8-R10 WeakPolarHBondContact OG-CB 3.19Å; S8-R10 WeakPolarHBondContact OG-CD 3.31Å; S8-R10 WeakPolarHBondContact OG-CG 3.38Å; S8-R10 PolarHBondContact OG-N 3.18Å; S8-R34 VanDerWaalsContact C-NH1 3.32Å; S8-R34 PolarHBondContact O-NH1 3.3Å; S8-S125 PolarHBondContact OG-OG 2.92Å
9F68.9Low57.9Low5 Ų587.9 Ų87.92%0.02247%0.472CS..G310 helixtrans-64.1-3.4174.5-78.1-89.5000114.1D11 L12 K13 L16 R34 A35 V38 L89 I91 F124F9-D11 PolarHBondContact O-N 3.06Å; F9-L12 HydrophobicContact CD1-CD1 4.03Å; F9-L12 HydrophobicContact CE1-CD1 4.42Å; F9-L12 PolarHBondContact O-N 2.92Å; F9-K13 PolarHBondContact O-N 2.86Å; F9-L16 HydrophobicContact CB-CD1 4.25Å; F9-L16 HydrophobicContact CD1-CD1 4Å; F9-R34 HydrophobicContact CD1-CB 4.18Å; F9-R34 HydrophobicContact CD1-CG 3.7Å; F9-R34 HydrophobicContact CD2-CG 4.03Å; F9-R34 HydrophobicContact CE1-CB 3.55Å; F9-R34 HydrophobicContact CE1-CG 3.39Å; F9-R34 HydrophobicContact CE2-CG 3.74Å; F9-R34 HydrophobicContact CG-CG 4.04Å; F9-R34 HydrophobicContact CZ-CB 3.79Å; F9-R34 HydrophobicContact CZ-CG 3.41Å; F9-R34 VanDerWaalsContact CZ-CG 3.41Å; F9-A35 HydrophobicContact CZ-CB 4.4Å; F9-V38 HydrophobicContact CE2-CG2 3.88Å; F9-L89 HydrophobicContact CE2-CD1 4.47Å; F9-L89 HydrophobicContact CE2-CD2 4.18Å; F9-L89 HydrophobicContact CZ-CD2 3.78Å; F9-I91 HydrophobicContact CB-CD1 4.32Å; F9-I91 HydrophobicContact CB-CG2 3.99Å; F9-I91 HydrophobicContact CD1-CD1 3.51Å; F9-I91 HydrophobicContact CD2-CD1 3.87Å; F9-I91 HydrophobicContact CD2-CG1 4.23Å; F9-I91 HydrophobicContact CE1-CD1 3.54Å; F9-I91 HydrophobicContact CE2-CD1 3.9Å; F9-I91 HydrophobicContact CE2-CG1 4.34Å; F9-I91 HydrophobicContact CG-CD1 3.65Å; F9-I91 HydrophobicContact CG-CG1 4.35Å; F9-I91 HydrophobicContact CG-CG2 4.37Å; F9-I91 HydrophobicContact CZ-CD1 3.73Å; F9-F124 HydrophobicContact CD2-CD2 4.5Å; F9-F124 AromaticContact CD2-CE2 3.73Å; F9-F124 HydrophobicContact CD2-CE2 3.73Å; F9-F124 HydrophobicContact CD2-CZ 4.4Å; F9-F124 AromaticContact CE2-CE2 3.96Å; F9-F124 HydrophobicContact CE2-CE2 3.96Å; F9-F124 HydrophobicContact CE2-CZ 4.22Å
10R64.9Low58.1Low174 Ų17486.8 Ų86.866%0.65747%0.465SS*.G310 helixtrans-57.4-32.9178.1-68.6-179.8-174.7-175.7-0.8112.8S8 L12 K13S8-R10 PolarHBondContact O-N 3.2Å; S8-R10 WeakPolarHBondContact OG-CB 3.19Å; S8-R10 WeakPolarHBondContact OG-CD 3.31Å; S8-R10 WeakPolarHBondContact OG-CG 3.38Å; S8-R10 PolarHBondContact OG-N 3.18Å; R10-L12 VanDerWaalsContact C-N 3.28Å; R10-L12 PolarHBondContact O-N 3.32Å; R10-K13 WeakPolarHBondContact O-CB 3.47Å; R10-K13 PolarHBondContact O-N 2.84Å
11D66.5Low58.2Low90 Ų9088.5 Ų88.548%0.48148%0.479SS..G310 helixtrans-75-16.7176.865.5-23.4000113.5F9 R34F9-D11 PolarHBondContact O-N 3.06Å; D11-R34 IonicContact OD1-CZ 3.74Å; D11-R34 IonicContact OD1-NH1 3.48Å; D11-R34 PolarHBondContact OD1-NH1 2.92Å; D11-R34 IonicContact OD1-NH2 3.42Å; D11-R34 PolarHBondContact OD1-NH2 3.16Å; D11-R34 IonicContact OD2-CZ 3.6Å; D11-R34 IonicContact OD2-NH1 3.63Å; D11-R34 IonicContact OD2-NH2 3.49Å; D11-R34 PolarHBondContact OD2-NH2 3.34Å
12L65.2Low59.7Low15 Ų1580.2 Ų80.28%0.07945%0.446CS..G310 helixtrans-98.29.6175.9-64.1177.3000112.3F9 R10 D14 V15 L16 A30 R34F9-L12 HydrophobicContact CD1-CD1 4.03Å; F9-L12 HydrophobicContact CE1-CD1 4.42Å; F9-L12 PolarHBondContact O-N 2.92Å; R10-L12 VanDerWaalsContact C-N 3.28Å; R10-L12 PolarHBondContact O-N 3.32Å; L12-D14 VanDerWaalsContact C-N 3.29Å; L12-D14 PolarHBondContact O-N 2.65Å; L12-V15 HydrophobicContact CD2-CG2 4.33Å; L12-V15 PolarHBondContact O-N 3.4Å; L12-L16 HydrophobicContact CB-CD1 4.03Å; L12-L16 HydrophobicContact CB-CG 4.27Å; L12-L16 WeakPolarHBondContact O-CB 3.49Å; L12-L16 WeakPolarHBondContact O-CG 3.28Å; L12-L16 PolarHBondContact O-N 3.09Å; L12-A30 HydrophobicContact CD2-CB 4.05Å; L12-R34 HydrophobicContact CD1-CB 3.84Å; L12-R34 HydrophobicContact CD1-CG 4.16Å
13K65.9Low60.6Low112 Ų11278.5 Ų78.549%0.48744%0.438SS..Hα-helixtrans-52.9-46.8-176.6-165.2179.7-177.3178.40111.4F9 R10 V15 L16 S17 F93F9-K13 PolarHBondContact O-N 2.86Å; R10-K13 WeakPolarHBondContact O-CB 3.47Å; R10-K13 PolarHBondContact O-N 2.84Å; K13-V15 PolarHBondContact O-N 3.01Å; K13-L16 PolarHBondContact O-N 3.1Å; K13-S17 WeakPolarHBondContact O-CB 3.35Å; K13-S17 PolarHBondContact O-N 3.4Å; K13-S17 PolarHBondContact O-OG 2.69Å; K13-F93 HydrophobicContact CG-CD1 4.15Å; K13-F93 HydrophobicContact CG-CE1 3.72Å
14D66Low62Low122 Ų12276.8 Ų76.865%0.65243%0.426SS*.Hα-helixtrans-65.7-38.4179.1-65.4-22000113.3L12 K18L12-D14 VanDerWaalsContact C-N 3.29Å; L12-D14 PolarHBondContact O-N 2.65Å; D14-K18 WeakPolarHBondContact O-CB 3.18Å; D14-K18 VanDerWaalsContact O-CG 3.3Å; D14-K18 WeakPolarHBondContact O-CG 3.43Å; D14-K18 PolarHBondContact O-N 3.01Å
15V68.1Low63Low52 Ų5277.4 Ų77.432%0.31542%0.424SS..Hα-helixtrans-67.2-41.71781780000110.1L12 K13 K18 A19 P28 V31L12-V15 HydrophobicContact CD2-CG2 4.33Å; L12-V15 PolarHBondContact O-N 3.4Å; K13-V15 PolarHBondContact O-N 3.01Å; V15-K18 PolarHBondContact O-N 3.48Å; V15-A19 WeakPolarHBondContact O-CB 3.29Å; V15-A19 PolarHBondContact O-N 2.96Å; V15-P28 HydrophobicContact CG1-CB 3.75Å; V15-P28 HydrophobicContact CG1-CG 3.74Å; V15-V31 HydrophobicContact CG1-CG2 3.94Å
16L67.9Low64.1Low0 Ų078 Ų780%043%0.428CS..Hα-helixtrans-72.6-37.8178.3-70.3167.7000112F9 L12 K13 K18 A19 L20 V31 L67 F69 I91 F93F9-L16 HydrophobicContact CB-CD1 4.25Å; F9-L16 HydrophobicContact CD1-CD1 4Å; L12-L16 HydrophobicContact CB-CD1 4.03Å; L12-L16 HydrophobicContact CB-CG 4.27Å; L12-L16 WeakPolarHBondContact O-CB 3.49Å; L12-L16 WeakPolarHBondContact O-CG 3.28Å; L12-L16 PolarHBondContact O-N 3.09Å; K13-L16 PolarHBondContact O-N 3.1Å; L16-K18 VanDerWaalsContact C-N 3.33Å; L16-K18 PolarHBondContact O-N 2.84Å; L16-A19 CarbonylContact O-C 3.58Å; L16-A19 WeakPolarHBondContact O-CB 3.48Å; L16-A19 PolarHBondContact O-N 3.38Å; L16-L20 WeakPolarHBondContact O-CB 3.38Å; L16-L20 WeakPolarHBondContact O-CG 3.48Å; L16-L20 PolarHBondContact O-N 3.22Å; L16-V31 HydrophobicContact CD2-CB 4.37Å; L16-V31 HydrophobicContact CD2-CG1 3.76Å; L16-V31 HydrophobicContact CD2-CG2 3.62Å; L16-V31 HydrophobicContact CG-CG2 4.21Å; L16-L67 HydrophobicContact CB-CD1 3.85Å; L16-L67 HydrophobicContact CD2-CD1 3.85Å; L16-L67 HydrophobicContact CG-CD1 4.31Å; L16-F69 HydrophobicContact CD2-CE2 4.18Å; L16-F69 HydrophobicContact CD2-CZ 4.06Å; L16-I91 HydrophobicContact CD1-CD1 4.37Å; L16-F93 HydrophobicContact CB-CE1 3.98Å; L16-F93 HydrophobicContact CB-CE2 4.28Å; L16-F93 HydrophobicContact CB-CZ 3.34Å; L16-F93 HydrophobicContact CD1-CE2 4.11Å; L16-F93 HydrophobicContact CD1-CZ 3.55Å; L16-F93 HydrophobicContact CG-CZ 4.03Å
17S66.3Low65.5Low45 Ų4575.6 Ų75.632%0.31541%0.41SS..Hα-helixtrans-61.9-39.4171.7-66.30000111.9K13 L20 T21K13-S17 WeakPolarHBondContact O-CB 3.35Å; K13-S17 PolarHBondContact O-N 3.4Å; K13-S17 PolarHBondContact O-OG 2.69Å; S17-L20 WeakPolarHBondContact O-CB 3.22Å; S17-L20 PolarHBondContact O-N 3.18Å; S17-T21 WeakPolarHBondContact O-CG2 3.28Å; S17-T21 PolarHBondContact O-N 3.21Å; S17-T21 VanDerWaalsContact O-N 3.1Å; S17-T21 PolarHBondContact O-OG1 3.14Å
18K66.6Low66.7Low152 Ų15271.1 Ų71.166%0.66139%0.394SS*.Hα-helixtrans-68.2-38.5172.4-72.7174.3-176.5179.30112.2D14 V15 L16 L20 T21 S22D14-K18 WeakPolarHBondContact O-CB 3.18Å; D14-K18 VanDerWaalsContact O-CG 3.3Å; D14-K18 WeakPolarHBondContact O-CG 3.43Å; D14-K18 PolarHBondContact O-N 3.01Å; V15-K18 PolarHBondContact O-N 3.48Å; L16-K18 VanDerWaalsContact C-N 3.33Å; L16-K18 PolarHBondContact O-N 2.84Å; K18-L20 VanDerWaalsContact C-N 3.29Å; K18-L20 PolarHBondContact O-N 3.21Å; K18-T21 PolarHBondContact O-N 2.64Å; K18-T21 PolarHBondContact O-OG1 3.15Å; K18-S22 VanDerWaalsContact O-CB 3.29Å; K18-S22 WeakPolarHBondContact O-CB 3.37Å; K18-S22 PolarHBondContact O-N 2.82Å; K18-S22 PolarHBondContact O-OG 2.92Å
19A63.4Low67.7Low13 Ų1375.3 Ų75.311%0.10741%0.407CS..Hα-helixtrans-64-36.917400000111.5V15 L16 S22 R59V15-A19 WeakPolarHBondContact O-CB 3.29Å; V15-A19 PolarHBondContact O-N 2.96Å; L16-A19 CarbonylContact O-C 3.58Å; L16-A19 WeakPolarHBondContact O-CB 3.48Å; L16-A19 PolarHBondContact O-N 3.38Å; A19-S22 PolarHBondContact O-OG 3.27Å; A19-R59 PolarHBondContact O-NH1 3.34Å
20L61Low68.4Low65 Ų6577 Ų7734%0.3442%0.422SS..Hα-helixtrans-58.6-52.9173.4-84.1163.7000111.4L16 S17 K18 L67 F93L16-L20 WeakPolarHBondContact O-CB 3.38Å; L16-L20 WeakPolarHBondContact O-CG 3.48Å; L16-L20 PolarHBondContact O-N 3.22Å; S17-L20 WeakPolarHBondContact O-CB 3.22Å; S17-L20 PolarHBondContact O-N 3.18Å; K18-L20 VanDerWaalsContact C-N 3.29Å; K18-L20 PolarHBondContact O-N 3.21Å; L20-L67 HydrophobicContact CD1-CD1 4.09Å; L20-L67 HydrophobicContact CD1-CD2 4.38Å; L20-L67 HydrophobicContact CD1-CG 4.22Å; L20-L67 HydrophobicContact CD2-CD1 4.42Å; L20-L67 HydrophobicContact CD2-CD2 3.29Å; L20-L67 HydrophobicContact CD2-CG 3.97Å; L20-L67 HydrophobicContact CG-CD1 4Å; L20-L67 HydrophobicContact CG-CD2 3.74Å; L20-L67 HydrophobicContact CG-CG 4.1Å; L20-F93 HydrophobicContact CD1-CE1 4.49Å
21T59.9Low69.4Low123 Ų12368.7 Ų68.776%0.75539%0.391SS*.Hα-helixtrans-78.9-24.6-172.655.50000114.4S17 K18 G23S17-T21 WeakPolarHBondContact O-CG2 3.28Å; S17-T21 PolarHBondContact O-N 3.21Å; S17-T21 VanDerWaalsContact O-N 3.1Å; S17-T21 PolarHBondContact O-OG1 3.14Å; K18-T21 PolarHBondContact O-N 2.64Å; K18-T21 PolarHBondContact O-OG1 3.15Å; T21-G23 PolarHBondContact O-N 3.25Å
22S62.4Low70.4Confident71 Ų7167.3 Ų67.350%0.49738%0.38SS..THydrogen-bonded Turntrans-71.1-15.6-175.168.50000114.8K18 A19 S24K18-S22 VanDerWaalsContact O-CB 3.29Å; K18-S22 WeakPolarHBondContact O-CB 3.37Å; K18-S22 PolarHBondContact O-N 2.82Å; K18-S22 PolarHBondContact O-OG 2.92Å; A19-S22 PolarHBondContact O-OG 3.27Å; S22-S24 PolarHBondContact O-N 2.93Å; S22-S24 WeakPolarHBondContact OG-CB 3.43Å; S22-S24 PolarHBondContact OG-N 3.37Å
23G58.5Low71.6Confident70 Ų7069 Ų6972%0.72239%0.388SS*.  trans61.21.8-171.100000114.3T21T21-G23 PolarHBondContact O-N 3.25Å
24S66Low72.7Confident55 Ų5565 Ų6539%0.38537%0.37SS..  trans-75.3138.3-175.5-168.80000110.7S22 Y26S22-S24 PolarHBondContact O-N 2.93Å; S22-S24 WeakPolarHBondContact OG-CB 3.43Å; S22-S24 PolarHBondContact OG-N 3.37Å; S24-Y26 PolarHBondContact O-N 2.99Å; S24-Y26 VanDerWaalsContact OG-CB 3.27Å; S24-Y26 WeakPolarHBondContact OG-CB 3.48Å; S24-Y26 PolarHBondContact OG-N 3.22Å; S24-Y26 VanDerWaalsContact OG-N 3.1Å
25S65.5Low73.9Confident115 Ų11559.2 Ų59.280%0.80434%0.339SS*.SBendtrans-70.6-11165.859.40000112.4L27S25-L27 PolarHBondContact O-N 3.28Å
26Y71.2Confident75Confident158 Ų15857.2 Ų57.262%0.6233%0.326SS*.PPolyproline II helixtrans-70.1122178.8-178.8-100.3000111.4S24S24-Y26 PolarHBondContact O-N 2.99Å; S24-Y26 VanDerWaalsContact OG-CB 3.27Å; S24-Y26 WeakPolarHBondContact OG-CB 3.48Å; S24-Y26 PolarHBondContact OG-N 3.22Å; S24-Y26 VanDerWaalsContact OG-N 3.1Å
27L78Confident76.1Confident9 Ų959.6 Ų59.65%0.04734%0.343CS..PPolyproline II helixtrans-97.7118.9175.5-89.7156.7000110.4S25 Y29 V31 K32 I57 F69S25-L27 PolarHBondContact O-N 3.28Å; L27-Y29 PolarHBondContact O-N 2.97Å; L27-V31 HydrophobicContact CD2-CB 4.32Å; L27-V31 HydrophobicContact CD2-CG1 3.78Å; L27-K32 HydrophobicContact CB-CD 4.44Å; L27-K32 HydrophobicContact CB-CG 4.05Å; L27-I57 HydrophobicContact CD1-CG2 4.03Å; L27-I57 VanDerWaalsContact CD1-O 3.3Å; L27-I57 WeakPolarHBondContact CD1-O 3.45Å; L27-F69 HydrophobicContact CD1-CD1 4.03Å; L27-F69 HydrophobicContact CD1-CE1 4.18Å; L27-F69 HydrophobicContact CD2-CD1 3.81Å; L27-F69 HydrophobicContact CD2-CE1 3.22Å; L27-F69 HydrophobicContact CD2-CZ 3.92Å; L27-F69 HydrophobicContact CG-CE1 4.2Å
28P83.2Confident77.4Confident29 Ų2957.7 Ų57.719%0.18833%0.329CS..PPolyproline II helixtrans-54139.6176-26.134.8000111.7V15 A30 V31 K32V15-P28 HydrophobicContact CG1-CB 3.75Å; V15-P28 HydrophobicContact CG1-CG 3.74Å; P28-A30 PolarHBondContact O-N 2.93Å; P28-A30 VanDerWaalsContact O-N 3.15Å; P28-V31 HydrophobicContact CB-CG2 4.19Å; P28-V31 HydrophobicContact CG-CG2 4.36Å; P28-V31 WeakPolarHBondContact O-CB 3.42Å; P28-V31 PolarHBondContact O-N 3.48Å; P28-K32 PolarHBondContact O-N 3.35Å
29Y85.5Confident78.7Confident106 Ų10650.5 Ų50.542%0.41630%0.298SS..Hα-helixtrans-53.2-40-177.9-177.4-93.2000112.8L27 V31 K32 E33 V52 Q53L27-Y29 PolarHBondContact O-N 2.97Å; Y29-V31 VanDerWaalsContact C-N 3.26Å; Y29-V31 PolarHBondContact O-N 2.84Å; Y29-K32 PolarHBondContact O-N 3.3Å; Y29-K32 VanDerWaalsContact O-N 3.16Å; Y29-E33 HydrophobicContact CE1-CB 4.23Å; Y29-E33 WeakPolarHBondContact O-CB 3.23Å; Y29-E33 PolarHBondContact O-N 3.09Å; Y29-V52 HydrophobicContact CD2-CG1 4.06Å; Y29-V52 HydrophobicContact CE2-CB 3.93Å; Y29-V52 HydrophobicContact CE2-CG1 3.57Å; Y29-Q53 PolarHBondContact OH-NE2 3.47Å
30A85.5Confident80.1Confident40 Ų4050.9 Ų50.933%0.33130%0.301SS..Hα-helixtrans-59.6-34.7177.300000113.2L12 P28 R34L12-A30 HydrophobicContact CD2-CB 4.05Å; P28-A30 PolarHBondContact O-N 2.93Å; P28-A30 VanDerWaalsContact O-N 3.15Å; A30-R34 WeakPolarHBondContact O-CB 3.2Å; A30-R34 PolarHBondContact O-N 3.36Å; A30-R34 VanDerWaalsContact O-N 3.09Å
31V84.6Confident81.7Confident0 Ų050.5 Ų50.50%030%0.303CS..Hα-helixtrans-70.3-45.9175.9177.90000110.1V15 L16 L27 P28 Y29 E33 R34 A35 F69V15-V31 HydrophobicContact CG1-CG2 3.94Å; L16-V31 HydrophobicContact CD2-CB 4.37Å; L16-V31 HydrophobicContact CD2-CG1 3.76Å; L16-V31 HydrophobicContact CD2-CG2 3.62Å; L16-V31 HydrophobicContact CG-CG2 4.21Å; L27-V31 HydrophobicContact CD2-CB 4.32Å; L27-V31 HydrophobicContact CD2-CG1 3.78Å; P28-V31 HydrophobicContact CB-CG2 4.19Å; P28-V31 HydrophobicContact CG-CG2 4.36Å; P28-V31 WeakPolarHBondContact O-CB 3.42Å; P28-V31 PolarHBondContact O-N 3.48Å; Y29-V31 VanDerWaalsContact C-N 3.26Å; Y29-V31 PolarHBondContact O-N 2.84Å; V31-E33 PolarHBondContact O-N 3.42Å; V31-R34 PolarHBondContact O-N 3.44Å; V31-A35 WeakPolarHBondContact O-CB 3.4Å; V31-A35 PolarHBondContact O-N 3.04Å; V31-F69 HydrophobicContact CG1-CE2 4.38Å; V31-F69 HydrophobicContact CG1-CZ 4.21Å
32K88.8Confident83.3Confident61 Ų6148.9 Ų48.927%0.26528%0.284SS..Hα-helixtrans-60-45.3176.2-64.7-171.2176.9-172.90112L27 P28 Y29 R34 A35 M36 V52 I57L27-K32 HydrophobicContact CB-CD 4.44Å; L27-K32 HydrophobicContact CB-CG 4.05Å; P28-K32 PolarHBondContact O-N 3.35Å; Y29-K32 PolarHBondContact O-N 3.3Å; Y29-K32 VanDerWaalsContact O-N 3.16Å; K32-R34 VanDerWaalsContact C-N 3.33Å; K32-R34 PolarHBondContact O-N 2.86Å; K32-A35 PolarHBondContact O-N 3.3Å; K32-M36 WeakPolarHBondContact O-CG 3.33Å; K32-M36 PolarHBondContact O-N 3.35Å; K32-V52 HydrophobicContact CB-CG1 3.61Å; K32-I57 HydrophobicContact CB-CD1 4Å; K32-I57 HydrophobicContact CG-CB 4.4Å; K32-I57 HydrophobicContact CG-CD1 4.33Å; K32-I57 WeakPolarHBondContact O-CD1 3.38Å
33E90Very high84.9Confident52 Ų5246.6 Ų46.624%0.24327%0.266CS..Hα-helixtrans-61.3-41.6178.2-173.5-177.9-128.800111.7R5 Y29 V31 S37 V52R5-E33 IonicContact CZ-OE1 2.6Å; R5-E33 IonicContact CZ-OE2 3.56Å; R5-E33 IonicContact NH1-OE1 2.69Å; R5-E33 PolarHBondContact NH1-OE1 3.17Å; R5-E33 IonicContact NH1-OE2 3.14Å; R5-E33 PolarHBondContact NH1-OE2 3.17Å; R5-E33 VanDerWaalsContact NH1-OE2 3.14Å; R5-E33 IonicContact NH2-OE1 3.17Å; R5-E33 PolarHBondContact NH2-OE1 3.45Å; R5-E33 IonicContact NH2-OE2 3.51Å; Y29-E33 HydrophobicContact CE1-CB 4.23Å; Y29-E33 WeakPolarHBondContact O-CB 3.23Å; Y29-E33 PolarHBondContact O-N 3.09Å; V31-E33 PolarHBondContact O-N 3.42Å; E33-S37 WeakPolarHBondContact O-CB 3.47Å; E33-S37 PolarHBondContact O-N 3.02Å; E33-V52 HydrophobicContact CB-CG1 4.39Å; E33-V52 HydrophobicContact CB-CG2 4.07Å; E33-V52 HydrophobicContact CG-CG2 4.1Å
34R87.9Confident86.5Confident28 Ų2843.8 Ų43.811%0.10624%0.238CC..Hα-helixtrans-69.6-42.7177.3-169.465.161.185.90.6112.2S6 S8 F9 D11 L12 A30 V31 K32 M36 S37 V38S6-R34 PolarHBondContact O-NE 2.79Å; S6-R34 PolarHBondContact O-NH1 3.05Å; S6-R34 PolarHBondContact O-NH2 3.04Å; S8-R34 VanDerWaalsContact C-NH1 3.32Å; S8-R34 PolarHBondContact O-NH1 3.3Å; F9-R34 HydrophobicContact CD1-CB 4.18Å; F9-R34 HydrophobicContact CD1-CG 3.7Å; F9-R34 HydrophobicContact CD2-CG 4.03Å; F9-R34 HydrophobicContact CE1-CB 3.55Å; F9-R34 HydrophobicContact CE1-CG 3.39Å; F9-R34 HydrophobicContact CE2-CG 3.74Å; F9-R34 HydrophobicContact CG-CG 4.04Å; F9-R34 HydrophobicContact CZ-CB 3.79Å; F9-R34 HydrophobicContact CZ-CG 3.41Å; F9-R34 VanDerWaalsContact CZ-CG 3.41Å; D11-R34 IonicContact OD1-CZ 3.74Å; D11-R34 IonicContact OD1-NH1 3.48Å; D11-R34 PolarHBondContact OD1-NH1 2.92Å; D11-R34 IonicContact OD1-NH2 3.42Å; D11-R34 PolarHBondContact OD1-NH2 3.16Å; D11-R34 IonicContact OD2-CZ 3.6Å; D11-R34 IonicContact OD2-NH1 3.63Å; D11-R34 IonicContact OD2-NH2 3.49Å; D11-R34 PolarHBondContact OD2-NH2 3.34Å; L12-R34 HydrophobicContact CD1-CB 3.84Å; L12-R34 HydrophobicContact CD1-CG 4.16Å; A30-R34 WeakPolarHBondContact O-CB 3.2Å; A30-R34 PolarHBondContact O-N 3.36Å; A30-R34 VanDerWaalsContact O-N 3.09Å; V31-R34 PolarHBondContact O-N 3.44Å; K32-R34 VanDerWaalsContact C-N 3.33Å; K32-R34 PolarHBondContact O-N 2.86Å; R34-M36 VanDerWaalsContact C-N 3.33Å; R34-M36 PolarHBondContact O-N 3.02Å; R34-S37 WeakPolarHBondContact O-CB 3.33Å; R34-S37 PolarHBondContact O-N 2.88Å; R34-V38 PolarHBondContact O-N 2.91Å
35A91Very high87.7Confident0 Ų043 Ų430%024%0.238CC..Hα-helixtrans-59.1-44175.400000111.6F9 V31 K32 V38 C39 I57 L89F9-A35 HydrophobicContact CZ-CB 4.4Å; V31-A35 WeakPolarHBondContact O-CB 3.4Å; V31-A35 PolarHBondContact O-N 3.04Å; K32-A35 PolarHBondContact O-N 3.3Å; A35-V38 PolarHBondContact O-N 2.75Å; A35-C39 PolarHBondContact O-N 2.84Å; A35-C39 PolarHBondContact O-SG 2.81Å; A35-I57 HydrophobicContact CB-CD1 3.86Å; A35-L89 HydrophobicContact CB-CD2 3.55Å
36M92.2Very high89.1Confident10 Ų1038.5 Ų38.55%0.04920%0.204CC..Hα-helixtrans-64.1-41.5174.2-75.7-53.3-68.200113K32 R34 V38 C39 A40 W47 I50 V52 A55 I57K32-M36 WeakPolarHBondContact O-CG 3.33Å; K32-M36 PolarHBondContact O-N 3.35Å; R34-M36 VanDerWaalsContact C-N 3.33Å; R34-M36 PolarHBondContact O-N 3.02Å; M36-V38 VanDerWaalsContact C-N 3.27Å; M36-V38 PolarHBondContact O-N 2.86Å; M36-C39 PolarHBondContact O-N 3.49Å; M36-A40 VanDerWaalsContact O-CB 3.28Å; M36-A40 WeakPolarHBondContact O-CB 3.43Å; M36-A40 PolarHBondContact O-N 2.85Å; M36-W47 HydrophobicContact CE-CE3 3.95Å; M36-W47 HydrophobicContact CE-CZ3 4.29Å; M36-W47 HydrophobicContact SD-CE3 4.16Å; M36-W47 HydrophobicContact SD-CZ3 3.99Å; M36-I50 HydrophobicContact CE-CB 3.85Å; M36-I50 HydrophobicContact CE-CG2 3.75Å; M36-V52 HydrophobicContact CB-CG2 4.41Å; M36-V52 HydrophobicContact CG-CG2 4.46Å; M36-A55 HydrophobicContact CE-CB 3.75Å; M36-A55 HydrophobicContact CG-CB 3.87Å; M36-A55 HydrophobicContact SD-CB 3.2Å; M36-A55 WeakPolarHBondContact SD-CB 3.48Å; M36-I57 HydrophobicContact CG-CD1 3.86Å; M36-I57 HydrophobicContact SD-CD1 4.13Å
37S91.8Very high90.2Very high50 Ų5031 Ų3135%0.3518%0.175SC..Hα-helixtrans-58.6-40.4175.1-177.30000112E33 R34 C41E33-S37 WeakPolarHBondContact O-CB 3.47Å; E33-S37 PolarHBondContact O-N 3.02Å; R34-S37 WeakPolarHBondContact O-CB 3.33Å; R34-S37 PolarHBondContact O-N 2.88Å; S37-C41 WeakPolarHBondContact O-CB 3.43Å; S37-C41 PolarHBondContact O-N 2.67Å; S37-C41 VanDerWaalsContact O-N 3.1Å
38V92.5Very high90.9Very high5 Ų537.9 Ų37.93%0.0321%0.205CC..Hα-helixtrans-66-50.6174.1170.50000111F9 R34 A35 M36 A40 C41 Y42 L89 F124F9-V38 HydrophobicContact CE2-CG2 3.88Å; R34-V38 PolarHBondContact O-N 2.91Å; A35-V38 PolarHBondContact O-N 2.75Å; M36-V38 VanDerWaalsContact C-N 3.27Å; M36-V38 PolarHBondContact O-N 2.86Å; V38-A40 PolarHBondContact O-N 2.85Å; V38-C41 WeakPolarHBondContact O-CB 3.41Å; V38-C41 PolarHBondContact O-N 2.81Å; V38-C41 VanDerWaalsContact O-N 3.09Å; V38-Y42 HydrophobicContact CG1-CD2 3.83Å; V38-Y42 HydrophobicContact CG1-CE2 4.23Å; V38-Y42 WeakPolarHBondContact O-CD2 3.46Å; V38-Y42 PolarHBondContact O-N 3.16Å; V38-L89 HydrophobicContact CG1-CD1 4.05Å; V38-F124 HydrophobicContact CG1-CD1 3.76Å; V38-F124 HydrophobicContact CG1-CE1 3.49Å; V38-F124 VanDerWaalsContact CG1-CE1 3.49Å; V38-F124 HydrophobicContact CG1-CZ 4.16Å; V38-F124 HydrophobicContact CG2-CE1 4.5Å
39C94.5Very high91.3Very high0 Ų041.6 Ų41.60%023%0.227CC..Hα-helixtrans-56.9-48.9178.9-64.20000111.7A35 M36 C41 Y42 L43 W47A35-C39 PolarHBondContact O-N 2.84Å; A35-C39 PolarHBondContact O-SG 2.81Å; M36-C39 PolarHBondContact O-N 3.49Å; C39-C41 VanDerWaalsContact C-N 3.25Å; C39-C41 PolarHBondContact O-N 2.8Å; C39-Y42 PolarHBondContact O-N 3.15Å; C39-L43 HydrophobicContact CB-CD1 4.01Å; C39-L43 VanDerWaalsContact O-CB 3.23Å; C39-L43 WeakPolarHBondContact O-CB 3.33Å; C39-L43 WeakPolarHBondContact O-CG 3.37Å; C39-L43 PolarHBondContact O-N 3.21Å; C39-W47 HydrophobicContact CB-CD2 3.96Å; C39-W47 HydrophobicContact CB-CE3 3.47Å; C39-W47 VanDerWaalsContact CB-CE3 3.47Å; C39-W47 HydrophobicContact CB-CG 4.45Å; C39-W47 HydrophobicContact CB-CZ3 3.91Å
40A93.6Very high91.6Very high21 Ų2137.7 Ų37.717%0.17421%0.213CC..Hα-helixtrans-59.1-35.3176.900000113.1M36 V38 W47 K48M36-A40 VanDerWaalsContact O-CB 3.28Å; M36-A40 WeakPolarHBondContact O-CB 3.43Å; M36-A40 PolarHBondContact O-N 2.85Å; V38-A40 PolarHBondContact O-N 2.85Å; A40-W47 WeakPolarHBondContact CB-O 3.49Å; A40-K48 HydrophobicContact CB-CG 4.18Å; A40-K48 VanDerWaalsContact O-CE 3.31Å; A40-K48 WeakPolarHBondContact O-CE 3.34Å; A40-K48 WeakPolarHBondContact O-CG 3.34Å
41C93.4Very high91.9Very high58 Ų5837.9 Ų37.939%0.39221%0.212SC..Hα-helixtrans-73.8-43.3-178.9-171.20000112.6K7 S37 V38 C39K7-C41 PolarHBondContact NZ-SG 2.91Å; S37-C41 WeakPolarHBondContact O-CB 3.43Å; S37-C41 PolarHBondContact O-N 2.67Å; S37-C41 VanDerWaalsContact O-N 3.1Å; V38-C41 WeakPolarHBondContact O-CB 3.41Å; V38-C41 PolarHBondContact O-N 2.81Å; V38-C41 VanDerWaalsContact O-N 3.09Å; C39-C41 VanDerWaalsContact C-N 3.25Å; C39-C41 PolarHBondContact O-N 2.8Å
42Y94.5Very high92.1Very high88 Ų8838.9 Ų38.935%0.34522%0.218SC..Hα-helixtrans-96.9-32.2-171.4-72.7-81.7000113.8V38 C39 I123 F124V38-Y42 HydrophobicContact CG1-CD2 3.83Å; V38-Y42 HydrophobicContact CG1-CE2 4.23Å; V38-Y42 WeakPolarHBondContact O-CD2 3.46Å; V38-Y42 PolarHBondContact O-N 3.16Å; C39-Y42 PolarHBondContact O-N 3.15Å; Y42-I123 WeakPolarHBondContact CE1-O 3.44Å; Y42-I123 VanDerWaalsContact CZ-O 3.32Å; Y42-I123 PolarHBondContact OH-O 3.29Å; Y42-F124 HydrophobicContact CE2-CB 4.01Å; Y42-F124 AromaticContact CE2-CD1 3.98Å; Y42-F124 HydrophobicContact CE2-CD1 3.98Å; Y42-F124 HydrophobicContact CE2-CG 4.37Å; Y42-F124 WeakPolarHBondContact OH-CB 3.34Å
43L94.3Very high92.1Very high23 Ų2342.5 Ų42.512%0.1224%0.236CC..THydrogen-bonded Turntrans-89.5-31.3-179.8-54.1176.2000112.1C39 W47 P84 T87 Y121 L129C39-L43 HydrophobicContact CB-CD1 4.01Å; C39-L43 VanDerWaalsContact O-CB 3.23Å; C39-L43 WeakPolarHBondContact O-CB 3.33Å; C39-L43 WeakPolarHBondContact O-CG 3.37Å; C39-L43 PolarHBondContact O-N 3.21Å; L43-W47 HydrophobicContact CB-CB 4.37Å; L43-W47 HydrophobicContact CB-CG 4Å; L43-W47 HydrophobicContact CD1-CD2 3.73Å; L43-W47 VanDerWaalsContact CD1-CE2 3.43Å; L43-W47 HydrophobicContact CD1-CG 3.81Å; L43-W47 HydrophobicContact CD1-CZ2 3.98Å; L43-P84 HydrophobicContact CD1-CG 4.19Å; L43-P84 HydrophobicContact CD2-CG 3.89Å; L43-T87 HydrophobicContact CD1-CG2 3.55Å; L43-T87 HydrophobicContact CD2-CG2 4.04Å; L43-T87 HydrophobicContact CG-CG2 4.44Å; L43-Y121 HydrophobicContact CD2-CD1 3.97Å; L43-Y121 HydrophobicContact CD2-CD2 3.99Å; L43-Y121 HydrophobicContact CD2-CG 3.58Å; L43-L129 HydrophobicContact CD1-CD2 3.93Å; L43-L129 HydrophobicContact CD2-CD2 3.66Å; L43-L129 HydrophobicContact CG-CD2 3.64Å
44G92.2Very high92.1Very high12 Ų1245 Ų4512%0.12425%0.247CC..  trans61.3-151.6-173.400000112.6W47G44-W47 WeakPolarHBondContact O-CB 3.47Å; G44-W47 PolarHBondContact O-N 3.3Å
45G92.7Very high92.1Very high38 Ų3844 Ų4439%0.39225%0.245SC..G310 helixtrans54.7-139.4179.500000113.5W47 K48G45-W47 PolarHBondContact O-N 2.91Å; G45-K48 PolarHBondContact O-N 3.29Å
46I93.7Very high92.1Very high20 Ų2048.5 Ų48.510%0.10327%0.266CS..G310 helixtrans-59.4-24.9-179.9-166.6159.3000113.4K48 T49 I50 L73 A77 V78 V80 E83I46-K48 PolarHBondContact O-N 3.04Å; I46-T49 PolarHBondContact O-N 3.1Å; I46-T49 PolarHBondContact O-OG1 3.15Å; I46-I50 HydrophobicContact CG1-CD1 4.11Å; I46-I50 HydrophobicContact CG1-CG1 4.2Å; I46-I50 WeakPolarHBondContact O-CG1 3.4Å; I46-I50 PolarHBondContact O-N 2.97Å; I46-L73 HydrophobicContact CG2-CD1 3.43Å; I46-L73 VanDerWaalsContact CG2-CD1 3.43Å; I46-L73 HydrophobicContact CG2-CD2 3.9Å; I46-L73 HydrophobicContact CG2-CG 4.34Å; I46-A77 HydrophobicContact CD1-CB 3.6Å; I46-A77 HydrophobicContact CG1-CB 4.5Å; I46-V78 WeakPolarHBondContact CD1-O 3.31Å; I46-V80 HydrophobicContact CB-CG2 4.32Å; I46-E83 HydrophobicContact CG2-CG 3.97Å; I46-E83 WeakPolarHBondContact CG2-OE1 3.39Å; I46-E83 PolarHBondContact N-OE1 3.43Å
47W94.7Very high92Very high2 Ų248.6 Ų48.61%0.00827%0.267CS..G310 helixtrans-61.3-21177.9-69.493.8000113.6M36 C39 A40 L43 G44 G45 T49 C71 L73 P84M36-W47 HydrophobicContact CE-CE3 3.95Å; M36-W47 HydrophobicContact CE-CZ3 4.29Å; M36-W47 HydrophobicContact SD-CE3 4.16Å; M36-W47 HydrophobicContact SD-CZ3 3.99Å; C39-W47 HydrophobicContact CB-CD2 3.96Å; C39-W47 HydrophobicContact CB-CE3 3.47Å; C39-W47 VanDerWaalsContact CB-CE3 3.47Å; C39-W47 HydrophobicContact CB-CG 4.45Å; C39-W47 HydrophobicContact CB-CZ3 3.91Å; A40-W47 WeakPolarHBondContact CB-O 3.49Å; L43-W47 HydrophobicContact CB-CB 4.37Å; L43-W47 HydrophobicContact CB-CG 4Å; L43-W47 HydrophobicContact CD1-CD2 3.73Å; L43-W47 VanDerWaalsContact CD1-CE2 3.43Å; L43-W47 HydrophobicContact CD1-CG 3.81Å; L43-W47 HydrophobicContact CD1-CZ2 3.98Å; G44-W47 WeakPolarHBondContact O-CB 3.47Å; G44-W47 PolarHBondContact O-N 3.3Å; G45-W47 PolarHBondContact O-N 2.91Å; W47-T49 VanDerWaalsContact C-N 3.33Å; W47-C71 HydrophobicContact CH2-CB 4.05Å; W47-C71 HydrophobicContact CZ3-CB 4.24Å; W47-L73 HydrophobicContact CD2-CD2 3.58Å; W47-L73 HydrophobicContact CD2-CG 4.37Å; W47-L73 HydrophobicContact CE3-CD2 3.84Å; W47-L73 HydrophobicContact CG-CD2 4.14Å; W47-L73 HydrophobicContact CH2-CD2 4.02Å; W47-L73 HydrophobicContact CH2-CG 4.15Å; W47-L73 HydrophobicContact CZ2-CD2 3.76Å; W47-L73 HydrophobicContact CZ2-CG 3.67Å; W47-L73 HydrophobicContact CZ3-CD2 4.05Å; W47-P84 PolarHBondContact NE1-O 3.45Å
48K93.1Very high91.9Very high152 Ų15249 Ų4966%0.66127%0.269SS*.G310 helixtrans-76.7-16.9174.3-70.8-180173.5171.80113.8A40 G45 I46A40-K48 HydrophobicContact CB-CG 4.18Å; A40-K48 VanDerWaalsContact O-CE 3.31Å; A40-K48 WeakPolarHBondContact O-CE 3.34Å; A40-K48 WeakPolarHBondContact O-CG 3.34Å; G45-K48 PolarHBondContact O-N 3.29Å; I46-K48 PolarHBondContact O-N 3.04Å
49T92.1Very high91.5Very high108 Ų10852.6 Ų52.666%0.66328%0.283SS*.THydrogen-bonded Turntrans-104.4-22.8-175.166.10000113I46 W47I46-T49 PolarHBondContact O-N 3.1Å; I46-T49 PolarHBondContact O-OG1 3.15Å; W47-T49 VanDerWaalsContact C-N 3.33Å
50I91.6Very high90.9Very high24 Ų2454.7 Ų54.712%0.12330%0.295CS..  trans-71.1128.1-179.8-60.4-54.4000110.9M36 I46 E54 A55 L73 P74 A77M36-I50 HydrophobicContact CE-CB 3.85Å; M36-I50 HydrophobicContact CE-CG2 3.75Å; I46-I50 HydrophobicContact CG1-CD1 4.11Å; I46-I50 HydrophobicContact CG1-CG1 4.2Å; I46-I50 WeakPolarHBondContact O-CG1 3.4Å; I46-I50 PolarHBondContact O-N 2.97Å; I50-E54 HydrophobicContact CG2-CB 3.88Å; I50-A55 HydrophobicContact CG2-CB 3.95Å; I50-L73 HydrophobicContact CG1-CD2 3.88Å; I50-P74 HydrophobicContact CD1-CG 3.92Å; I50-A77 HydrophobicContact CD1-CB 4.24Å
51S91.3Very high89.9Confident44 Ų4460.4 Ų60.431%0.30832%0.323SS..  trans-75.4161.7172.969.80000112.2Q53 E54 A55S51-Q53 PolarHBondContact O-N 2.78Å; S51-E54 VanDerWaalsContact CB-OE2 3.29Å; S51-E54 WeakPolarHBondContact CB-OE2 3.28Å; S51-E54 PolarHBondContact N-OE2 3.32Å; S51-E54 PolarHBondContact O-N 2.74Å; S51-E54 VanDerWaalsContact OG-CG 3.28Å; S51-E54 WeakPolarHBondContact OG-CG 3.3Å; S51-E54 PolarHBondContact OG-N 3.41Å; S51-E54 PolarHBondContact OG-OE2 3.24Å; S51-A55 PolarHBondContact O-N 3Å
52V88.7Confident88.3Confident20 Ų2059.8 Ų59.812%0.12133%0.327CS..THydrogen-bonded Turntrans-61.9-28178.3-175.70000112Y29 K32 E33 M36Y29-V52 HydrophobicContact CD2-CG1 4.06Å; Y29-V52 HydrophobicContact CE2-CB 3.93Å; Y29-V52 HydrophobicContact CE2-CG1 3.57Å; K32-V52 HydrophobicContact CB-CG1 3.61Å; E33-V52 HydrophobicContact CB-CG1 4.39Å; E33-V52 HydrophobicContact CB-CG2 4.07Å; E33-V52 HydrophobicContact CG-CG2 4.1Å; M36-V52 HydrophobicContact CB-CG2 4.41Å; M36-V52 HydrophobicContact CG-CG2 4.46Å
53Q89.2Confident86.5Confident137 Ų13757.8 Ų57.864%0.6433%0.332SS*.THydrogen-bonded Turntrans-76.1-32.9179.6-68.77511.100112.5Y29 S51Y29-Q53 PolarHBondContact OH-NE2 3.47Å; S51-Q53 PolarHBondContact O-N 2.78Å
54E89.6Confident84.6Confident104 Ų10461.9 Ų61.949%0.48635%0.352SS..THydrogen-bonded Turntrans-81.4-31-179.8-70.6162143.600112.3I50 S51 P74I50-E54 HydrophobicContact CG2-CB 3.88Å; S51-E54 VanDerWaalsContact CB-OE2 3.29Å; S51-E54 WeakPolarHBondContact CB-OE2 3.28Å; S51-E54 PolarHBondContact N-OE2 3.32Å; S51-E54 PolarHBondContact O-N 2.74Å; S51-E54 VanDerWaalsContact OG-CG 3.28Å; S51-E54 WeakPolarHBondContact OG-CG 3.3Å; S51-E54 PolarHBondContact OG-N 3.41Å; S51-E54 PolarHBondContact OG-OE2 3.24Å; E54-P74 HydrophobicContact CB-CG 4.45Å
55A87.3Confident83.2Confident8 Ų863.7 Ų63.77%0.06636%0.363CS..SBendtrans-68.6136.8-17900000113M36 I50 S51 I57M36-A55 HydrophobicContact CE-CB 3.75Å; M36-A55 HydrophobicContact CG-CB 3.87Å; M36-A55 HydrophobicContact SD-CB 3.2Å; M36-A55 WeakPolarHBondContact SD-CB 3.48Å; I50-A55 HydrophobicContact CG2-CB 3.95Å; S51-A55 PolarHBondContact O-N 3Å; A55-I57 HydrophobicContact CB-CD1 4.49Å; A55-I57 HydrophobicContact CB-CG1 4.41Å
56Q90.9Very high82.5Confident94 Ų9463.3 Ų63.344%0.43935%0.352SS..EExtended strand (participates in β ladder)trans-94.1104.3174.7-63.8-178.14.700109Q72Q56-Q72 HydrophobicContact CB-CB 4.13Å; Q56-Q72 HydrophobicContact CB-CG 4.37Å; Q56-Q72 PolarHBondContact N-O 3.48Å; Q56-Q72 PolarHBondContact O-N 3.46Å
57I90.8Very high81.8Confident13 Ų1362.6 Ų62.67%0.06735%0.349CS..EExtended strand (participates in β ladder)trans-118.1120.3177.4-56172.7000108.6L27 K32 A35 M36 A55 F69 L70L27-I57 HydrophobicContact CD1-CG2 4.03Å; L27-I57 VanDerWaalsContact CD1-O 3.3Å; L27-I57 WeakPolarHBondContact CD1-O 3.45Å; K32-I57 HydrophobicContact CB-CD1 4Å; K32-I57 HydrophobicContact CG-CB 4.4Å; K32-I57 HydrophobicContact CG-CD1 4.33Å; K32-I57 WeakPolarHBondContact O-CD1 3.38Å; A35-I57 HydrophobicContact CB-CD1 3.86Å; M36-I57 HydrophobicContact CG-CD1 3.86Å; M36-I57 HydrophobicContact SD-CD1 4.13Å; A55-I57 HydrophobicContact CB-CD1 4.49Å; A55-I57 HydrophobicContact CB-CG1 4.41Å; I57-F69 HydrophobicContact CG2-CB 4.26Å; I57-L70 WeakPolarHBondContact CA-O 3.39Å
58S89.2Confident81.5Confident57 Ų5763 Ų6340%0.39935%0.351SS..EExtended strand (participates in β ladder)trans-128.7151.3176.958.90000110.8F69 L70S58-F69 CarbonylContact O-C 3.55Å; S58-F69 VanDerWaalsContact O-CA 3.28Å; S58-F69 WeakPolarHBondContact O-CA 3.22Å; S58-L70 PolarHBondContact N-O 3.38Å; S58-L70 VanDerWaalsContact N-O 3.07Å; S58-L70 PolarHBondContact O-N 2.94Å
59R84.7Confident81.4Confident82 Ų8255.9 Ų55.931%0.30932%0.32SS..EExtended strand (participates in β ladder)trans-74.4137.1171.1-176.2176175.2-173.9-6.4108.8A19 F69A19-R59 PolarHBondContact O-NH1 3.34Å; R59-F69 HydrophobicContact CB-CD1 4.24Å; R59-F69 HydrophobicContact CB-CE1 4.06Å; R59-F69 HydrophobicContact CG-CE1 4.26Å
60V82.1Confident81.4Confident43 Ų4351.6 Ų51.626%0.26129%0.293SS..EExtended strand (participates in β ladder)trans-98.5127.3168.5-179.50000107.6L68 L70 L88V60-L68 HydrophobicContact CB-CB 3.95Å; V60-L68 PolarHBondContact N-O 2.95Å; V60-L70 HydrophobicContact CG2-CB 3.7Å; V60-L88 HydrophobicContact CB-CD1 4.3Å; V60-L88 HydrophobicContact CG2-CD1 3.71Å
61N71.9Confident81.6Confident141 Ų14150.5 Ų50.575%0.75429%0.287SS*.PPolyproline II helixtrans-78.9126.4171.5-64.9-27.3000108
62G60.3Low81.8Confident46 Ų4650.4 Ų50.447%0.47428%0.282SS..  trans145.8140.3-175.800000110.9L68G62-L68 VanDerWaalsContact O-CD1 3.28Å; G62-L68 WeakPolarHBondContact O-CD1 3.36Å
63G56Low82Confident45 Ų4549.7 Ų49.746%0.46428%0.277SS..  trans86.9126.5-17500000113.3
64M55Low82.1Confident109 Ų10944 Ų4454%0.53725%0.252SS..SBendtrans-79.9-30-178.1-65.3-163.8-73.700113W343 I353M64-W343 HydrophobicContact CE-CH2 3.89Å; M64-W343 HydrophobicContact CE-CZ2 3.83Å; M64-I353 HydrophobicContact CB-CD1 3.58Å; M64-I353 HydrophobicContact CG-CD1 3.38Å; M64-I353 HydrophobicContact SD-CD1 3.28Å; M64-I353 WeakPolarHBondContact SD-CD1 3.03Å
65S62.6Low82Confident51 Ų5143.8 Ų43.836%0.35727%0.269SS..SBendtrans-110-12.8-166.7-54.30000114.9
66N77.2Confident82.1Confident30 Ų3050 Ų5016%0.1630%0.301CS..EExtended strand (participates in β ladder)trans-131.5150.5-167.9-66.1-43.9000111.5R90 I91 Y92N66-R90 HydrophobicContact CB-CG 4.06Å; N66-I91 WeakPolarHBondContact CA-O 3.21Å; N66-Y92 WeakPolarHBondContact OD1-CA 3.48Å; N66-Y92 WeakPolarHBondContact OD1-CD1 3.29Å
67L80.1Confident82Confident5 Ų546.5 Ų46.53%0.02629%0.288CS..EExtended strand (participates in β ladder)trans-92.8128.9172.2-83.8-177.3000110.9L16 L20 F69 R90 I91 F93L16-L67 HydrophobicContact CB-CD1 3.85Å; L16-L67 HydrophobicContact CD2-CD1 3.85Å; L16-L67 HydrophobicContact CG-CD1 4.31Å; L20-L67 HydrophobicContact CD1-CD1 4.09Å; L20-L67 HydrophobicContact CD1-CD2 4.38Å; L20-L67 HydrophobicContact CD1-CG 4.22Å; L20-L67 HydrophobicContact CD2-CD1 4.42Å; L20-L67 HydrophobicContact CD2-CD2 3.29Å; L20-L67 HydrophobicContact CD2-CG 3.97Å; L20-L67 HydrophobicContact CG-CD1 4Å; L20-L67 HydrophobicContact CG-CD2 3.74Å; L20-L67 HydrophobicContact CG-CG 4.1Å; L67-F69 HydrophobicContact CB-CE2 3.92Å; L67-F69 HydrophobicContact CB-CZ 4.33Å; L67-F69 HydrophobicContact CD1-CE2 4.3Å; L67-F69 HydrophobicContact CD1-CZ 4.18Å; L67-R90 CarbonylContact O-C 3.57Å; L67-R90 WeakPolarHBondContact O-CA 3.33Å; L67-I91 HydrophobicContact CB-CB 4.25Å; L67-I91 PolarHBondContact N-O 3.44Å; L67-I91 PolarHBondContact O-N 2.78Å; L67-F93 HydrophobicContact CB-CD2 4.36Å; L67-F93 HydrophobicContact CB-CE2 4.06Å; L67-F93 HydrophobicContact CD1-CD2 4.15Å; L67-F93 HydrophobicContact CD1-CE2 3.38Å; L67-F93 HydrophobicContact CD1-CZ 3.75Å; L67-F93 HydrophobicContact CG-CD2 4.09Å; L67-F93 HydrophobicContact CG-CE2 3.78Å
68L87.5Confident81.7Confident11 Ų1151.1 Ų51.16%0.05832%0.316CS..EExtended strand (participates in β ladder)trans-112.4129.2178.5-57.8-177.9000111.3V60 G62 L88 L89 R90V60-L68 HydrophobicContact CB-CB 3.95Å; V60-L68 PolarHBondContact N-O 2.95Å; G62-L68 VanDerWaalsContact O-CD1 3.28Å; G62-L68 WeakPolarHBondContact O-CD1 3.36Å; L68-L88 HydrophobicContact CB-CD1 4.43Å; L68-L88 HydrophobicContact CD1-CD2 4.41Å; L68-L88 HydrophobicContact CD2-CD2 4.37Å; L68-L89 WeakPolarHBondContact CA-O 3.25Å; L68-R90 HydrophobicContact CD2-CB 3.68Å; L68-R90 HydrophobicContact CD2-CG 3.58Å
69F90.3Very high81.7Confident2 Ų250.7 Ų50.71%0.00931%0.312CS..EExtended strand (participates in β ladder)trans-124.6127173.9-61.3-71000110.4L16 L27 V31 I57 S58 R59 L67 L88 L89 I91L16-F69 HydrophobicContact CD2-CE2 4.18Å; L16-F69 HydrophobicContact CD2-CZ 4.06Å; L27-F69 HydrophobicContact CD1-CD1 4.03Å; L27-F69 HydrophobicContact CD1-CE1 4.18Å; L27-F69 HydrophobicContact CD2-CD1 3.81Å; L27-F69 HydrophobicContact CD2-CE1 3.22Å; L27-F69 HydrophobicContact CD2-CZ 3.92Å; L27-F69 HydrophobicContact CG-CE1 4.2Å; V31-F69 HydrophobicContact CG1-CE2 4.38Å; V31-F69 HydrophobicContact CG1-CZ 4.21Å; I57-F69 HydrophobicContact CG2-CB 4.26Å; S58-F69 CarbonylContact O-C 3.55Å; S58-F69 VanDerWaalsContact O-CA 3.28Å; S58-F69 WeakPolarHBondContact O-CA 3.22Å; R59-F69 HydrophobicContact CB-CD1 4.24Å; R59-F69 HydrophobicContact CB-CE1 4.06Å; R59-F69 HydrophobicContact CG-CE1 4.26Å; L67-F69 HydrophobicContact CB-CE2 3.92Å; L67-F69 HydrophobicContact CB-CZ 4.33Å; L67-F69 HydrophobicContact CD1-CE2 4.3Å; L67-F69 HydrophobicContact CD1-CZ 4.18Å; F69-L88 WeakPolarHBondContact O-CA 3.3Å; F69-L89 HydrophobicContact CB-CB 4.21Å; F69-L89 HydrophobicContact CB-CD2 4.48Å; F69-L89 HydrophobicContact CD2-CD2 4.35Å; F69-L89 PolarHBondContact N-O 3.14Å; F69-L89 PolarHBondContact O-N 2.76Å; F69-I91 HydrophobicContact CD2-CD1 3.97Å; F69-I91 HydrophobicContact CE2-CD1 3.77Å
70L93.3Very high81.7Confident18 Ų1852.7 Ų52.79%0.09433%0.333CS..EExtended strand (participates in β ladder)trans-80.5118.5166.3175.160.4000107.6I57 S58 V60 K86 Y132I57-L70 WeakPolarHBondContact CA-O 3.39Å; S58-L70 PolarHBondContact N-O 3.38Å; S58-L70 VanDerWaalsContact N-O 3.07Å; S58-L70 PolarHBondContact O-N 2.94Å; V60-L70 HydrophobicContact CG2-CB 3.7Å; L70-K86 HydrophobicContact CD1-CB 4.23Å; L70-Y132 HydrophobicContact CD1-CD1 3.89Å; L70-Y132 HydrophobicContact CD1-CD2 3.62Å; L70-Y132 HydrophobicContact CD1-CE1 4.26Å; L70-Y132 HydrophobicContact CD1-CE2 4.04Å; L70-Y132 HydrophobicContact CD1-CG 3.52Å; L70-Y132 HydrophobicContact CD2-CE2 4.39Å
71C95.2Very high81.9Confident0 Ų053.1 Ų53.10%035%0.347CS..EExtended strand (participates in β ladder)trans-103.8124.8171.7-54.90000108.3W47 K86 T87W47-C71 HydrophobicContact CH2-CB 4.05Å; W47-C71 HydrophobicContact CZ3-CB 4.24Å; C71-K86 CarbonylContact O-C 3.45Å; C71-K86 WeakPolarHBondContact O-CA 3.28Å; C71-T87 PolarHBondContact N-O 3.37Å; C71-T87 PolarHBondContact O-N 3.48Å
72Q95.2Very high82.6Confident43 Ų4353.3 Ų53.320%0.20135%0.348CS..EExtended strand (participates in β ladder)trans-133.8136.2-175.9167.8168.5-9.500110.9Q56 S85 K86Q56-Q72 HydrophobicContact CB-CB 4.13Å; Q56-Q72 HydrophobicContact CB-CG 4.37Å; Q56-Q72 PolarHBondContact N-O 3.48Å; Q56-Q72 PolarHBondContact O-N 3.46Å; Q72-S85 WeakPolarHBondContact CA-O 3.49Å; Q72-K86 HydrophobicContact CB-CG 4.09Å; Q72-K86 HydrophobicContact CG-CD 4.44Å; Q72-K86 HydrophobicContact CG-CG 3.96Å
73L93.9Very high84.1Confident4 Ų451.8 Ų51.82%0.02133%0.328CS..  trans-62.6151.2169.6-66.9-177.9000110.9I46 W47 I50 A77 P79 S85I46-L73 HydrophobicContact CG2-CD1 3.43Å; I46-L73 VanDerWaalsContact CG2-CD1 3.43Å; I46-L73 HydrophobicContact CG2-CD2 3.9Å; I46-L73 HydrophobicContact CG2-CG 4.34Å; W47-L73 HydrophobicContact CD2-CD2 3.58Å; W47-L73 HydrophobicContact CD2-CG 4.37Å; W47-L73 HydrophobicContact CE3-CD2 3.84Å; W47-L73 HydrophobicContact CG-CD2 4.14Å; W47-L73 HydrophobicContact CH2-CD2 4.02Å; W47-L73 HydrophobicContact CH2-CG 4.15Å; W47-L73 HydrophobicContact CZ2-CD2 3.76Å; W47-L73 HydrophobicContact CZ2-CG 3.67Å; W47-L73 HydrophobicContact CZ3-CD2 4.05Å; I50-L73 HydrophobicContact CG1-CD2 3.88Å; L73-A77 HydrophobicContact CB-CB 4.1Å; L73-A77 HydrophobicContact CD1-CB 4.45Å; L73-P79 HydrophobicContact CD1-CG 4.33Å; L73-S85 PolarHBondContact N-O 2.96Å
74P91.9Very high85.9Confident18 Ų1850.6 Ų50.612%0.11731%0.312CS..  trans-6115517228.2-33.9000110.8I50 E54 D76 A77I50-P74 HydrophobicContact CD1-CG 3.92Å; E54-P74 HydrophobicContact CB-CG 4.45Å; P74-D76 WeakPolarHBondContact CB-OD1 3.46Å; P74-D76 PolarHBondContact O-N 3.34Å; P74-D76 VanDerWaalsContact O-N 3.15Å; P74-A77 HydrophobicContact CG-CB 3.65Å; P74-A77 WeakPolarHBondContact O-CB 3.41Å; P74-A77 PolarHBondContact O-N 2.91Å
75A87.5Confident87.7Confident100 Ų10047.6 Ų47.683%0.82630%0.302SS*.THydrogen-bonded Turntrans-63.5-25-168.100000114.2
76D88.6Confident89.2Confident138 Ų13847.6 Ų47.674%0.73830%0.295SS*.THydrogen-bonded Turntrans-92.7-8179.160.9-38.1000113.6P74P74-D76 WeakPolarHBondContact CB-OD1 3.46Å; P74-D76 PolarHBondContact O-N 3.34Å; P74-D76 VanDerWaalsContact O-N 3.15Å
77A88.8Confident90.1Very high21 Ų2146.1 Ų46.117%0.17429%0.288CS..  trans-75.9127.2175.800000111.3I46 I50 L73 P74I46-A77 HydrophobicContact CD1-CB 3.6Å; I46-A77 HydrophobicContact CG1-CB 4.5Å; I50-A77 HydrophobicContact CD1-CB 4.24Å; L73-A77 HydrophobicContact CB-CB 4.1Å; L73-A77 HydrophobicContact CD1-CB 4.45Å; P74-A77 HydrophobicContact CG-CB 3.65Å; P74-A77 WeakPolarHBondContact O-CB 3.41Å; P74-A77 PolarHBondContact O-N 2.91Å
78V85.5Confident90.8Very high110 Ų11046.8 Ų46.867%0.66729%0.291SS*.  trans-106.5122.2177.3-176.10000108.8I46 V80I46-V78 WeakPolarHBondContact CD1-O 3.31Å; V78-V80 PolarHBondContact O-N 3.46Å
79P87.9Confident91.1Very high48 Ų4846.3 Ų46.331%0.31229%0.289SS..  trans-51.8136.9172.1-28.136.4000112L73 E83L73-P79 HydrophobicContact CD1-CG 4.33Å; P79-E83 WeakPolarHBondContact CA-OE1 3.27Å; P79-E83 HydrophobicContact CB-CG 4.11Å
80V84Confident91.1Very high123 Ų12347 Ų4775%0.74529%0.291SS*.SBendtrans-86.5-24.6-178.3-179.10000111.1I46 V78 E83I46-V80 HydrophobicContact CB-CG2 4.32Å; V78-V80 PolarHBondContact O-N 3.46Å; V80-E83 PolarHBondContact N-OE1 3.21Å
81G88.2Confident90.8Very high53 Ų5346.3 Ų46.355%0.54629%0.287SS..SBendtrans-139.8-133.3177.300000112.1E83G81-E83 VanDerWaalsContact C-N 3.32Å; G81-E83 WeakPolarHBondContact CA-OE2 3.44Å; G81-E83 PolarHBondContact N-OE2 3Å
82D86.7Confident90.1Very high145 Ų14547.3 Ų47.378%0.77529%0.292SS*.SBendtrans-90.68.2-179.168.7-31.5000113.4
83E91.1Very high88.9Confident14 Ų1447.3 Ų47.37%0.06529%0.291CS..  trans-67.1139.7179.674-85-154.100111.8I46 P79 V80 G81I46-E83 HydrophobicContact CG2-CG 3.97Å; I46-E83 WeakPolarHBondContact CG2-OE1 3.39Å; I46-E83 PolarHBondContact N-OE1 3.43Å; P79-E83 WeakPolarHBondContact CA-OE1 3.27Å; P79-E83 HydrophobicContact CB-CG 4.11Å; V80-E83 PolarHBondContact N-OE1 3.21Å; G81-E83 VanDerWaalsContact C-N 3.32Å; G81-E83 WeakPolarHBondContact CA-OE2 3.44Å; G81-E83 PolarHBondContact N-OE2 3Å
84P93.6Very high87.5Confident20 Ų2053.2 Ų53.213%0.1332%0.322CS..  trans-74.6148.2-178.432.5-38.9000111.4L43 W47 K86 T87 Y121L43-P84 HydrophobicContact CD1-CG 4.19Å; L43-P84 HydrophobicContact CD2-CG 3.89Å; W47-P84 PolarHBondContact NE1-O 3.45Å; P84-K86 VanDerWaalsContact C-N 3.32Å; P84-T87 HydrophobicContact CB-CG2 4.07Å; P84-T87 HydrophobicContact CG-CG2 3.3Å; P84-Y121 HydrophobicContact CB-CE2 4.12Å; P84-Y121 HydrophobicContact CG-CD2 4.23Å; P84-Y121 HydrophobicContact CG-CE1 4.02Å; P84-Y121 HydrophobicContact CG-CE2 3.65Å
85S92.7Very high86.2Confident46 Ų4655.4 Ų55.432%0.32234%0.336SS..SBendtrans-78.3-17.9171.257.70000113.8Q72 L73Q72-S85 WeakPolarHBondContact CA-O 3.49Å; L73-S85 PolarHBondContact N-O 2.96Å
86K94.6Very high85.4Confident50 Ų5055.5 Ų55.522%0.21732%0.319CS..EExtended strand (participates in β ladder)trans-139.8137.9178.3-59.3-170.5-173.1-153.80110.6L70 C71 Q72 P84 Y132L70-K86 HydrophobicContact CD1-CB 4.23Å; C71-K86 CarbonylContact O-C 3.45Å; C71-K86 WeakPolarHBondContact O-CA 3.28Å; Q72-K86 HydrophobicContact CB-CG 4.09Å; Q72-K86 HydrophobicContact CG-CD 4.44Å; Q72-K86 HydrophobicContact CG-CG 3.96Å; P84-K86 VanDerWaalsContact C-N 3.32Å; K86-Y132 HydrophobicContact CB-CD1 3.84Å; K86-Y132 HydrophobicContact CB-CG 4.32Å; K86-Y132 HydrophobicContact CD-CD1 3.73Å; K86-Y132 HydrophobicContact CD-CE1 3.88Å; K86-Y132 HydrophobicContact CG-CD1 4.44Å
87T95.5Very high84.8Confident0 Ų051.2 Ų51.20%030%0.3CS..EExtended strand (participates in β ladder)trans-139.9153.7175.258.30000110.8L43 C71 P84 Y121L43-T87 HydrophobicContact CD1-CG2 3.55Å; L43-T87 HydrophobicContact CD2-CG2 4.04Å; L43-T87 HydrophobicContact CG-CG2 4.44Å; C71-T87 PolarHBondContact N-O 3.37Å; C71-T87 PolarHBondContact O-N 3.48Å; P84-T87 HydrophobicContact CB-CG2 4.07Å; P84-T87 HydrophobicContact CG-CG2 3.3Å; T87-Y121 HydrophobicContact CG2-CD2 3.67Å; T87-Y121 HydrophobicContact CG2-CE2 3.7Å
88L95.1Very high84.4Confident19 Ų1957.8 Ų57.810%0.09933%0.327CS..EExtended strand (participates in β ladder)trans-102.3123.6171.6-162.170.7000109.4V60 L68 F69 E130 Y132V60-L88 HydrophobicContact CB-CD1 4.3Å; V60-L88 HydrophobicContact CG2-CD1 3.71Å; L68-L88 HydrophobicContact CB-CD1 4.43Å; L68-L88 HydrophobicContact CD1-CD2 4.41Å; L68-L88 HydrophobicContact CD2-CD2 4.37Å; F69-L88 WeakPolarHBondContact O-CA 3.3Å; L88-E130 HydrophobicContact CB-CG 3.8Å; L88-E130 HydrophobicContact CD2-CG 4.31Å; L88-E130 WeakPolarHBondContact CD2-OE1 3.48Å; L88-E130 HydrophobicContact CG-CG 4.42Å; L88-E130 PolarHBondContact N-O 2.9Å; L88-E130 PolarHBondContact O-N 3.02Å; L88-Y132 HydrophobicContact CD1-CD2 4.5Å
89L93.7Very high84.3Confident0 Ų057.6 Ų57.60%033%0.326CS..EExtended strand (participates in β ladder)trans-98.5116.7175.3173.468.6000108.5F9 A35 V38 L68 F69 I91 F124 L129F9-L89 HydrophobicContact CE2-CD1 4.47Å; F9-L89 HydrophobicContact CE2-CD2 4.18Å; F9-L89 HydrophobicContact CZ-CD2 3.78Å; A35-L89 HydrophobicContact CB-CD2 3.55Å; V38-L89 HydrophobicContact CG1-CD1 4.05Å; L68-L89 WeakPolarHBondContact CA-O 3.25Å; F69-L89 HydrophobicContact CB-CB 4.21Å; F69-L89 HydrophobicContact CB-CD2 4.48Å; F69-L89 HydrophobicContact CD2-CD2 4.35Å; F69-L89 PolarHBondContact N-O 3.14Å; F69-L89 PolarHBondContact O-N 2.76Å; L89-I91 HydrophobicContact CD2-CD1 4.34Å; L89-I91 HydrophobicContact CG-CG1 4.22Å; L89-F124 HydrophobicContact CD1-CE1 3.72Å; L89-F124 HydrophobicContact CD1-CZ 3.42Å; L89-F124 VanDerWaalsContact CD1-CZ 3.42Å; L89-L129 HydrophobicContact CB-CD1 3.95Å; L89-L129 HydrophobicContact CD1-CD1 4.1Å
90R90.7Very high84.1Confident17 Ų1757.6 Ų57.66%0.06432%0.321CS..EExtended strand (participates in β ladder)trans-106.6123.3177.6-176.8176.6-58.8-99.2-4.7110.4N66 L67 L68 Y92 G127 R128 E130N66-R90 HydrophobicContact CB-CG 4.06Å; L67-R90 CarbonylContact O-C 3.57Å; L67-R90 WeakPolarHBondContact O-CA 3.33Å; L68-R90 HydrophobicContact CD2-CB 3.68Å; L68-R90 HydrophobicContact CD2-CG 3.58Å; R90-Y92 HydrophobicContact CG-CD1 4.34Å; R90-Y92 HydrophobicContact CG-CE1 3.97Å; R90-G127 CarbonylContact O-C 3.56Å; R90-G127 WeakPolarHBondContact O-CA 3.19Å; R90-R128 HydrophobicContact CB-CG 4.02Å; R90-R128 VanDerWaalsContact CD-CZ 3.5Å; R90-R128 PolarHBondContact N-O 3.1Å; R90-R128 PolarHBondContact O-N 2.91Å; R90-E130 IonicContact CZ-OE1 3.66Å; R90-E130 IonicContact NE-OE1 3.97Å; R90-E130 PolarHBondContact NE-OE1 3.35Å; R90-E130 VanDerWaalsContact NE-OE1 3.1Å; R90-E130 IonicContact NE-OE2 3.79Å; R90-E130 PolarHBondContact NE-OE2 2.69Å; R90-E130 IonicContact NH2-OE1 3.64Å; R90-E130 PolarHBondContact NH2-OE1 2.62Å
91I86.3Confident84.1Confident3 Ų353.5 Ų53.52%0.01530%0.295CS..EExtended strand (participates in β ladder)trans-114.1127.5-179.5-56.1177.8000109.4F9 L16 N66 L67 F69 L89 F93 G126F9-I91 HydrophobicContact CB-CD1 4.32Å; F9-I91 HydrophobicContact CB-CG2 3.99Å; F9-I91 HydrophobicContact CD1-CD1 3.51Å; F9-I91 HydrophobicContact CD2-CD1 3.87Å; F9-I91 HydrophobicContact CD2-CG1 4.23Å; F9-I91 HydrophobicContact CE1-CD1 3.54Å; F9-I91 HydrophobicContact CE2-CD1 3.9Å; F9-I91 HydrophobicContact CE2-CG1 4.34Å; F9-I91 HydrophobicContact CG-CD1 3.65Å; F9-I91 HydrophobicContact CG-CG1 4.35Å; F9-I91 HydrophobicContact CG-CG2 4.37Å; F9-I91 HydrophobicContact CZ-CD1 3.73Å; L16-I91 HydrophobicContact CD1-CD1 4.37Å; N66-I91 WeakPolarHBondContact CA-O 3.21Å; L67-I91 HydrophobicContact CB-CB 4.25Å; L67-I91 PolarHBondContact N-O 3.44Å; L67-I91 PolarHBondContact O-N 2.78Å; F69-I91 HydrophobicContact CD2-CD1 3.97Å; F69-I91 HydrophobicContact CE2-CD1 3.77Å; L89-I91 HydrophobicContact CD2-CD1 4.34Å; L89-I91 HydrophobicContact CG-CG1 4.22Å; I91-F93 HydrophobicContact CB-CE2 4.29Å; I91-F93 HydrophobicContact CG2-CD2 4.24Å; I91-F93 HydrophobicContact CG2-CE2 3.65Å; I91-F93 HydrophobicContact CG2-CZ 4.47Å; I91-G126 WeakPolarHBondContact CA-O 3.39Å; I91-G126 WeakPolarHBondContact CG2-O 3.36Å
92Y81.2Confident84.2Confident22 Ų2255.3 Ų55.39%0.08630%0.295CS..EExtended strand (participates in β ladder)trans-87.3122.3-177.5-49.1-48.3000111N66 R90 L101 G126 G127 R128N66-Y92 WeakPolarHBondContact OD1-CA 3.48Å; N66-Y92 WeakPolarHBondContact OD1-CD1 3.29Å; R90-Y92 HydrophobicContact CG-CD1 4.34Å; R90-Y92 HydrophobicContact CG-CE1 3.97Å; Y92-L101 HydrophobicContact CD2-CD1 3.58Å; Y92-L101 HydrophobicContact CE2-CD1 3.48Å; Y92-L101 VanDerWaalsContact CE2-CD1 3.48Å; Y92-L101 HydrophobicContact CG-CD1 4.27Å; Y92-G126 PolarHBondContact N-O 2.9Å; Y92-G127 VanDerWaalsContact CD2-CA 3.49Å; Y92-G127 VanDerWaalsContact CE2-CA 3.44Å; Y92-R128 WeakPolarHBondContact OH-CD 3.28Å; Y92-R128 VanDerWaalsContact OH-CG 3.29Å; Y92-R128 WeakPolarHBondContact OH-CG 3.3Å; Y92-R128 PolarHBondContact OH-NH1 3.32Å
93F69.6Low84.3Confident42 Ų4250.7 Ų50.718%0.18427%0.272CS..SBendtrans-104-40.4176.8-87.6-96.9000113.2K13 L16 L20 L67 I91K13-F93 HydrophobicContact CG-CD1 4.15Å; K13-F93 HydrophobicContact CG-CE1 3.72Å; L16-F93 HydrophobicContact CB-CE1 3.98Å; L16-F93 HydrophobicContact CB-CE2 4.28Å; L16-F93 HydrophobicContact CB-CZ 3.34Å; L16-F93 HydrophobicContact CD1-CE2 4.11Å; L16-F93 HydrophobicContact CD1-CZ 3.55Å; L16-F93 HydrophobicContact CG-CZ 4.03Å; L20-F93 HydrophobicContact CD1-CE1 4.49Å; L67-F93 HydrophobicContact CB-CD2 4.36Å; L67-F93 HydrophobicContact CB-CE2 4.06Å; L67-F93 HydrophobicContact CD1-CD2 4.15Å; L67-F93 HydrophobicContact CD1-CE2 3.38Å; L67-F93 HydrophobicContact CD1-CZ 3.75Å; L67-F93 HydrophobicContact CG-CD2 4.09Å; L67-F93 HydrophobicContact CG-CE2 3.78Å; I91-F93 HydrophobicContact CB-CE2 4.29Å; I91-F93 HydrophobicContact CG2-CD2 4.24Å; I91-F93 HydrophobicContact CG2-CE2 3.65Å; I91-F93 HydrophobicContact CG2-CZ 4.47Å
94N64.4Low84.3Confident128 Ų12851.6 Ų51.668%0.68428%0.276SS*.  trans-118.771.6-172.4-158.113.7000110.4E96N94-E96 PolarHBondContact O-N 3.1Å
95V64.7Low84.2Confident65 Ų6551.6 Ų51.639%0.39428%0.277SS..  trans-76108.7176.3-179.50000108S97 L101V95-S97 VanDerWaalsContact C-N 3.33Å; V95-S97 VanDerWaalsContact CG1-O 3.26Å; V95-S97 WeakPolarHBondContact CG1-O 3.04Å; V95-S97 PolarHBondContact O-N 2.78Å; V95-L101 HydrophobicContact CG1-CB 3.85Å; V95-L101 HydrophobicContact CG1-CD2 4.23Å; V95-L101 HydrophobicContact CG2-CD2 4.35Å
96E69.7Low84.2Confident101 Ų10152.1 Ų52.147%0.47228%0.278SS..SBendtrans-58.8-43.2179.3-173.2179.9172.400112N94 K100 R179N94-E96 PolarHBondContact O-N 3.1Å; E96-K100 HydrophobicContact CB-CD 3.95Å; E96-K100 WeakPolarHBondContact OE2-CD 3.36Å; E96-K100 WeakPolarHBondContact OE2-CE 3.47Å; E96-K100 IonicContact OE2-NZ 3.3Å; E96-K100 PolarHBondContact OE2-NZ 3.41Å; E96-R179 IonicContact OE1-CZ 3.38Å; E96-R179 IonicContact OE1-NH1 3.1Å; E96-R179 PolarHBondContact OE1-NH1 3.37Å; E96-R179 IonicContact OE1-NH2 2.78Å
97S77Confident84.3Confident49 Ų4949.9 Ų49.934%0.34327%0.268SS..  trans-158157.4170.967.50000111.5V95 T99 K100 L101V95-S97 VanDerWaalsContact C-N 3.33Å; V95-S97 VanDerWaalsContact CG1-O 3.26Å; V95-S97 WeakPolarHBondContact CG1-O 3.04Å; V95-S97 PolarHBondContact O-N 2.78Å; S97-T99 VanDerWaalsContact C-N 3.27Å; S97-T99 PolarHBondContact O-N 2.83Å; S97-K100 PolarHBondContact O-N 2.88Å; S97-K100 WeakPolarHBondContact OG-CB 3.41Å; S97-K100 PolarHBondContact OG-N 2.85Å; S97-K100 VanDerWaalsContact OG-N 3.1Å; S97-L101 PolarHBondContact O-N 2.92Å; S97-L101 VanDerWaalsContact O-N 3.09Å
98E79.6Confident84.3Confident159 Ų15950.7 Ų50.774%0.74327%0.272SS*.Hα-helixtrans-60.4-38.9173.9-65.2-171.8161.900111.6K100 L101 V102E98-K100 PolarHBondContact O-N 3.07Å; E98-L101 PolarHBondContact O-N 3.48Å; E98-V102 WeakPolarHBondContact O-CG2 3.49Å; E98-V102 PolarHBondContact O-N 2.97Å
99T83.4Confident84.3Confident105 Ų10552.3 Ų52.364%0.64428%0.283SS*.Hα-helixtrans-61.4-42.8177.1-52.60000112.3S97 V102 T103S97-T99 VanDerWaalsContact C-N 3.27Å; S97-T99 PolarHBondContact O-N 2.83Å; T99-V102 PolarHBondContact O-N 3.43Å; T99-T103 WeakPolarHBondContact O-CB 3.45Å; T99-T103 PolarHBondContact O-N 2.97Å; T99-T103 PolarHBondContact O-OG1 2.86Å
100K84.2Confident84.5Confident49 Ų4953.6 Ų53.621%0.21329%0.289CS..Hα-helixtrans-64-45.3175.9-169.8-174.5-177.9-173.70110.8E96 S97 E98 V102 T103 E104E96-K100 HydrophobicContact CB-CD 3.95Å; E96-K100 WeakPolarHBondContact OE2-CD 3.36Å; E96-K100 WeakPolarHBondContact OE2-CE 3.47Å; E96-K100 IonicContact OE2-NZ 3.3Å; E96-K100 PolarHBondContact OE2-NZ 3.41Å; S97-K100 PolarHBondContact O-N 2.88Å; S97-K100 WeakPolarHBondContact OG-CB 3.41Å; S97-K100 PolarHBondContact OG-N 2.85Å; S97-K100 VanDerWaalsContact OG-N 3.1Å; E98-K100 PolarHBondContact O-N 3.07Å; K100-V102 VanDerWaalsContact C-N 3.34Å; K100-V102 PolarHBondContact O-N 2.89Å; K100-T103 WeakPolarHBondContact O-CB 3.33Å; K100-T103 PolarHBondContact O-N 3.25Å; K100-T103 VanDerWaalsContact O-N 3.11Å; K100-E104 WeakPolarHBondContact CE-OE1 3.46Å; K100-E104 HydrophobicContact CG-CG 4.48Å; K100-E104 WeakPolarHBondContact CG-OE1 3.42Å; K100-E104 WeakPolarHBondContact O-CG 3.43Å; K100-E104 PolarHBondContact O-N 2.84Å
101L84.7Confident84.8Confident37 Ų3752.9 Ų52.919%0.19429%0.287CS..Hα-helixtrans-59.4-43.6177.9-178.264.4000112.3Y92 V95 S97 E98 T103 E104 C105Y92-L101 HydrophobicContact CD2-CD1 3.58Å; Y92-L101 HydrophobicContact CE2-CD1 3.48Å; Y92-L101 VanDerWaalsContact CE2-CD1 3.48Å; Y92-L101 HydrophobicContact CG-CD1 4.27Å; V95-L101 HydrophobicContact CG1-CB 3.85Å; V95-L101 HydrophobicContact CG1-CD2 4.23Å; V95-L101 HydrophobicContact CG2-CD2 4.35Å; S97-L101 PolarHBondContact O-N 2.92Å; S97-L101 VanDerWaalsContact O-N 3.09Å; E98-L101 PolarHBondContact O-N 3.48Å; L101-T103 VanDerWaalsContact C-N 3.33Å; L101-E104 PolarHBondContact O-N 3.23Å; L101-C105 WeakPolarHBondContact O-CB 3.44Å; L101-C105 PolarHBondContact O-N 3.47Å; L101-C105 PolarHBondContact O-SG 3Å
102V88.7Confident85.3Confident91 Ų9153 Ų5355%0.55229%0.288SS*.Hα-helixtrans-61.7-44.6175.8171.50000110.5E98 T99 K100 C105 V106E98-V102 WeakPolarHBondContact O-CG2 3.49Å; E98-V102 PolarHBondContact O-N 2.97Å; T99-V102 PolarHBondContact O-N 3.43Å; K100-V102 VanDerWaalsContact C-N 3.34Å; K100-V102 PolarHBondContact O-N 2.89Å; V102-C105 PolarHBondContact O-N 3.11Å; V102-V106 WeakPolarHBondContact O-CG2 3.43Å; V102-V106 PolarHBondContact O-N 3.37Å
103T90.3Very high86Confident48 Ų4858.3 Ų58.329%0.29431%0.313SS..Hα-helixtrans-60.4-48.6178.8-61.10000111.6T99 K100 L101 C105 V106 I107 V166T99-T103 WeakPolarHBondContact O-CB 3.45Å; T99-T103 PolarHBondContact O-N 2.97Å; T99-T103 PolarHBondContact O-OG1 2.86Å; K100-T103 WeakPolarHBondContact O-CB 3.33Å; K100-T103 PolarHBondContact O-N 3.25Å; K100-T103 VanDerWaalsContact O-N 3.11Å; L101-T103 VanDerWaalsContact C-N 3.33Å; T103-C105 VanDerWaalsContact C-N 3.34Å; T103-C105 PolarHBondContact O-N 2.86Å; T103-V106 PolarHBondContact O-N 3.46Å; T103-I107 HydrophobicContact CG2-CD1 3.8Å; T103-I107 WeakPolarHBondContact O-CG1 3.39Å; T103-I107 PolarHBondContact O-N 3.1Å; T103-V166 HydrophobicContact CG2-CG1 3.7Å
104E90.3Very high87.2Confident32 Ų3262.9 Ų62.915%0.1533%0.329CS..Hα-helixtrans-59.7-41.9175.2-72.9175.9-152.200112K100 L101 V106 I107 F108K100-E104 WeakPolarHBondContact CE-OE1 3.46Å; K100-E104 HydrophobicContact CG-CG 4.48Å; K100-E104 WeakPolarHBondContact CG-OE1 3.42Å; K100-E104 WeakPolarHBondContact O-CG 3.43Å; K100-E104 PolarHBondContact O-N 2.84Å; L101-E104 PolarHBondContact O-N 3.23Å; E104-V106 PolarHBondContact O-N 2.94Å; E104-I107 PolarHBondContact O-N 3.49Å; E104-F108 VanDerWaalsContact O-CB 3.25Å; E104-F108 WeakPolarHBondContact O-CB 3.36Å; E104-F108 PolarHBondContact O-N 2.84Å
105C91.1Very high88.6Confident21 Ų2164.6 Ų64.614%0.14233%0.333CS..Hα-helixtrans-62.9-41.7177-68.80000111.9L101 V102 T103 T109 I123L101-C105 WeakPolarHBondContact O-CB 3.44Å; L101-C105 PolarHBondContact O-N 3.47Å; L101-C105 PolarHBondContact O-SG 3Å; V102-C105 PolarHBondContact O-N 3.11Å; T103-C105 VanDerWaalsContact C-N 3.34Å; T103-C105 PolarHBondContact O-N 2.86Å; C105-T109 VanDerWaalsContact O-CB 3.3Å; C105-T109 WeakPolarHBondContact O-CB 3.42Å; C105-T109 PolarHBondContact O-N 3.47Å; C105-T109 PolarHBondContact O-OG1 3.48Å; C105-I123 HydrophobicContact CB-CD1 4.18Å
106V94.3Very high90Very high56 Ų5662.3 Ų62.334%0.33932%0.319SS..Hα-helixtrans-64.4-47.6176.8169.10000110.8V102 T103 E104 T109 L110 P165V102-V106 WeakPolarHBondContact O-CG2 3.43Å; V102-V106 PolarHBondContact O-N 3.37Å; T103-V106 PolarHBondContact O-N 3.46Å; E104-V106 PolarHBondContact O-N 2.94Å; V106-T109 PolarHBondContact O-N 3.44Å; V106-L110 WeakPolarHBondContact O-CB 3.37Å; V106-L110 PolarHBondContact O-N 2.84Å; V106-P165 HydrophobicContact CG1-CG 3.74Å
107I95.7Very high91.1Very high4 Ų458 Ų582%0.02130%0.301CS..Hα-helixtrans-58.7-51.4177.4-71.4167.2000110.2T103 E104 T109 L110 L111 V164 V166 F230T103-I107 HydrophobicContact CG2-CD1 3.8Å; T103-I107 WeakPolarHBondContact O-CG1 3.39Å; T103-I107 PolarHBondContact O-N 3.1Å; E104-I107 PolarHBondContact O-N 3.49Å; I107-T109 PolarHBondContact O-N 3.4Å; I107-L110 PolarHBondContact O-N 3.33Å; I107-L111 HydrophobicContact CG2-CD1 3.59Å; I107-L111 HydrophobicContact CG2-CG 4.34Å; I107-L111 VanDerWaalsContact O-CG 3.31Å; I107-L111 WeakPolarHBondContact O-CG 3.41Å; I107-L111 PolarHBondContact O-N 3.46Å; I107-V164 HydrophobicContact CG1-CG1 3.93Å; I107-V166 HydrophobicContact CD1-CG1 4.46Å; I107-V166 HydrophobicContact CG1-CG1 4.35Å; I107-F230 HydrophobicContact CD1-CE2 4.1Å; I107-F230 HydrophobicContact CD1-CZ 4.08Å; I107-F230 HydrophobicContact CG1-CE2 4.25Å; I107-F230 HydrophobicContact CG1-CZ 4.04Å; I107-F230 HydrophobicContact CG2-CZ 3.82Å
108F95.1Very high92Very high17 Ų1756.1 Ų56.18%0.07529%0.288CS..Hα-helixtrans-62.3-43.6-177.6-162.2-77.2000111.8E104 L110 L111 S112 P118 L120 R128 E130E104-F108 VanDerWaalsContact O-CB 3.25Å; E104-F108 WeakPolarHBondContact O-CB 3.36Å; E104-F108 PolarHBondContact O-N 2.84Å; F108-L110 VanDerWaalsContact C-N 3.34Å; F108-L110 PolarHBondContact O-N 3.05Å; F108-L111 PolarHBondContact O-N 3.25Å; F108-S112 WeakPolarHBondContact O-CB 3.32Å; F108-S112 PolarHBondContact O-N 3.31Å; F108-P118 HydrophobicContact CZ-CB 4.21Å; F108-P118 HydrophobicContact CZ-CG 4.44Å; F108-L120 HydrophobicContact CD1-CB 3.95Å; F108-L120 HydrophobicContact CD1-CD1 3.85Å; F108-L120 HydrophobicContact CD1-CD2 4.35Å; F108-L120 HydrophobicContact CD1-CG 4.26Å; F108-L120 HydrophobicContact CE1-CB 3.9Å; F108-L120 HydrophobicContact CE1-CD1 3.89Å; F108-L120 HydrophobicContact CE1-CG 4.44Å; F108-R128 VanDerWaalsContact CD2-CZ 3.48Å; F108-E130 HydrophobicContact CE1-CB 4.13Å; F108-E130 WeakPolarHBondContact CE2-OE2 3.4Å; F108-E130 HydrophobicContact CZ-CB 3.78Å; F108-E130 HydrophobicContact CZ-CG 4.45Å; F108-E130 VanDerWaalsContact CZ-OE2 3.27Å; F108-E130 WeakPolarHBondContact CZ-OE2 3.1Å
109T96.1Very high92.8Very high53 Ų5353 Ų5333%0.32527%0.272SS..Hα-helixtrans-59.7-46.4176.5-56.10000110.5C105 V106 I107 L111 S112 E113 L120C105-T109 VanDerWaalsContact O-CB 3.3Å; C105-T109 WeakPolarHBondContact O-CB 3.42Å; C105-T109 PolarHBondContact O-N 3.47Å; C105-T109 PolarHBondContact O-OG1 3.48Å; V106-T109 PolarHBondContact O-N 3.44Å; I107-T109 PolarHBondContact O-N 3.4Å; T109-L111 PolarHBondContact O-N 2.97Å; T109-S112 WeakPolarHBondContact O-CB 3.49Å; T109-S112 PolarHBondContact O-N 3.39Å; T109-E113 WeakPolarHBondContact O-CG 3.38Å; T109-E113 PolarHBondContact O-N 2.9Å; T109-L120 HydrophobicContact CG2-CD2 4.37Å; T109-L120 WeakPolarHBondContact OG1-CD2 3.35Å
110L97Very high93.4Very high26 Ų2649.5 Ų49.514%0.13625%0.249CC..Hα-helixtrans-63.1-43.9179-172.8155.4000111.8V106 I107 F108 E113 R114 L162 V164V106-L110 WeakPolarHBondContact O-CB 3.37Å; V106-L110 PolarHBondContact O-N 2.84Å; I107-L110 PolarHBondContact O-N 3.33Å; F108-L110 VanDerWaalsContact C-N 3.34Å; F108-L110 PolarHBondContact O-N 3.05Å; L110-E113 PolarHBondContact O-N 3.13Å; L110-R114 HydrophobicContact CD2-CG 4.07Å; L110-R114 WeakPolarHBondContact O-CB 3.1Å; L110-R114 VanDerWaalsContact O-CG 3.22Å; L110-R114 WeakPolarHBondContact O-CG 3.47Å; L110-R114 PolarHBondContact O-N 3.24Å; L110-L162 HydrophobicContact CD2-CD1 4.13Å; L110-L162 HydrophobicContact CD2-CD2 4.15Å; L110-V164 HydrophobicContact CD1-CB 4.39Å; L110-V164 HydrophobicContact CD1-CG1 4.33Å; L110-V164 HydrophobicContact CD1-CG2 4.2Å; L110-V164 HydrophobicContact CD2-CG2 4.22Å
111L96.9Very high94Very high3 Ų349.4 Ų49.42%0.01625%0.248CC..Hα-helixtrans-63.8-40.2178.7-70.7165.8000112.3I107 F108 T109 R114 H115 L116 G117 I159 L162 Y258I107-L111 HydrophobicContact CG2-CD1 3.59Å; I107-L111 HydrophobicContact CG2-CG 4.34Å; I107-L111 VanDerWaalsContact O-CG 3.31Å; I107-L111 WeakPolarHBondContact O-CG 3.41Å; I107-L111 PolarHBondContact O-N 3.46Å; F108-L111 PolarHBondContact O-N 3.25Å; T109-L111 PolarHBondContact O-N 2.97Å; L111-R114 PolarHBondContact O-N 3.27Å; L111-H115 PolarHBondContact O-N 2.71Å; L111-H115 VanDerWaalsContact O-N 3.14Å; L111-L116 HydrophobicContact CD2-CB 3.99Å; L111-L116 PolarHBondContact O-N 2.87Å; L111-G117 PolarHBondContact O-N 3.38Å; L111-I159 HydrophobicContact CD2-CD1 3.92Å; L111-L162 HydrophobicContact CD2-CD1 3.68Å; L111-Y258 HydrophobicContact CD1-CD1 3.52Å; L111-Y258 HydrophobicContact CD1-CD2 3.5Å; L111-Y258 HydrophobicContact CD1-CE1 3.65Å; L111-Y258 HydrophobicContact CD1-CE2 3.62Å; L111-Y258 HydrophobicContact CD1-CG 3.44Å; L111-Y258 VanDerWaalsContact CD1-CG 3.44Å; L111-Y258 HydrophobicContact CD2-CE1 4.02Å
112S96.6Very high94.4Very high6 Ų648 Ų484%0.04224%0.242CC..Hα-helixtrans-57.6-53.9172.4168.40000110.9F108 T109 R114 H115 K119 L120F108-S112 WeakPolarHBondContact O-CB 3.32Å; F108-S112 PolarHBondContact O-N 3.31Å; T109-S112 WeakPolarHBondContact O-CB 3.49Å; T109-S112 PolarHBondContact O-N 3.39Å; S112-R114 PolarHBondContact O-N 2.9Å; S112-R114 VanDerWaalsContact O-N 3.16Å; S112-H115 PolarHBondContact O-N 3.11Å; S112-K119 WeakPolarHBondContact OG-CA 3.29Å; S112-L120 PolarHBondContact OG-N 3.46Å
113E96.3Very high94.6Very high132 Ų13247.1 Ų47.162%0.61723%0.233SC*.Hα-helixtrans-66-19.8-178.2-67.3-55110.100113.5T109 L110T109-E113 WeakPolarHBondContact O-CG 3.38Å; T109-E113 PolarHBondContact O-N 2.9Å; L110-E113 PolarHBondContact O-N 3.13Å
114R95.2Very high94.5Very high138 Ų13845.7 Ų45.752%0.52122%0.223SC..THydrogen-bonded Turntrans-96.71.5175.8-61.5-62.2174.273.83.3113.8L110 L111 S112 L116 L162L110-R114 HydrophobicContact CD2-CG 4.07Å; L110-R114 WeakPolarHBondContact O-CB 3.1Å; L110-R114 VanDerWaalsContact O-CG 3.22Å; L110-R114 WeakPolarHBondContact O-CG 3.47Å; L110-R114 PolarHBondContact O-N 3.24Å; L111-R114 PolarHBondContact O-N 3.27Å; S112-R114 PolarHBondContact O-N 2.9Å; S112-R114 VanDerWaalsContact O-N 3.16Å; R114-L116 HydrophobicContact CB-CD1 3.92Å; R114-L116 HydrophobicContact CB-CG 4.23Å; R114-L116 PolarHBondContact O-N 3.26Å; R114-L162 HydrophobicContact CG-CD2 4.36Å
115H93.8Very high94.1Very high164 Ų16447 Ų4776%0.75924%0.236SC*.THydrogen-bonded Turntrans56.137-176.8-47.290.1000112.6L111 S112L111-H115 PolarHBondContact O-N 2.71Å; L111-H115 VanDerWaalsContact O-N 3.14Å; S112-H115 PolarHBondContact O-N 3.11Å
116L94.6Very high93.7Very high18 Ų1846.6 Ų46.69%0.09424%0.235CC..SBendtrans-111.4-2.2179.9-71.2169.2000113.1L111 R114 K155 R158 I159 L162 Y258L111-L116 HydrophobicContact CD2-CB 3.99Å; L111-L116 PolarHBondContact O-N 2.87Å; R114-L116 HydrophobicContact CB-CD1 3.92Å; R114-L116 HydrophobicContact CB-CG 4.23Å; R114-L116 PolarHBondContact O-N 3.26Å; L116-K155 HydrophobicContact CD2-CD 4.19Å; L116-R158 HydrophobicContact CD2-CB 3.89Å; L116-I159 HydrophobicContact CB-CD1 3.77Å; L116-I159 HydrophobicContact CD1-CD1 4.07Å; L116-I159 HydrophobicContact CD2-CD1 4.24Å; L116-I159 HydrophobicContact CG-CD1 4.23Å; L116-L162 HydrophobicContact CD1-CD1 3.88Å; L116-L162 HydrophobicContact CD1-CD2 3.71Å; L116-L162 HydrophobicContact CD1-CG 4.09Å; L116-Y258 PolarHBondContact O-OH 2.96Å
117G92.9Very high93.4Very high10 Ų1043.9 Ų43.910%0.10322%0.219CC..SBendtrans-150.6-173.1170.500000110.1L111L111-G117 PolarHBondContact O-N 3.38Å
118P94.8Very high93.3Very high10 Ų1044.4 Ų44.47%0.06522%0.221CC..PPolyproline II helixtrans-59.8143.4177.1-19.631.1000112F108 L120 E131 I133 I256F108-P118 HydrophobicContact CZ-CB 4.21Å; F108-P118 HydrophobicContact CZ-CG 4.44Å; P118-L120 PolarHBondContact O-N 2.94Å; P118-E131 HydrophobicContact CB-CB 4.07Å; P118-I133 HydrophobicContact CB-CD1 4.11Å; P118-I133 HydrophobicContact CG-CD1 3.96Å; P118-I256 HydrophobicContact CG-CG2 3.96Å
119K96.1Very high93.3Very high94 Ų9443.6 Ų43.641%0.40922%0.217SC..PPolyproline II helixtrans-61.9136.6174.2-172.7176.9178.4-178.90111S112 Y121 E130 E131S112-K119 WeakPolarHBondContact OG-CA 3.29Å; K119-Y121 HydrophobicContact CD-CD1 4.43Å; K119-Y121 HydrophobicContact CD-CE1 3.72Å; K119-Y121 HydrophobicContact CG-CE1 4.15Å; K119-E130 CarbonylContact O-C 3.45Å; K119-E130 WeakPolarHBondContact O-CA 3.37Å; K119-E131 HydrophobicContact CB-CB 3.92Å; K119-E131 WeakPolarHBondContact CB-OE2 3.23Å; K119-E131 PolarHBondContact N-OE2 3.1Å; K119-E131 PolarHBondContact O-N 3.35Å
120L96.9Very high93.3Very high30 Ų3041.3 Ų41.316%0.15720%0.203CC..EExtended strand (participates in β ladder)trans-90.5119.6173.9-178.665.7000109.8F108 T109 S112 P118 I123 R128F108-L120 HydrophobicContact CD1-CB 3.95Å; F108-L120 HydrophobicContact CD1-CD1 3.85Å; F108-L120 HydrophobicContact CD1-CD2 4.35Å; F108-L120 HydrophobicContact CD1-CG 4.26Å; F108-L120 HydrophobicContact CE1-CB 3.9Å; F108-L120 HydrophobicContact CE1-CD1 3.89Å; F108-L120 HydrophobicContact CE1-CG 4.44Å; T109-L120 HydrophobicContact CG2-CD2 4.37Å; T109-L120 WeakPolarHBondContact OG1-CD2 3.35Å; S112-L120 PolarHBondContact OG-N 3.46Å; P118-L120 PolarHBondContact O-N 2.94Å; L120-I123 HydrophobicContact CD1-CG1 4Å; L120-I123 HydrophobicContact CD2-CD1 3.64Å; L120-I123 HydrophobicContact CD2-CG1 3.84Å; L120-I123 HydrophobicContact CG-CG1 4.35Å; L120-R128 HydrophobicContact CD1-CB 4.08Å
121Y96.3Very high93.2Very high48 Ų4843.5 Ų43.519%0.18821%0.212CC..EExtended strand (participates in β ladder)trans-94.7-26.6176.5-66.7-54.1000113.5L43 P84 T87 K119 L129 E131L43-Y121 HydrophobicContact CD2-CD1 3.97Å; L43-Y121 HydrophobicContact CD2-CD2 3.99Å; L43-Y121 HydrophobicContact CD2-CG 3.58Å; P84-Y121 HydrophobicContact CB-CE2 4.12Å; P84-Y121 HydrophobicContact CG-CD2 4.23Å; P84-Y121 HydrophobicContact CG-CE1 4.02Å; P84-Y121 HydrophobicContact CG-CE2 3.65Å; T87-Y121 HydrophobicContact CG2-CD2 3.67Å; T87-Y121 HydrophobicContact CG2-CE2 3.7Å; K119-Y121 HydrophobicContact CD-CD1 4.43Å; K119-Y121 HydrophobicContact CD-CE1 3.72Å; K119-Y121 HydrophobicContact CG-CE1 4.15Å; Y121-L129 WeakPolarHBondContact CA-O 3.35Å; Y121-L129 PolarHBondContact N-O 3.14Å; Y121-E131 HydrophobicContact CE2-CB 4.14Å
122G93.8Very high93.1Very high8 Ų846.8 Ų46.88%0.08223%0.225CC..EExtended strand (participates in β ladder)trans-174.6151.917900000114R128 L129G122-R128 CarbonylContact O-C 3.54Å; G122-R128 VanDerWaalsContact O-CA 3.28Å; G122-R128 WeakPolarHBondContact O-CA 3.26Å; G122-R128 WeakPolarHBondContact O-CB 3.43Å; G122-L129 PolarHBondContact N-O 3.06Å; G122-L129 VanDerWaalsContact N-O 3.15Å; G122-L129 PolarHBondContact O-N 3.11Å
123I91.8Very high92.9Very high71 Ų7147.8 Ų47.836%0.36423%0.23SC..EExtended strand (participates in β ladder)trans-121135.8171.8-61.9167.3000108.1Y42 C105 L120Y42-I123 WeakPolarHBondContact CE1-O 3.44Å; Y42-I123 VanDerWaalsContact CZ-O 3.32Å; Y42-I123 PolarHBondContact OH-O 3.29Å; C105-I123 HydrophobicContact CB-CD1 4.18Å; L120-I123 HydrophobicContact CD1-CG1 4Å; L120-I123 HydrophobicContact CD2-CD1 3.64Å; L120-I123 HydrophobicContact CD2-CG1 3.84Å; L120-I123 HydrophobicContact CG-CG1 4.35Å
124F88.9Confident92.7Very high18 Ų1847.4 Ų47.48%0.07922%0.222CC..EExtended strand (participates in β ladder)trans-141.1167.5176.153.6-88.8000111F9 V38 Y42 L89 G126 G127F9-F124 HydrophobicContact CD2-CD2 4.5Å; F9-F124 AromaticContact CD2-CE2 3.73Å; F9-F124 HydrophobicContact CD2-CE2 3.73Å; F9-F124 HydrophobicContact CD2-CZ 4.4Å; F9-F124 AromaticContact CE2-CE2 3.96Å; F9-F124 HydrophobicContact CE2-CE2 3.96Å; F9-F124 HydrophobicContact CE2-CZ 4.22Å; V38-F124 HydrophobicContact CG1-CD1 3.76Å; V38-F124 HydrophobicContact CG1-CE1 3.49Å; V38-F124 VanDerWaalsContact CG1-CE1 3.49Å; V38-F124 HydrophobicContact CG1-CZ 4.16Å; V38-F124 HydrophobicContact CG2-CE1 4.5Å; Y42-F124 HydrophobicContact CE2-CB 4.01Å; Y42-F124 AromaticContact CE2-CD1 3.98Å; Y42-F124 HydrophobicContact CE2-CD1 3.98Å; Y42-F124 HydrophobicContact CE2-CG 4.37Å; Y42-F124 WeakPolarHBondContact OH-CB 3.34Å; L89-F124 HydrophobicContact CD1-CE1 3.72Å; L89-F124 HydrophobicContact CD1-CZ 3.42Å; L89-F124 VanDerWaalsContact CD1-CZ 3.42Å; F124-G126 PolarHBondContact O-N 2.99Å; F124-G127 VanDerWaalsContact CE2-CA 3.45Å; F124-G127 VanDerWaalsContact CZ-C 3.46Å; F124-G127 PolarHBondContact N-O 2.96Å; F124-G127 PolarHBondContact O-N 2.93Å; F124-G127 VanDerWaalsContact O-N 3.1Å
125S82.5Confident92.6Very high60 Ų6042.1 Ų42.142%0.4221%0.207SC..THydrogen-bonded Turntrans-58.5111.5175.2167.30000110.7S8S8-S125 PolarHBondContact OG-OG 2.92Å
126G81.8Confident92.5Very high12 Ų1238.2 Ų38.212%0.12419%0.185CC..THydrogen-bonded Turntrans91.910.8177.800000115.1I91 Y92 F124I91-G126 WeakPolarHBondContact CA-O 3.39Å; I91-G126 WeakPolarHBondContact CG2-O 3.36Å; Y92-G126 PolarHBondContact N-O 2.9Å; F124-G126 PolarHBondContact O-N 2.99Å
127G89.1Confident92.5Very high0 Ų040.3 Ų40.30%020%0.2CC..EExtended strand (participates in β ladder)trans178-176.6175.100000115.6R90 Y92 F124R90-G127 CarbonylContact O-C 3.56Å; R90-G127 WeakPolarHBondContact O-CA 3.19Å; Y92-G127 VanDerWaalsContact CD2-CA 3.49Å; Y92-G127 VanDerWaalsContact CE2-CA 3.44Å; F124-G127 VanDerWaalsContact CE2-CA 3.45Å; F124-G127 VanDerWaalsContact CZ-C 3.46Å; F124-G127 PolarHBondContact N-O 2.96Å; F124-G127 PolarHBondContact O-N 2.93Å; F124-G127 VanDerWaalsContact O-N 3.1Å
128R92.8Very high92.6Very high15 Ų1540 Ų406%0.05720%0.196CC..EExtended strand (participates in β ladder)trans-139.4157.9173.165.1179.3178.9-1189.5111.3R90 Y92 F108 L120 G122 E130R90-R128 HydrophobicContact CB-CG 4.02Å; R90-R128 VanDerWaalsContact CD-CZ 3.5Å; R90-R128 PolarHBondContact N-O 3.1Å; R90-R128 PolarHBondContact O-N 2.91Å; Y92-R128 WeakPolarHBondContact OH-CD 3.28Å; Y92-R128 VanDerWaalsContact OH-CG 3.29Å; Y92-R128 WeakPolarHBondContact OH-CG 3.3Å; Y92-R128 PolarHBondContact OH-NH1 3.32Å; F108-R128 VanDerWaalsContact CD2-CZ 3.48Å; L120-R128 HydrophobicContact CD1-CB 4.08Å; G122-R128 CarbonylContact O-C 3.54Å; G122-R128 VanDerWaalsContact O-CA 3.28Å; G122-R128 WeakPolarHBondContact O-CA 3.26Å; G122-R128 WeakPolarHBondContact O-CB 3.43Å; R128-E130 IonicContact CZ-OE2 2.97Å; R128-E130 IonicContact NE-OE2 3.95Å; R128-E130 PolarHBondContact NE-OE2 2.85Å; R128-E130 IonicContact NH2-OE2 3.02Å; R128-E130 PolarHBondContact NH2-OE2 2.96Å
129L95.3Very high92.6Very high0 Ų044.3 Ų44.30%022%0.218CC..EExtended strand (participates in β ladder)trans-111.8120.1171.4-167.468.6000107.6L43 L89 Y121 G122L43-L129 HydrophobicContact CD1-CD2 3.93Å; L43-L129 HydrophobicContact CD2-CD2 3.66Å; L43-L129 HydrophobicContact CG-CD2 3.64Å; L89-L129 HydrophobicContact CB-CD1 3.95Å; L89-L129 HydrophobicContact CD1-CD1 4.1Å; Y121-L129 WeakPolarHBondContact CA-O 3.35Å; Y121-L129 PolarHBondContact N-O 3.14Å; G122-L129 PolarHBondContact N-O 3.06Å; G122-L129 VanDerWaalsContact N-O 3.15Å; G122-L129 PolarHBondContact O-N 3.11Å
130E95.4Very high92.6Very high5 Ų540 Ų402%0.02320%0.2CC..EExtended strand (participates in β ladder)trans-124.6165.5-173.966.4-163.7-164.700111.4L88 R90 F108 K119 R128L88-E130 HydrophobicContact CB-CG 3.8Å; L88-E130 HydrophobicContact CD2-CG 4.31Å; L88-E130 WeakPolarHBondContact CD2-OE1 3.48Å; L88-E130 HydrophobicContact CG-CG 4.42Å; L88-E130 PolarHBondContact N-O 2.9Å; L88-E130 PolarHBondContact O-N 3.02Å; R90-E130 IonicContact CZ-OE1 3.66Å; R90-E130 IonicContact NE-OE1 3.97Å; R90-E130 PolarHBondContact NE-OE1 3.35Å; R90-E130 VanDerWaalsContact NE-OE1 3.1Å; R90-E130 IonicContact NE-OE2 3.79Å; R90-E130 PolarHBondContact NE-OE2 2.69Å; R90-E130 IonicContact NH2-OE1 3.64Å; R90-E130 PolarHBondContact NH2-OE1 2.62Å; F108-E130 HydrophobicContact CE1-CB 4.13Å; F108-E130 WeakPolarHBondContact CE2-OE2 3.4Å; F108-E130 HydrophobicContact CZ-CB 3.78Å; F108-E130 HydrophobicContact CZ-CG 4.45Å; F108-E130 VanDerWaalsContact CZ-OE2 3.27Å; F108-E130 WeakPolarHBondContact CZ-OE2 3.1Å; K119-E130 CarbonylContact O-C 3.45Å; K119-E130 WeakPolarHBondContact O-CA 3.37Å; R128-E130 IonicContact CZ-OE2 2.97Å; R128-E130 IonicContact NE-OE2 3.95Å; R128-E130 PolarHBondContact NE-OE2 2.85Å; R128-E130 IonicContact NH2-OE2 3.02Å; R128-E130 PolarHBondContact NH2-OE2 2.96Å
131E95.8Very high92.5Very high71 Ų7142.1 Ų42.133%0.33222%0.215SC..EExtended strand (participates in β ladder)trans-61.9132.3174.3-174.3179.2-168.300111.7P118 K119 Y121 I133P118-E131 HydrophobicContact CB-CB 4.07Å; K119-E131 HydrophobicContact CB-CB 3.92Å; K119-E131 WeakPolarHBondContact CB-OE2 3.23Å; K119-E131 PolarHBondContact N-OE2 3.1Å; K119-E131 PolarHBondContact O-N 3.35Å; Y121-E131 HydrophobicContact CE2-CB 4.14Å; E131-I133 HydrophobicContact CG-CG1 4.08Å; E131-I133 PolarHBondContact O-N 3.41Å
132Y94.2Very high92.4Very high72 Ų7241.4 Ų41.428%0.28221%0.213SC..  trans-87.5102.2165.4176.8-105.4000109.7L70 K86 L88 R134L70-Y132 HydrophobicContact CD1-CD1 3.89Å; L70-Y132 HydrophobicContact CD1-CD2 3.62Å; L70-Y132 HydrophobicContact CD1-CE1 4.26Å; L70-Y132 HydrophobicContact CD1-CE2 4.04Å; L70-Y132 HydrophobicContact CD1-CG 3.52Å; L70-Y132 HydrophobicContact CD2-CE2 4.39Å; K86-Y132 HydrophobicContact CB-CD1 3.84Å; K86-Y132 HydrophobicContact CB-CG 4.32Å; K86-Y132 HydrophobicContact CD-CD1 3.73Å; K86-Y132 HydrophobicContact CD-CE1 3.88Å; K86-Y132 HydrophobicContact CG-CD1 4.44Å; L88-Y132 HydrophobicContact CD1-CD2 4.5Å; Y132-R134 HydrophobicContact CD1-CG 4.3Å; Y132-R134 HydrophobicContact CE1-CG 3.89Å
133I92Very high92.6Very high28 Ų2841 Ų4114%0.14421%0.209CC..  trans-82.2118.6175.5-55.6175.9000108.8P118 E131 S135 P243 V254P118-I133 HydrophobicContact CB-CD1 4.11Å; P118-I133 HydrophobicContact CG-CD1 3.96Å; E131-I133 HydrophobicContact CG-CG1 4.08Å; E131-I133 PolarHBondContact O-N 3.41Å; I133-S135 PolarHBondContact O-N 2.86Å; I133-S135 PolarHBondContact O-OG 2.84Å; I133-P243 HydrophobicContact CG2-CG 4.38Å; I133-V254 HydrophobicContact CD1-CB 4.29Å; I133-V254 HydrophobicContact CD1-CG1 3.65Å; I133-V254 HydrophobicContact CD1-CG2 4.35Å
134R92.1Very high92.8Very high123 Ų12340.8 Ų40.846%0.46421%0.207SC..  trans-68.299.5174.2-63.6-177.8-168.5149.12.9109.5Y132 P243 E244Y132-R134 HydrophobicContact CD1-CG 4.3Å; Y132-R134 HydrophobicContact CE1-CG 3.89Å; R134-P243 WeakPolarHBondContact O-CA 3.29Å; R134-E244 HydrophobicContact CB-CG 4.46Å; R134-E244 PolarHBondContact O-N 3.43Å
135S93.2Very high93.1Very high28 Ų2844.5 Ų44.520%0.19622%0.224CC..EExtended strand (participates in β ladder)trans-161.8171.7-167.260.60000110.5I133 L241 L242I133-S135 PolarHBondContact O-N 2.86Å; I133-S135 PolarHBondContact O-OG 2.84Å; S135-L241 WeakPolarHBondContact OG-CD1 3.41Å; S135-L242 WeakPolarHBondContact CA-O 3.4Å; S135-L242 WeakPolarHBondContact CB-O 3.45Å
136R92.8Very high93.7Very high81 Ų8145.2 Ų45.231%0.30623%0.228SC..EExtended strand (participates in β ladder)trans-126.7155.5164.258.8169.4-178.480-5.7109.3E142 L241 L242R136-E142 IonicContact CZ-OE1 2.97Å; R136-E142 IonicContact CZ-OE2 3.41Å; R136-E142 IonicContact NH1-OE1 3.62Å; R136-E142 PolarHBondContact NH1-OE1 3.37Å; R136-E142 IonicContact NH1-OE2 2.6Å; R136-E142 PolarHBondContact NH1-OE2 3.3Å; R136-E142 IonicContact NH2-OE1 2.74Å; R136-E142 PolarHBondContact NH2-OE1 3.49Å; R136-E142 IonicContact NH2-OE2 3.25Å; R136-E142 PolarHBondContact NH2-OE2 3.19Å; R136-L241 WeakPolarHBondContact O-CA 3.21Å; R136-L242 PolarHBondContact N-O 2.96Å; R136-L242 PolarHBondContact O-N 3.1Å
137P93.8Very high94.4Very high62 Ų6248.4 Ų48.440%0.40324%0.242SC..EExtended strand (participates in β ladder)trans-60.6156.9164.128.2-34.3000110.6I240P137-I240 CarbonylContact C-O 3.53Å; P137-I240 WeakPolarHBondContact CA-O 3.48Å
138L95.5Very high94.7Very high4 Ų448.9 Ų48.92%0.02124%0.244CC..PPolyproline II helixtrans-68.8149.5168.4-69.3-177.3000110.4E142 L143 I148 I152 Q237 I240 L242L138-E142 WeakPolarHBondContact CA-OE2 3.46Å; L138-E142 HydrophobicContact CD2-CB 4.29Å; L138-L143 HydrophobicContact CD1-CD2 3.98Å; L138-I148 HydrophobicContact CD1-CG2 3.61Å; L138-I148 HydrophobicContact CD2-CD1 4.44Å; L138-I148 HydrophobicContact CD2-CG2 4.42Å; L138-I152 HydrophobicContact CD1-CD1 4.05Å; L138-Q237 HydrophobicContact CB-CB 4.29Å; L138-Q237 PolarHBondContact N-O 3.46Å; L138-Q237 WeakPolarHBondContact O-CB 3.16Å; L138-Q237 VanDerWaalsContact O-CG 3.31Å; L138-Q237 WeakPolarHBondContact O-CG 3.27Å; L138-I240 HydrophobicContact CD1-CB 3.89Å; L138-I240 HydrophobicContact CD1-CD1 4.35Å; L138-I240 HydrophobicContact CD1-CG2 3.47Å; L138-I240 VanDerWaalsContact CD1-CG2 3.47Å; L138-I240 HydrophobicContact CG-CB 4.18Å; L138-I240 HydrophobicContact CG-CG2 3.97Å; L138-I240 PolarHBondContact N-O 3.16Å; L138-L242 HydrophobicContact CD2-CB 3.83Å; L138-L242 HydrophobicContact CD2-CD2 4.25Å
139L94.7Very high94.9Very high100 Ų10048.2 Ų48.252%0.52424%0.242SC..PPolyproline II helixtrans-85.1152.8167.8-53.2177.5000109.2E142L139-E142 HydrophobicContact CB-CG 4.12Å; L139-E142 PolarHBondContact N-OE2 2.96Å; L139-E142 VanDerWaalsContact O-CB 3.3Å; L139-E142 WeakPolarHBondContact O-CB 3.42Å; L139-E142 PolarHBondContact O-N 3.27Å
140S95.1Very high95Very high4 Ų450.5 Ų50.53%0.02825%0.251CS..Hα-helixtrans-54.1-45.8-178.9179.60000113.2E142 L143 F279S140-E142 PolarHBondContact O-N 2.79Å; S140-E142 VanDerWaalsContact O-N 3.1Å; S140-L143 WeakPolarHBondContact O-CB 3.21Å; S140-L143 PolarHBondContact O-N 3.49Å; S140-L143 VanDerWaalsContact O-N 3.16Å; S140-F279 WeakPolarHBondContact CB-O 3.39Å; S140-F279 PolarHBondContact OG-O 3.09Å
141P94.8Very high95.1Very high74 Ų7454.6 Ų54.648%0.48127%0.266SS..Hα-helixtrans-64.5-18.4177.3-22.534.6000114.8L143 Q144P141-L143 VanDerWaalsContact C-N 3.31Å; P141-Q144 PolarHBondContact O-N 3.48Å
142E95.7Very high95.2Very high33 Ų3351.2 Ų51.215%0.15425%0.251CS..Hα-helixtrans-73.9-23.7178.9-67.9-176.5117.500112.4R136 L138 L139 S140 Q144 Q145 I148R136-E142 IonicContact CZ-OE1 2.97Å; R136-E142 IonicContact CZ-OE2 3.41Å; R136-E142 IonicContact NH1-OE1 3.62Å; R136-E142 PolarHBondContact NH1-OE1 3.37Å; R136-E142 IonicContact NH1-OE2 2.6Å; R136-E142 PolarHBondContact NH1-OE2 3.3Å; R136-E142 IonicContact NH2-OE1 2.74Å; R136-E142 PolarHBondContact NH2-OE1 3.49Å; R136-E142 IonicContact NH2-OE2 3.25Å; R136-E142 PolarHBondContact NH2-OE2 3.19Å; L138-E142 WeakPolarHBondContact CA-OE2 3.46Å; L138-E142 HydrophobicContact CD2-CB 4.29Å; L139-E142 HydrophobicContact CB-CG 4.12Å; L139-E142 PolarHBondContact N-OE2 2.96Å; L139-E142 VanDerWaalsContact O-CB 3.3Å; L139-E142 WeakPolarHBondContact O-CB 3.42Å; L139-E142 PolarHBondContact O-N 3.27Å; S140-E142 PolarHBondContact O-N 2.79Å; S140-E142 VanDerWaalsContact O-N 3.1Å; E142-Q144 PolarHBondContact O-N 3.31Å; E142-Q145 WeakPolarHBondContact O-CB 3.43Å; E142-Q145 PolarHBondContact O-N 3.43Å; E142-Q145 VanDerWaalsContact O-N 3.1Å; E142-I148 HydrophobicContact CB-CD1 3.83Å; E142-I148 HydrophobicContact CG-CD1 4.37Å
143L97.3Very high95.4Very high0 Ų047.8 Ų47.80%024%0.237CC..Hα-helixtrans-60.5-32.7175.2-61.2-172.3000111.8L138 S140 P141 Q145 I152 Q237 I240 W277L138-L143 HydrophobicContact CD1-CD2 3.98Å; S140-L143 WeakPolarHBondContact O-CB 3.21Å; S140-L143 PolarHBondContact O-N 3.49Å; S140-L143 VanDerWaalsContact O-N 3.16Å; P141-L143 VanDerWaalsContact C-N 3.31Å; L143-Q145 VanDerWaalsContact C-N 3.28Å; L143-Q145 PolarHBondContact O-N 3.1Å; L143-I152 HydrophobicContact CD2-CD1 3.94Å; L143-Q237 HydrophobicContact CD1-CB 4.04Å; L143-Q237 HydrophobicContact CD2-CB 4.18Å; L143-Q237 HydrophobicContact CG-CB 4.15Å; L143-I240 HydrophobicContact CD2-CD1 4.07Å; L143-W277 HydrophobicContact CB-CD2 4.27Å; L143-W277 HydrophobicContact CB-CG 4.12Å; L143-W277 HydrophobicContact CD1-CG 4.46Å; L143-W277 WeakPolarHBondContact O-CH2 3.41Å; L143-W277 WeakPolarHBondContact O-CZ2 3.48Å
144Q95.5Very high95.7Very high66 Ų6647 Ų4731%0.30823%0.233SC..THydrogen-bonded Turntrans-76.8-12.3179.9-60.6178.952.200113.4P141 E142 P146 W277 H295P141-Q144 PolarHBondContact O-N 3.48Å; E142-Q144 PolarHBondContact O-N 3.31Å; Q144-P146 WeakPolarHBondContact O-CD 3.46Å; Q144-W277 HydrophobicContact CB-CE3 4.34Å; Q144-W277 HydrophobicContact CB-CZ3 4.17Å; Q144-W277 HydrophobicContact CG-CD2 4.39Å; Q144-W277 HydrophobicContact CG-CE3 3.67Å; Q144-W277 HydrophobicContact CG-CZ3 3.99Å; Q144-H295 PolarHBondContact NE2-CD2 3.01Å; Q144-H295 VanDerWaalsContact NE2-CD2 3.3Å; Q144-H295 PolarHBondContact NE2-ND1 3.3Å
145Q95.8Very high96Very high96 Ų9641.5 Ų41.545%0.44921%0.212SC..SBendtrans-69.8123.4-178.5-64.8-63.2-39.700110.2E142 L143 N147 I148 S149E142-Q145 WeakPolarHBondContact O-CB 3.43Å; E142-Q145 PolarHBondContact O-N 3.43Å; E142-Q145 VanDerWaalsContact O-N 3.1Å; L143-Q145 VanDerWaalsContact C-N 3.28Å; L143-Q145 PolarHBondContact O-N 3.1Å; Q145-N147 VanDerWaalsContact C-N 3.27Å; Q145-N147 PolarHBondContact O-N 3.44Å; Q145-N147 VanDerWaalsContact O-N 3.12Å; Q145-I148 HydrophobicContact CB-CB 4.14Å; Q145-I148 HydrophobicContact CB-CD1 3.99Å; Q145-I148 HydrophobicContact CB-CG1 3.96Å; Q145-I148 HydrophobicContact CG-CD1 4.3Å; Q145-I148 PolarHBondContact O-N 3.01Å; Q145-S149 WeakPolarHBondContact O-CB 3.47Å; Q145-S149 PolarHBondContact O-N 3.3Å
146P96Very high96.2Very high75 Ų7540.2 Ų40.249%0.48720%0.203SC..Hα-helixtrans-52.4-40.8-173-32.937.7000114.6Q144 Y150 L304Q144-P146 WeakPolarHBondContact O-CD 3.46Å; P146-Y150 VanDerWaalsContact O-CB 3.24Å; P146-Y150 WeakPolarHBondContact O-CB 3.46Å; P146-Y150 PolarHBondContact O-N 3.41Å; P146-L304 HydrophobicContact CB-CD2 3.6Å
147N94.5Very high96.5Very high79 Ų7936.3 Ų36.342%0.42219%0.189SC..Hα-helixtrans-69.9-41.8179.162.1-42.5000112.5Q145 R151Q145-N147 VanDerWaalsContact C-N 3.27Å; Q145-N147 PolarHBondContact O-N 3.44Å; Q145-N147 VanDerWaalsContact O-N 3.12Å; N147-R151 VanDerWaalsContact O-CG 3.3Å; N147-R151 WeakPolarHBondContact O-CG 3.29Å; N147-R151 PolarHBondContact O-N 2.96Å; N147-R151 VanDerWaalsContact O-N 3.11Å
148I96.1Very high96.8Very high10 Ų1037.3 Ų37.35%0.05118%0.184CC..Hα-helixtrans-68.2-50.6179.8-59.5-175000109.4L138 E142 Q145 Y150 R151 I152 C250L138-I148 HydrophobicContact CD1-CG2 3.61Å; L138-I148 HydrophobicContact CD2-CD1 4.44Å; L138-I148 HydrophobicContact CD2-CG2 4.42Å; E142-I148 HydrophobicContact CB-CD1 3.83Å; E142-I148 HydrophobicContact CG-CD1 4.37Å; Q145-I148 HydrophobicContact CB-CB 4.14Å; Q145-I148 HydrophobicContact CB-CD1 3.99Å; Q145-I148 HydrophobicContact CB-CG1 3.96Å; Q145-I148 HydrophobicContact CG-CD1 4.3Å; Q145-I148 PolarHBondContact O-N 3.01Å; I148-Y150 VanDerWaalsContact C-N 3.27Å; I148-Y150 PolarHBondContact O-N 2.77Å; I148-R151 WeakPolarHBondContact O-CB 3.4Å; I148-R151 PolarHBondContact O-N 3.22Å; I148-I152 HydrophobicContact CG2-CD1 3.77Å; I148-I152 HydrophobicContact CG2-CG1 4.31Å; I148-I152 WeakPolarHBondContact O-CG1 3.46Å; I148-I152 PolarHBondContact O-N 3.41Å; I148-C250 HydrophobicContact CG1-CB 4.2Å
149S97.8Very high96.9Very high2 Ų237.1 Ų37.11%0.01418%0.183CC..Hα-helixtrans-50.9-46.7174.4176.30000111.8Q145 R151 I152 A153 W277 F305Q145-S149 WeakPolarHBondContact O-CB 3.47Å; Q145-S149 PolarHBondContact O-N 3.3Å; S149-R151 PolarHBondContact O-N 3.38Å; S149-I152 PolarHBondContact O-N 3.32Å; S149-A153 PolarHBondContact O-N 2.9Å; S149-W277 WeakPolarHBondContact OG-CZ2 3.41Å; S149-F305 WeakPolarHBondContact O-CD2 3.48Å
150Y97.1Very high97.1Very high47 Ų4732.8 Ų32.818%0.18416%0.16CC..Hα-helixtrans-61.1-41176.5-163.8-89.8000113P146 I148 A153 Q154 L304 S307 G308 K311P146-Y150 VanDerWaalsContact O-CB 3.24Å; P146-Y150 WeakPolarHBondContact O-CB 3.46Å; P146-Y150 PolarHBondContact O-N 3.41Å; I148-Y150 VanDerWaalsContact C-N 3.27Å; I148-Y150 PolarHBondContact O-N 2.77Å; Y150-A153 WeakPolarHBondContact O-CB 3.38Å; Y150-A153 PolarHBondContact O-N 2.99Å; Y150-Q154 HydrophobicContact CD1-CG 4.25Å; Y150-Q154 HydrophobicContact CE1-CG 4.2Å; Y150-Q154 WeakPolarHBondContact O-CG 3.32Å; Y150-Q154 PolarHBondContact O-N 3.12Å; Y150-Q154 VanDerWaalsContact O-N 3.11Å; Y150-L304 HydrophobicContact CD2-CD1 3.84Å; Y150-L304 HydrophobicContact CD2-CG 4.3Å; Y150-L304 HydrophobicContact CE2-CD1 4.29Å; Y150-S307 WeakPolarHBondContact CE2-OG 3.28Å; Y150-G308 VanDerWaalsContact CZ-CA 3.43Å; Y150-K311 HydrophobicContact CE1-CD 4.33Å; Y150-K311 WeakPolarHBondContact OH-CD 3.18Å
151R96.7Very high97.2Very high91 Ų9139.9 Ų39.934%0.34319%0.187SC..Hα-helixtrans-69.5-39.7178-69.8-63.6-175.1-1614.3112.7N147 I148 S149 A153 Q154 K155 C250 K251N147-R151 VanDerWaalsContact O-CG 3.3Å; N147-R151 WeakPolarHBondContact O-CG 3.29Å; N147-R151 PolarHBondContact O-N 2.96Å; N147-R151 VanDerWaalsContact O-N 3.11Å; I148-R151 WeakPolarHBondContact O-CB 3.4Å; I148-R151 PolarHBondContact O-N 3.22Å; S149-R151 PolarHBondContact O-N 3.38Å; R151-A153 VanDerWaalsContact C-N 3.3Å; R151-A153 PolarHBondContact O-N 3.45Å; R151-Q154 PolarHBondContact O-N 3.44Å; R151-K155 PolarHBondContact O-N 3.39Å; R151-C250 PolarHBondContact NE-O 2.75Å; R151-K251 PolarHBondContact NE-O 3.25Å
152I98.4Very high97.3Very high0 Ų037 Ų370%017%0.167CC..Hα-helixtrans-59-46.8173.5-66167.2000109.2L138 L143 I148 S149 Q154 K155 M156 L235 I240 V253 F255 F305L138-I152 HydrophobicContact CD1-CD1 4.05Å; L143-I152 HydrophobicContact CD2-CD1 3.94Å; I148-I152 HydrophobicContact CG2-CD1 3.77Å; I148-I152 HydrophobicContact CG2-CG1 4.31Å; I148-I152 WeakPolarHBondContact O-CG1 3.46Å; I148-I152 PolarHBondContact O-N 3.41Å; S149-I152 PolarHBondContact O-N 3.32Å; I152-Q154 VanDerWaalsContact C-N 3.32Å; I152-Q154 PolarHBondContact O-N 3.12Å; I152-K155 PolarHBondContact O-N 3.42Å; I152-K155 VanDerWaalsContact O-N 3.14Å; I152-M156 WeakPolarHBondContact O-CB 2.92Å; I152-M156 PolarHBondContact O-N 3.47Å; I152-L235 HydrophobicContact CG2-CD2 3.93Å; I152-I240 HydrophobicContact CD1-CD1 3.72Å; I152-I240 HydrophobicContact CG1-CD1 4.12Å; I152-I240 HydrophobicContact CG1-CG2 4.44Å; I152-I240 HydrophobicContact CG2-CD1 4.33Å; I152-V253 HydrophobicContact CG1-CG2 4.29Å; I152-F255 HydrophobicContact CB-CZ 4.48Å; I152-F255 HydrophobicContact CG1-CE1 4.49Å; I152-F255 HydrophobicContact CG2-CE1 4.13Å; I152-F255 HydrophobicContact CG2-CZ 3.8Å; I152-F305 HydrophobicContact CB-CE2 4.26Å; I152-F305 HydrophobicContact CG2-CE2 3.93Å; I152-F305 HydrophobicContact CG2-CZ 4.37Å
153A98.7Very high97.4Very high0 Ų039.9 Ų39.90%019%0.191CC..Hα-helixtrans-58-43.5177.500000112.8S149 Y150 R151 A157 F305 Y309S149-A153 PolarHBondContact O-N 2.9Å; Y150-A153 WeakPolarHBondContact O-CB 3.38Å; Y150-A153 PolarHBondContact O-N 2.99Å; R151-A153 VanDerWaalsContact C-N 3.3Å; R151-A153 PolarHBondContact O-N 3.45Å; A153-A157 WeakPolarHBondContact O-CB 3.25Å; A153-A157 PolarHBondContact O-N 3.11Å; A153-F305 HydrophobicContact CB-CB 4.49Å; A153-F305 HydrophobicContact CB-CD1 3.72Å; A153-F305 HydrophobicContact CB-CD2 3.67Å; A153-F305 HydrophobicContact CB-CE1 3.73Å; A153-F305 HydrophobicContact CB-CE2 3.69Å; A153-F305 HydrophobicContact CB-CG 3.69Å; A153-F305 HydrophobicContact CB-CZ 3.73Å; A153-F305 WeakPolarHBondContact CB-O 3.46Å; A153-Y309 WeakPolarHBondContact O-CD2 3.26Å
154Q98.2Very high97.3Very high13 Ų1339.9 Ų39.96%0.06119%0.191CC..Hα-helixtrans-63.5-47174.6-66.9-171.7-63.600111.6Y150 R151 I152 M156 A157 R158 G308 E312Y150-Q154 HydrophobicContact CD1-CG 4.25Å; Y150-Q154 HydrophobicContact CE1-CG 4.2Å; Y150-Q154 WeakPolarHBondContact O-CG 3.32Å; Y150-Q154 PolarHBondContact O-N 3.12Å; Y150-Q154 VanDerWaalsContact O-N 3.11Å; R151-Q154 PolarHBondContact O-N 3.44Å; I152-Q154 VanDerWaalsContact C-N 3.32Å; I152-Q154 PolarHBondContact O-N 3.12Å; Q154-M156 PolarHBondContact O-N 3.4Å; Q154-A157 PolarHBondContact O-N 3.35Å; Q154-R158 PolarHBondContact O-N 2.89Å; Q154-R158 VanDerWaalsContact O-N 3.14Å; Q154-G308 WeakPolarHBondContact CG-O 3.49Å; Q154-E312 HydrophobicContact CB-CB 4.09Å; Q154-E312 HydrophobicContact CB-CG 4.29Å; Q154-E312 HydrophobicContact CG-CB 4.12Å; Q154-E312 PolarHBondContact NE2-OE2 3.17Å; Q154-E312 WeakPolarHBondContact O-CG 3.3Å
155K97.9Very high97.3Very high6 Ų641.5 Ų41.53%0.02621%0.207CC..Hα-helixtrans-62-44.9179.4-172.66854.5143.70111.2L116 R151 I152 A157 R158 I159 D252 V253 F255L116-K155 HydrophobicContact CD2-CD 4.19Å; R151-K155 PolarHBondContact O-N 3.39Å; I152-K155 PolarHBondContact O-N 3.42Å; I152-K155 VanDerWaalsContact O-N 3.14Å; K155-A157 VanDerWaalsContact C-N 3.35Å; K155-A157 PolarHBondContact O-N 3.28Å; K155-R158 WeakPolarHBondContact O-CB 3.3Å; K155-R158 PolarHBondContact O-N 3.26Å; K155-I159 WeakPolarHBondContact O-CG1 3.3Å; K155-I159 PolarHBondContact O-N 3.3Å; K155-I159 VanDerWaalsContact O-N 3.1Å; K155-D252 WeakPolarHBondContact CE-OD1 3.3Å; K155-D252 VanDerWaalsContact NZ-CG 3.29Å; K155-D252 IonicContact NZ-OD1 2.85Å; K155-D252 PolarHBondContact NZ-OD1 3.08Å; K155-D252 IonicContact NZ-OD2 3.49Å; K155-D252 PolarHBondContact NZ-OD2 2.99Å; K155-V253 HydrophobicContact CB-CG2 4.14Å; K155-V253 WeakPolarHBondContact CE-O 3.49Å; K155-V253 HydrophobicContact CG-CG2 4.43Å; K155-V253 PolarHBondContact NZ-O 3.1Å; K155-F255 HydrophobicContact CB-CE1 4.01Å; K155-F255 HydrophobicContact CB-CE2 4Å; K155-F255 HydrophobicContact CB-CZ 3.62Å; K155-F255 HydrophobicContact CG-CD1 4.04Å; K155-F255 HydrophobicContact CG-CD2 3.9Å; K155-F255 HydrophobicContact CG-CE1 3.85Å; K155-F255 HydrophobicContact CG-CE2 3.72Å; K155-F255 HydrophobicContact CG-CG 4.05Å; K155-F255 HydrophobicContact CG-CZ 3.68Å
156M98.8Very high97.2Very high1 Ų138.4 Ų38.41%0.00520%0.195CC..Hα-helixtrans-57.9-44.9175.4-175.7-175.6-78.900111.7I152 Q154 R158 I159 H160 L235 F255 I270 H273 F305 Y309I152-M156 WeakPolarHBondContact O-CB 2.92Å; I152-M156 PolarHBondContact O-N 3.47Å; Q154-M156 PolarHBondContact O-N 3.4Å; M156-R158 VanDerWaalsContact C-N 3.27Å; M156-R158 PolarHBondContact O-N 3.06Å; M156-I159 PolarHBondContact O-N 3.14Å; M156-I159 VanDerWaalsContact O-N 3.11Å; M156-H160 VanDerWaalsContact CG-CE1 3.46Å; M156-H160 WeakPolarHBondContact CG-CE1 3.4Å; M156-H160 WeakPolarHBondContact CG-NE2 3.44Å; M156-H160 WeakPolarHBondContact O-CB 3.48Å; M156-H160 PolarHBondContact O-CD2 3.42Å; M156-H160 PolarHBondContact O-N 3.28Å; M156-L235 HydrophobicContact CE-CD2 3.52Å; M156-F255 HydrophobicContact CB-CE2 4.14Å; M156-F255 HydrophobicContact CB-CZ 4.44Å; M156-I270 HydrophobicContact SD-CB 4.5Å; M156-I270 HydrophobicContact SD-CG1 3.58Å; M156-I270 VanDerWaalsContact SD-CG1 3.58Å; M156-H273 HydrophobicContact CE-CB 3.94Å; M156-F305 HydrophobicContact CE-CZ 4.12Å; M156-F305 HydrophobicContact SD-CE1 4.16Å; M156-F305 HydrophobicContact SD-CZ 3.96Å; M156-Y309 HydrophobicContact CG-CE2 4.23Å
157A98.8Very high97.1Very high0 Ų038.4 Ų38.40%020%0.196CC..Hα-helixtrans-59-35.4175.100000113.1A153 Q154 K155 R161 Y309 E312 L313A153-A157 WeakPolarHBondContact O-CB 3.25Å; A153-A157 PolarHBondContact O-N 3.11Å; Q154-A157 PolarHBondContact O-N 3.35Å; K155-A157 VanDerWaalsContact C-N 3.35Å; K155-A157 PolarHBondContact O-N 3.28Å; A157-R161 WeakPolarHBondContact O-CG 3.36Å; A157-R161 PolarHBondContact O-N 3.49Å; A157-Y309 VanDerWaalsContact CA-CE2 3.47Å; A157-Y309 HydrophobicContact CB-CD1 4.36Å; A157-Y309 HydrophobicContact CB-CD2 3.65Å; A157-Y309 HydrophobicContact CB-CE1 4.4Å; A157-Y309 HydrophobicContact CB-CE2 3.68Å; A157-Y309 HydrophobicContact CB-CG 3.98Å; A157-E312 HydrophobicContact CB-CB 3.84Å; A157-E312 HydrophobicContact CB-CG 3.95Å; A157-L313 HydrophobicContact CB-CD2 3.91Å; A157-L313 HydrophobicContact CB-CG 4.14Å
158R98.4Very high97.2Very high82 Ų8238.8 Ų38.831%0.30919%0.194SC..Hα-helixtrans-67-42.8174.2-64.9175.9-175.9154.115.4111.9L116 Q154 K155 M156 R161 E312L116-R158 HydrophobicContact CD2-CB 3.89Å; Q154-R158 PolarHBondContact O-N 2.89Å; Q154-R158 VanDerWaalsContact O-N 3.14Å; K155-R158 WeakPolarHBondContact O-CB 3.3Å; K155-R158 PolarHBondContact O-N 3.26Å; M156-R158 VanDerWaalsContact C-N 3.27Å; M156-R158 PolarHBondContact O-N 3.06Å; R158-R161 PolarHBondContact O-N 3.01Å; R158-E312 HydrophobicContact CG-CG 3.81Å; R158-E312 WeakPolarHBondContact CG-OE1 3.44Å; R158-E312 IonicContact CZ-OE1 3.36Å; R158-E312 IonicContact CZ-OE2 2.62Å; R158-E312 IonicContact NE-OE1 3.18Å; R158-E312 PolarHBondContact NE-OE1 3.25Å; R158-E312 IonicContact NE-OE2 3.45Å; R158-E312 IonicContact NH2-OE1 2.64Å; R158-E312 PolarHBondContact NH2-OE1 2.8Å; R158-E312 IonicContact NH2-OE2 3.99Å; R158-E312 PolarHBondContact NH2-OE2 3.41Å
159I98.5Very high97.1Very high1 Ų143.3 Ų43.31%0.00522%0.218CC..Hα-helixtrans-62.5-47.2176.1-58.7-54.2000110.5L111 L116 K155 M156 R161 L162 F230 F255 Y258L111-I159 HydrophobicContact CD2-CD1 3.92Å; L116-I159 HydrophobicContact CB-CD1 3.77Å; L116-I159 HydrophobicContact CD1-CD1 4.07Å; L116-I159 HydrophobicContact CD2-CD1 4.24Å; L116-I159 HydrophobicContact CG-CD1 4.23Å; K155-I159 WeakPolarHBondContact O-CG1 3.3Å; K155-I159 PolarHBondContact O-N 3.3Å; K155-I159 VanDerWaalsContact O-N 3.1Å; M156-I159 PolarHBondContact O-N 3.14Å; M156-I159 VanDerWaalsContact O-N 3.11Å; I159-R161 PolarHBondContact O-N 3.46Å; I159-R161 VanDerWaalsContact O-N 3.1Å; I159-L162 HydrophobicContact CD1-CD1 4.22Å; I159-L162 HydrophobicContact CG2-CD1 4.44Å; I159-L162 VanDerWaalsContact O-CB 3.23Å; I159-L162 WeakPolarHBondContact O-CB 3.48Å; I159-L162 VanDerWaalsContact O-CG 3.29Å; I159-L162 WeakPolarHBondContact O-CG 3.45Å; I159-L162 PolarHBondContact O-N 2.82Å; I159-F230 HydrophobicContact CG2-CD1 3.84Å; I159-F230 HydrophobicContact CG2-CE1 4.18Å; I159-F255 HydrophobicContact CG1-CD2 4.18Å; I159-Y258 HydrophobicContact CD1-CE1 4.29Å; I159-Y258 WeakPolarHBondContact CD1-OH 3.33Å; I159-Y258 HydrophobicContact CG2-CE1 4.31Å
160H98.7Very high97Very high9 Ų944.8 Ų44.84%0.04223%0.228CC..Hα-helixtrans-61.9-21179.4-70.5-173.5000113.7M156 L162 V229 F230 D269 Y309M156-H160 VanDerWaalsContact CG-CE1 3.46Å; M156-H160 WeakPolarHBondContact CG-CE1 3.4Å; M156-H160 WeakPolarHBondContact CG-NE2 3.44Å; M156-H160 WeakPolarHBondContact O-CB 3.48Å; M156-H160 PolarHBondContact O-CD2 3.42Å; M156-H160 PolarHBondContact O-N 3.28Å; H160-L162 VanDerWaalsContact C-N 3.34Å; H160-V229 HydrophobicContact CB-CB 4.02Å; H160-V229 HydrophobicContact CB-CG1 4.43Å; H160-V229 HydrophobicContact CB-CG2 3.82Å; H160-F230 WeakPolarHBondContact CA-O 3.09Å; H160-F230 PolarHBondContact CD2-O 3.28Å; H160-D269 IonicContact CD2-OD2 2.79Å; H160-D269 IonicContact CE1-OD2 3.92Å; H160-D269 IonicContact NE2-OD2 2.63Å; H160-D269 PolarHBondContact NE2-OD2 3.22Å; H160-Y309 WeakPolarHBondContact CB-OH 3.46Å; H160-Y309 AromaticContact ND1-CE2 3.47Å; H160-Y309 WeakPolarHBondContact ND1-CE2 3.5Å; H160-Y309 AromaticContact ND1-CZ 3.55Å; H160-Y309 PolarHBondContact ND1-OH 3.03Å
161R97.9Very high96.9Very high153 Ų15345.4 Ų45.458%0.57724%0.237SC*.THydrogen-bonded Turntrans-82.2-7.9174.2-7517871.6166.64.2114A157 R158 I159 L313A157-R161 WeakPolarHBondContact O-CG 3.36Å; A157-R161 PolarHBondContact O-N 3.49Å; R158-R161 PolarHBondContact O-N 3.01Å; I159-R161 PolarHBondContact O-N 3.46Å; I159-R161 VanDerWaalsContact O-N 3.1Å; R161-L313 VanDerWaalsContact CD-CD2 3.44Å; R161-L313 HydrophobicContact CG-CD2 3.61Å
162L97.5Very high96.8Very high14 Ų1442.6 Ų42.67%0.07323%0.226CC..  trans-68.6138.3-177.8-66.1175.3000111.3L110 L111 R114 L116 I159 H160 V164 F230 Y263L110-L162 HydrophobicContact CD2-CD1 4.13Å; L110-L162 HydrophobicContact CD2-CD2 4.15Å; L111-L162 HydrophobicContact CD2-CD1 3.68Å; R114-L162 HydrophobicContact CG-CD2 4.36Å; L116-L162 HydrophobicContact CD1-CD1 3.88Å; L116-L162 HydrophobicContact CD1-CD2 3.71Å; L116-L162 HydrophobicContact CD1-CG 4.09Å; I159-L162 HydrophobicContact CD1-CD1 4.22Å; I159-L162 HydrophobicContact CG2-CD1 4.44Å; I159-L162 VanDerWaalsContact O-CB 3.23Å; I159-L162 WeakPolarHBondContact O-CB 3.48Å; I159-L162 VanDerWaalsContact O-CG 3.29Å; I159-L162 WeakPolarHBondContact O-CG 3.45Å; I159-L162 PolarHBondContact O-N 2.82Å; H160-L162 VanDerWaalsContact C-N 3.34Å; L162-V164 HydrophobicContact CB-CG2 3.8Å; L162-F230 HydrophobicContact CB-CD1 4.42Å; L162-F230 HydrophobicContact CD1-CD1 4.33Å; L162-Y263 PolarHBondContact O-OH 3.43Å
163S96.2Very high96.7Very high92 Ų9242.7 Ų42.764%0.64323%0.227SC*.  trans-98.6100.9163.4-173.10000108.1Y263S163-Y263 WeakPolarHBondContact CA-OH 3.5Å
164V96.5Very high96.7Very high1 Ų143.5 Ų43.51%0.00623%0.232CC..  trans-105.2133-176.3-177.50000108.9I107 L110 L162 V166 K168 F230 Y263I107-V164 HydrophobicContact CG1-CG1 3.93Å; L110-V164 HydrophobicContact CD1-CB 4.39Å; L110-V164 HydrophobicContact CD1-CG1 4.33Å; L110-V164 HydrophobicContact CD1-CG2 4.2Å; L110-V164 HydrophobicContact CD2-CG2 4.22Å; L162-V164 HydrophobicContact CB-CG2 3.8Å; V164-V166 HydrophobicContact CB-CG2 4.4Å; V164-V166 HydrophobicContact CG1-CG1 4.08Å; V164-V166 HydrophobicContact CG1-CG2 4.09Å; V164-V166 PolarHBondContact O-N 3.1Å; V164-K168 PolarHBondContact O-NZ 2.8Å; V164-F230 HydrophobicContact CB-CD2 3.96Å; V164-F230 HydrophobicContact CB-CE2 4.14Å; V164-F230 HydrophobicContact CB-CG 4.26Å; V164-F230 HydrophobicContact CG1-CD2 4.38Å; V164-F230 HydrophobicContact CG1-CE2 4.06Å; V164-F230 HydrophobicContact CG1-CZ 4.4Å; V164-F230 HydrophobicContact CG2-CB 4.27Å; V164-F230 HydrophobicContact CG2-CD1 3.72Å; V164-F230 HydrophobicContact CG2-CD2 3.8Å; V164-F230 HydrophobicContact CG2-CE1 3.95Å; V164-F230 HydrophobicContact CG2-CE2 4.03Å; V164-F230 HydrophobicContact CG2-CG 3.64Å; V164-F230 HydrophobicContact CG2-CZ 4.09Å; V164-Y263 HydrophobicContact CB-CE2 4.21Å; V164-Y263 PolarHBondContact N-OH 3.49Å
165P95.1Very high96.6Very high100 Ų10047.5 Ų47.565%0.64925%0.251SS*.SBendtrans-80.958.2-172.934.4-37.1000113.4V106V106-P165 HydrophobicContact CG1-CG 3.74Å
166V93.8Very high96.5Very high31 Ų3147.3 Ų47.319%0.18825%0.25CC..SBendtrans-120.8178.7173.7-60.40000110.1T103 I107 V164 K168 F230 Y263T103-V166 HydrophobicContact CG2-CG1 3.7Å; I107-V166 HydrophobicContact CD1-CG1 4.46Å; I107-V166 HydrophobicContact CG1-CG1 4.35Å; V164-V166 HydrophobicContact CB-CG2 4.4Å; V164-V166 HydrophobicContact CG1-CG1 4.08Å; V164-V166 HydrophobicContact CG1-CG2 4.09Å; V164-V166 PolarHBondContact O-N 3.1Å; V166-K168 PolarHBondContact O-N 3.14Å; V166-K168 PolarHBondContact O-NZ 2.84Å; V166-F230 HydrophobicContact CG2-CE2 4.49Å; V166-Y263 HydrophobicContact CG2-CD2 3.82Å; V166-Y263 HydrophobicContact CG2-CE2 3.98Å
167S93.6Very high96.5Very high75 Ų7547.2 Ų47.252%0.52425%0.25SC..  trans-52.9138.3175.2-174.20000111D169 Y263S167-D169 PolarHBondContact OG-N 2.9Å; S167-Y263 WeakPolarHBondContact O-CB 3.33Å; S167-Y263 WeakPolarHBondContact O-CD2 3.5Å
168K96.2Very high96.5Very high87 Ų8752 Ų5238%0.37827%0.272SS..  trans-95.2-8.9178.1-63.2-73162.1-73.70112.3V164 V166 Y263V164-K168 PolarHBondContact O-NZ 2.8Å; V166-K168 PolarHBondContact O-N 3.14Å; V166-K168 PolarHBondContact O-NZ 2.84Å; K168-Y263 HydrophobicContact CD-CD1 3.75Å; K168-Y263 HydrophobicContact CD-CD2 3.87Å; K168-Y263 HydrophobicContact CD-CE1 3.51Å; K168-Y263 HydrophobicContact CD-CE2 3.65Å; K168-Y263 HydrophobicContact CD-CG 3.93Å; K168-Y263 VanDerWaalsContact CD-CZ 3.45Å; K168-Y263 VanDerWaalsContact CE-CE2 3.42Å; K168-Y263 WeakPolarHBondContact CE-OH 3.43Å
169D95.4Very high96.3Very high104 Ų10453.1 Ų53.156%0.55628%0.276SS*.  trans-73.1130.1-175.4-59.9-34.7000109.8S167 T171S167-D169 PolarHBondContact OG-N 2.9Å; D169-T171 HydrophobicContact CB-CG2 4.15Å; D169-T171 PolarHBondContact O-N 3.44Å
170P95Very high96.3Very high34 Ų3454 Ų5422%0.22128%0.279CS..THydrogen-bonded Turntrans-80.740.9-178.336.9-39.8000112.2V228 Y265P170-V228 HydrophobicContact CB-CB 4.47Å; P170-V228 HydrophobicContact CB-CG1 3.9Å; P170-V228 HydrophobicContact CB-CG2 3.69Å; P170-V228 HydrophobicContact CG-CG1 4.43Å; P170-V228 HydrophobicContact CG-CG2 3.75Å; P170-Y265 HydrophobicContact CB-CD2 4.2Å; P170-Y265 HydrophobicContact CB-CE1 4.37Å; P170-Y265 HydrophobicContact CB-CE2 3.67Å; P170-Y265 HydrophobicContact CG-CE1 4.46Å; P170-Y265 HydrophobicContact CG-CE2 4.22Å; P170-Y265 WeakPolarHBondContact CG-OH 3.44Å
171T94.9Very high96.2Very high59 Ų5954 Ų5436%0.36228%0.279SS..THydrogen-bonded Turntrans-88.7-7.4-17756.70000113.1D169 V173 V174 E175D169-T171 HydrophobicContact CB-CG2 4.15Å; D169-T171 PolarHBondContact O-N 3.44Å; T171-V173 VanDerWaalsContact C-N 3.35Å; T171-V173 PolarHBondContact O-N 3.21Å; T171-V174 PolarHBondContact O-N 2.87Å; T171-E175 WeakPolarHBondContact CB-OE1 3.36Å; T171-E175 WeakPolarHBondContact O-CG 3.5Å; T171-E175 PolarHBondContact O-N 3Å; T171-E175 VanDerWaalsContact OG1-CD 3.22Å; T171-E175 PolarHBondContact OG1-OE1 2.94Å
172Y94.3Very high96.2Very high33 Ų3353 Ų5313%0.12928%0.28CS..Hα-helixtrans-49-48-171.6171.4-102.8000114.3A176 N233 Y260 S262 F339Y172-A176 WeakPolarHBondContact O-CB 3.47Å; Y172-A176 PolarHBondContact O-N 3.31Å; Y172-N233 HydrophobicContact CE1-CB 3.99Å; Y172-Y260 VanDerWaalsContact CZ-O 3.32Å; Y172-Y260 VanDerWaalsContact OH-CB 3.31Å; Y172-Y260 WeakPolarHBondContact OH-CB 3.48Å; Y172-Y260 WeakPolarHBondContact OH-CD1 3.42Å; Y172-Y260 PolarHBondContact OH-O 3.28Å; Y172-S262 VanDerWaalsContact CB-OG 3.31Å; Y172-S262 WeakPolarHBondContact CB-OG 3.44Å; Y172-S262 WeakPolarHBondContact CD1-OG 3.49Å; Y172-S262 WeakPolarHBondContact CD2-OG 3.39Å; Y172-F339 HydrophobicContact CE1-CE2 4.07Å; Y172-F339 AromaticContact CE1-CZ 3.72Å; Y172-F339 HydrophobicContact CE1-CZ 3.72Å
173V97.3Very high96.1Very high2 Ų255.3 Ų55.31%0.01229%0.29CS..Hα-helixtrans-61.2-51.6-176.71790000110.8T171 V177 L221 N264 F268 I335 F339T171-V173 VanDerWaalsContact C-N 3.35Å; T171-V173 PolarHBondContact O-N 3.21Å; V173-V177 VanDerWaalsContact O-CG2 3.3Å; V173-V177 WeakPolarHBondContact O-CG2 3.38Å; V173-V177 PolarHBondContact O-N 2.92Å; V173-V177 VanDerWaalsContact O-N 3.12Å; V173-L221 HydrophobicContact CB-CD1 3.97Å; V173-L221 HydrophobicContact CG1-CD1 3.99Å; V173-N264 WeakPolarHBondContact CG2-ND2 3.39Å; V173-F268 HydrophobicContact CB-CE2 4.46Å; V173-F268 HydrophobicContact CG1-CE2 4.02Å; V173-F268 HydrophobicContact CG2-CD2 3.68Å; V173-F268 HydrophobicContact CG2-CE2 3.52Å; V173-F268 HydrophobicContact CG2-CG 4.29Å; V173-F268 HydrophobicContact CG2-CZ 4.01Å; V173-I335 HydrophobicContact CG1-CG2 4.23Å; V173-F339 HydrophobicContact CB-CD2 4.46Å; V173-F339 HydrophobicContact CG1-CD2 3.82Å; V173-F339 HydrophobicContact CG1-CE2 4.45Å
174V98.1Very high96.1Very high17 Ų1751 Ų5110%0.10326%0.259CS..Hα-helixtrans-66.8-45.5-177.6176.40000110.4T171 A176 V177 Q178 L214 R218 L221T171-V174 PolarHBondContact O-N 2.87Å; V174-A176 PolarHBondContact O-N 3.48Å; V174-V177 PolarHBondContact O-N 2.87Å; V174-Q178 HydrophobicContact CG1-CG 4.29Å; V174-Q178 WeakPolarHBondContact O-CB 3.5Å; V174-Q178 VanDerWaalsContact O-CG 3.24Å; V174-Q178 WeakPolarHBondContact O-CG 3.44Å; V174-Q178 PolarHBondContact O-N 3.32Å; V174-L214 HydrophobicContact CG1-CD1 4.31Å; V174-R218 HydrophobicContact CG2-CB 4.23Å; V174-R218 HydrophobicContact CG2-CG 4.27Å; V174-L221 HydrophobicContact CG2-CD1 3.9Å
175E96.3Very high96.1Very high97 Ų9756 Ų5645%0.45328%0.281SS..Hα-helixtrans-63.9-41.7-179.9-72.8178.3-167.100112.3T171 R179T171-E175 WeakPolarHBondContact CB-OE1 3.36Å; T171-E175 WeakPolarHBondContact O-CG 3.5Å; T171-E175 PolarHBondContact O-N 3Å; T171-E175 VanDerWaalsContact OG1-CD 3.22Å; T171-E175 PolarHBondContact OG1-OE1 2.94Å; E175-R179 WeakPolarHBondContact O-CB 3.43Å; E175-R179 WeakPolarHBondContact O-CG 3.28Å; E175-R179 PolarHBondContact O-N 3.24Å
176A95.8Very high96.1Very high1 Ų157.1 Ų57.11%0.00828%0.278CS..Hα-helixtrans-63.2-48.8176.900000111.4Y172 V174 Q178 R179 W180 F339Y172-A176 WeakPolarHBondContact O-CB 3.47Å; Y172-A176 PolarHBondContact O-N 3.31Å; V174-A176 PolarHBondContact O-N 3.48Å; A176-Q178 PolarHBondContact O-N 3.29Å; A176-R179 PolarHBondContact O-N 3.46Å; A176-W180 HydrophobicContact CB-CH2 4.17Å; A176-W180 HydrophobicContact CB-CZ2 4.16Å; A176-W180 HydrophobicContact CB-CZ3 4.34Å; A176-W180 VanDerWaalsContact O-CD2 3.28Å; A176-W180 VanDerWaalsContact O-CG 3.22Å; A176-W180 PolarHBondContact O-N 3.37Å; A176-F339 HydrophobicContact CB-CE2 3.75Å; A176-F339 HydrophobicContact CB-CZ 4.24Å
177V98.4Very high96.1Very high0 Ų061 Ų610%029%0.294CS..Hα-helixtrans-61.7-43.5177.9174.80000111.1V173 V174 R179 W180 I181 L214 F338 F339 V342V173-V177 VanDerWaalsContact O-CG2 3.3Å; V173-V177 WeakPolarHBondContact O-CG2 3.38Å; V173-V177 PolarHBondContact O-N 2.92Å; V173-V177 VanDerWaalsContact O-N 3.12Å; V174-V177 PolarHBondContact O-N 2.87Å; V177-R179 PolarHBondContact O-N 3.32Å; V177-W180 HydrophobicContact CG2-CE3 4.32Å; V177-W180 HydrophobicContact CG2-CZ3 4.38Å; V177-W180 PolarHBondContact O-N 3.37Å; V177-I181 HydrophobicContact CG1-CD1 3.74Å; V177-I181 HydrophobicContact CG1-CG1 4.33Å; V177-I181 WeakPolarHBondContact O-CG1 3.39Å; V177-I181 PolarHBondContact O-N 3.11Å; V177-L214 HydrophobicContact CB-CD1 4.17Å; V177-L214 HydrophobicContact CG1-CD1 3.89Å; V177-L214 HydrophobicContact CG1-CD2 4.11Å; V177-L214 HydrophobicContact CG1-CG 4.46Å; V177-F338 HydrophobicContact CG1-CE1 3.91Å; V177-F338 HydrophobicContact CG1-CZ 4.42Å; V177-F339 HydrophobicContact CG2-CD2 3.73Å; V177-F339 HydrophobicContact CG2-CE2 4.39Å; V177-V342 HydrophobicContact CG1-CB 4.16Å; V177-V342 HydrophobicContact CG1-CG1 3.91Å; V177-V342 HydrophobicContact CG1-CG2 4.01Å
178Q98Very high96.1Very high101 Ų10158.7 Ų58.747%0.47228%0.277SS..Hα-helixtrans-60.7-42.8175.7-75.5177.7-23.800112.6V174 A176 K182 L214V174-Q178 HydrophobicContact CG1-CG 4.29Å; V174-Q178 WeakPolarHBondContact O-CB 3.5Å; V174-Q178 VanDerWaalsContact O-CG 3.24Å; V174-Q178 WeakPolarHBondContact O-CG 3.44Å; V174-Q178 PolarHBondContact O-N 3.32Å; A176-Q178 PolarHBondContact O-N 3.29Å; Q178-K182 WeakPolarHBondContact O-CB 3.24Å; Q178-K182 PolarHBondContact O-N 3.41Å; Q178-L214 HydrophobicContact CG-CD2 3.79Å
179R95.5Very high95.9Very high105 Ų10563.9 Ų63.940%0.39630%0.299SS..Hα-helixtrans-63.4-42.2175.9-73.6-178.2-48.2101.8-8111.5E96 E175 A176 V177 K182 H183E96-R179 IonicContact OE1-CZ 3.38Å; E96-R179 IonicContact OE1-NH1 3.1Å; E96-R179 PolarHBondContact OE1-NH1 3.37Å; E96-R179 IonicContact OE1-NH2 2.78Å; E175-R179 WeakPolarHBondContact O-CB 3.43Å; E175-R179 WeakPolarHBondContact O-CG 3.28Å; E175-R179 PolarHBondContact O-N 3.24Å; A176-R179 PolarHBondContact O-N 3.46Å; V177-R179 PolarHBondContact O-N 3.32Å; R179-K182 PolarHBondContact O-N 3.03Å; R179-H183 WeakPolarHBondContact O-CB 3.47Å; R179-H183 PolarHBondContact O-N 2.92Å
180W97.1Very high95.7Very high18 Ų1866.3 Ų66.37%0.06831%0.307CS..Hα-helixtrans-68.2-41.2178.3-62.1-31.1000112.9A176 V177 K182 H183 L184 Y260 F339 V342 W343 L346A176-W180 HydrophobicContact CB-CH2 4.17Å; A176-W180 HydrophobicContact CB-CZ2 4.16Å; A176-W180 HydrophobicContact CB-CZ3 4.34Å; A176-W180 VanDerWaalsContact O-CD2 3.28Å; A176-W180 VanDerWaalsContact O-CG 3.22Å; A176-W180 PolarHBondContact O-N 3.37Å; V177-W180 HydrophobicContact CG2-CE3 4.32Å; V177-W180 HydrophobicContact CG2-CZ3 4.38Å; V177-W180 PolarHBondContact O-N 3.37Å; W180-K182 VanDerWaalsContact C-N 3.31Å; W180-K182 PolarHBondContact O-N 3.39Å; W180-H183 PolarHBondContact O-N 2.95Å; W180-L184 WeakPolarHBondContact O-CB 3.23Å; W180-L184 PolarHBondContact O-N 3.45Å; W180-Y260 HydrophobicContact CZ2-CE1 4.07Å; W180-F339 HydrophobicContact CH2-CD1 4.22Å; W180-F339 HydrophobicContact CH2-CD2 4.35Å; W180-F339 AromaticContact CH2-CE1 3.54Å; W180-F339 HydrophobicContact CH2-CE1 3.54Å; W180-F339 AromaticContact CH2-CE2 3.71Å; W180-F339 HydrophobicContact CH2-CE2 3.71Å; W180-F339 AromaticContact CH2-CZ 3.25Å; W180-F339 HydrophobicContact CH2-CZ 3.25Å; W180-F339 HydrophobicContact CZ2-CZ 4.28Å; W180-F339 HydrophobicContact CZ3-CD1 4.19Å; W180-F339 AromaticContact CZ3-CD2 3.94Å; W180-F339 HydrophobicContact CZ3-CD2 3.94Å; W180-F339 AromaticContact CZ3-CE1 3.94Å; W180-F339 HydrophobicContact CZ3-CE1 3.94Å; W180-F339 AromaticContact CZ3-CE2 3.7Å; W180-F339 HydrophobicContact CZ3-CE2 3.7Å; W180-F339 HydrophobicContact CZ3-CG 4.2Å; W180-F339 AromaticContact CZ3-CZ 3.7Å; W180-F339 HydrophobicContact CZ3-CZ 3.7Å; W180-V342 HydrophobicContact CB-CG1 4.29Å; W180-W343 HydrophobicContact CD2-CB 4.37Å; W180-W343 AromaticContact CE2-CD1 3.88Å; W180-W343 HydrophobicContact CE3-CB 3.88Å; W180-W343 HydrophobicContact CH2-CB 3.89Å; W180-W343 AromaticContact CH2-CD1 3.88Å; W180-W343 HydrophobicContact CH2-CG 4.21Å; W180-W343 HydrophobicContact CZ2-CB 4.42Å; W180-W343 AromaticContact CZ2-CD1 3.63Å; W180-W343 HydrophobicContact CZ2-CG 4.38Å; W180-W343 HydrophobicContact CZ3-CB 3.63Å; W180-W343 HydrophobicContact CZ3-CG 4.41Å; W180-L346 HydrophobicContact CB-CB 4.5Å; W180-L346 HydrophobicContact CB-CD2 3.92Å; W180-L346 HydrophobicContact CG-CD2 3.93Å
181I98.1Very high95.7Very high9 Ų965.5 Ų65.55%0.04630%0.3CS..Hα-helixtrans-61.3-43.6173.9-70.1168000110.3V177 L184 K185 F191 V210 M211 L214 V342V177-I181 HydrophobicContact CG1-CD1 3.74Å; V177-I181 HydrophobicContact CG1-CG1 4.33Å; V177-I181 WeakPolarHBondContact O-CG1 3.39Å; V177-I181 PolarHBondContact O-N 3.11Å; I181-L184 PolarHBondContact O-N 3.4Å; I181-K185 HydrophobicContact CG2-CD 4.06Å; I181-K185 VanDerWaalsContact O-CG 3.27Å; I181-K185 WeakPolarHBondContact O-CG 3.46Å; I181-K185 PolarHBondContact O-N 3.3Å; I181-F191 HydrophobicContact CG2-CE2 4.47Å; I181-V210 HydrophobicContact CD1-CG1 3.82Å; I181-V210 HydrophobicContact CG1-CG1 4.36Å; I181-M211 HydrophobicContact CD1-SD 3.87Å; I181-M211 HydrophobicContact CG2-SD 3.94Å; I181-L214 HydrophobicContact CD1-CD2 4Å; I181-V342 HydrophobicContact CD1-CG1 4.39Å; I181-V342 HydrophobicContact CG1-CG1 3.76Å
182K96.8Very high95.7Very high134 Ų13463.4 Ų63.458%0.58329%0.287SS*.Hα-helixtrans-59.3-49.4176.2-176.8-174.1171.9-168.70111.1Q178 R179 W180 K185 E186Q178-K182 WeakPolarHBondContact O-CB 3.24Å; Q178-K182 PolarHBondContact O-N 3.41Å; R179-K182 PolarHBondContact O-N 3.03Å; W180-K182 VanDerWaalsContact C-N 3.31Å; W180-K182 PolarHBondContact O-N 3.39Å; K182-K185 PolarHBondContact O-N 3.2Å; K182-E186 WeakPolarHBondContact CE-OE1 3.28Å; K182-E186 IonicContact NZ-OE1 3.64Å; K182-E186 WeakPolarHBondContact O-CG 3.46Å; K182-E186 PolarHBondContact O-N 3.31Å
183H95.1Very high95.8Very high62 Ų6268.9 Ų68.929%0.28731%0.314SS..Hα-helixtrans-64.4-42.9179.7-170-172.3000111.5R179 W180 K185 E186 E187 L346R179-H183 WeakPolarHBondContact O-CB 3.47Å; R179-H183 PolarHBondContact O-N 2.92Å; W180-H183 PolarHBondContact O-N 2.95Å; H183-K185 VanDerWaalsContact C-N 3.3Å; H183-K185 PolarHBondContact O-N 2.8Å; H183-E186 WeakPolarHBondContact O-CA 3.36Å; H183-E186 WeakPolarHBondContact O-CB 3.19Å; H183-E186 PolarHBondContact O-N 3.37Å; H183-E187 VanDerWaalsContact CD2-CG 3.41Å; H183-E187 WeakPolarHBondContact CD2-CG 3.31Å; H183-E187 IonicContact CD2-OE1 3.11Å; H183-E187 PolarHBondContact CD2-OE1 2.74Å; H183-E187 VanDerWaalsContact NE2-CG 3.35Å; H183-E187 WeakPolarHBondContact NE2-CG 3.41Å; H183-E187 IonicContact NE2-OE1 3.16Å; H183-E187 PolarHBondContact NE2-OE1 3.1Å; H183-E187 WeakPolarHBondContact O-CG 3.34Å; H183-E187 PolarHBondContact O-N 3.27Å; H183-L346 HydrophobicContact CB-CD1 4.05Å; H183-L346 HydrophobicContact CB-CD2 4.32Å
184L96.6Very high95.8Very high0 Ų070.1 Ų70.10%032%0.319CS..Hα-helixtrans-54.9-47175.7173.355.8000111.1W180 I181 E186 E187 T188 F191 P192 L345 L346 E349W180-L184 WeakPolarHBondContact O-CB 3.23Å; W180-L184 PolarHBondContact O-N 3.45Å; I181-L184 PolarHBondContact O-N 3.4Å; L184-E186 PolarHBondContact O-N 2.93Å; L184-E187 PolarHBondContact O-N 3.32Å; L184-T188 HydrophobicContact CD1-CG2 4.15Å; L184-T188 VanDerWaalsContact O-CG2 3.25Å; L184-T188 WeakPolarHBondContact O-CG2 3.49Å; L184-T188 PolarHBondContact O-N 3.22Å; L184-F191 HydrophobicContact CD2-CD2 4.04Å; L184-F191 HydrophobicContact CD2-CE1 4.44Å; L184-F191 HydrophobicContact CD2-CE2 3.45Å; L184-F191 VanDerWaalsContact CD2-CE2 3.45Å; L184-F191 HydrophobicContact CD2-CZ 3.68Å; L184-F191 HydrophobicContact CG-CD2 4.32Å; L184-F191 HydrophobicContact CG-CE2 4.11Å; L184-P192 HydrophobicContact CD1-CG 4.49Å; L184-L345 HydrophobicContact CD2-CB 3.78Å; L184-L345 HydrophobicContact CD2-CD1 4.38Å; L184-L346 HydrophobicContact CB-CD1 4.15Å; L184-E349 HydrophobicContact CD1-CB 4.35Å; L184-E349 HydrophobicContact CD1-CG 3.53Å
185K96.6Very high95.8Very high106 Ų10672.2 Ų72.246%0.46134%0.339SS..Hα-helixtrans-65.4-22.2177-70.2175.864.3160.30114.2I181 K182 H183 F191 E207I181-K185 HydrophobicContact CG2-CD 4.06Å; I181-K185 VanDerWaalsContact O-CG 3.27Å; I181-K185 WeakPolarHBondContact O-CG 3.46Å; I181-K185 PolarHBondContact O-N 3.3Å; K182-K185 PolarHBondContact O-N 3.2Å; H183-K185 VanDerWaalsContact C-N 3.3Å; H183-K185 PolarHBondContact O-N 2.8Å; K185-F191 HydrophobicContact CG-CD2 4.26Å; K185-E207 WeakPolarHBondContact CE-OE1 3.09Å; K185-E207 IonicContact NZ-OE1 3.33Å; K185-E207 PolarHBondContact NZ-OE1 3.43Å
186E96Very high95.8Very high125 Ų12568.4 Ų68.458%0.58432%0.321SS*.Hα-helixtrans-82.3-30.1175.8-70.8168.5173.500111.7K182 H183 L184K182-E186 WeakPolarHBondContact CE-OE1 3.28Å; K182-E186 IonicContact NZ-OE1 3.64Å; K182-E186 WeakPolarHBondContact O-CG 3.46Å; K182-E186 PolarHBondContact O-N 3.31Å; H183-E186 WeakPolarHBondContact O-CA 3.36Å; H183-E186 WeakPolarHBondContact O-CB 3.19Å; H183-E186 PolarHBondContact O-N 3.37Å; L184-E186 PolarHBondContact O-N 2.93Å
187E93.3Very high95.8Very high111 Ų11173.8 Ų73.852%0.51935%0.346SS..Hα-helixtrans-93.9-24.3-175.9-60.7-69.2170.800113.4H183 L184 I350H183-E187 VanDerWaalsContact CD2-CG 3.41Å; H183-E187 WeakPolarHBondContact CD2-CG 3.31Å; H183-E187 IonicContact CD2-OE1 3.11Å; H183-E187 PolarHBondContact CD2-OE1 2.74Å; H183-E187 VanDerWaalsContact NE2-CG 3.35Å; H183-E187 WeakPolarHBondContact NE2-CG 3.41Å; H183-E187 IonicContact NE2-OE1 3.16Å; H183-E187 PolarHBondContact NE2-OE1 3.1Å; H183-E187 WeakPolarHBondContact O-CG 3.34Å; H183-E187 PolarHBondContact O-N 3.27Å; L184-E187 PolarHBondContact O-N 3.32Å; E187-I350 HydrophobicContact CB-CG2 4.04Å; E187-I350 HydrophobicContact CG-CG2 3.69Å
188T93.1Very high95.5Very high28 Ų2874.2 Ų74.217%0.17235%0.349CS..  trans-107.8149.9-179.4-160.10000113.3L184 H190 E349L184-T188 HydrophobicContact CD1-CG2 4.15Å; L184-T188 VanDerWaalsContact O-CG2 3.25Å; L184-T188 WeakPolarHBondContact O-CG2 3.49Å; L184-T188 PolarHBondContact O-N 3.22Å; T188-H190 WeakPolarHBondContact CG2-O 3.16Å; T188-H190 PolarHBondContact OG1-O 3.22Å; T188-E349 PolarHBondContact OG1-OE1 2.9Å
189K91.5Very high95.1Very high196 Ų19674.3 Ų74.385%0.85235%0.353SS*.SBendtrans-80.2-31.6171.2-68.8-176.4-177.4175.70112.4
190H91.9Very high94.8Very high155 Ų15577.4 Ų77.472%0.71838%0.377SS*.SBendtrans-137.8125.7-178.5-57.696.5000107.7T188T188-H190 WeakPolarHBondContact CG2-O 3.16Å; T188-H190 PolarHBondContact OG1-O 3.22Å
191F94.3Very high94.3Very high17 Ų1779.4 Ų79.48%0.07539%0.387CS..  trans-56138.4176.4-162.3-83.7000109.5I181 L184 K185 E193 E207 V210 L345I181-F191 HydrophobicContact CG2-CE2 4.47Å; L184-F191 HydrophobicContact CD2-CD2 4.04Å; L184-F191 HydrophobicContact CD2-CE1 4.44Å; L184-F191 HydrophobicContact CD2-CE2 3.45Å; L184-F191 VanDerWaalsContact CD2-CE2 3.45Å; L184-F191 HydrophobicContact CD2-CZ 3.68Å; L184-F191 HydrophobicContact CG-CD2 4.32Å; L184-F191 HydrophobicContact CG-CE2 4.11Å; K185-F191 HydrophobicContact CG-CD2 4.26Å; F191-E193 PolarHBondContact O-N 3.45Å; F191-E207 HydrophobicContact CB-CB 3.93Å; F191-E207 HydrophobicContact CD1-CB 3.91Å; F191-E207 HydrophobicContact CD2-CB 3.9Å; F191-E207 HydrophobicContact CD2-CG 3.93Å; F191-E207 HydrophobicContact CE1-CB 4.41Å; F191-E207 HydrophobicContact CE2-CB 4.38Å; F191-E207 HydrophobicContact CE2-CG 4.22Å; F191-E207 HydrophobicContact CG-CB 3.64Å; F191-E207 HydrophobicContact CG-CG 4.21Å; F191-V210 HydrophobicContact CE1-CB 4.5Å; F191-V210 HydrophobicContact CE1-CG2 4.05Å; F191-V210 HydrophobicContact CZ-CB 4.29Å; F191-V210 HydrophobicContact CZ-CG1 4.39Å; F191-V210 HydrophobicContact CZ-CG2 4.21Å; F191-L345 HydrophobicContact CE1-CD1 3.92Å; F191-L345 HydrophobicContact CZ-CD1 4.05Å
192P95Very high94.1Very high15 Ų1583 Ų8310%0.09741%0.409CS..  trans-58.2130.3179-2735000112.5L184 L345L184-P192 HydrophobicContact CD1-CG 4.49Å; P192-L345 HydrophobicContact CB-CD2 4.13Å; P192-L345 HydrophobicContact CG-CD2 4.41Å
193E96.9Very high94Very high148 Ų14877.2 Ų77.269%0.69239%0.385SS*.  trans-124.8133.4-179.8-64.7-179.9-175.600110.8F191 V205 N206F191-E193 PolarHBondContact O-N 3.45Å; E193-V205 VanDerWaalsContact CA-O 3.32Å; E193-V205 WeakPolarHBondContact CA-O 3.41Å; E193-N206 HydrophobicContact CG-CB 3.77Å
194F98Very high94Very high28 Ų2880.6 Ų80.612%0.12340%0.401CS..EExtended strand (participates in β ladder)trans-158.9161.9176.751.4-90.8000111.3L196 V205 L345 L358 K362 F365F194-L196 HydrophobicContact CD2-CD2 3.79Å; F194-L196 HydrophobicContact CD2-CG 3.92Å; F194-L196 HydrophobicContact CE2-CD1 4.01Å; F194-L196 HydrophobicContact CE2-CD2 3.86Å; F194-L196 HydrophobicContact CE2-CG 3.89Å; F194-V205 HydrophobicContact CD2-CB 4Å; F194-V205 HydrophobicContact CD2-CG2 4.23Å; F194-V205 HydrophobicContact CE1-CB 4.37Å; F194-V205 HydrophobicContact CE1-CG1 4.23Å; F194-V205 HydrophobicContact CE2-CB 3.57Å; F194-V205 HydrophobicContact CE2-CG1 3.96Å; F194-V205 HydrophobicContact CE2-CG2 3.69Å; F194-V205 HydrophobicContact CZ-CB 3.78Å; F194-V205 HydrophobicContact CZ-CG1 3.66Å; F194-V205 HydrophobicContact CZ-CG2 4.26Å; F194-V205 PolarHBondContact N-O 3.45Å; F194-V205 VanDerWaalsContact N-O 3.09Å; F194-V205 PolarHBondContact O-N 3.3Å; F194-L345 HydrophobicContact CE1-CD2 3.93Å; F194-L345 HydrophobicContact CZ-CD2 4.41Å; F194-L358 HydrophobicContact CD1-CD1 4.26Å; F194-L358 HydrophobicContact CE1-CD1 4.22Å; F194-K362 HydrophobicContact CD1-CG 4.33Å; F194-K362 HydrophobicContact CD2-CD 4.5Å; F194-K362 HydrophobicContact CD2-CG 3.73Å; F194-K362 HydrophobicContact CE1-CG 4.31Å; F194-K362 HydrophobicContact CE2-CB 4.41Å; F194-K362 HydrophobicContact CE2-CG 3.69Å; F194-K362 HydrophobicContact CG-CG 4.06Å; F194-K362 HydrophobicContact CZ-CG 3.99Å; F194-F365 HydrophobicContact CE2-CD2 4.25Å; F194-F365 AromaticContact CZ-CD2 3.66Å; F194-F365 HydrophobicContact CZ-CD2 3.66Å; F194-F365 HydrophobicContact CZ-CE2 4.13Å
195A97.5Very high94Very high61 Ų6180.7 Ų80.750%0.50440%0.402SS..EExtended strand (participates in β ladder)trans-105144.6173.100000110.6T202 V203A195-T202 HydrophobicContact CB-CG2 3.77Å; A195-V203 WeakPolarHBondContact CA-O 3.36Å
196L96.9Very high94Very high17 Ų1777.4 Ų77.49%0.08939%0.389CS..EExtended strand (participates in β ladder)trans-122.4140.6175.2-60176.1000109.6F194 V198 T202 V203 V205 K362 F365 H366 F369F194-L196 HydrophobicContact CD2-CD2 3.79Å; F194-L196 HydrophobicContact CD2-CG 3.92Å; F194-L196 HydrophobicContact CE2-CD1 4.01Å; F194-L196 HydrophobicContact CE2-CD2 3.86Å; F194-L196 HydrophobicContact CE2-CG 3.89Å; L196-V198 HydrophobicContact CB-CG2 4.2Å; L196-T202 CarbonylContact O-C 3.57Å; L196-T202 WeakPolarHBondContact O-CA 3.32Å; L196-V203 PolarHBondContact N-O 2.98Å; L196-V203 PolarHBondContact O-N 2.83Å; L196-V205 HydrophobicContact CD1-CG2 3.86Å; L196-V205 HydrophobicContact CG-CG2 4.25Å; L196-K362 HydrophobicContact CD2-CB 4.02Å; L196-K362 HydrophobicContact CD2-CG 4.25Å; L196-F365 HydrophobicContact CD1-CB 3.56Å; L196-H366 HydrophobicContact CD1-CB 4.36Å; L196-F369 HydrophobicContact CD1-CD2 4.12Å; L196-F369 HydrophobicContact CD1-CE2 4.45Å
197E95.6Very high94Very high113 Ų11374.7 Ų74.753%0.52838%0.377SS..EExtended strand (participates in β ladder)trans-91.7120.1168.5-62.9-58.2137.300109.1T202 H366E197-T202 WeakPolarHBondContact OE1-CB 3.48Å; E197-T202 WeakPolarHBondContact OE1-CG2 3.46Å; E197-T202 PolarHBondContact OE1-OG1 3.12Å; E197-T202 PolarHBondContact OE2-OG1 3.08Å; E197-H366 PolarHBondContact O-CE1 2.84Å; E197-H366 PolarHBondContact O-ND1 3.46Å
198V92.4Very high94.1Very high9 Ų977 Ų776%0.05539%0.388CS..EExtended strand (participates in β ladder)trans-134.3115-178-175.40000108.2L196 D200 Q201 V203 F369 K370L196-V198 HydrophobicContact CB-CG2 4.2Å; V198-D200 VanDerWaalsContact C-N 3.32Å; V198-D200 PolarHBondContact O-N 3.11Å; V198-Q201 PolarHBondContact N-O 2.67Å; V198-Q201 WeakPolarHBondContact O-CB 3.24Å; V198-Q201 PolarHBondContact O-N 3.06Å; V198-V203 HydrophobicContact CB-CG2 4.24Å; V198-V203 HydrophobicContact CG2-CG2 4.13Å; V198-F369 HydrophobicContact CG1-CB 4.11Å; V198-F369 HydrophobicContact CG2-CB 3.92Å; V198-K370 HydrophobicContact CG1-CB 4.11Å
199D89.2Confident94.1Very high104 Ų10477.5 Ų77.556%0.55639%0.386SS*.THydrogen-bonded Turntrans48.150.2179.8-58.6-30.3000113.2Q201D199-Q201 PolarHBondContact O-N 3.02Å
200D88.5Confident94.4Very high169 Ų16968.2 Ų68.290%0.90435%0.346SS*.THydrogen-bonded Turntrans63.718.2-177.2-54.3-51.3000115.2V198V198-D200 VanDerWaalsContact C-N 3.32Å; V198-D200 PolarHBondContact O-N 3.11Å
201Q87.3Confident94.6Very high60 Ų6065 Ų6528%0.2833%0.332SS..EExtended strand (participates in β ladder)trans-119.9135.5174.5-59.4-177-16.100111.8V198 D199 P400V198-Q201 PolarHBondContact N-O 2.67Å; V198-Q201 WeakPolarHBondContact O-CB 3.24Å; V198-Q201 PolarHBondContact O-N 3.06Å; D199-Q201 PolarHBondContact O-N 3.02Å; Q201-P400 PolarHBondContact NE2-O 3.37Å
202T93.9Very high94.6Very high84 Ų8465.8 Ų65.852%0.51534%0.34SS..EExtended strand (participates in β ladder)trans-79.5120.5170.9-50.70000110.1A195 L196 E197A195-T202 HydrophobicContact CB-CG2 3.77Å; L196-T202 CarbonylContact O-C 3.57Å; L196-T202 WeakPolarHBondContact O-CA 3.32Å; E197-T202 WeakPolarHBondContact OE1-CB 3.48Å; E197-T202 WeakPolarHBondContact OE1-CG2 3.46Å; E197-T202 PolarHBondContact OE1-OG1 3.12Å; E197-T202 PolarHBondContact OE2-OG1 3.08Å
203V93.7Very high94.6Very high14 Ų1465.1 Ų65.19%0.08534%0.335CS..EExtended strand (participates in β ladder)trans-107.6116174.1-178.80000109.2A195 L196 V198 F369A195-V203 WeakPolarHBondContact CA-O 3.36Å; L196-V203 PolarHBondContact N-O 2.98Å; L196-V203 PolarHBondContact O-N 2.83Å; V198-V203 HydrophobicContact CB-CG2 4.24Å; V198-V203 HydrophobicContact CG2-CG2 4.13Å; V203-F369 HydrophobicContact CG1-CD1 4.01Å; V203-F369 HydrophobicContact CG1-CD2 3.94Å; V203-F369 HydrophobicContact CG1-CE1 3.88Å; V203-F369 HydrophobicContact CG1-CE2 3.82Å; V203-F369 HydrophobicContact CG1-CG 4.06Å; V203-F369 HydrophobicContact CG1-CZ 3.79Å
204E96.1Very high94.6Very high133 Ų13358.5 Ų58.562%0.62131%0.305SS*.EExtended strand (participates in β ladder)trans-80124.1172-64.3-173.3166.100110.7R209E204-R209 WeakPolarHBondContact O-CG 3.47Å
205V97.1Very high94.4Very high1 Ų159.9 Ų59.91%0.00631%0.312CS..EExtended strand (participates in β ladder)trans-106.8116.7174.7-175.40000108.4E193 F194 L196 V210 F365 F369E193-V205 VanDerWaalsContact CA-O 3.32Å; E193-V205 WeakPolarHBondContact CA-O 3.41Å; F194-V205 HydrophobicContact CD2-CB 4Å; F194-V205 HydrophobicContact CD2-CG2 4.23Å; F194-V205 HydrophobicContact CE1-CB 4.37Å; F194-V205 HydrophobicContact CE1-CG1 4.23Å; F194-V205 HydrophobicContact CE2-CB 3.57Å; F194-V205 HydrophobicContact CE2-CG1 3.96Å; F194-V205 HydrophobicContact CE2-CG2 3.69Å; F194-V205 HydrophobicContact CZ-CB 3.78Å; F194-V205 HydrophobicContact CZ-CG1 3.66Å; F194-V205 HydrophobicContact CZ-CG2 4.26Å; F194-V205 PolarHBondContact N-O 3.45Å; F194-V205 VanDerWaalsContact N-O 3.09Å; F194-V205 PolarHBondContact O-N 3.3Å; L196-V205 HydrophobicContact CD1-CG2 3.86Å; L196-V205 HydrophobicContact CG-CG2 4.25Å; V205-V210 HydrophobicContact CG1-CG2 3.96Å; V205-F365 HydrophobicContact CG1-CD2 4.2Å; V205-F365 HydrophobicContact CG1-CE1 4.44Å; V205-F365 HydrophobicContact CG1-CE2 4.12Å; V205-F365 HydrophobicContact CG1-CG 4.4Å; V205-F365 HydrophobicContact CG1-CZ 4.25Å; V205-F369 HydrophobicContact CG2-CE2 3.68Å; V205-F369 HydrophobicContact CG2-CZ 4.34Å
206N96.2Very high94.2Very high38 Ų3857 Ų5720%0.20329%0.288CS..SBendtrans-145.3179.5177.158.938000109.5E193 Q208 R209 V210E193-N206 HydrophobicContact CG-CB 3.77Å; N206-Q208 VanDerWaalsContact C-N 3.31Å; N206-Q208 PolarHBondContact O-N 2.95Å; N206-Q208 PolarHBondContact OD1-N 3.05Å; N206-R209 PolarHBondContact O-N 2.98Å; N206-R209 VanDerWaalsContact O-N 3.16Å; N206-R209 PolarHBondContact OD1-N 3.35Å; N206-V210 WeakPolarHBondContact O-CG2 3.42Å; N206-V210 PolarHBondContact O-N 2.88Å
207E95.9Very high94.1Very high68 Ų6856.2 Ų56.232%0.31828%0.284SS..Hα-helixtrans-54-47.8-179.1-174.4-17816400111.9K185 F191 R209 V210 M211K185-E207 WeakPolarHBondContact CE-OE1 3.09Å; K185-E207 IonicContact NZ-OE1 3.33Å; K185-E207 PolarHBondContact NZ-OE1 3.43Å; F191-E207 HydrophobicContact CB-CB 3.93Å; F191-E207 HydrophobicContact CD1-CB 3.91Å; F191-E207 HydrophobicContact CD2-CB 3.9Å; F191-E207 HydrophobicContact CD2-CG 3.93Å; F191-E207 HydrophobicContact CE1-CB 4.41Å; F191-E207 HydrophobicContact CE2-CB 4.38Å; F191-E207 HydrophobicContact CE2-CG 4.22Å; F191-E207 HydrophobicContact CG-CB 3.64Å; F191-E207 HydrophobicContact CG-CG 4.21Å; E207-R209 VanDerWaalsContact C-N 3.31Å; E207-R209 PolarHBondContact O-N 3.15Å; E207-V210 PolarHBondContact O-N 3.28Å; E207-M211 HydrophobicContact CG-CG 4.34Å; E207-M211 WeakPolarHBondContact O-CB 3.35Å; E207-M211 VanDerWaalsContact O-CG 3.24Å; E207-M211 WeakPolarHBondContact O-CG 3.47Å; E207-M211 PolarHBondContact O-N 3.41Å
208Q94.3Very high94.1Very high160 Ų16054.4 Ų54.475%0.74827%0.272SS*.Hα-helixtrans-60.3-43.9-178.7-179.3179.8-15.700111N206 M211 S212N206-Q208 VanDerWaalsContact C-N 3.31Å; N206-Q208 PolarHBondContact O-N 2.95Å; N206-Q208 PolarHBondContact OD1-N 3.05Å; Q208-M211 PolarHBondContact O-N 2.99Å; Q208-S212 PolarHBondContact O-N 3.49Å; Q208-S212 PolarHBondContact O-OG 2.69Å
209R94Very high94.2Very high38 Ų3855.5 Ų55.514%0.14328%0.276CS..Hα-helixtrans-64.1-47.3178.1-172.166.1-177.5-122.911.9111.4E204 N206 E207 M211 S212 E213 F369E204-R209 WeakPolarHBondContact O-CG 3.47Å; N206-R209 PolarHBondContact O-N 2.98Å; N206-R209 VanDerWaalsContact O-N 3.16Å; N206-R209 PolarHBondContact OD1-N 3.35Å; E207-R209 VanDerWaalsContact C-N 3.31Å; E207-R209 PolarHBondContact O-N 3.15Å; R209-M211 VanDerWaalsContact C-N 3.28Å; R209-M211 PolarHBondContact O-N 3.28Å; R209-S212 WeakPolarHBondContact CA-OG 3.47Å; R209-S212 PolarHBondContact O-N 2.71Å; R209-S212 PolarHBondContact O-OG 3.46Å; R209-E213 HydrophobicContact CG-CG 4.35Å; R209-E213 IonicContact CZ-OE1 3.32Å; R209-E213 IonicContact NE-OE1 2.79Å; R209-E213 PolarHBondContact NE-OE1 2.6Å; R209-E213 IonicContact NH2-OE1 2.97Å; R209-E213 PolarHBondContact NH2-OE1 3.17Å; R209-E213 VanDerWaalsContact O-CG 3.3Å; R209-E213 WeakPolarHBondContact O-CG 3.45Å; R209-E213 PolarHBondContact O-N 3.3Å; R209-F369 HydrophobicContact CG-CZ 4.17Å
210V97.2Very high94.5Very high1 Ų150.8 Ų50.81%0.00625%0.251CS..Hα-helixtrans-59.9-41.3178.6174.10000111I181 F191 V205 N206 E207 E213 L214 F338 V342 F365I181-V210 HydrophobicContact CD1-CG1 3.82Å; I181-V210 HydrophobicContact CG1-CG1 4.36Å; F191-V210 HydrophobicContact CE1-CB 4.5Å; F191-V210 HydrophobicContact CE1-CG2 4.05Å; F191-V210 HydrophobicContact CZ-CB 4.29Å; F191-V210 HydrophobicContact CZ-CG1 4.39Å; F191-V210 HydrophobicContact CZ-CG2 4.21Å; V205-V210 HydrophobicContact CG1-CG2 3.96Å; N206-V210 WeakPolarHBondContact O-CG2 3.42Å; N206-V210 PolarHBondContact O-N 2.88Å; E207-V210 PolarHBondContact O-N 3.28Å; V210-E213 PolarHBondContact O-N 3.43Å; V210-L214 WeakPolarHBondContact O-CB 3.31Å; V210-L214 PolarHBondContact O-N 2.82Å; V210-F338 HydrophobicContact CG1-CE2 4.35Å; V210-F338 HydrophobicContact CG1-CZ 4.19Å; V210-V342 HydrophobicContact CG1-CG2 3.92Å; V210-F365 HydrophobicContact CG2-CE1 4.25Å; V210-F365 HydrophobicContact CG2-CZ 3.86Å
211M95.9Very high94.8Very high88 Ų8842.9 Ų42.943%0.43321%0.209SC..Hα-helixtrans-66.8-39.5177.5-68.7-61-66.300112.8I181 E207 Q208 R209 E215I181-M211 HydrophobicContact CD1-SD 3.87Å; I181-M211 HydrophobicContact CG2-SD 3.94Å; E207-M211 HydrophobicContact CG-CG 4.34Å; E207-M211 WeakPolarHBondContact O-CB 3.35Å; E207-M211 VanDerWaalsContact O-CG 3.24Å; E207-M211 WeakPolarHBondContact O-CG 3.47Å; E207-M211 PolarHBondContact O-N 3.41Å; Q208-M211 PolarHBondContact O-N 2.99Å; R209-M211 VanDerWaalsContact C-N 3.28Å; R209-M211 PolarHBondContact O-N 3.28Å; M211-E215 PolarHBondContact O-N 2.97Å
212S94.4Very high95.1Very high33 Ų3344.7 Ų44.723%0.23122%0.22CC..Hα-helixtrans-68-38.8175.560.50000112.4Q208 R209 E215 L216 L395Q208-S212 PolarHBondContact O-N 3.49Å; Q208-S212 PolarHBondContact O-OG 2.69Å; R209-S212 WeakPolarHBondContact CA-OG 3.47Å; R209-S212 PolarHBondContact O-N 2.71Å; R209-S212 PolarHBondContact O-OG 3.46Å; S212-E215 WeakPolarHBondContact O-CB 3.3Å; S212-E215 PolarHBondContact O-N 2.78Å; S212-L216 PolarHBondContact O-N 2.79Å; S212-L395 WeakPolarHBondContact O-CD2 3.46Å
213E95.3Very high95.1Very high1 Ų143.2 Ų43.21%0.00521%0.209CC..Hα-helixtrans-70.3-35.2177.6-64-55167.100111.8R209 V210 E215 L216 V217 F338 Y368 F369 R372R209-E213 HydrophobicContact CG-CG 4.35Å; R209-E213 IonicContact CZ-OE1 3.32Å; R209-E213 IonicContact NE-OE1 2.79Å; R209-E213 PolarHBondContact NE-OE1 2.6Å; R209-E213 IonicContact NH2-OE1 2.97Å; R209-E213 PolarHBondContact NH2-OE1 3.17Å; R209-E213 VanDerWaalsContact O-CG 3.3Å; R209-E213 WeakPolarHBondContact O-CG 3.45Å; R209-E213 PolarHBondContact O-N 3.3Å; V210-E213 PolarHBondContact O-N 3.43Å; E213-E215 VanDerWaalsContact C-N 3.28Å; E213-E215 PolarHBondContact O-N 3.32Å; E213-L216 WeakPolarHBondContact O-CB 3.29Å; E213-L216 PolarHBondContact O-N 3.27Å; E213-V217 VanDerWaalsContact O-CG2 3.31Å; E213-V217 WeakPolarHBondContact O-CG2 3.24Å; E213-V217 PolarHBondContact O-N 3.27Å; E213-F338 HydrophobicContact CB-CD2 4.28Å; E213-F338 HydrophobicContact CB-CE2 3.69Å; E213-F338 HydrophobicContact CB-CZ 4.24Å; E213-Y368 HydrophobicContact CB-CE1 4.05Å; E213-Y368 WeakPolarHBondContact CB-OH 3.28Å; E213-Y368 HydrophobicContact CG-CE1 3.86Å; E213-Y368 PolarHBondContact OE2-OH 3.18Å; E213-F369 HydrophobicContact CG-CE1 4.05Å; E213-F369 HydrophobicContact CG-CZ 4.16Å; E213-R372 VanDerWaalsContact CD-NE 3.32Å; E213-R372 IonicContact OE1-CZ 3.49Å; E213-R372 IonicContact OE1-NE 3.52Å; E213-R372 PolarHBondContact OE1-NE 3.25Å; E213-R372 VanDerWaalsContact OE1-NE 3.16Å; E213-R372 IonicContact OE1-NH2 3.46Å; E213-R372 PolarHBondContact OE1-NH2 3.01Å; E213-R372 IonicContact OE2-CZ 3.54Å; E213-R372 IonicContact OE2-NE 2.71Å; E213-R372 PolarHBondContact OE2-NE 2.98Å; E213-R372 IonicContact OE2-NH2 2.69Å; E213-R372 PolarHBondContact OE2-NH2 2.87Å; E213-R372 VanDerWaalsContact OE2-NH2 3.11Å
214L96.7Very high95.2Very high8 Ų843.5 Ų43.54%0.04221%0.212CC..Hα-helixtrans-59.6-40.6171174.458000111.7V174 V177 Q178 I181 V210 V217 R218 F338V174-L214 HydrophobicContact CG1-CD1 4.31Å; V177-L214 HydrophobicContact CB-CD1 4.17Å; V177-L214 HydrophobicContact CG1-CD1 3.89Å; V177-L214 HydrophobicContact CG1-CD2 4.11Å; V177-L214 HydrophobicContact CG1-CG 4.46Å; Q178-L214 HydrophobicContact CG-CD2 3.79Å; I181-L214 HydrophobicContact CD1-CD2 4Å; V210-L214 WeakPolarHBondContact O-CB 3.31Å; V210-L214 PolarHBondContact O-N 2.82Å; L214-V217 PolarHBondContact O-N 3.02Å; L214-R218 WeakPolarHBondContact O-CB 3.34Å; L214-R218 PolarHBondContact O-N 3.38Å; L214-F338 HydrophobicContact CB-CE1 4.15Å; L214-F338 HydrophobicContact CB-CZ 3.95Å; L214-F338 HydrophobicContact CD1-CE1 4.25Å
215E94.5Very high95.1Very high58 Ų5844.5 Ų44.527%0.27122%0.222SC..Hα-helixtrans-65-42176.2175.557.7-155.400111.5M211 S212 E213 R218 Q219 L395M211-E215 PolarHBondContact O-N 2.97Å; S212-E215 WeakPolarHBondContact O-CB 3.3Å; S212-E215 PolarHBondContact O-N 2.78Å; E213-E215 VanDerWaalsContact C-N 3.28Å; E213-E215 PolarHBondContact O-N 3.32Å; E215-R218 WeakPolarHBondContact O-CB 3.45Å; E215-R218 PolarHBondContact O-N 3Å; E215-R218 IonicContact OE1-CZ 2.9Å; E215-R218 IonicContact OE1-NE 2.87Å; E215-R218 IonicContact OE1-NH2 3.43Å; E215-R218 PolarHBondContact OE1-NH2 3.14Å; E215-R218 IonicContact OE2-CZ 3.55Å; E215-R218 VanDerWaalsContact OE2-CZ 3.25Å; E215-R218 IonicContact OE2-NE 2.71Å; E215-R218 PolarHBondContact OE2-NE 3.24Å; E215-R218 IonicContact OE2-NH2 3.26Å; E215-R218 PolarHBondContact OE2-NH2 3.36Å; E215-Q219 WeakPolarHBondContact O-CG 3.49Å; E215-Q219 PolarHBondContact O-N 3.42Å; E215-Q219 PolarHBondContact OE1-NE2 2.8Å; E215-L395 HydrophobicContact CB-CD1 4.48Å; E215-L395 HydrophobicContact CB-CD2 4.3Å; E215-L395 HydrophobicContact CG-CD1 3.62Å; E215-L395 HydrophobicContact CG-CD2 4.1Å
216L92.6Very high95.1Very high0 Ų044.7 Ų44.70%022%0.223CC..Hα-helixtrans-60.3-46.3173.1-17675.1000111.8S212 E213 R218 Q219 F220 R372 I375 L379 L395 I396S212-L216 PolarHBondContact O-N 2.79Å; E213-L216 WeakPolarHBondContact O-CB 3.29Å; E213-L216 PolarHBondContact O-N 3.27Å; L216-R218 VanDerWaalsContact C-N 3.31Å; L216-R218 PolarHBondContact O-N 3.13Å; L216-Q219 PolarHBondContact O-N 2.84Å; L216-F220 PolarHBondContact O-N 3.39Å; L216-R372 HydrophobicContact CD2-CG 4.45Å; L216-I375 HydrophobicContact CD2-CG2 4.04Å; L216-I375 HydrophobicContact CG-CG2 3.94Å; L216-L379 HydrophobicContact CD1-CD1 3.48Å; L216-L379 VanDerWaalsContact CD1-CD1 3.48Å; L216-L379 HydrophobicContact CG-CD1 4.21Å; L216-L395 HydrophobicContact CD1-CB 3.99Å; L216-I396 HydrophobicContact CD1-CG1 4.19Å
217V96Very high95.2Very high1 Ų145.4 Ų45.41%0.00623%0.23CC..Hα-helixtrans-59.7-43.3176.1169.20000110.5E213 L214 Q219 F220 L221 I335 F338 Y368E213-V217 VanDerWaalsContact O-CG2 3.31Å; E213-V217 WeakPolarHBondContact O-CG2 3.24Å; E213-V217 PolarHBondContact O-N 3.27Å; L214-V217 PolarHBondContact O-N 3.02Å; V217-Q219 VanDerWaalsContact C-N 3.34Å; V217-Q219 PolarHBondContact O-N 2.96Å; V217-F220 PolarHBondContact O-N 3.4Å; V217-L221 HydrophobicContact CG1-CD1 3.75Å; V217-L221 HydrophobicContact CG1-CG 4.17Å; V217-L221 VanDerWaalsContact O-CG 3.28Å; V217-L221 WeakPolarHBondContact O-CG 3.43Å; V217-L221 PolarHBondContact O-N 2.88Å; V217-I335 HydrophobicContact CG1-CD1 4.39Å; V217-I335 HydrophobicContact CG1-CG1 4.29Å; V217-I335 HydrophobicContact CG1-CG2 3.82Å; V217-I335 HydrophobicContact CG2-CG1 4.29Å; V217-F338 HydrophobicContact CG2-CD1 4.07Å; V217-F338 HydrophobicContact CG2-CE1 4.45Å; V217-F338 HydrophobicContact CG2-CG 4.41Å; V217-Y368 HydrophobicContact CG2-CE2 4.38Å
218R95.9Very high95.3Very high75 Ų7545 Ų4528%0.28323%0.232SC..Hα-helixtrans-59.4-44176.6-174.3-176.571.980.3-6111.7V174 L214 E215 L216 L221 N222V174-R218 HydrophobicContact CG2-CB 4.23Å; V174-R218 HydrophobicContact CG2-CG 4.27Å; L214-R218 WeakPolarHBondContact O-CB 3.34Å; L214-R218 PolarHBondContact O-N 3.38Å; E215-R218 WeakPolarHBondContact O-CB 3.45Å; E215-R218 PolarHBondContact O-N 3Å; E215-R218 IonicContact OE1-CZ 2.9Å; E215-R218 IonicContact OE1-NE 2.87Å; E215-R218 IonicContact OE1-NH2 3.43Å; E215-R218 PolarHBondContact OE1-NH2 3.14Å; E215-R218 IonicContact OE2-CZ 3.55Å; E215-R218 VanDerWaalsContact OE2-CZ 3.25Å; E215-R218 IonicContact OE2-NE 2.71Å; E215-R218 PolarHBondContact OE2-NE 3.24Å; E215-R218 IonicContact OE2-NH2 3.26Å; E215-R218 PolarHBondContact OE2-NH2 3.36Å; L216-R218 VanDerWaalsContact C-N 3.31Å; L216-R218 PolarHBondContact O-N 3.13Å; R218-L221 PolarHBondContact O-N 3.3Å; R218-N222 PolarHBondContact NH1-ND2 2.93Å; R218-N222 VanDerWaalsContact O-CB 3.3Å; R218-N222 WeakPolarHBondContact O-CB 3.46Å; R218-N222 VanDerWaalsContact O-CG 3.22Å; R218-N222 PolarHBondContact O-N 3.15Å
219Q93.2Very high95.6Very high31 Ų3138.5 Ų38.515%0.14520%0.203CC..Hα-helixtrans-63.6-42.1177.3-65.5-69.46.100111.8E215 L216 V217 N223 L379 V392E215-Q219 WeakPolarHBondContact O-CG 3.49Å; E215-Q219 PolarHBondContact O-N 3.42Å; E215-Q219 PolarHBondContact OE1-NE2 2.8Å; L216-Q219 PolarHBondContact O-N 2.84Å; V217-Q219 VanDerWaalsContact C-N 3.34Å; V217-Q219 PolarHBondContact O-N 2.96Å; Q219-N223 PolarHBondContact O-N 2.89Å; Q219-N223 PolarHBondContact O-ND2 2.88Å; Q219-L379 HydrophobicContact CB-CD1 4.34Å; Q219-L379 HydrophobicContact CB-CD2 4.49Å; Q219-V392 HydrophobicContact CG-CG2 4.11Å
220F94.9Very high95.8Very high5 Ų536.7 Ų36.72%0.02220%0.196CC..Hα-helixtrans-60.5-51.3174.1177.6-81.8000111.9L216 V217 N222 N223 S224 F332 I335 I375 Y378 L379L216-F220 PolarHBondContact O-N 3.39Å; V217-F220 PolarHBondContact O-N 3.4Å; F220-N222 PolarHBondContact O-N 2.67Å; F220-N223 PolarHBondContact O-N 2.98Å; F220-S224 PolarHBondContact O-N 3.19Å; F220-F332 AromaticContact CE1-CD2 3.86Å; F220-F332 HydrophobicContact CE1-CD2 3.86Å; F220-F332 HydrophobicContact CE1-CE1 4.26Å; F220-F332 AromaticContact CE1-CE2 3.57Å; F220-F332 HydrophobicContact CE1-CE2 3.57Å; F220-F332 HydrophobicContact CE1-CG 4.35Å; F220-F332 AromaticContact CE1-CZ 3.79Å; F220-F332 HydrophobicContact CE1-CZ 3.79Å; F220-F332 HydrophobicContact CZ-CD2 4.12Å; F220-F332 HydrophobicContact CZ-CE2 4.01Å; F220-I335 HydrophobicContact CB-CD1 4.41Å; F220-I335 HydrophobicContact CD1-CD1 3.18Å; F220-I335 HydrophobicContact CE1-CD1 3.49Å; F220-I335 VanDerWaalsContact CE1-CD1 3.49Å; F220-I335 HydrophobicContact CG-CD1 3.87Å; F220-I335 HydrophobicContact CZ-CD1 4.39Å; F220-I375 HydrophobicContact CB-CG2 3.85Å; F220-I375 HydrophobicContact CD2-CB 4.33Å; F220-I375 HydrophobicContact CD2-CG1 4.43Å; F220-I375 HydrophobicContact CD2-CG2 3.88Å; F220-I375 HydrophobicContact CG-CG2 4.13Å; F220-Y378 AromaticContact CD2-CD1 3.34Å; F220-Y378 HydrophobicContact CD2-CD1 3.34Å; F220-Y378 AromaticContact CD2-CE1 3.97Å; F220-Y378 HydrophobicContact CD2-CE1 3.97Å; F220-Y378 AromaticContact CD2-CG 3.92Å; F220-Y378 HydrophobicContact CD2-CG 3.92Å; F220-Y378 AromaticContact CE2-CD1 3.42Å; F220-Y378 HydrophobicContact CE2-CD1 3.42Å; F220-Y378 VanDerWaalsContact CE2-CD1 3.42Å; F220-Y378 HydrophobicContact CE2-CD2 4.27Å; F220-Y378 HydrophobicContact CE2-CE1 4.02Å; F220-Y378 AromaticContact CE2-CG 3.56Å; F220-Y378 HydrophobicContact CE2-CG 3.56Å; F220-Y378 HydrophobicContact CG-CD1 4.32Å; F220-Y378 HydrophobicContact CZ-CD1 4.44Å; F220-L379 HydrophobicContact CB-CD2 4.39Å
221L96.4Very high95.8Very high3 Ų336.6 Ų36.62%0.01620%0.196CC..Hα-helixtrans-61.7-45.7-176.7-67.9174.5000111.1V173 V174 V217 R218 N223 S224 Y265 F332 I335V173-L221 HydrophobicContact CB-CD1 3.97Å; V173-L221 HydrophobicContact CG1-CD1 3.99Å; V174-L221 HydrophobicContact CG2-CD1 3.9Å; V217-L221 HydrophobicContact CG1-CD1 3.75Å; V217-L221 HydrophobicContact CG1-CG 4.17Å; V217-L221 VanDerWaalsContact O-CG 3.28Å; V217-L221 WeakPolarHBondContact O-CG 3.43Å; V217-L221 PolarHBondContact O-N 2.88Å; R218-L221 PolarHBondContact O-N 3.3Å; L221-N223 PolarHBondContact O-N 3.32Å; L221-N223 VanDerWaalsContact O-N 3.09Å; L221-S224 PolarHBondContact O-N 3.46Å; L221-S224 VanDerWaalsContact O-N 3.11Å; L221-Y265 HydrophobicContact CB-CE2 3.96Å; L221-Y265 HydrophobicContact CD2-CD2 3.73Å; L221-Y265 HydrophobicContact CD2-CE2 3.74Å; L221-Y265 HydrophobicContact CG-CE2 4.33Å; L221-Y265 VanDerWaalsContact O-CZ 3.31Å; L221-Y265 PolarHBondContact O-OH 3.24Å; L221-F332 HydrophobicContact CD2-CD1 4.22Å; L221-F332 HydrophobicContact CD2-CE1 3.44Å; L221-F332 VanDerWaalsContact CD2-CE1 3.44Å; L221-F332 HydrophobicContact CD2-CZ 4.06Å; L221-I335 HydrophobicContact CD2-CD1 4.09Å; L221-I335 HydrophobicContact CG-CD1 4.46Å
222N93.7Very high96Very high99 Ų9932.5 Ų32.553%0.52918%0.175SC..Hα-helixtrans-60.8-21.1-179.6-78.2-3.4000114.4R218 F220R218-N222 PolarHBondContact NH1-ND2 2.93Å; R218-N222 VanDerWaalsContact O-CB 3.3Å; R218-N222 WeakPolarHBondContact O-CB 3.46Å; R218-N222 VanDerWaalsContact O-CG 3.22Å; R218-N222 PolarHBondContact O-N 3.15Å; F220-N222 PolarHBondContact O-N 2.67Å
223N93.5Very high96.1Very high53 Ų5331 Ų3128%0.28316%0.164SC..Hα-helixtrans-108.5-3.4179.8-68.5-76.4000113.2Q219 F220 L221 Y378 L382 Y383Q219-N223 PolarHBondContact O-N 2.89Å; Q219-N223 PolarHBondContact O-ND2 2.88Å; F220-N223 PolarHBondContact O-N 2.98Å; L221-N223 PolarHBondContact O-N 3.32Å; L221-N223 VanDerWaalsContact O-N 3.09Å; N223-Y378 HydrophobicContact CB-CE1 4.46Å; N223-Y378 PolarHBondContact O-OH 3.34Å; N223-L382 HydrophobicContact CB-CD2 3.33Å; N223-Y383 PolarHBondContact ND2-OH 3.2Å
224S94.7Very high96.2Very high20 Ų2031.9 Ų31.914%0.1417%0.169CC..  trans-70.5131.5-176.2-171.60000112.4F220 L221 S226 F332F220-S224 PolarHBondContact O-N 3.19Å; L221-S224 PolarHBondContact O-N 3.46Å; L221-S224 VanDerWaalsContact O-N 3.11Å; S224-S226 VanDerWaalsContact C-N 3.27Å; S224-S226 PolarHBondContact O-N 2.62Å; S224-S226 PolarHBondContact OG-N 2.84Å; S224-F332 WeakPolarHBondContact OG-CE2 3.39Å; S224-F332 WeakPolarHBondContact OG-CZ 3.26Å
225D94.1Very high96.3Very high154 Ų15431.5 Ų31.582%0.82417%0.167SC*.  trans-84.15.9171.7-70-47.9000113.5
226S98.2Very high96.3Very high5 Ų530.6 Ų30.64%0.03516%0.163CC..SBendtrans-61.9131.5177-178.20000110S224 V228 Y265 A267 E328S224-S226 VanDerWaalsContact C-N 3.27Å; S224-S226 PolarHBondContact O-N 2.62Å; S224-S226 PolarHBondContact OG-N 2.84Å; S226-V228 PolarHBondContact O-N 3.23Å; S226-Y265 WeakPolarHBondContact O-CD1 3.23Å; S226-A267 WeakPolarHBondContact OG-CB 3.38Å; S226-A267 PolarHBondContact OG-N 3.25Å; S226-A267 VanDerWaalsContact OG-N 3.08Å; S226-E328 PolarHBondContact OG-OE1 3.4Å
227P98.3Very high96.5Very high53 Ų5331 Ų3134%0.34417%0.165SC..PPolyproline II helixtrans-59.4133.7-178.7-27.136.7000112.5V229 R266 E328P227-V229 HydrophobicContact CB-CG1 4.41Å; P227-R266 WeakPolarHBondContact O-CB 3.39Å; P227-R266 PolarHBondContact O-N 3.47Å; P227-E328 VanDerWaalsContact CD-OE1 3.29Å; P227-E328 WeakPolarHBondContact CD-OE1 3.33Å
228V98.6Very high96.4Very high59 Ų5932.2 Ų32.236%0.35818%0.177SC..EExtended strand (participates in β ladder)trans-79.8120.1172.4-177.70000109.6P170 S226 Y263 N264 Y265P170-V228 HydrophobicContact CB-CB 4.47Å; P170-V228 HydrophobicContact CB-CG1 3.9Å; P170-V228 HydrophobicContact CB-CG2 3.69Å; P170-V228 HydrophobicContact CG-CG1 4.43Å; P170-V228 HydrophobicContact CG-CG2 3.75Å; S226-V228 PolarHBondContact O-N 3.23Å; V228-Y263 HydrophobicContact CG1-CD1 4.22Å; V228-N264 WeakPolarHBondContact CA-O 3.45Å; V228-Y265 HydrophobicContact CG2-CD1 4.35Å; V228-Y265 HydrophobicContact CG2-CE1 4.24Å
229V98.7Very high96.4Very high23 Ų2329 Ų2914%0.13917%0.166CC..EExtended strand (participates in β ladder)trans-137.7168.5-176.6-61.80000110.1H160 P227 C231 Y263 N264 R266H160-V229 HydrophobicContact CB-CB 4.02Å; H160-V229 HydrophobicContact CB-CG1 4.43Å; H160-V229 HydrophobicContact CB-CG2 3.82Å; P227-V229 HydrophobicContact CB-CG1 4.41Å; V229-C231 VanDerWaalsContact CG2-SG 3.6Å; V229-C231 PolarHBondContact O-N 2.73Å; V229-Y263 VanDerWaalsContact O-CA 3.28Å; V229-Y263 WeakPolarHBondContact O-CA 3.49Å; V229-N264 PolarHBondContact N-O 3.04Å; V229-N264 PolarHBondContact O-N 3.21Å; V229-N264 VanDerWaalsContact O-O 3.06Å; V229-R266 HydrophobicContact CG2-CB 3.74Å; V229-R266 HydrophobicContact CG2-CG 4.44Å
230F98.5Very high96.6Very high0 Ų027.6 Ų27.60%016%0.159CC..EExtended strand (participates in β ladder)trans-75.8112.8171.5-177.2-106.1000109.6I107 I159 H160 L162 V164 V166 Y263I107-F230 HydrophobicContact CD1-CE2 4.1Å; I107-F230 HydrophobicContact CD1-CZ 4.08Å; I107-F230 HydrophobicContact CG1-CE2 4.25Å; I107-F230 HydrophobicContact CG1-CZ 4.04Å; I107-F230 HydrophobicContact CG2-CZ 3.82Å; I159-F230 HydrophobicContact CG2-CD1 3.84Å; I159-F230 HydrophobicContact CG2-CE1 4.18Å; H160-F230 WeakPolarHBondContact CA-O 3.09Å; H160-F230 PolarHBondContact CD2-O 3.28Å; L162-F230 HydrophobicContact CB-CD1 4.42Å; L162-F230 HydrophobicContact CD1-CD1 4.33Å; V164-F230 HydrophobicContact CB-CD2 3.96Å; V164-F230 HydrophobicContact CB-CE2 4.14Å; V164-F230 HydrophobicContact CB-CG 4.26Å; V164-F230 HydrophobicContact CG1-CD2 4.38Å; V164-F230 HydrophobicContact CG1-CE2 4.06Å; V164-F230 HydrophobicContact CG1-CZ 4.4Å; V164-F230 HydrophobicContact CG2-CB 4.27Å; V164-F230 HydrophobicContact CG2-CD1 3.72Å; V164-F230 HydrophobicContact CG2-CD2 3.8Å; V164-F230 HydrophobicContact CG2-CE1 3.95Å; V164-F230 HydrophobicContact CG2-CE2 4.03Å; V164-F230 HydrophobicContact CG2-CG 3.64Å; V164-F230 HydrophobicContact CG2-CZ 4.09Å; V166-F230 HydrophobicContact CG2-CE2 4.49Å; F230-Y263 HydrophobicContact CB-CE1 4.25Å; F230-Y263 HydrophobicContact CB-CE2 4.08Å; F230-Y263 HydrophobicContact CD2-CD2 4.15Å; F230-Y263 HydrophobicContact CD2-CE2 4.02Å; F230-Y263 HydrophobicContact CG-CE2 4.5Å
231C98.7Very high96.6Very high0 Ų028.4 Ų28.40%016%0.164CC..EExtended strand (participates in β ladder)trans-105.4152.8-174.3-64.90000111.4V229 N233 S261 S262 N264 D269V229-C231 VanDerWaalsContact CG2-SG 3.6Å; V229-C231 PolarHBondContact O-N 2.73Å; C231-N233 VanDerWaalsContact CB-OD1 3.23Å; C231-N233 WeakPolarHBondContact CB-OD1 3.31Å; C231-S261 VanDerWaalsContact O-CA 3.23Å; C231-S261 WeakPolarHBondContact O-CA 3.37Å; C231-S261 VanDerWaalsContact O-CB 3.24Å; C231-S261 WeakPolarHBondContact O-CB 3.45Å; C231-S261 PolarHBondContact O-OG 2.9Å; C231-S262 PolarHBondContact N-O 3.36Å; C231-S262 PolarHBondContact O-N 3.24Å; C231-N264 HydrophobicContact CB-CB 4.05Å; C231-D269 WeakPolarHBondContact CA-OD2 2.96Å; C231-D269 HydrophobicContact CB-CB 3.84Å
232H98.2Very high96.5Very high2 Ų228.5 Ų28.51%0.00916%0.164CC..  trans-70.9-42.3168.7-167-73.3000111.2D234 L235 I256 D257 Y258 Y260 S261 D269H232-D234 PolarHBondContact CE1-O 3.4Å; H232-D234 PolarHBondContact ND1-N 3.35Å; H232-D234 PolarHBondContact ND1-O 2.9Å; H232-D234 PolarHBondContact O-N 2.97Å; H232-L235 HydrophobicContact CB-CB 4.43Å; H232-I256 PolarHBondContact CE1-O 3.45Å; H232-I256 PolarHBondContact NE2-O 3.15Å; H232-D257 PolarHBondContact CE1-O 3.28Å; H232-D257 VanDerWaalsContact CE1-O 3.32Å; H232-Y258 AromaticContact CD2-CD1 3.7Å; H232-Y258 AromaticContact CD2-CE1 3.57Å; H232-Y258 AromaticContact CD2-CZ 3.96Å; H232-Y260 CarbonylContact O-C 3.5Å; H232-S261 WeakPolarHBondContact CA-OG 3.21Å; H232-S261 PolarHBondContact O-N 3.36Å; H232-S261 PolarHBondContact O-OG 3.18Å; H232-S261 VanDerWaalsContact O-OG 3.11Å; H232-D269 PolarHBondContact N-OD2 2.94Å
233N98.1Very high96.5Very high0 Ų024.8 Ų24.80%015%0.145CC..SBendtrans69.2-8.3-177.7-59.8-48.4000116.5Y172 C231 Y260 S262 N264 F268 D269 N272 W340Y172-N233 HydrophobicContact CE1-CB 3.99Å; C231-N233 VanDerWaalsContact CB-OD1 3.23Å; C231-N233 WeakPolarHBondContact CB-OD1 3.31Å; N233-Y260 PolarHBondContact ND2-O 3.46Å; N233-S262 PolarHBondContact ND2-N 3.11Å; N233-S262 PolarHBondContact ND2-OG 3.12Å; N233-N264 PolarHBondContact OD1-ND2 3.26Å; N233-F268 HydrophobicContact CB-CE1 4.32Å; N233-D269 WeakPolarHBondContact CA-OD1 3.2Å; N233-D269 PolarHBondContact N-OD1 3.44Å; N233-N272 PolarHBondContact O-ND2 3.1Å; N233-W340 WeakPolarHBondContact O-CZ2 3.42Å
234D97.1Very high96.4Very high20 Ų2027.5 Ų27.511%0.10716%0.156CC..  trans-14651.3-174.9-171.525.4000113H232 H236 N239 Y260 W340H232-D234 PolarHBondContact CE1-O 3.4Å; H232-D234 PolarHBondContact ND1-N 3.35Å; H232-D234 PolarHBondContact ND1-O 2.9Å; H232-D234 PolarHBondContact O-N 2.97Å; D234-H236 PolarHBondContact O-N 3.23Å; D234-H236 IonicContact OD1-CD2 2.59Å; D234-N239 PolarHBondContact O-ND2 3.42Å; D234-N239 PolarHBondContact OD2-ND2 3.1Å; D234-Y260 HydrophobicContact CB-CD2 3.72Å; D234-Y260 HydrophobicContact CB-CG 4.32Å; D234-Y260 WeakPolarHBondContact OD2-CD2 3.28Å; D234-W340 HydrophobicContact CB-CH2 4Å; D234-W340 HydrophobicContact CB-CZ2 3.86Å; D234-W340 WeakPolarHBondContact OD1-CZ2 3.09Å
235L97.5Very high95.9Very high0 Ų035.1 Ų35.10%019%0.19CC..  trans-9463.9-171.9-161.673.4000113.4I152 M156 H232 I240 F255 N272 H273I152-L235 HydrophobicContact CG2-CD2 3.93Å; M156-L235 HydrophobicContact CE-CD2 3.52Å; H232-L235 HydrophobicContact CB-CB 4.43Å; L235-I240 HydrophobicContact CD1-CD1 4.35Å; L235-I240 HydrophobicContact CD1-CG1 3.86Å; L235-I240 HydrophobicContact CD2-CD1 4.37Å; L235-I240 HydrophobicContact CG-CD1 4Å; L235-I240 HydrophobicContact CG-CG1 4.05Å; L235-F255 HydrophobicContact CD1-CB 4.19Å; L235-F255 HydrophobicContact CD1-CD1 3.79Å; L235-F255 HydrophobicContact CD1-CD2 3.65Å; L235-F255 HydrophobicContact CD1-CE1 4.03Å; L235-F255 HydrophobicContact CD1-CE2 3.89Å; L235-F255 HydrophobicContact CD1-CG 3.61Å; L235-F255 HydrophobicContact CD1-CZ 4.09Å; L235-F255 HydrophobicContact CD2-CD2 4.22Å; L235-F255 HydrophobicContact CD2-CE1 4.03Å; L235-F255 HydrophobicContact CD2-CE2 3.57Å; L235-F255 HydrophobicContact CD2-CZ 3.48Å; L235-F255 VanDerWaalsContact CD2-CZ 3.48Å; L235-F255 HydrophobicContact CG-CE2 4.4Å; L235-F255 HydrophobicContact CG-CZ 4.39Å; L235-N272 PolarHBondContact N-ND2 3.36Å; L235-H273 PolarHBondContact O-ND1 3.21Å
236H96.2Very high95.4Very high39 Ų3928.4 Ų28.418%0.18116%0.155CC..  trans-83.9169.1169.777.795.7000112D234 G238 N239 E276 Y281D234-H236 PolarHBondContact O-N 3.23Å; D234-H236 IonicContact OD1-CD2 2.59Å; H236-G238 PolarHBondContact ND1-N 3.02Å; H236-G238 VanDerWaalsContact ND1-N 3.14Å; H236-G238 PolarHBondContact O-N 2.89Å; H236-G238 VanDerWaalsContact O-N 3.13Å; H236-N239 PolarHBondContact CD2-ND2 3.28Å; H236-N239 VanDerWaalsContact CD2-ND2 3.32Å; H236-N239 PolarHBondContact NE2-ND2 3.46Å; H236-N239 PolarHBondContact O-N 3.49Å; H236-E276 HydrophobicContact CB-CB 4.01Å; H236-E276 HydrophobicContact CB-CG 3.6Å; H236-E276 WeakPolarHBondContact CB-OE2 3.39Å; H236-Y281 HydrophobicContact CB-CE2 4.38Å
237Q95.8Very high94.4Very high10 Ų1033 Ų335%0.04718%0.176CC..G310 helixtrans-54.5-33.2-175.978.6-72.641.200114.3L138 L143 N239 I240L138-Q237 HydrophobicContact CB-CB 4.29Å; L138-Q237 PolarHBondContact N-O 3.46Å; L138-Q237 WeakPolarHBondContact O-CB 3.16Å; L138-Q237 VanDerWaalsContact O-CG 3.31Å; L138-Q237 WeakPolarHBondContact O-CG 3.27Å; L143-Q237 HydrophobicContact CD1-CB 4.04Å; L143-Q237 HydrophobicContact CD2-CB 4.18Å; L143-Q237 HydrophobicContact CG-CB 4.15Å; Q237-N239 VanDerWaalsContact C-N 3.29Å; Q237-N239 PolarHBondContact O-N 2.84Å; Q237-I240 PolarHBondContact O-N 3.1Å
238G93.9Very high93Very high25 Ų2537.3 Ų37.326%0.25820%0.196SC..G310 helixtrans-68.5-26.517900000113.7H236 I240H236-G238 PolarHBondContact ND1-N 3.02Å; H236-G238 VanDerWaalsContact ND1-N 3.14Å; H236-G238 PolarHBondContact O-N 2.89Å; H236-G238 VanDerWaalsContact O-N 3.13Å; G238-I240 VanDerWaalsContact C-N 3.33Å
239N96.1Very high91.6Very high9 Ų942.3 Ų42.35%0.04821%0.208CC..G310 helixtrans-92.48.2179.2-71.7-16.3000113.1D234 H236 Q237 F255 I256D234-N239 PolarHBondContact O-ND2 3.42Å; D234-N239 PolarHBondContact OD2-ND2 3.1Å; H236-N239 PolarHBondContact CD2-ND2 3.28Å; H236-N239 VanDerWaalsContact CD2-ND2 3.32Å; H236-N239 PolarHBondContact NE2-ND2 3.46Å; H236-N239 PolarHBondContact O-N 3.49Å; Q237-N239 VanDerWaalsContact C-N 3.29Å; Q237-N239 PolarHBondContact O-N 2.84Å; N239-F255 WeakPolarHBondContact O-CA 3.36Å; N239-I256 WeakPolarHBondContact O-CG1 3.19Å; N239-I256 PolarHBondContact O-N 2.83Å
240I97.1Very high90.3Very high0 Ų041.5 Ų41.50%020%0.204CC..EExtended strand (participates in β ladder)trans-119.7110.4176.9-51.7172.1000108.9P137 L138 L143 I152 L235 Q237 G238 V253 F255P137-I240 CarbonylContact C-O 3.53Å; P137-I240 WeakPolarHBondContact CA-O 3.48Å; L138-I240 HydrophobicContact CD1-CB 3.89Å; L138-I240 HydrophobicContact CD1-CD1 4.35Å; L138-I240 HydrophobicContact CD1-CG2 3.47Å; L138-I240 VanDerWaalsContact CD1-CG2 3.47Å; L138-I240 HydrophobicContact CG-CB 4.18Å; L138-I240 HydrophobicContact CG-CG2 3.97Å; L138-I240 PolarHBondContact N-O 3.16Å; L143-I240 HydrophobicContact CD2-CD1 4.07Å; I152-I240 HydrophobicContact CD1-CD1 3.72Å; I152-I240 HydrophobicContact CG1-CD1 4.12Å; I152-I240 HydrophobicContact CG1-CG2 4.44Å; I152-I240 HydrophobicContact CG2-CD1 4.33Å; L235-I240 HydrophobicContact CD1-CD1 4.35Å; L235-I240 HydrophobicContact CD1-CG1 3.86Å; L235-I240 HydrophobicContact CD2-CD1 4.37Å; L235-I240 HydrophobicContact CG-CD1 4Å; L235-I240 HydrophobicContact CG-CG1 4.05Å; Q237-I240 PolarHBondContact O-N 3.1Å; G238-I240 VanDerWaalsContact C-N 3.33Å; I240-V253 HydrophobicContact CG2-CB 3.84Å; I240-V253 HydrophobicContact CG2-CG1 4.15Å; I240-V253 HydrophobicContact CG2-CG2 4.3Å; I240-F255 HydrophobicContact CD1-CE1 4.44Å; I240-F255 HydrophobicContact CG1-CD1 4.1Å; I240-F255 HydrophobicContact CG1-CE1 4.15Å; I240-F255 HydrophobicContact CG2-CD1 4.15Å; I240-F255 HydrophobicContact CG2-CE1 4.14Å
241L95.3Very high89.4Confident23 Ų2346.4 Ų46.412%0.1223%0.225CC..EExtended strand (participates in β ladder)trans-88.5137176.2-59.3179.9000111S135 R136 P243 V253 V254 I256S135-L241 WeakPolarHBondContact OG-CD1 3.41Å; R136-L241 WeakPolarHBondContact O-CA 3.21Å; L241-P243 WeakPolarHBondContact O-CD 3.49Å; L241-V253 WeakPolarHBondContact O-CA 3.13Å; L241-V254 HydrophobicContact CB-CB 4.31Å; L241-V254 PolarHBondContact N-O 3.4Å; L241-V254 PolarHBondContact O-N 3Å; L241-I256 HydrophobicContact CD1-CD1 4Å; L241-I256 HydrophobicContact CD1-CG1 4.41Å; L241-I256 HydrophobicContact CD1-CG2 3.56Å; L241-I256 HydrophobicContact CD2-CD1 3.91Å; L241-I256 HydrophobicContact CG-CD1 3.88Å; L241-I256 HydrophobicContact CG-CG1 4.16Å; L241-I256 HydrophobicContact CG-CG2 4.06Å
242L94.7Very high88.9Confident5 Ų549 Ų493%0.02624%0.239CC..EExtended strand (participates in β ladder)trans-102.8104.7166.3-176.863.8000109.1S135 R136 L138 Q247S135-L242 WeakPolarHBondContact CA-O 3.4Å; S135-L242 WeakPolarHBondContact CB-O 3.45Å; R136-L242 PolarHBondContact N-O 2.96Å; R136-L242 PolarHBondContact O-N 3.1Å; L138-L242 HydrophobicContact CD2-CB 3.83Å; L138-L242 HydrophobicContact CD2-CD2 4.25Å; L242-Q247 HydrophobicContact CD2-CG 4.12Å; L242-Q247 HydrophobicContact CG-CG 4.26Å
243P93.8Very high88.7Confident21 Ų2149 Ų4914%0.13624%0.239CC..EExtended strand (participates in β ladder)trans-58.9142.5175.8-24.234.8000111.8I133 R134 L241 E245 S246 Q247 V254I133-P243 HydrophobicContact CG2-CG 4.38Å; R134-P243 WeakPolarHBondContact O-CA 3.29Å; L241-P243 WeakPolarHBondContact O-CD 3.49Å; P243-E245 VanDerWaalsContact C-N 3.25Å; P243-E245 PolarHBondContact O-N 3.15Å; P243-S246 WeakPolarHBondContact O-CA 3.41Å; P243-S246 WeakPolarHBondContact O-CB 3.41Å; P243-S246 PolarHBondContact O-N 2.93Å; P243-Q247 PolarHBondContact O-N 3.19Å; P243-V254 HydrophobicContact CG-CG2 3.95Å
244E90.4Very high88.6Confident109 Ų10949.9 Ų49.951%0.50924%0.244SC..G310 helixtrans-53.3-43.1179.7-73.9177.1173.800112R134 S246 Q247R134-E244 HydrophobicContact CB-CG 4.46Å; R134-E244 PolarHBondContact O-N 3.43Å; E244-S246 PolarHBondContact O-N 2.72Å; E244-S246 VanDerWaalsContact O-N 3.13Å; E244-Q247 WeakPolarHBondContact O-CB 3.39Å; E244-Q247 WeakPolarHBondContact O-CG 3.49Å; E244-Q247 PolarHBondContact O-N 2.86Å; E244-Q247 VanDerWaalsContact O-N 3.11Å
245E84.7Confident88.6Confident180 Ų18049 Ų4984%0.84124%0.24SC*.G310 helixtrans-64.5-18.1178.6-60.2179.6-165.300113.8P243P243-E245 VanDerWaalsContact C-N 3.25Å; P243-E245 PolarHBondContact O-N 3.15Å
246S82.9Confident88.5Confident14 Ų1450.6 Ų50.610%0.09825%0.248CC..G310 helixtrans-98.3-3.8178.5-72.40000113.4P243 E244 D248 R249 C250 D252P243-S246 WeakPolarHBondContact O-CA 3.41Å; P243-S246 WeakPolarHBondContact O-CB 3.41Å; P243-S246 PolarHBondContact O-N 2.93Å; E244-S246 PolarHBondContact O-N 2.72Å; E244-S246 VanDerWaalsContact O-N 3.13Å; S246-D248 PolarHBondContact O-N 3.38Å; S246-R249 PolarHBondContact O-N 3.44Å; S246-C250 WeakPolarHBondContact O-CA 3.37Å; S246-C250 PolarHBondContact O-N 2.98Å; S246-D252 PolarHBondContact OG-N 3.08Å
247Q77.3Confident88.3Confident100 Ų10050.4 Ų50.447%0.46725%0.248SC..THydrogen-bonded Turntrans-62.2-42.1-173.1-73179.4-2.200113.9L242 P243 E244 R249L242-Q247 HydrophobicContact CD2-CG 4.12Å; L242-Q247 HydrophobicContact CG-CG 4.26Å; P243-Q247 PolarHBondContact O-N 3.19Å; E244-Q247 WeakPolarHBondContact O-CB 3.39Å; E244-Q247 WeakPolarHBondContact O-CG 3.49Å; E244-Q247 PolarHBondContact O-N 2.86Å; E244-Q247 VanDerWaalsContact O-N 3.11Å; Q247-R249 PolarHBondContact O-N 3.21Å
248D70.2Confident88.1Confident145 Ų14550.6 Ų50.678%0.77525%0.249SC*.THydrogen-bonded Turntrans-65.7-23.4-175.6-178.146.2000113.5S246S246-D248 PolarHBondContact O-N 3.38Å
249R67.8Low87.9Confident163 Ų16351.4 Ų51.462%0.61525%0.246SC*.THydrogen-bonded Turntrans-139.14-174.3-73.8-172.2-78.8-176.2-7.8115.8S246 Q247 K251S246-R249 PolarHBondContact O-N 3.44Å; Q247-R249 PolarHBondContact O-N 3.21Å; R249-K251 VanDerWaalsContact C-N 3.28Å; R249-K251 HydrophobicContact CB-CG 3.96Å; R249-K251 VanDerWaalsContact NH2-CE 3.35Å; R249-K251 PolarHBondContact O-N 3.33Å
250C73.1Confident87.7Confident6 Ų652.4 Ų52.44%0.04125%0.249CC..THydrogen-bonded Turntrans37.560.3-166.1-166.30000111.6I148 R151 S246 D252I148-C250 HydrophobicContact CG1-CB 4.2Å; R151-C250 PolarHBondContact NE-O 2.75Å; S246-C250 WeakPolarHBondContact O-CA 3.37Å; S246-C250 PolarHBondContact O-N 2.98Å; C250-D252 VanDerWaalsContact C-N 3.35Å
251K77.8Confident87.7Confident103 Ų10352.9 Ų52.945%0.44825%0.253SS..  trans-68.7-38.5-176.3-71-174.7-178.1173.10111.7R151 R249R151-K251 PolarHBondContact NE-O 3.25Å; R249-K251 VanDerWaalsContact C-N 3.28Å; R249-K251 HydrophobicContact CB-CG 3.96Å; R249-K251 VanDerWaalsContact NH2-CE 3.35Å; R249-K251 PolarHBondContact O-N 3.33Å
252D88.1Confident87.7Confident56 Ų5652.7 Ų52.730%0.29925%0.253SS..  trans-148.5161.4178.1-157.413.9000111.2K155 S246 C250K155-D252 WeakPolarHBondContact CE-OD1 3.3Å; K155-D252 VanDerWaalsContact NZ-CG 3.29Å; K155-D252 IonicContact NZ-OD1 2.85Å; K155-D252 PolarHBondContact NZ-OD1 3.08Å; K155-D252 IonicContact NZ-OD2 3.49Å; K155-D252 PolarHBondContact NZ-OD2 2.99Å; S246-D252 PolarHBondContact OG-N 3.08Å; C250-D252 VanDerWaalsContact C-N 3.35Å
253V95.4Very high87.9Confident0 Ų053.3 Ų53.30%026%0.255CS..  trans-127.3153.6170.3-65.30000108.8I152 K155 I240 L241 F255I152-V253 HydrophobicContact CG1-CG2 4.29Å; K155-V253 HydrophobicContact CB-CG2 4.14Å; K155-V253 WeakPolarHBondContact CE-O 3.49Å; K155-V253 HydrophobicContact CG-CG2 4.43Å; K155-V253 PolarHBondContact NZ-O 3.1Å; I240-V253 HydrophobicContact CG2-CB 3.84Å; I240-V253 HydrophobicContact CG2-CG1 4.15Å; I240-V253 HydrophobicContact CG2-CG2 4.3Å; L241-V253 WeakPolarHBondContact O-CA 3.13Å; V253-F255 HydrophobicContact CG2-CD1 4.42Å; V253-F255 HydrophobicContact CG2-CE1 3.88Å
254V95.6Very high88.1Confident19 Ų1952.3 Ų52.312%0.11525%0.248CC..EExtended strand (participates in β ladder)trans-121119.7177.8-179.10000109I133 L241 P243 I256I133-V254 HydrophobicContact CD1-CB 4.29Å; I133-V254 HydrophobicContact CD1-CG1 3.65Å; I133-V254 HydrophobicContact CD1-CG2 4.35Å; L241-V254 HydrophobicContact CB-CB 4.31Å; L241-V254 PolarHBondContact N-O 3.4Å; L241-V254 PolarHBondContact O-N 3Å; P243-V254 HydrophobicContact CG-CG2 3.95Å; V254-I256 HydrophobicContact CG1-CG2 4.41Å
255F97.4Very high88.5Confident2 Ų247.9 Ų47.91%0.00923%0.227CC..EExtended strand (participates in β ladder)trans-80.5143.6173.3-63-6.3000109.5I152 K155 M156 I159 L235 N239 I240 V253 Y258I152-F255 HydrophobicContact CB-CZ 4.48Å; I152-F255 HydrophobicContact CG1-CE1 4.49Å; I152-F255 HydrophobicContact CG2-CE1 4.13Å; I152-F255 HydrophobicContact CG2-CZ 3.8Å; K155-F255 HydrophobicContact CB-CE1 4.01Å; K155-F255 HydrophobicContact CB-CE2 4Å; K155-F255 HydrophobicContact CB-CZ 3.62Å; K155-F255 HydrophobicContact CG-CD1 4.04Å; K155-F255 HydrophobicContact CG-CD2 3.9Å; K155-F255 HydrophobicContact CG-CE1 3.85Å; K155-F255 HydrophobicContact CG-CE2 3.72Å; K155-F255 HydrophobicContact CG-CG 4.05Å; K155-F255 HydrophobicContact CG-CZ 3.68Å; M156-F255 HydrophobicContact CB-CE2 4.14Å; M156-F255 HydrophobicContact CB-CZ 4.44Å; I159-F255 HydrophobicContact CG1-CD2 4.18Å; L235-F255 HydrophobicContact CD1-CB 4.19Å; L235-F255 HydrophobicContact CD1-CD1 3.79Å; L235-F255 HydrophobicContact CD1-CD2 3.65Å; L235-F255 HydrophobicContact CD1-CE1 4.03Å; L235-F255 HydrophobicContact CD1-CE2 3.89Å; L235-F255 HydrophobicContact CD1-CG 3.61Å; L235-F255 HydrophobicContact CD1-CZ 4.09Å; L235-F255 HydrophobicContact CD2-CD2 4.22Å; L235-F255 HydrophobicContact CD2-CE1 4.03Å; L235-F255 HydrophobicContact CD2-CE2 3.57Å; L235-F255 HydrophobicContact CD2-CZ 3.48Å; L235-F255 VanDerWaalsContact CD2-CZ 3.48Å; L235-F255 HydrophobicContact CG-CE2 4.4Å; L235-F255 HydrophobicContact CG-CZ 4.39Å; N239-F255 WeakPolarHBondContact O-CA 3.36Å; I240-F255 HydrophobicContact CD1-CE1 4.44Å; I240-F255 HydrophobicContact CG1-CD1 4.1Å; I240-F255 HydrophobicContact CG1-CE1 4.15Å; I240-F255 HydrophobicContact CG2-CD1 4.15Å; I240-F255 HydrophobicContact CG2-CE1 4.14Å; V253-F255 HydrophobicContact CG2-CD1 4.42Å; V253-F255 HydrophobicContact CG2-CE1 3.88Å; F255-Y258 HydrophobicContact CB-CE2 4.24Å; F255-Y258 WeakPolarHBondContact CB-OH 3.46Å; F255-Y258 WeakPolarHBondContact O-CE2 3.09Å
256I94.6Very high89.2Confident34 Ų3440.3 Ų40.317%0.17419%0.191CC..  trans-137.1169.9178.858.9163.4000109.9P118 H232 N239 L241 V254P118-I256 HydrophobicContact CG-CG2 3.96Å; H232-I256 PolarHBondContact CE1-O 3.45Å; H232-I256 PolarHBondContact NE2-O 3.15Å; N239-I256 WeakPolarHBondContact O-CG1 3.19Å; N239-I256 PolarHBondContact O-N 2.83Å; L241-I256 HydrophobicContact CD1-CD1 4Å; L241-I256 HydrophobicContact CD1-CG1 4.41Å; L241-I256 HydrophobicContact CD1-CG2 3.56Å; L241-I256 HydrophobicContact CD2-CD1 3.91Å; L241-I256 HydrophobicContact CG-CD1 3.88Å; L241-I256 HydrophobicContact CG-CG1 4.16Å; L241-I256 HydrophobicContact CG-CG2 4.06Å; V254-I256 HydrophobicContact CG1-CG2 4.41Å
257D91.7Very high89.9Confident34 Ų3439.6 Ų39.618%0.18219%0.186CC..  trans64.159.6176.1-134.7-4.6000115.5H232 E259H232-D257 PolarHBondContact CE1-O 3.28Å; H232-D257 VanDerWaalsContact CE1-O 3.32Å; D257-E259 PolarHBondContact O-N 3.29Å
258Y93.1Very high91Very high15 Ų1534.9 Ų34.96%0.05916%0.164CC..G310 helixtrans-78.528.6179.3-68.2-99.6000113.7L111 L116 I159 H232 F255 Y260 S261L111-Y258 HydrophobicContact CD1-CD1 3.52Å; L111-Y258 HydrophobicContact CD1-CD2 3.5Å; L111-Y258 HydrophobicContact CD1-CE1 3.65Å; L111-Y258 HydrophobicContact CD1-CE2 3.62Å; L111-Y258 HydrophobicContact CD1-CG 3.44Å; L111-Y258 VanDerWaalsContact CD1-CG 3.44Å; L111-Y258 HydrophobicContact CD2-CE1 4.02Å; L116-Y258 PolarHBondContact O-OH 2.96Å; I159-Y258 HydrophobicContact CD1-CE1 4.29Å; I159-Y258 WeakPolarHBondContact CD1-OH 3.33Å; I159-Y258 HydrophobicContact CG2-CE1 4.31Å; H232-Y258 AromaticContact CD2-CD1 3.7Å; H232-Y258 AromaticContact CD2-CE1 3.57Å; H232-Y258 AromaticContact CD2-CZ 3.96Å; F255-Y258 HydrophobicContact CB-CE2 4.24Å; F255-Y258 WeakPolarHBondContact CB-OH 3.46Å; F255-Y258 WeakPolarHBondContact O-CE2 3.09Å; Y258-Y260 VanDerWaalsContact C-N 3.26Å; Y258-Y260 PolarHBondContact O-N 2.99Å; Y258-S261 VanDerWaalsContact CA-OG 3.28Å; Y258-S261 WeakPolarHBondContact CA-OG 3.08Å; Y258-S261 VanDerWaalsContact CB-OG 3.3Å; Y258-S261 WeakPolarHBondContact CB-OG 3.48Å; Y258-S261 VanDerWaalsContact CD1-OG 3.26Å; Y258-S261 WeakPolarHBondContact CD1-OG 3.45Å; Y258-S261 WeakPolarHBondContact O-CB 3.5Å; Y258-S261 PolarHBondContact O-N 2.64Å; Y258-S261 PolarHBondContact O-OG 2.88Å
259E89.2Confident92.3Very high42 Ų4228 Ų2820%0.19613%0.128CC..G310 helixtrans-68.7-26.2-17571.2171.214300113.4D257D257-E259 PolarHBondContact O-N 3.29Å
260Y92.6Very high93.8Very high29 Ų2920.3 Ų20.311%0.11410%0.098CC..G310 helixtrans-95.31.2176.6-69.2-63.9000113.2Y172 W180 H232 N233 D234 Y258 W340 W343Y172-Y260 VanDerWaalsContact CZ-O 3.32Å; Y172-Y260 VanDerWaalsContact OH-CB 3.31Å; Y172-Y260 WeakPolarHBondContact OH-CB 3.48Å; Y172-Y260 WeakPolarHBondContact OH-CD1 3.42Å; Y172-Y260 PolarHBondContact OH-O 3.28Å; W180-Y260 HydrophobicContact CZ2-CE1 4.07Å; H232-Y260 CarbonylContact O-C 3.5Å; N233-Y260 PolarHBondContact ND2-O 3.46Å; D234-Y260 HydrophobicContact CB-CD2 3.72Å; D234-Y260 HydrophobicContact CB-CG 4.32Å; D234-Y260 WeakPolarHBondContact OD2-CD2 3.28Å; Y258-Y260 VanDerWaalsContact C-N 3.26Å; Y258-Y260 PolarHBondContact O-N 2.99Å; Y260-W340 AromaticContact CD2-CH2 3.96Å; Y260-W340 HydrophobicContact CD2-CH2 3.96Å; Y260-W340 AromaticContact CE2-CH2 3.93Å; Y260-W340 HydrophobicContact CE2-CH2 3.93Å; Y260-W340 HydrophobicContact CE2-CZ3 4.26Å; Y260-W340 HydrophobicContact CG-CH2 4.31Å; Y260-W343 PolarHBondContact OH-NE1 2.75Å; Y260-W343 VanDerWaalsContact OH-NE1 3.15Å
261S95.7Very high95Very high11 Ų1120 Ų208%0.07710%0.096CC..  trans-72.9133.7-172.4-57.70000113.1C231 H232 Y258C231-S261 VanDerWaalsContact O-CA 3.23Å; C231-S261 WeakPolarHBondContact O-CA 3.37Å; C231-S261 VanDerWaalsContact O-CB 3.24Å; C231-S261 WeakPolarHBondContact O-CB 3.45Å; C231-S261 PolarHBondContact O-OG 2.9Å; H232-S261 WeakPolarHBondContact CA-OG 3.21Å; H232-S261 PolarHBondContact O-N 3.36Å; H232-S261 PolarHBondContact O-OG 3.18Å; H232-S261 VanDerWaalsContact O-OG 3.11Å; Y258-S261 VanDerWaalsContact CA-OG 3.28Å; Y258-S261 WeakPolarHBondContact CA-OG 3.08Å; Y258-S261 VanDerWaalsContact CB-OG 3.3Å; Y258-S261 WeakPolarHBondContact CB-OG 3.48Å; Y258-S261 VanDerWaalsContact CD1-OG 3.26Å; Y258-S261 WeakPolarHBondContact CD1-OG 3.45Å; Y258-S261 WeakPolarHBondContact O-CB 3.5Å; Y258-S261 PolarHBondContact O-N 2.64Å; Y258-S261 PolarHBondContact O-OG 2.88Å
262S96.4Very high96Very high18 Ų1815.1 Ų15.113%0.1268%0.075CC..EExtended strand (participates in β ladder)trans-160.3172.6-175.365.60000109.8Y172 C231 N233 N264Y172-S262 VanDerWaalsContact CB-OG 3.31Å; Y172-S262 WeakPolarHBondContact CB-OG 3.44Å; Y172-S262 WeakPolarHBondContact CD1-OG 3.49Å; Y172-S262 WeakPolarHBondContact CD2-OG 3.39Å; C231-S262 PolarHBondContact N-O 3.36Å; C231-S262 PolarHBondContact O-N 3.24Å; N233-S262 PolarHBondContact ND2-N 3.11Å; N233-S262 PolarHBondContact ND2-OG 3.12Å; S262-N264 PolarHBondContact O-N 3.09Å
263Y98.3Very high96.6Very high18 Ų1812.4 Ų12.47%0.0716%0.061CC..EExtended strand (participates in β ladder)trans-72.2126.1163.1-81.6-98.7000109.3L162 S163 V164 V166 S167 K168 V228 V229 F230L162-Y263 PolarHBondContact O-OH 3.43Å; S163-Y263 WeakPolarHBondContact CA-OH 3.5Å; V164-Y263 HydrophobicContact CB-CE2 4.21Å; V164-Y263 PolarHBondContact N-OH 3.49Å; V166-Y263 HydrophobicContact CG2-CD2 3.82Å; V166-Y263 HydrophobicContact CG2-CE2 3.98Å; S167-Y263 WeakPolarHBondContact O-CB 3.33Å; S167-Y263 WeakPolarHBondContact O-CD2 3.5Å; K168-Y263 HydrophobicContact CD-CD1 3.75Å; K168-Y263 HydrophobicContact CD-CD2 3.87Å; K168-Y263 HydrophobicContact CD-CE1 3.51Å; K168-Y263 HydrophobicContact CD-CE2 3.65Å; K168-Y263 HydrophobicContact CD-CG 3.93Å; K168-Y263 VanDerWaalsContact CD-CZ 3.45Å; K168-Y263 VanDerWaalsContact CE-CE2 3.42Å; K168-Y263 WeakPolarHBondContact CE-OH 3.43Å; V228-Y263 HydrophobicContact CG1-CD1 4.22Å; V229-Y263 VanDerWaalsContact O-CA 3.28Å; V229-Y263 WeakPolarHBondContact O-CA 3.49Å; F230-Y263 HydrophobicContact CB-CE1 4.25Å; F230-Y263 HydrophobicContact CB-CE2 4.08Å; F230-Y263 HydrophobicContact CD2-CD2 4.15Å; F230-Y263 HydrophobicContact CD2-CE2 4.02Å; F230-Y263 HydrophobicContact CG-CE2 4.5Å
264N98.5Very high96.7Very high0 Ų012.4 Ų12.40%06%0.061CC..EExtended strand (participates in β ladder)trans-151.5174.6-178.3-162.86.7000109.3V173 V228 V229 C231 N233 S262 R266 F268V173-N264 WeakPolarHBondContact CG2-ND2 3.39Å; V228-N264 WeakPolarHBondContact CA-O 3.45Å; V229-N264 PolarHBondContact N-O 3.04Å; V229-N264 PolarHBondContact O-N 3.21Å; V229-N264 VanDerWaalsContact O-O 3.06Å; C231-N264 HydrophobicContact CB-CB 4.05Å; N233-N264 PolarHBondContact OD1-ND2 3.26Å; S262-N264 PolarHBondContact O-N 3.09Å; N264-R266 PolarHBondContact O-N 3.2Å; N264-F268 WeakPolarHBondContact ND2-CD1 3.43Å; N264-F268 WeakPolarHBondContact ND2-CG 3.3Å
265Y98.7Very high96.9Very high17 Ų1711.6 Ų11.67%0.0676%0.055CC..EExtended strand (participates in β ladder)trans-65.1129.6174.3-60.4-84.2000110.2P170 L221 S226 V228 A267 F268 F332P170-Y265 HydrophobicContact CB-CD2 4.2Å; P170-Y265 HydrophobicContact CB-CE1 4.37Å; P170-Y265 HydrophobicContact CB-CE2 3.67Å; P170-Y265 HydrophobicContact CG-CE1 4.46Å; P170-Y265 HydrophobicContact CG-CE2 4.22Å; P170-Y265 WeakPolarHBondContact CG-OH 3.44Å; L221-Y265 HydrophobicContact CB-CE2 3.96Å; L221-Y265 HydrophobicContact CD2-CD2 3.73Å; L221-Y265 HydrophobicContact CD2-CE2 3.74Å; L221-Y265 HydrophobicContact CG-CE2 4.33Å; L221-Y265 VanDerWaalsContact O-CZ 3.31Å; L221-Y265 PolarHBondContact O-OH 3.24Å; S226-Y265 WeakPolarHBondContact O-CD1 3.23Å; V228-Y265 HydrophobicContact CG2-CD1 4.35Å; V228-Y265 HydrophobicContact CG2-CE1 4.24Å; Y265-A267 PolarHBondContact O-N 2.91Å; Y265-F268 VanDerWaalsContact O-CB 3.26Å; Y265-F268 WeakPolarHBondContact O-CB 3.37Å; Y265-F268 PolarHBondContact O-N 2.94Å; Y265-F332 VanDerWaalsContact CB-CE1 3.42Å; Y265-F332 HydrophobicContact CD1-CZ 4.02Å; Y265-F332 AromaticContact CD2-CE1 3.87Å; Y265-F332 HydrophobicContact CD2-CE1 3.87Å; Y265-F332 HydrophobicContact CD2-CZ 4.17Å; Y265-F332 AromaticContact CG-CE1 3.68Å; Y265-F332 HydrophobicContact CG-CE1 3.68Å; Y265-F332 AromaticContact CG-CZ 3.62Å; Y265-F332 HydrophobicContact CG-CZ 3.62Å
266R98.7Very high96.9Very high20 Ų2011.6 Ų11.68%0.0756%0.056CC..Hα-helixtrans-50.5-43175.5171.2178.367.5-176.13.7111.7P227 V229 N264 F268 D269 I270 Y309 E328P227-R266 WeakPolarHBondContact O-CB 3.39Å; P227-R266 PolarHBondContact O-N 3.47Å; V229-R266 HydrophobicContact CG2-CB 3.74Å; V229-R266 HydrophobicContact CG2-CG 4.44Å; N264-R266 PolarHBondContact O-N 3.2Å; R266-F268 VanDerWaalsContact C-N 3.25Å; R266-F268 PolarHBondContact O-N 3.34Å; R266-D269 PolarHBondContact O-N 3.3Å; R266-I270 HydrophobicContact CG-CD1 3.8Å; R266-I270 WeakPolarHBondContact O-CG1 3.21Å; R266-I270 PolarHBondContact O-N 2.83Å; R266-Y309 VanDerWaalsContact CD-OH 3.24Å; R266-Y309 WeakPolarHBondContact CD-OH 3.48Å; R266-E328 IonicContact CZ-OE1 2.78Å; R266-E328 IonicContact CZ-OE2 3.54Å; R266-E328 IonicContact NE-OE1 3.57Å; R266-E328 PolarHBondContact NE-OE1 3.37Å; R266-E328 IonicContact NE-OE2 2.76Å; R266-E328 VanDerWaalsContact NH2-CD 3.28Å; R266-E328 IonicContact NH2-OE1 3.37Å; R266-E328 PolarHBondContact NH2-OE1 3.43Å; R266-E328 VanDerWaalsContact NH2-OE1 3.17Å; R266-E328 IonicContact NH2-OE2 3.48Å; R266-E328 PolarHBondContact NH2-OE2 2.9Å
267A98.8Very high97.1Very high0 Ų010.2 Ų10.20%05%0.048CC..Hα-helixtrans-64.7-29.2-17900000113.1S226 Y265 A271 E328 V329 F332S226-A267 WeakPolarHBondContact OG-CB 3.38Å; S226-A267 PolarHBondContact OG-N 3.25Å; S226-A267 VanDerWaalsContact OG-N 3.08Å; Y265-A267 PolarHBondContact O-N 2.91Å; A267-A271 WeakPolarHBondContact O-CB 3.28Å; A267-A271 PolarHBondContact O-N 2.86Å; A267-E328 HydrophobicContact CB-CG 3.94Å; A267-E328 WeakPolarHBondContact CB-O 3.48Å; A267-V329 HydrophobicContact CB-CG2 4.25Å; A267-F332 HydrophobicContact CB-CB 4.32Å; A267-F332 HydrophobicContact CB-CD1 4.42Å; A267-F332 HydrophobicContact CB-CD2 3.31Å; A267-F332 HydrophobicContact CB-CE2 3.57Å; A267-F332 HydrophobicContact CB-CG 3.77Å; A267-F332 HydrophobicContact CB-CZ 4.24Å
268F98.8Very high97.4Very high0 Ų09 Ų90%04%0.042CC..Hα-helixtrans-61.5-48.6173.4-176-82.4000110.9V173 N233 N264 Y265 R266 I270 A271 N272 F332 I335 T336 F339V173-F268 HydrophobicContact CB-CE2 4.46Å; V173-F268 HydrophobicContact CG1-CE2 4.02Å; V173-F268 HydrophobicContact CG2-CD2 3.68Å; V173-F268 HydrophobicContact CG2-CE2 3.52Å; V173-F268 HydrophobicContact CG2-CG 4.29Å; V173-F268 HydrophobicContact CG2-CZ 4.01Å; N233-F268 HydrophobicContact CB-CE1 4.32Å; N264-F268 WeakPolarHBondContact ND2-CD1 3.43Å; N264-F268 WeakPolarHBondContact ND2-CG 3.3Å; Y265-F268 VanDerWaalsContact O-CB 3.26Å; Y265-F268 WeakPolarHBondContact O-CB 3.37Å; Y265-F268 PolarHBondContact O-N 2.94Å; R266-F268 VanDerWaalsContact C-N 3.25Å; R266-F268 PolarHBondContact O-N 3.34Å; F268-I270 VanDerWaalsContact C-N 3.34Å; F268-I270 PolarHBondContact O-N 3.44Å; F268-A271 PolarHBondContact O-N 2.78Å; F268-N272 VanDerWaalsContact O-CB 3.28Å; F268-N272 WeakPolarHBondContact O-CB 3.48Å; F268-N272 PolarHBondContact O-N 3.47Å; F268-F332 HydrophobicContact CB-CD1 3.67Å; F268-F332 HydrophobicContact CB-CE1 4.08Å; F268-F332 HydrophobicContact CD2-CD1 4.21Å; F268-F332 HydrophobicContact CG-CD1 4.45Å; F268-I335 HydrophobicContact CD2-CG2 4.15Å; F268-I335 HydrophobicContact CE2-CG2 4.08Å; F268-T336 HydrophobicContact CD1-CG2 4.35Å; F268-T336 HydrophobicContact CD2-CG2 3.79Å; F268-T336 HydrophobicContact CE1-CG2 4.33Å; F268-T336 HydrophobicContact CE2-CG2 3.77Å; F268-T336 HydrophobicContact CG-CG2 4.09Å; F268-T336 HydrophobicContact CZ-CG2 4.05Å; F268-T336 WeakPolarHBondContact O-CG2 3.48Å; F268-F339 HydrophobicContact CE2-CB 4.33Å; F268-F339 HydrophobicContact CE2-CG 4.41Å; F268-F339 HydrophobicContact CZ-CB 4.2Å; F268-F339 HydrophobicContact CZ-CD1 4Å; F268-F339 HydrophobicContact CZ-CD2 4.27Å; F268-F339 HydrophobicContact CZ-CE1 4.4Å; F268-F339 AromaticContact CZ-CG 3.92Å; F268-F339 HydrophobicContact CZ-CG 3.92Å
269D98.8Very high97.7Very high2 Ų28.3 Ų8.31%0.0114%0.039CC..Hα-helixtrans-66.7-38.4-175.9-151.719.9000111.9H160 C231 H232 N233 R266 H273H160-D269 IonicContact CD2-OD2 2.79Å; H160-D269 IonicContact CE1-OD2 3.92Å; H160-D269 IonicContact NE2-OD2 2.63Å; H160-D269 PolarHBondContact NE2-OD2 3.22Å; C231-D269 WeakPolarHBondContact CA-OD2 2.96Å; C231-D269 HydrophobicContact CB-CB 3.84Å; H232-D269 PolarHBondContact N-OD2 2.94Å; N233-D269 WeakPolarHBondContact CA-OD1 3.2Å; N233-D269 PolarHBondContact N-OD1 3.44Å; R266-D269 PolarHBondContact O-N 3.3Å; D269-H273 PolarHBondContact O-N 2.97Å; D269-H273 VanDerWaalsContact O-N 3.08Å
270I98.9Very high98Very high0 Ų08.2 Ų8.20%04%0.04CC..Hα-helixtrans-68.4-48175.7-61.6170.3000111M156 R266 F268 N272 H273 F274 F305 F306 Y309 V329M156-I270 HydrophobicContact SD-CB 4.5Å; M156-I270 HydrophobicContact SD-CG1 3.58Å; M156-I270 VanDerWaalsContact SD-CG1 3.58Å; R266-I270 HydrophobicContact CG-CD1 3.8Å; R266-I270 WeakPolarHBondContact O-CG1 3.21Å; R266-I270 PolarHBondContact O-N 2.83Å; F268-I270 VanDerWaalsContact C-N 3.34Å; F268-I270 PolarHBondContact O-N 3.44Å; I270-N272 VanDerWaalsContact C-N 3.28Å; I270-N272 PolarHBondContact O-N 2.93Å; I270-H273 PolarHBondContact O-N 3.44Å; I270-F274 HydrophobicContact CG2-CD2 4.11Å; I270-F274 HydrophobicContact CG2-CE1 4.19Å; I270-F274 HydrophobicContact CG2-CE2 3.61Å; I270-F274 HydrophobicContact CG2-CZ 3.66Å; I270-F274 WeakPolarHBondContact O-CG 3.21Å; I270-F274 PolarHBondContact O-N 3.49Å; I270-F305 HydrophobicContact CG1-CE1 4.38Å; I270-F305 HydrophobicContact CG2-CD1 4.4Å; I270-F305 HydrophobicContact CG2-CE1 4.07Å; I270-F306 HydrophobicContact CG2-CE1 3.95Å; I270-Y309 HydrophobicContact CD1-CE2 4.47Å; I270-V329 HydrophobicContact CB-CG2 4.14Å; I270-V329 HydrophobicContact CD1-CG2 4.48Å; I270-V329 HydrophobicContact CG2-CG1 4.32Å; I270-V329 HydrophobicContact CG2-CG2 3.9Å
271A98.9Very high98Very high0 Ų09.8 Ų9.80%05%0.046CC..Hα-helixtrans-60.5-40.1177.900000111.6A267 F268 F274 N275 V329 F332 V333 T336A267-A271 WeakPolarHBondContact O-CB 3.28Å; A267-A271 PolarHBondContact O-N 2.86Å; F268-A271 PolarHBondContact O-N 2.78Å; A271-F274 PolarHBondContact O-N 3.06Å; A271-N275 PolarHBondContact O-N 3.49Å; A271-N275 PolarHBondContact O-ND2 3.3Å; A271-V329 HydrophobicContact CB-CG1 3.94Å; A271-F332 HydrophobicContact CB-CB 3.61Å; A271-V333 HydrophobicContact CB-CG2 4.11Å; A271-T336 HydrophobicContact CB-CG2 3.92Å
272N98.9Very high97.7Very high0 Ų013.2 Ų13.20%08%0.075CC..Hα-helixtrans-58.7-54.7175.1-173.259.6000110N233 L235 F268 I270 F274 N275 E276 T336 W340N233-N272 PolarHBondContact O-ND2 3.1Å; L235-N272 PolarHBondContact N-ND2 3.36Å; F268-N272 VanDerWaalsContact O-CB 3.28Å; F268-N272 WeakPolarHBondContact O-CB 3.48Å; F268-N272 PolarHBondContact O-N 3.47Å; I270-N272 VanDerWaalsContact C-N 3.28Å; I270-N272 PolarHBondContact O-N 2.93Å; N272-F274 PolarHBondContact O-N 3.19Å; N272-N275 WeakPolarHBondContact O-CA 3.43Å; N272-N275 WeakPolarHBondContact O-CB 3.24Å; N272-N275 PolarHBondContact O-N 3.4Å; N272-E276 WeakPolarHBondContact O-CG 3.37Å; N272-E276 PolarHBondContact O-N 3.06Å; N272-T336 HydrophobicContact CB-CG2 3.92Å; N272-W340 PolarHBondContact OD1-NE1 3.17Å
273H98.9Very high97.4Very high0 Ų014 Ų140%08%0.079CC..Hα-helixtrans-55.3-40179-178.359.8000112.6M156 L235 D269 I270 E276 W277 F305M156-H273 HydrophobicContact CE-CB 3.94Å; L235-H273 PolarHBondContact O-ND1 3.21Å; D269-H273 PolarHBondContact O-N 2.97Å; D269-H273 VanDerWaalsContact O-N 3.08Å; I270-H273 PolarHBondContact O-N 3.44Å; H273-E276 WeakPolarHBondContact O-CB 3.37Å; H273-E276 PolarHBondContact O-N 3.34Å; H273-W277 AromaticContact CD2-NE1 3.6Å; H273-W277 AromaticContact CE1-NE1 3.71Å; H273-W277 AromaticContact NE2-NE1 3.15Å; H273-W277 PolarHBondContact NE2-NE1 2.85Å; H273-W277 VanDerWaalsContact NE2-NE1 3.15Å; H273-F305 AromaticContact CD2-CE2 3.53Å; H273-F305 AromaticContact CD2-CZ 3.93Å; H273-F305 AromaticContact NE2-CE2 3.86Å
274F98.9Very high96.8Very high0 Ų019.4 Ų19.40%012%0.12CC..Hα-helixtrans-67.4-37.5175.8-69-12.9000113.5I270 A271 N272 E276 W277 F296 P297 Q302 F305 F306 V329I270-F274 HydrophobicContact CG2-CD2 4.11Å; I270-F274 HydrophobicContact CG2-CE1 4.19Å; I270-F274 HydrophobicContact CG2-CE2 3.61Å; I270-F274 HydrophobicContact CG2-CZ 3.66Å; I270-F274 WeakPolarHBondContact O-CG 3.21Å; I270-F274 PolarHBondContact O-N 3.49Å; A271-F274 PolarHBondContact O-N 3.06Å; N272-F274 PolarHBondContact O-N 3.19Å; F274-E276 VanDerWaalsContact C-N 3.27Å; F274-E276 PolarHBondContact O-N 3.32Å; F274-W277 WeakPolarHBondContact O-CB 3.33Å; F274-W277 PolarHBondContact O-N 2.96Å; F274-F296 HydrophobicContact CB-CE2 3.97Å; F274-F296 HydrophobicContact CB-CZ 4.21Å; F274-P297 HydrophobicContact CB-CG 3.58Å; F274-P297 HydrophobicContact CD1-CG 3.64Å; F274-P297 HydrophobicContact CD2-CG 4Å; F274-P297 HydrophobicContact CE1-CG 4.27Å; F274-P297 HydrophobicContact CG-CG 3.47Å; F274-P297 VanDerWaalsContact CG-CG 3.47Å; F274-P297 WeakPolarHBondContact O-CD 3.39Å; F274-Q302 HydrophobicContact CD2-CG 4Å; F274-Q302 HydrophobicContact CE2-CB 4.01Å; F274-Q302 HydrophobicContact CE2-CG 3.56Å; F274-Q302 HydrophobicContact CZ-CB 4.15Å; F274-Q302 HydrophobicContact CZ-CG 3.96Å; F274-F305 HydrophobicContact CE1-CB 4Å; F274-F305 AromaticContact CE1-CD1 3.86Å; F274-F305 HydrophobicContact CE1-CD1 3.86Å; F274-F305 AromaticContact CE1-CD2 3.89Å; F274-F305 HydrophobicContact CE1-CD2 3.89Å; F274-F305 HydrophobicContact CE1-CE1 4.29Å; F274-F305 HydrophobicContact CE1-CE2 4.3Å; F274-F305 AromaticContact CE1-CG 3.65Å; F274-F305 HydrophobicContact CE1-CG 3.65Å; F274-F305 HydrophobicContact CE1-CZ 4.49Å; F274-F305 HydrophobicContact CZ-CB 3.99Å; F274-F305 AromaticContact CZ-CD1 3.8Å; F274-F305 HydrophobicContact CZ-CD1 3.8Å; F274-F305 HydrophobicContact CZ-CE1 4.44Å; F274-F305 AromaticContact CZ-CG 3.88Å; F274-F305 HydrophobicContact CZ-CG 3.88Å; F274-F306 AromaticContact CE2-CE1 3.7Å; F274-F306 HydrophobicContact CE2-CE1 3.7Å; F274-F306 AromaticContact CE2-CZ 3.83Å; F274-F306 HydrophobicContact CE2-CZ 3.83Å; F274-F306 HydrophobicContact CZ-CD1 4.44Å; F274-F306 AromaticContact CZ-CE1 3.7Å; F274-F306 HydrophobicContact CZ-CE1 3.7Å; F274-F306 HydrophobicContact CZ-CZ 4.2Å; F274-V329 HydrophobicContact CD2-CG1 4.11Å; F274-V329 HydrophobicContact CE2-CG1 4.24Å
275N98.8Very high96.4Very high1 Ų123 Ų231%0.00514%0.144CC..Hα-helixtrans-62.5-37.7172.8-82-50.7000111.6A271 N272 W277 M278 F279 V333 T336 N337A271-N275 PolarHBondContact O-N 3.49Å; A271-N275 PolarHBondContact O-ND2 3.3Å; N272-N275 WeakPolarHBondContact O-CA 3.43Å; N272-N275 WeakPolarHBondContact O-CB 3.24Å; N272-N275 PolarHBondContact O-N 3.4Å; N275-W277 PolarHBondContact O-N 2.92Å; N275-W277 VanDerWaalsContact O-N 3.14Å; N275-M278 HydrophobicContact CB-CE 4.24Å; N275-M278 WeakPolarHBondContact O-CB 3.47Å; N275-M278 PolarHBondContact O-N 3.45Å; N275-M278 VanDerWaalsContact OD1-CE 3.23Å; N275-M278 WeakPolarHBondContact OD1-CE 3.44Å; N275-F279 WeakPolarHBondContact O-CD2 3.4Å; N275-V333 PolarHBondContact ND2-O 2.63Å; N275-T336 PolarHBondContact ND2-OG1 3.17Å; N275-N337 PolarHBondContact ND2-ND2 3.16Å; N275-N337 PolarHBondContact OD1-ND2 3.03Å
276E98.5Very high96Very high3 Ų327 Ų271%0.01418%0.175CC..Hα-helixtrans-64.3-15.6178.1-61.8-47.1115.200114.2H236 N272 H273 F274 M278 F279 Y281 R364H236-E276 HydrophobicContact CB-CB 4.01Å; H236-E276 HydrophobicContact CB-CG 3.6Å; H236-E276 WeakPolarHBondContact CB-OE2 3.39Å; N272-E276 WeakPolarHBondContact O-CG 3.37Å; N272-E276 PolarHBondContact O-N 3.06Å; H273-E276 WeakPolarHBondContact O-CB 3.37Å; H273-E276 PolarHBondContact O-N 3.34Å; F274-E276 VanDerWaalsContact C-N 3.27Å; F274-E276 PolarHBondContact O-N 3.32Å; E276-M278 PolarHBondContact O-N 2.9Å; E276-F279 PolarHBondContact O-N 3.38Å; E276-Y281 WeakPolarHBondContact OE2-CE2 3.35Å; E276-Y281 PolarHBondContact OE2-OH 2.98Å; E276-R364 IonicContact OE1-CZ 3.41Å; E276-R364 IonicContact OE1-NH1 2.79Å; E276-R364 PolarHBondContact OE1-NH1 2.92Å; E276-R364 IonicContact OE1-NH2 3.59Å; E276-R364 PolarHBondContact OE1-NH2 2.92Å; E276-R364 IonicContact OE2-NH2 2.67Å; E276-R364 PolarHBondContact OE2-NH2 3.42Å
277W98.5Very high95.8Very high4 Ų427.8 Ų27.82%0.01518%0.183CC..THydrogen-bonded Turntrans-65.9-25172.6-69.627.9000112.3L143 Q144 S149 H273 F274 N275 H295 P297L143-W277 HydrophobicContact CB-CD2 4.27Å; L143-W277 HydrophobicContact CB-CG 4.12Å; L143-W277 HydrophobicContact CD1-CG 4.46Å; L143-W277 WeakPolarHBondContact O-CH2 3.41Å; L143-W277 WeakPolarHBondContact O-CZ2 3.48Å; Q144-W277 HydrophobicContact CB-CE3 4.34Å; Q144-W277 HydrophobicContact CB-CZ3 4.17Å; Q144-W277 HydrophobicContact CG-CD2 4.39Å; Q144-W277 HydrophobicContact CG-CE3 3.67Å; Q144-W277 HydrophobicContact CG-CZ3 3.99Å; S149-W277 WeakPolarHBondContact OG-CZ2 3.41Å; H273-W277 AromaticContact CD2-NE1 3.6Å; H273-W277 AromaticContact CE1-NE1 3.71Å; H273-W277 AromaticContact NE2-NE1 3.15Å; H273-W277 PolarHBondContact NE2-NE1 2.85Å; H273-W277 VanDerWaalsContact NE2-NE1 3.15Å; F274-W277 WeakPolarHBondContact O-CB 3.33Å; F274-W277 PolarHBondContact O-N 2.96Å; N275-W277 PolarHBondContact O-N 2.92Å; N275-W277 VanDerWaalsContact O-N 3.14Å; W277-H295 WeakPolarHBondContact CB-O 3.48Å; W277-H295 VanDerWaalsContact O-CB 3.28Å; W277-H295 WeakPolarHBondContact O-CB 3.41Å; W277-P297 HydrophobicContact CD2-CB 4.2Å; W277-P297 HydrophobicContact CD2-CG 4.14Å; W277-P297 HydrophobicContact CE3-CB 3.65Å; W277-P297 HydrophobicContact CE3-CG 4.05Å; W277-P297 HydrophobicContact CH2-CB 4.08Å; W277-P297 HydrophobicContact CZ3-CB 3.6Å; W277-P297 HydrophobicContact CZ3-CG 4.42Å
278M98.5Very high95.5Very high9 Ų928.2 Ų28.24%0.04419%0.187CC..THydrogen-bonded Turntrans-80.4-21179.1-60.5-174.6-69.700112.8N275 E276 V291 S292 F296 L367N275-M278 HydrophobicContact CB-CE 4.24Å; N275-M278 WeakPolarHBondContact O-CB 3.47Å; N275-M278 PolarHBondContact O-N 3.45Å; N275-M278 VanDerWaalsContact OD1-CE 3.23Å; N275-M278 WeakPolarHBondContact OD1-CE 3.44Å; E276-M278 PolarHBondContact O-N 2.9Å; M278-V291 HydrophobicContact CB-CG1 4.11Å; M278-V291 CarbonylContact O-C 3.59Å; M278-V291 VanDerWaalsContact O-CA 3.28Å; M278-V291 WeakPolarHBondContact O-CA 3.11Å; M278-S292 WeakPolarHBondContact CB-O 3.3Å; M278-S292 WeakPolarHBondContact CG-O 3.45Å; M278-S292 PolarHBondContact O-N 3.02Å; M278-F296 HydrophobicContact CE-CD2 4.04Å; M278-F296 HydrophobicContact CG-CB 3.91Å; M278-F296 HydrophobicContact CG-CD2 4.43Å; M278-F296 HydrophobicContact SD-CB 3.82Å; M278-F296 HydrophobicContact SD-CD2 4.07Å; M278-F296 HydrophobicContact SD-CG 4.4Å; M278-L367 HydrophobicContact CE-CD1 3.74Å; M278-L367 HydrophobicContact CE-CD2 4.2Å; M278-L367 HydrophobicContact SD-CD2 4.31Å
279F98.1Very high95.4Very high0 Ų028.6 Ų28.60%019%0.189CC..EExtended strand (participates in β ladder)trans-102.3138-170.9-71.3-99.7000111.6S140 N275 E276 Y281 F289 V291 F360 V363 R364 L367S140-F279 WeakPolarHBondContact CB-O 3.39Å; S140-F279 PolarHBondContact OG-O 3.09Å; N275-F279 WeakPolarHBondContact O-CD2 3.4Å; E276-F279 PolarHBondContact O-N 3.38Å; F279-Y281 HydrophobicContact CB-CE1 4.01Å; F279-Y281 HydrophobicContact CB-CE2 4.01Å; F279-Y281 WeakPolarHBondContact CB-OH 3.4Å; F279-Y281 AromaticContact CD1-CE1 3.92Å; F279-Y281 HydrophobicContact CD1-CE1 3.92Å; F279-Y281 AromaticContact CD1-CZ 3.97Å; F279-Y281 WeakPolarHBondContact CD1-OH 3.26Å; F279-Y281 HydrophobicContact CG-CE1 4.33Å; F279-Y281 AromaticContact CG-CZ 3.99Å; F279-Y281 WeakPolarHBondContact CG-OH 3.43Å; F279-F289 HydrophobicContact CD1-CD2 4.29Å; F279-F289 HydrophobicContact CE1-CD2 4.48Å; F279-V291 HydrophobicContact CD1-CG2 3.47Å; F279-V291 VanDerWaalsContact CD1-CG2 3.47Å; F279-V291 HydrophobicContact CE1-CB 4.48Å; F279-V291 HydrophobicContact CE1-CG1 4.31Å; F279-V291 HydrophobicContact CE1-CG2 3.33Å; F279-V291 HydrophobicContact CE2-CG1 4.26Å; F279-V291 HydrophobicContact CG-CG2 4.21Å; F279-V291 HydrophobicContact CZ-CG1 4.11Å; F279-V291 HydrophobicContact CZ-CG2 3.96Å; F279-F360 HydrophobicContact CD1-CE2 4.26Å; F279-F360 HydrophobicContact CE1-CD2 4.26Å; F279-F360 HydrophobicContact CE1-CE2 4.04Å; F279-V363 HydrophobicContact CE1-CG1 4.37Å; F279-V363 HydrophobicContact CZ-CG1 4.29Å; F279-R364 HydrophobicContact CE1-CG 4.5Å; F279-R364 HydrophobicContact CZ-CG 4.18Å; F279-R364 VanDerWaalsContact CZ-CZ 3.48Å; F279-L367 HydrophobicContact CE2-CD1 3.8Å; F279-L367 HydrophobicContact CZ-CD1 3.7Å
280D96.3Very high95.3Very high40 Ų4032.1 Ų32.121%0.21421%0.21CC..EExtended strand (participates in β ladder)trans-125.8120.7164-167.81.8000110.2A282 F289 V290D280-A282 WeakPolarHBondContact OD1-CB 3.17Å; D280-A282 PolarHBondContact OD1-N 3.3Å; D280-F289 CarbonylContact O-C 3.44Å; D280-F289 WeakPolarHBondContact O-CA 3.44Å; D280-F289 WeakPolarHBondContact O-CB 3.4Å; D280-V290 HydrophobicContact CB-CG2 3.77Å; D280-V290 PolarHBondContact N-O 2.96Å; D280-V290 PolarHBondContact O-N 2.95Å
281Y93.2Very high95.2Very high62 Ų6234.3 Ų34.324%0.24322%0.223CC..  trans-98.8-2.7-179-54.4-60.4000112.4H236 E276 F279 V283 F289 F355 F360 R364H236-Y281 HydrophobicContact CB-CE2 4.38Å; E276-Y281 WeakPolarHBondContact OE2-CE2 3.35Å; E276-Y281 PolarHBondContact OE2-OH 2.98Å; F279-Y281 HydrophobicContact CB-CE1 4.01Å; F279-Y281 HydrophobicContact CB-CE2 4.01Å; F279-Y281 WeakPolarHBondContact CB-OH 3.4Å; F279-Y281 AromaticContact CD1-CE1 3.92Å; F279-Y281 HydrophobicContact CD1-CE1 3.92Å; F279-Y281 AromaticContact CD1-CZ 3.97Å; F279-Y281 WeakPolarHBondContact CD1-OH 3.26Å; F279-Y281 HydrophobicContact CG-CE1 4.33Å; F279-Y281 AromaticContact CG-CZ 3.99Å; F279-Y281 WeakPolarHBondContact CG-OH 3.43Å; Y281-V283 PolarHBondContact O-N 3.44Å; Y281-F289 HydrophobicContact CD1-CB 3.75Å; Y281-F289 HydrophobicContact CE1-CB 4.16Å; Y281-F355 HydrophobicContact CD1-CE2 4.14Å; Y281-F355 HydrophobicContact CD1-CZ 4.36Å; Y281-F355 HydrophobicContact CE1-CZ 4.46Å; Y281-F360 HydrophobicContact CE1-CD2 4.35Å; Y281-F360 AromaticContact CE1-CE2 3.96Å; Y281-F360 HydrophobicContact CE1-CE2 3.96Å; Y281-R364 PolarHBondContact OH-NH2 3.26Å
282A88.8Confident95.2Very high83 Ų8335.7 Ų35.769%0.68623%0.233SC*.  trans-81.245.7177.800000111.9D280D280-A282 WeakPolarHBondContact OD1-CB 3.17Å; D280-A282 PolarHBondContact OD1-N 3.3Å
283V88.9Confident94.9Very high34 Ų3438.8 Ų38.821%0.20626%0.255CS..  trans-118.6119.9-174.6-176.30000109.2Y281 V290Y281-V283 PolarHBondContact O-N 3.44Å; V283-V290 HydrophobicContact CG2-CG1 4.15Å; V283-V290 HydrophobicContact CG2-CG2 4.07Å
284S86.6Confident94.7Very high133 Ų13345 Ų4593%0.9328%0.284SS*.  trans-84-15.5-177.259.10000114.3
285S90.8Very high94.7Very high74 Ų7447.8 Ų47.852%0.51730%0.297SS..SBendtrans-93.8149176.653.60000110.9G288S285-G288 WeakPolarHBondContact O-CA 3.36Å; S285-G288 PolarHBondContact O-N 3.39Å
286S90.1Very high94.7Very high102 Ų10250.4 Ų50.471%0.71331%0.308SS*.THydrogen-bonded Turntrans-49.5137.5167.41750000110.6G288S286-G288 VanDerWaalsContact C-N 3.33Å
287P94.5Very high94.7Very high37 Ų3750.4 Ų50.424%0.2431%0.309CS..THydrogen-bonded Turncis-82.27.1933.9-36.2000115.5F289 D356 E359P287-F289 HydrophobicContact CB-CD1 3.99Å; P287-F289 HydrophobicContact CB-CE1 3.6Å; P287-F289 HydrophobicContact CB-CZ 4.25Å; P287-F289 HydrophobicContact CG-CD1 3.96Å; P287-F289 HydrophobicContact CG-CE1 3.76Å; P287-F289 HydrophobicContact CG-CG 4.46Å; P287-F289 HydrophobicContact CG-CZ 4.07Å; P287-D356 HydrophobicContact CB-CB 3.58Å; P287-D356 PolarHBondContact O-N 2.88Å; P287-E359 HydrophobicContact CB-CB 4.16Å; P287-E359 HydrophobicContact CB-CG 4.14Å; P287-E359 HydrophobicContact CG-CG 4.43Å
288G92.6Very high94.6Very high9 Ų954.9 Ų54.99%0.09333%0.333CS..SBendtrans89.64.5-176.300000113.3S285 S286S285-G288 WeakPolarHBondContact O-CA 3.36Å; S285-G288 PolarHBondContact O-N 3.39Å; S286-G288 VanDerWaalsContact C-N 3.33Å
289F96Very high94.6Very high7 Ų758.7 Ų58.73%0.03135%0.35CS..  trans-154.7164176.366.9-81.9000111.7F279 D280 Y281 P287 V291 F355 E359 F360 V363F279-F289 HydrophobicContact CD1-CD2 4.29Å; F279-F289 HydrophobicContact CE1-CD2 4.48Å; D280-F289 CarbonylContact O-C 3.44Å; D280-F289 WeakPolarHBondContact O-CA 3.44Å; D280-F289 WeakPolarHBondContact O-CB 3.4Å; Y281-F289 HydrophobicContact CD1-CB 3.75Å; Y281-F289 HydrophobicContact CE1-CB 4.16Å; P287-F289 HydrophobicContact CB-CD1 3.99Å; P287-F289 HydrophobicContact CB-CE1 3.6Å; P287-F289 HydrophobicContact CB-CZ 4.25Å; P287-F289 HydrophobicContact CG-CD1 3.96Å; P287-F289 HydrophobicContact CG-CE1 3.76Å; P287-F289 HydrophobicContact CG-CG 4.46Å; P287-F289 HydrophobicContact CG-CZ 4.07Å; F289-V291 HydrophobicContact CD2-CG2 3.57Å; F289-V291 HydrophobicContact CE2-CG2 3.61Å; F289-F355 HydrophobicContact CB-CE2 3.98Å; F289-F355 HydrophobicContact CB-CZ 4.28Å; F289-F355 HydrophobicContact CD1-CE1 4.14Å; F289-F355 AromaticContact CD1-CE2 3.59Å; F289-F355 HydrophobicContact CD1-CE2 3.59Å; F289-F355 AromaticContact CD1-CZ 3.37Å; F289-F355 HydrophobicContact CD1-CZ 3.37Å; F289-F355 HydrophobicContact CE1-CE1 4.37Å; F289-F355 AromaticContact CE1-CZ 3.99Å; F289-F355 HydrophobicContact CE1-CZ 3.99Å; F289-F355 HydrophobicContact CG-CE2 4.17Å; F289-F355 HydrophobicContact CG-CZ 4.05Å; F289-E359 HydrophobicContact CE1-CB 4.49Å; F289-E359 HydrophobicContact CZ-CB 4.39Å; F289-E359 HydrophobicContact CZ-CG 4.18Å; F289-F360 HydrophobicContact CD1-CB 4.43Å; F289-F360 HydrophobicContact CE1-CB 3.69Å; F289-F360 HydrophobicContact CE1-CD2 4.48Å; F289-F360 HydrophobicContact CZ-CB 3.9Å; F289-V363 HydrophobicContact CE2-CB 4.47Å; F289-V363 HydrophobicContact CE2-CG2 4.25Å; F289-V363 HydrophobicContact CZ-CG2 4.35Å
290V97Very high94.5Very high76 Ų7663.1 Ų63.146%0.46138%0.381SS..EExtended strand (participates in β ladder)trans-127.1153164.9-67.90000110D280 V283D280-V290 HydrophobicContact CB-CG2 3.77Å; D280-V290 PolarHBondContact N-O 2.96Å; D280-V290 PolarHBondContact O-N 2.95Å; V283-V290 HydrophobicContact CG2-CG1 4.15Å; V283-V290 HydrophobicContact CG2-CG2 4.07Å
291V97.4Very high94.6Very high46 Ų4662.8 Ų62.828%0.27938%0.382SS..EExtended strand (participates in β ladder)trans-129.3127178.5-171.90000110.5M278 F279 F289 V363 L367M278-V291 HydrophobicContact CB-CG1 4.11Å; M278-V291 CarbonylContact O-C 3.59Å; M278-V291 VanDerWaalsContact O-CA 3.28Å; M278-V291 WeakPolarHBondContact O-CA 3.11Å; F279-V291 HydrophobicContact CD1-CG2 3.47Å; F279-V291 VanDerWaalsContact CD1-CG2 3.47Å; F279-V291 HydrophobicContact CE1-CB 4.48Å; F279-V291 HydrophobicContact CE1-CG1 4.31Å; F279-V291 HydrophobicContact CE1-CG2 3.33Å; F279-V291 HydrophobicContact CE2-CG1 4.26Å; F279-V291 HydrophobicContact CG-CG2 4.21Å; F279-V291 HydrophobicContact CZ-CG1 4.11Å; F279-V291 HydrophobicContact CZ-CG2 3.96Å; F289-V291 HydrophobicContact CD2-CG2 3.57Å; F289-V291 HydrophobicContact CE2-CG2 3.61Å; V291-V363 HydrophobicContact CB-CG1 4.19Å; V291-V363 HydrophobicContact CG1-CG1 4.15Å; V291-V363 HydrophobicContact CG2-CG1 3.8Å; V291-L367 HydrophobicContact CG1-CD1 4.49Å
292S97.1Very high94.9Very high30 Ų3060.3 Ų60.321%0.2137%0.373CS..  trans-120.695.6178.9-90.20000109.1M278 E294 H295M278-S292 WeakPolarHBondContact CB-O 3.3Å; M278-S292 WeakPolarHBondContact CG-O 3.45Å; M278-S292 PolarHBondContact O-N 3.02Å; S292-E294 VanDerWaalsContact C-OE2 3.23Å; S292-E294 WeakPolarHBondContact CA-OE2 3.48Å; S292-E294 VanDerWaalsContact CB-CD 3.46Å; S292-E294 WeakPolarHBondContact CB-OE1 3.3Å; S292-E294 PolarHBondContact O-N 3.48Å; S292-E294 PolarHBondContact OG-OE1 2.9Å; S292-H295 VanDerWaalsContact CB-ND1 3.26Å; S292-H295 WeakPolarHBondContact CB-ND1 3.43Å; S292-H295 WeakPolarHBondContact O-CB 3.44Å; S292-H295 PolarHBondContact O-N 3.18Å
293S93.7Very high95.4Very high65 Ų6558.5 Ų58.546%0.45535%0.35SS..G310 helixtrans-60.2-26.9-17865.30000113.5H295 F296S293-H295 PolarHBondContact O-N 3.3Å; S293-F296 WeakPolarHBondContact O-CB 3.39Å; S293-F296 PolarHBondContact O-N 3.45Å
294E95.4Very high95.8Very high131 Ų13159.8 Ų59.861%0.61236%0.355SS*.G310 helixtrans-66.6-17.617567.9-79.4-174.400113.8S292S292-E294 VanDerWaalsContact C-OE2 3.23Å; S292-E294 WeakPolarHBondContact CA-OE2 3.48Å; S292-E294 VanDerWaalsContact CB-CD 3.46Å; S292-E294 WeakPolarHBondContact CB-OE1 3.3Å; S292-E294 PolarHBondContact O-N 3.48Å; S292-E294 PolarHBondContact OG-OE1 2.9Å
295H97.7Very high96.4Very high57 Ų5753.4 Ų53.426%0.26431%0.311SS..G310 helixtrans-86-5.7177.4-66.8167.2000113.7Q144 W277 S292 S293Q144-H295 PolarHBondContact NE2-CD2 3.01Å; Q144-H295 VanDerWaalsContact NE2-CD2 3.3Å; Q144-H295 PolarHBondContact NE2-ND1 3.3Å; W277-H295 WeakPolarHBondContact CB-O 3.48Å; W277-H295 VanDerWaalsContact O-CB 3.28Å; W277-H295 WeakPolarHBondContact O-CB 3.41Å; S292-H295 VanDerWaalsContact CB-ND1 3.26Å; S292-H295 WeakPolarHBondContact CB-ND1 3.43Å; S292-H295 WeakPolarHBondContact O-CB 3.44Å; S292-H295 PolarHBondContact O-N 3.18Å; S293-H295 PolarHBondContact O-N 3.3Å
296F98.4Very high96.8Very high57 Ų5749.9 Ų49.925%0.2529%0.286CS..SBendtrans-55.8130.3170.2-170.9-93.7000109.3F274 M278 S293 N298 V333F274-F296 HydrophobicContact CB-CE2 3.97Å; F274-F296 HydrophobicContact CB-CZ 4.21Å; M278-F296 HydrophobicContact CE-CD2 4.04Å; M278-F296 HydrophobicContact CG-CB 3.91Å; M278-F296 HydrophobicContact CG-CD2 4.43Å; M278-F296 HydrophobicContact SD-CB 3.82Å; M278-F296 HydrophobicContact SD-CD2 4.07Å; M278-F296 HydrophobicContact SD-CG 4.4Å; S293-F296 WeakPolarHBondContact O-CB 3.39Å; S293-F296 PolarHBondContact O-N 3.45Å; F296-N298 PolarHBondContact O-N 3.08Å; F296-N298 VanDerWaalsContact O-N 3.11Å; F296-V333 HydrophobicContact CE2-CG1 3.78Å; F296-V333 HydrophobicContact CE2-CG2 4.26Å; F296-V333 HydrophobicContact CZ-CG1 3.92Å; F296-V333 HydrophobicContact CZ-CG2 3.8Å
297P98.5Very high97.2Very high3 Ų346.2 Ų46.22%0.01926%0.26CS..PPolyproline II helixtrans-60.3122-17421.1-31000110.6F274 W277 Q302F274-P297 HydrophobicContact CB-CG 3.58Å; F274-P297 HydrophobicContact CD1-CG 3.64Å; F274-P297 HydrophobicContact CD2-CG 4Å; F274-P297 HydrophobicContact CE1-CG 4.27Å; F274-P297 HydrophobicContact CG-CG 3.47Å; F274-P297 VanDerWaalsContact CG-CG 3.47Å; F274-P297 WeakPolarHBondContact O-CD 3.39Å; W277-P297 HydrophobicContact CD2-CB 4.2Å; W277-P297 HydrophobicContact CD2-CG 4.14Å; W277-P297 HydrophobicContact CE3-CB 3.65Å; W277-P297 HydrophobicContact CE3-CG 4.05Å; W277-P297 HydrophobicContact CH2-CB 4.08Å; W277-P297 HydrophobicContact CZ3-CB 3.6Å; W277-P297 HydrophobicContact CZ3-CG 4.42Å; P297-Q302 HydrophobicContact CB-CG 3.8Å; P297-Q302 HydrophobicContact CG-CG 3.92Å; P297-Q302 WeakPolarHBondContact O-CG 3.39Å; P297-Q302 PolarHBondContact O-NE2 3.45Å
298N97.6Very high97.4Very high98 Ų9844.5 Ų44.552%0.52425%0.249SC..PPolyproline II helixtrans-63.9168.7171.168.246.6000111.1F296 S300 S301 Q302F296-N298 PolarHBondContact O-N 3.08Å; F296-N298 VanDerWaalsContact O-N 3.11Å; N298-S300 PolarHBondContact O-N 3.4Å; N298-S300 VanDerWaalsContact O-N 3.16Å; N298-S300 WeakPolarHBondContact OD1-CB 3.37Å; N298-S300 PolarHBondContact OD1-N 2.84Å; N298-S301 PolarHBondContact O-N 3.25Å; N298-S301 PolarHBondContact OD1-N 3.04Å; N298-S301 PolarHBondContact OD1-OG 3.32Å; N298-Q302 WeakPolarHBondContact O-CG 3.28Å; N298-Q302 PolarHBondContact O-N 3.14Å
299E97.1Very high97.7Very high88 Ų8844.2 Ų44.241%0.41125%0.245SC..Hα-helixtrans-53.4-39.2-177.2-170.1-172.7147.800113.6Q302 K303 Y326E299-Q302 PolarHBondContact O-N 2.87Å; E299-K303 HydrophobicContact CG-CD 4.18Å; E299-K303 WeakPolarHBondContact O-CB 3.42Å; E299-K303 VanDerWaalsContact O-CG 3.26Å; E299-K303 WeakPolarHBondContact O-CG 3.35Å; E299-K303 PolarHBondContact O-N 3.41Å; E299-K303 WeakPolarHBondContact OE1-CE 3.35Å; E299-K303 IonicContact OE1-NZ 2.94Å; E299-K303 PolarHBondContact OE1-NZ 3.36Å; E299-Y326 HydrophobicContact CB-CE2 4.12Å; E299-Y326 HydrophobicContact CG-CD2 4.28Å; E299-Y326 HydrophobicContact CG-CE2 3.85Å
300S97.3Very high97.8Very high93 Ų9344.1 Ų44.165%0.6525%0.245SC*.Hα-helixtrans-66.7-42.3177.9-64.60000111.8N298 K303 L304N298-S300 PolarHBondContact O-N 3.4Å; N298-S300 VanDerWaalsContact O-N 3.16Å; N298-S300 WeakPolarHBondContact OD1-CB 3.37Å; N298-S300 PolarHBondContact OD1-N 2.84Å; S300-K303 PolarHBondContact O-N 3.45Å; S300-L304 PolarHBondContact O-N 2.97Å
301S98.6Very high97.9Very high34 Ų3446.5 Ų46.524%0.23825%0.249CC..Hα-helixtrans-66-41175.9-64.50000112.1N298 L304 F305N298-S301 PolarHBondContact O-N 3.25Å; N298-S301 PolarHBondContact OD1-N 3.04Å; N298-S301 PolarHBondContact OD1-OG 3.32Å; S301-L304 WeakPolarHBondContact O-CB 3.4Å; S301-L304 PolarHBondContact O-N 2.91Å; S301-F305 PolarHBondContact O-N 3.27Å
302Q98.7Very high97.9Very high9 Ų946.1 Ų46.14%0.04224%0.244CC..Hα-helixtrans-64-46175.4-66.6-172.846.300111.5F274 P297 N298 E299 L304 F305 F306 Y326F274-Q302 HydrophobicContact CD2-CG 4Å; F274-Q302 HydrophobicContact CE2-CB 4.01Å; F274-Q302 HydrophobicContact CE2-CG 3.56Å; F274-Q302 HydrophobicContact CZ-CB 4.15Å; F274-Q302 HydrophobicContact CZ-CG 3.96Å; P297-Q302 HydrophobicContact CB-CG 3.8Å; P297-Q302 HydrophobicContact CG-CG 3.92Å; P297-Q302 WeakPolarHBondContact O-CG 3.39Å; P297-Q302 PolarHBondContact O-NE2 3.45Å; N298-Q302 WeakPolarHBondContact O-CG 3.28Å; N298-Q302 PolarHBondContact O-N 3.14Å; E299-Q302 PolarHBondContact O-N 2.87Å; Q302-L304 VanDerWaalsContact C-N 3.29Å; Q302-L304 PolarHBondContact O-N 2.94Å; Q302-F305 WeakPolarHBondContact O-CB 3.15Å; Q302-F305 PolarHBondContact O-N 2.99Å; Q302-F305 VanDerWaalsContact O-N 3.1Å; Q302-F306 HydrophobicContact CB-CE2 3.9Å; Q302-F306 HydrophobicContact CB-CZ 3.93Å; Q302-F306 WeakPolarHBondContact O-CD1 3.23Å; Q302-F306 VanDerWaalsContact O-CD2 3.3Å; Q302-F306 WeakPolarHBondContact O-CD2 3.4Å; Q302-F306 WeakPolarHBondContact O-CG 3.21Å; Q302-F306 PolarHBondContact O-N 2.95Å; Q302-Y326 HydrophobicContact CB-CD2 4.29Å; Q302-Y326 HydrophobicContact CB-CE2 4.42Å
303K98.5Very high97.9Very high46 Ų4646.3 Ų46.320%0.224%0.243CC..Hα-helixtrans-61.8-36.4176.4-74.3177.5173.5173.70112.2E299 S300 F306 S307 L322 E323E299-K303 HydrophobicContact CG-CD 4.18Å; E299-K303 WeakPolarHBondContact O-CB 3.42Å; E299-K303 VanDerWaalsContact O-CG 3.26Å; E299-K303 WeakPolarHBondContact O-CG 3.35Å; E299-K303 PolarHBondContact O-N 3.41Å; E299-K303 WeakPolarHBondContact OE1-CE 3.35Å; E299-K303 IonicContact OE1-NZ 2.94Å; E299-K303 PolarHBondContact OE1-NZ 3.36Å; S300-K303 PolarHBondContact O-N 3.45Å; K303-F306 PolarHBondContact O-N 2.8Å; K303-S307 WeakPolarHBondContact O-CB 3.35Å; K303-S307 PolarHBondContact O-N 3.48Å; K303-L322 HydrophobicContact CG-CB 4.27Å; K303-E323 WeakPolarHBondContact CE-OE1 3.28Å; K303-E323 IonicContact NZ-OE1 2.74Å; K303-E323 PolarHBondContact NZ-OE1 3.24Å; K303-E323 IonicContact NZ-OE2 3.9Å
304L98.4Very high98.1Very high60 Ų6051.4 Ų51.431%0.31426%0.259SS..Hα-helixtrans-61.6-47.9171.9178.365.2000111.1P146 Y150 S300 S301 Q302 F306 S307 G308P146-L304 HydrophobicContact CB-CD2 3.6Å; Y150-L304 HydrophobicContact CD2-CD1 3.84Å; Y150-L304 HydrophobicContact CD2-CG 4.3Å; Y150-L304 HydrophobicContact CE2-CD1 4.29Å; S300-L304 PolarHBondContact O-N 2.97Å; S301-L304 WeakPolarHBondContact O-CB 3.4Å; S301-L304 PolarHBondContact O-N 2.91Å; Q302-L304 VanDerWaalsContact C-N 3.29Å; Q302-L304 PolarHBondContact O-N 2.94Å; L304-F306 PolarHBondContact O-N 3.02Å; L304-S307 PolarHBondContact O-N 2.78Å; L304-S307 PolarHBondContact O-OG 2.83Å; L304-G308 PolarHBondContact O-N 3.03Å; L304-G308 VanDerWaalsContact O-N 3.15Å
305F98.8Very high98.2Very high0 Ų051.6 Ų51.60%025%0.254CS..Hα-helixtrans-57-50.9175.7-172.8-82.8000111S149 I152 A153 M156 I270 H273 F274 S301 Q302 S307 G308 Y309S149-F305 WeakPolarHBondContact O-CD2 3.48Å; I152-F305 HydrophobicContact CB-CE2 4.26Å; I152-F305 HydrophobicContact CG2-CE2 3.93Å; I152-F305 HydrophobicContact CG2-CZ 4.37Å; A153-F305 HydrophobicContact CB-CB 4.49Å; A153-F305 HydrophobicContact CB-CD1 3.72Å; A153-F305 HydrophobicContact CB-CD2 3.67Å; A153-F305 HydrophobicContact CB-CE1 3.73Å; A153-F305 HydrophobicContact CB-CE2 3.69Å; A153-F305 HydrophobicContact CB-CG 3.69Å; A153-F305 HydrophobicContact CB-CZ 3.73Å; A153-F305 WeakPolarHBondContact CB-O 3.46Å; M156-F305 HydrophobicContact CE-CZ 4.12Å; M156-F305 HydrophobicContact SD-CE1 4.16Å; M156-F305 HydrophobicContact SD-CZ 3.96Å; I270-F305 HydrophobicContact CG1-CE1 4.38Å; I270-F305 HydrophobicContact CG2-CD1 4.4Å; I270-F305 HydrophobicContact CG2-CE1 4.07Å; H273-F305 AromaticContact CD2-CE2 3.53Å; H273-F305 AromaticContact CD2-CZ 3.93Å; H273-F305 AromaticContact NE2-CE2 3.86Å; F274-F305 HydrophobicContact CE1-CB 4Å; F274-F305 AromaticContact CE1-CD1 3.86Å; F274-F305 HydrophobicContact CE1-CD1 3.86Å; F274-F305 AromaticContact CE1-CD2 3.89Å; F274-F305 HydrophobicContact CE1-CD2 3.89Å; F274-F305 HydrophobicContact CE1-CE1 4.29Å; F274-F305 HydrophobicContact CE1-CE2 4.3Å; F274-F305 AromaticContact CE1-CG 3.65Å; F274-F305 HydrophobicContact CE1-CG 3.65Å; F274-F305 HydrophobicContact CE1-CZ 4.49Å; F274-F305 HydrophobicContact CZ-CB 3.99Å; F274-F305 AromaticContact CZ-CD1 3.8Å; F274-F305 HydrophobicContact CZ-CD1 3.8Å; F274-F305 HydrophobicContact CZ-CE1 4.44Å; F274-F305 AromaticContact CZ-CG 3.88Å; F274-F305 HydrophobicContact CZ-CG 3.88Å; S301-F305 PolarHBondContact O-N 3.27Å; Q302-F305 WeakPolarHBondContact O-CB 3.15Å; Q302-F305 PolarHBondContact O-N 2.99Å; Q302-F305 VanDerWaalsContact O-N 3.1Å; F305-S307 VanDerWaalsContact C-N 3.28Å; F305-S307 PolarHBondContact O-N 2.88Å; F305-G308 PolarHBondContact O-N 3.22Å; F305-Y309 PolarHBondContact O-N 2.94Å
306F98.9Very high98.1Very high0 Ų053.8 Ų53.80%027%0.274CS..Hα-helixtrans-58.2-38.3177.6-59.4-24000112.8I270 F274 Q302 K303 L304 G308 Y309 L310 L322 L325 Y326 V329I270-F306 HydrophobicContact CG2-CE1 3.95Å; F274-F306 AromaticContact CE2-CE1 3.7Å; F274-F306 HydrophobicContact CE2-CE1 3.7Å; F274-F306 AromaticContact CE2-CZ 3.83Å; F274-F306 HydrophobicContact CE2-CZ 3.83Å; F274-F306 HydrophobicContact CZ-CD1 4.44Å; F274-F306 AromaticContact CZ-CE1 3.7Å; F274-F306 HydrophobicContact CZ-CE1 3.7Å; F274-F306 HydrophobicContact CZ-CZ 4.2Å; Q302-F306 HydrophobicContact CB-CE2 3.9Å; Q302-F306 HydrophobicContact CB-CZ 3.93Å; Q302-F306 WeakPolarHBondContact O-CD1 3.23Å; Q302-F306 VanDerWaalsContact O-CD2 3.3Å; Q302-F306 WeakPolarHBondContact O-CD2 3.4Å; Q302-F306 WeakPolarHBondContact O-CG 3.21Å; Q302-F306 PolarHBondContact O-N 2.95Å; K303-F306 PolarHBondContact O-N 2.8Å; L304-F306 PolarHBondContact O-N 3.02Å; F306-G308 VanDerWaalsContact C-N 3.32Å; F306-G308 PolarHBondContact O-N 2.98Å; F306-Y309 WeakPolarHBondContact O-CB 3.26Å; F306-Y309 PolarHBondContact O-N 3.06Å; F306-L310 WeakPolarHBondContact O-CB 3.35Å; F306-L310 WeakPolarHBondContact O-CG 3.44Å; F306-L310 PolarHBondContact O-N 2.81Å; F306-L322 HydrophobicContact CB-CD2 3.55Å; F306-L325 HydrophobicContact CB-CB 4.46Å; F306-L325 HydrophobicContact CB-CD1 3.75Å; F306-L325 HydrophobicContact CD1-CB 4.21Å; F306-L325 HydrophobicContact CD1-CD1 4.36Å; F306-L325 HydrophobicContact CD2-CB 3.82Å; F306-L325 HydrophobicContact CE1-CB 4.45Å; F306-L325 HydrophobicContact CE2-CB 4.08Å; F306-L325 HydrophobicContact CG-CB 3.9Å; F306-L325 HydrophobicContact CG-CD1 4.01Å; F306-L325 HydrophobicContact CZ-CB 4.39Å; F306-Y326 HydrophobicContact CE2-CD2 4.1Å; F306-V329 HydrophobicContact CE1-CG2 4.18Å; F306-V329 HydrophobicContact CZ-CG2 4.2Å
307S98.7Very high98Very high25 Ų2553.4 Ų53.418%0.17528%0.281CS..Hα-helixtrans-64.3-37.5176.879.60000112.2Y150 K303 L304 F305 K311Y150-S307 WeakPolarHBondContact CE2-OG 3.28Å; K303-S307 WeakPolarHBondContact O-CB 3.35Å; K303-S307 PolarHBondContact O-N 3.48Å; L304-S307 PolarHBondContact O-N 2.78Å; L304-S307 PolarHBondContact O-OG 2.83Å; F305-S307 VanDerWaalsContact C-N 3.28Å; F305-S307 PolarHBondContact O-N 2.88Å; S307-K311 VanDerWaalsContact O-CB 3.25Å; S307-K311 WeakPolarHBondContact O-CB 3.22Å; S307-K311 PolarHBondContact O-N 3.3Å
308G98.4Very high97.9Very high0 Ų055.7 Ų55.70%030%0.297CS..Hα-helixtrans-66.4-45.2173.200000111.9Y150 Q154 L304 F305 F306 K311 E312Y150-G308 VanDerWaalsContact CZ-CA 3.43Å; Q154-G308 WeakPolarHBondContact CG-O 3.49Å; L304-G308 PolarHBondContact O-N 3.03Å; L304-G308 VanDerWaalsContact O-N 3.15Å; F305-G308 PolarHBondContact O-N 3.22Å; F306-G308 VanDerWaalsContact C-N 3.32Å; F306-G308 PolarHBondContact O-N 2.98Å; G308-K311 PolarHBondContact O-N 3.07Å; G308-E312 PolarHBondContact O-N 3.43Å; G308-E312 VanDerWaalsContact O-N 3.1Å
309Y98.9Very high97.8Very high4 Ų453.4 Ų53.42%0.01630%0.297CS..Hα-helixtrans-57.5-52.7175.8-171.2-84.2000111.6A153 M156 A157 H160 R266 I270 F305 F306 K311 E312 L313A153-Y309 WeakPolarHBondContact O-CD2 3.26Å; M156-Y309 HydrophobicContact CG-CE2 4.23Å; A157-Y309 VanDerWaalsContact CA-CE2 3.47Å; A157-Y309 HydrophobicContact CB-CD1 4.36Å; A157-Y309 HydrophobicContact CB-CD2 3.65Å; A157-Y309 HydrophobicContact CB-CE1 4.4Å; A157-Y309 HydrophobicContact CB-CE2 3.68Å; A157-Y309 HydrophobicContact CB-CG 3.98Å; H160-Y309 WeakPolarHBondContact CB-OH 3.46Å; H160-Y309 AromaticContact ND1-CE2 3.47Å; H160-Y309 WeakPolarHBondContact ND1-CE2 3.5Å; H160-Y309 AromaticContact ND1-CZ 3.55Å; H160-Y309 PolarHBondContact ND1-OH 3.03Å; R266-Y309 VanDerWaalsContact CD-OH 3.24Å; R266-Y309 WeakPolarHBondContact CD-OH 3.48Å; I270-Y309 HydrophobicContact CD1-CE2 4.47Å; F305-Y309 PolarHBondContact O-N 2.94Å; F306-Y309 WeakPolarHBondContact O-CB 3.26Å; F306-Y309 PolarHBondContact O-N 3.06Å; Y309-K311 PolarHBondContact O-N 3.21Å; Y309-E312 PolarHBondContact O-N 3.44Å; Y309-L313 HydrophobicContact CD1-CD1 3.93Å; Y309-L313 HydrophobicContact CD1-CG 4.34Å; Y309-L313 HydrophobicContact CE1-CD1 3.38Å; Y309-L313 HydrophobicContact CE1-CG 4.09Å; Y309-L313 WeakPolarHBondContact O-CG 3.43Å; Y309-L313 PolarHBondContact O-N 2.9Å
310L98.8Very high97.9Very high4 Ų457.2 Ų57.22%0.02132%0.315CS..Hα-helixtrans-64.2-39.4179.5-71.3174.7000112.5F306 E312 L313 Q314 R315 A317 L322 L325F306-L310 WeakPolarHBondContact O-CB 3.35Å; F306-L310 WeakPolarHBondContact O-CG 3.44Å; F306-L310 PolarHBondContact O-N 2.81Å; L310-E312 VanDerWaalsContact C-N 3.32Å; L310-E312 PolarHBondContact O-N 2.95Å; L310-L313 CarbonylContact O-C 3.52Å; L310-L313 WeakPolarHBondContact O-CA 3.36Å; L310-L313 PolarHBondContact O-N 3.42Å; L310-L313 VanDerWaalsContact O-N 3.12Å; L310-Q314 PolarHBondContact O-N 3.45Å; L310-Q314 VanDerWaalsContact O-N 3.12Å; L310-R315 CarbonylContact C-O 3.45Å; L310-R315 HydrophobicContact CB-CB 4.36Å; L310-R315 HydrophobicContact CD2-CB 3.97Å; L310-R315 PolarHBondContact O-N 3.23Å; L310-A317 HydrophobicContact CB-CB 4.42Å; L310-A317 HydrophobicContact CD1-CB 4.23Å; L310-L322 HydrophobicContact CD1-CD2 4.09Å; L310-L325 HydrophobicContact CD1-CD1 3.8Å; L310-L325 HydrophobicContact CD2-CD1 3.99Å; L310-L325 HydrophobicContact CG-CD1 3.79Å
311K98.3Very high97.9Very high127 Ų12754 Ų5455%0.55229%0.292SS*.Hα-helixtrans-59.5-43.4176.1-179.8179.5-178.3176.20111.8Y150 S307 G308 Y309 L313 Q314Y150-K311 HydrophobicContact CE1-CD 4.33Å; Y150-K311 WeakPolarHBondContact OH-CD 3.18Å; S307-K311 VanDerWaalsContact O-CB 3.25Å; S307-K311 WeakPolarHBondContact O-CB 3.22Å; S307-K311 PolarHBondContact O-N 3.3Å; G308-K311 PolarHBondContact O-N 3.07Å; Y309-K311 PolarHBondContact O-N 3.21Å; K311-L313 VanDerWaalsContact C-N 3.27Å; K311-L313 PolarHBondContact O-N 2.93Å; K311-Q314 PolarHBondContact O-N 3.07Å
312E97.9Very high97.9Very high37 Ų3753.4 Ų53.417%0.17329%0.286CS..Hα-helixtrans-64.9-34.3176.8-173.566.3-149.900112.2Q154 A157 R158 G308 Y309 L310 Q314Q154-E312 HydrophobicContact CB-CB 4.09Å; Q154-E312 HydrophobicContact CB-CG 4.29Å; Q154-E312 HydrophobicContact CG-CB 4.12Å; Q154-E312 PolarHBondContact NE2-OE2 3.17Å; Q154-E312 WeakPolarHBondContact O-CG 3.3Å; A157-E312 HydrophobicContact CB-CB 3.84Å; A157-E312 HydrophobicContact CB-CG 3.95Å; R158-E312 HydrophobicContact CG-CG 3.81Å; R158-E312 WeakPolarHBondContact CG-OE1 3.44Å; R158-E312 IonicContact CZ-OE1 3.36Å; R158-E312 IonicContact CZ-OE2 2.62Å; R158-E312 IonicContact NE-OE1 3.18Å; R158-E312 PolarHBondContact NE-OE1 3.25Å; R158-E312 IonicContact NE-OE2 3.45Å; R158-E312 IonicContact NH2-OE1 2.64Å; R158-E312 PolarHBondContact NH2-OE1 2.8Å; R158-E312 IonicContact NH2-OE2 3.99Å; R158-E312 PolarHBondContact NH2-OE2 3.41Å; G308-E312 PolarHBondContact O-N 3.43Å; G308-E312 VanDerWaalsContact O-N 3.1Å; Y309-E312 PolarHBondContact O-N 3.44Å; L310-E312 VanDerWaalsContact C-N 3.32Å; L310-E312 PolarHBondContact O-N 2.95Å; E312-Q314 PolarHBondContact O-N 3.02Å
313L97.9Very high97.8Very high35 Ų3557.1 Ų57.118%0.18330%0.304CS..THydrogen-bonded Turntrans-74.2-0.8172-61.6-169.1000113.8A157 R161 Y309 L310 K311 R315A157-L313 HydrophobicContact CB-CD2 3.91Å; A157-L313 HydrophobicContact CB-CG 4.14Å; R161-L313 VanDerWaalsContact CD-CD2 3.44Å; R161-L313 HydrophobicContact CG-CD2 3.61Å; Y309-L313 HydrophobicContact CD1-CD1 3.93Å; Y309-L313 HydrophobicContact CD1-CG 4.34Å; Y309-L313 HydrophobicContact CE1-CD1 3.38Å; Y309-L313 HydrophobicContact CE1-CG 4.09Å; Y309-L313 WeakPolarHBondContact O-CG 3.43Å; Y309-L313 PolarHBondContact O-N 2.9Å; L310-L313 CarbonylContact O-C 3.52Å; L310-L313 WeakPolarHBondContact O-CA 3.36Å; L310-L313 PolarHBondContact O-N 3.42Å; L310-L313 VanDerWaalsContact O-N 3.12Å; K311-L313 VanDerWaalsContact C-N 3.27Å; K311-L313 PolarHBondContact O-N 2.93Å; L313-R315 HydrophobicContact CB-CB 4.44Å; L313-R315 HydrophobicContact CB-CG 3.99Å; L313-R315 PolarHBondContact O-N 3.47Å
314Q98Very high97.7Very high171 Ų17157.8 Ų57.880%0.79932%0.317SS*.THydrogen-bonded Turntrans56.435.4-173.6-54.7171.625.900112L310 K311 E312L310-Q314 PolarHBondContact O-N 3.45Å; L310-Q314 VanDerWaalsContact O-N 3.12Å; K311-Q314 PolarHBondContact O-N 3.07Å; E312-Q314 PolarHBondContact O-N 3.02Å
315R97.2Very high97.7Very high135 Ų13555.2 Ų55.251%0.50930%0.304SS..  trans-106.9146.7176.9-67.6-178.767.5170.6-0.1110.2L310 L313 A317L310-R315 CarbonylContact C-O 3.45Å; L310-R315 HydrophobicContact CB-CB 4.36Å; L310-R315 HydrophobicContact CD2-CB 3.97Å; L310-R315 PolarHBondContact O-N 3.23Å; L313-R315 HydrophobicContact CB-CB 4.44Å; L313-R315 HydrophobicContact CB-CG 3.99Å; L313-R315 PolarHBondContact O-N 3.47Å; R315-A317 PolarHBondContact O-N 3.08Å
316P95.6Very high97.7Very high104 Ų10458.9 Ų58.968%0.67532%0.319SS*.  trans-66.2132.2177.127.4-33.7000110.6S318 S321P316-S318 VanDerWaalsContact C-N 3.25Å; P316-S318 PolarHBondContact O-N 2.85Å; P316-S321 PolarHBondContact O-OG 3.31Å; P316-S321 VanDerWaalsContact O-OG 3.08Å
317A96.4Very high97.5Very high48 Ų4862.2 Ų62.240%0.39735%0.346SS..  trans-9059.4171.700000110.4L310 R315 L322L310-A317 HydrophobicContact CB-CB 4.42Å; L310-A317 HydrophobicContact CD1-CB 4.23Å; R315-A317 PolarHBondContact O-N 3.08Å; A317-L322 HydrophobicContact CB-CD2 4.39Å
318S96.4Very high97.3Very high51 Ų5162.9 Ų62.936%0.35735%0.346SS..  trans-70.7159.9174.266.80000111.7P316 E320 S321 L322P316-S318 VanDerWaalsContact C-N 3.25Å; P316-S318 PolarHBondContact O-N 2.85Å; S318-E320 VanDerWaalsContact C-N 3.33Å; S318-E320 PolarHBondContact O-N 2.85Å; S318-S321 WeakPolarHBondContact CA-OG 3.41Å; S318-S321 PolarHBondContact N-OG 3.42Å; S318-S321 PolarHBondContact O-N 3.45Å; S318-S321 PolarHBondContact O-OG 3.17Å; S318-S321 WeakPolarHBondContact OG-CB 3.43Å; S318-S321 PolarHBondContact OG-N 2.92Å; S318-S321 PolarHBondContact OG-OG 2.95Å; S318-L322 VanDerWaalsContact O-CG 3.29Å; S318-L322 WeakPolarHBondContact O-CG 3.34Å; S318-L322 PolarHBondContact O-N 3.47Å
319G95.7Very high97.3Very high51 Ų5162.9 Ų62.953%0.52635%0.346SS..Hα-helixtrans-51.1-51.2174.400000112.1S321 L322 E323G319-S321 PolarHBondContact O-N 3.34Å; G319-L322 PolarHBondContact O-N 2.85Å; G319-L322 VanDerWaalsContact O-N 3.1Å; G319-E323 WeakPolarHBondContact O-CG 3.39Å; G319-E323 PolarHBondContact O-N 3.24Å
320E97.6Very high97.1Very high167 Ų16764.7 Ų64.778%0.7836%0.362SS*.Hα-helixtrans-56.8-45.6178.6-65176.2-178.600113.1S318 L322 E323 A324S318-E320 VanDerWaalsContact C-N 3.33Å; S318-E320 PolarHBondContact O-N 2.85Å; E320-L322 VanDerWaalsContact C-N 3.29Å; E320-L322 PolarHBondContact O-N 3.27Å; E320-E323 PolarHBondContact O-N 3Å; E320-A324 WeakPolarHBondContact O-CB 3.27Å; E320-A324 PolarHBondContact O-N 3.31Å
321S97.6Very high96.9Very high25 Ų2564.8 Ų64.818%0.17536%0.364CS..Hα-helixtrans-67-30.3178.7550000113.6P316 S318 G319 L325P316-S321 PolarHBondContact O-OG 3.31Å; P316-S321 VanDerWaalsContact O-OG 3.08Å; S318-S321 WeakPolarHBondContact CA-OG 3.41Å; S318-S321 PolarHBondContact N-OG 3.42Å; S318-S321 PolarHBondContact O-N 3.45Å; S318-S321 PolarHBondContact O-OG 3.17Å; S318-S321 WeakPolarHBondContact OG-CB 3.43Å; S318-S321 PolarHBondContact OG-N 2.92Å; S318-S321 PolarHBondContact OG-OG 2.95Å; G319-S321 PolarHBondContact O-N 3.34Å; S321-L325 PolarHBondContact O-N 2.92Å
322L98.3Very high96.9Very high22 Ų2258.8 Ų58.812%0.11534%0.338CS..Hα-helixtrans-76.1-40.3177.1-66.3173.9000110.7K303 F306 L310 A317 S318 G319 E320 L325 Y326K303-L322 HydrophobicContact CG-CB 4.27Å; F306-L322 HydrophobicContact CB-CD2 3.55Å; L310-L322 HydrophobicContact CD1-CD2 4.09Å; A317-L322 HydrophobicContact CB-CD2 4.39Å; S318-L322 VanDerWaalsContact O-CG 3.29Å; S318-L322 WeakPolarHBondContact O-CG 3.34Å; S318-L322 PolarHBondContact O-N 3.47Å; G319-L322 PolarHBondContact O-N 2.85Å; G319-L322 VanDerWaalsContact O-N 3.1Å; E320-L322 VanDerWaalsContact C-N 3.29Å; E320-L322 PolarHBondContact O-N 3.27Å; L322-L325 PolarHBondContact O-N 3.3Å; L322-Y326 WeakPolarHBondContact O-CB 3.25Å; L322-Y326 PolarHBondContact O-N 3.44Å
323E97.6Very high97Very high88 Ų8857.5 Ų57.541%0.41133%0.333SS..Hα-helixtrans-61.9-42.6172-65.4-48.3144.700111.8K303 G319 E320 L325 Y326 A327K303-E323 WeakPolarHBondContact CE-OE1 3.28Å; K303-E323 IonicContact NZ-OE1 2.74Å; K303-E323 PolarHBondContact NZ-OE1 3.24Å; K303-E323 IonicContact NZ-OE2 3.9Å; G319-E323 WeakPolarHBondContact O-CG 3.39Å; G319-E323 PolarHBondContact O-N 3.24Å; E320-E323 PolarHBondContact O-N 3Å; E323-L325 VanDerWaalsContact C-N 3.35Å; E323-L325 PolarHBondContact O-N 3.22Å; E323-Y326 WeakPolarHBondContact O-CB 3.5Å; E323-Y326 PolarHBondContact O-N 3.45Å; E323-A327 PolarHBondContact O-N 3.27Å
324A97.2Very high97Very high59 Ų5955.9 Ų55.949%0.48832%0.324SS..Hα-helixtrans-60.5-43.9178.200000111.9E320 A327 E328E320-A324 WeakPolarHBondContact O-CB 3.27Å; E320-A324 PolarHBondContact O-N 3.31Å; A324-A327 PolarHBondContact O-N 2.85Å; A324-E328 VanDerWaalsContact O-CB 3.3Å; A324-E328 WeakPolarHBondContact O-CB 3.26Å; A324-E328 PolarHBondContact O-N 3.39Å
325L98.3Very high97Very high6 Ų647.7 Ų47.73%0.03129%0.286CS..Hα-helixtrans-66.4-37.7175.1-76.1172.3000112.3F306 L310 S321 L322 E323 E328 V329F306-L325 HydrophobicContact CB-CB 4.46Å; F306-L325 HydrophobicContact CB-CD1 3.75Å; F306-L325 HydrophobicContact CD1-CB 4.21Å; F306-L325 HydrophobicContact CD1-CD1 4.36Å; F306-L325 HydrophobicContact CD2-CB 3.82Å; F306-L325 HydrophobicContact CE1-CB 4.45Å; F306-L325 HydrophobicContact CE2-CB 4.08Å; F306-L325 HydrophobicContact CG-CB 3.9Å; F306-L325 HydrophobicContact CG-CD1 4.01Å; F306-L325 HydrophobicContact CZ-CB 4.39Å; L310-L325 HydrophobicContact CD1-CD1 3.8Å; L310-L325 HydrophobicContact CD2-CD1 3.99Å; L310-L325 HydrophobicContact CG-CD1 3.79Å; S321-L325 PolarHBondContact O-N 2.92Å; L322-L325 PolarHBondContact O-N 3.3Å; E323-L325 VanDerWaalsContact C-N 3.35Å; E323-L325 PolarHBondContact O-N 3.22Å; L325-E328 PolarHBondContact O-N 3.26Å; L325-V329 VanDerWaalsContact O-CG2 3.3Å; L325-V329 WeakPolarHBondContact O-CG2 3.05Å; L325-V329 PolarHBondContact O-N 3.41Å; L325-V329 VanDerWaalsContact O-N 3.08Å
326Y97.2Very high97.1Very high78 Ų7841.3 Ų41.331%0.30626%0.262SS..Hα-helixtrans-61.5-47.2176.4-170.5-94.7000111.3E299 Q302 F306 L322 E323 V329 A330E299-Y326 HydrophobicContact CB-CE2 4.12Å; E299-Y326 HydrophobicContact CG-CD2 4.28Å; E299-Y326 HydrophobicContact CG-CE2 3.85Å; Q302-Y326 HydrophobicContact CB-CD2 4.29Å; Q302-Y326 HydrophobicContact CB-CE2 4.42Å; F306-Y326 HydrophobicContact CE2-CD2 4.1Å; L322-Y326 WeakPolarHBondContact O-CB 3.25Å; L322-Y326 PolarHBondContact O-N 3.44Å; E323-Y326 WeakPolarHBondContact O-CB 3.5Å; E323-Y326 PolarHBondContact O-N 3.45Å; Y326-V329 PolarHBondContact O-N 3.02Å; Y326-A330 PolarHBondContact O-N 3.19Å
327A94.7Very high97.3Very high70 Ų7036.3 Ų36.358%0.57923%0.23SC*.Hα-helixtrans-64.2-41.3176.200000112.3E323 A324 V329 A330E323-A327 PolarHBondContact O-N 3.27Å; A324-A327 PolarHBondContact O-N 2.85Å; A327-V329 VanDerWaalsContact C-N 3.33Å; A327-V329 PolarHBondContact O-N 2.9Å; A327-A330 PolarHBondContact O-N 2.74Å
328E96.1Very high97.4Very high38 Ų3834.1 Ų34.118%0.17821%0.211CC..Hα-helixtrans-59.8-40.9178.4-170.8-165.7144.400112.5S226 P227 R266 A267 A324 L325 F332S226-E328 PolarHBondContact OG-OE1 3.4Å; P227-E328 VanDerWaalsContact CD-OE1 3.29Å; P227-E328 WeakPolarHBondContact CD-OE1 3.33Å; R266-E328 IonicContact CZ-OE1 2.78Å; R266-E328 IonicContact CZ-OE2 3.54Å; R266-E328 IonicContact NE-OE1 3.57Å; R266-E328 PolarHBondContact NE-OE1 3.37Å; R266-E328 IonicContact NE-OE2 2.76Å; R266-E328 VanDerWaalsContact NH2-CD 3.28Å; R266-E328 IonicContact NH2-OE1 3.37Å; R266-E328 PolarHBondContact NH2-OE1 3.43Å; R266-E328 VanDerWaalsContact NH2-OE1 3.17Å; R266-E328 IonicContact NH2-OE2 3.48Å; R266-E328 PolarHBondContact NH2-OE2 2.9Å; A267-E328 HydrophobicContact CB-CG 3.94Å; A267-E328 WeakPolarHBondContact CB-O 3.48Å; A324-E328 VanDerWaalsContact O-CB 3.3Å; A324-E328 WeakPolarHBondContact O-CB 3.26Å; A324-E328 PolarHBondContact O-N 3.39Å; L325-E328 PolarHBondContact O-N 3.26Å; E328-F332 WeakPolarHBondContact O-CD2 3.47Å
329V97.9Very high97.5Very high0 Ų031.7 Ų31.70%019%0.194CC..Hα-helixtrans-77.4-30-176171.70000112.7A267 I270 A271 F274 F306 L325 Y326 A327 G331 F332 V333A267-V329 HydrophobicContact CB-CG2 4.25Å; I270-V329 HydrophobicContact CB-CG2 4.14Å; I270-V329 HydrophobicContact CD1-CG2 4.48Å; I270-V329 HydrophobicContact CG2-CG1 4.32Å; I270-V329 HydrophobicContact CG2-CG2 3.9Å; A271-V329 HydrophobicContact CB-CG1 3.94Å; F274-V329 HydrophobicContact CD2-CG1 4.11Å; F274-V329 HydrophobicContact CE2-CG1 4.24Å; F306-V329 HydrophobicContact CE1-CG2 4.18Å; F306-V329 HydrophobicContact CZ-CG2 4.2Å; L325-V329 VanDerWaalsContact O-CG2 3.3Å; L325-V329 WeakPolarHBondContact O-CG2 3.05Å; L325-V329 PolarHBondContact O-N 3.41Å; L325-V329 VanDerWaalsContact O-N 3.08Å; Y326-V329 PolarHBondContact O-N 3.02Å; A327-V329 VanDerWaalsContact C-N 3.33Å; A327-V329 PolarHBondContact O-N 2.9Å; V329-G331 PolarHBondContact O-N 3.3Å; V329-F332 PolarHBondContact O-N 2.6Å; V329-V333 HydrophobicContact CG1-CG2 4.31Å; V329-V333 PolarHBondContact O-N 2.97Å
330A95.3Very high97.6Very high43 Ų4329.6 Ų29.636%0.35517%0.171SC..Hα-helixtrans-55-44.9-169.500000114.2Y326 A327 F332 V333 P334Y326-A330 PolarHBondContact O-N 3.19Å; A327-A330 PolarHBondContact O-N 2.74Å; A330-F332 VanDerWaalsContact C-N 3.27Å; A330-F332 PolarHBondContact O-N 3.02Å; A330-V333 PolarHBondContact O-N 2.98Å; A330-P334 WeakPolarHBondContact O-CD 3.46Å
331G94.5Very high97.7Very high6 Ų621.7 Ų21.76%0.06213%0.133CC..THydrogen-bonded Turntrans-70.4-21.4179.400000114.1V329 P334 I335V329-G331 PolarHBondContact O-N 3.3Å; G331-P334 WeakPolarHBondContact O-CD 3.4Å; G331-P334 WeakPolarHBondContact O-CG 3.37Å; G331-I335 WeakPolarHBondContact O-CD1 3.41Å; G331-I335 WeakPolarHBondContact O-CG1 3.4Å
332F98.5Very high97.8Very high0 Ų020.5 Ų20.50%013%0.125CC..Hα-helixtrans-84.1-22.2179.7-74.4-94.4000113.2F220 L221 S224 Y265 A267 F268 A271 E328 V329 A330 I335 T336F220-F332 AromaticContact CE1-CD2 3.86Å; F220-F332 HydrophobicContact CE1-CD2 3.86Å; F220-F332 HydrophobicContact CE1-CE1 4.26Å; F220-F332 AromaticContact CE1-CE2 3.57Å; F220-F332 HydrophobicContact CE1-CE2 3.57Å; F220-F332 HydrophobicContact CE1-CG 4.35Å; F220-F332 AromaticContact CE1-CZ 3.79Å; F220-F332 HydrophobicContact CE1-CZ 3.79Å; F220-F332 HydrophobicContact CZ-CD2 4.12Å; F220-F332 HydrophobicContact CZ-CE2 4.01Å; L221-F332 HydrophobicContact CD2-CD1 4.22Å; L221-F332 HydrophobicContact CD2-CE1 3.44Å; L221-F332 VanDerWaalsContact CD2-CE1 3.44Å; L221-F332 HydrophobicContact CD2-CZ 4.06Å; S224-F332 WeakPolarHBondContact OG-CE2 3.39Å; S224-F332 WeakPolarHBondContact OG-CZ 3.26Å; Y265-F332 VanDerWaalsContact CB-CE1 3.42Å; Y265-F332 HydrophobicContact CD1-CZ 4.02Å; Y265-F332 AromaticContact CD2-CE1 3.87Å; Y265-F332 HydrophobicContact CD2-CE1 3.87Å; Y265-F332 HydrophobicContact CD2-CZ 4.17Å; Y265-F332 AromaticContact CG-CE1 3.68Å; Y265-F332 HydrophobicContact CG-CE1 3.68Å; Y265-F332 AromaticContact CG-CZ 3.62Å; Y265-F332 HydrophobicContact CG-CZ 3.62Å; A267-F332 HydrophobicContact CB-CB 4.32Å; A267-F332 HydrophobicContact CB-CD1 4.42Å; A267-F332 HydrophobicContact CB-CD2 3.31Å; A267-F332 HydrophobicContact CB-CE2 3.57Å; A267-F332 HydrophobicContact CB-CG 3.77Å; A267-F332 HydrophobicContact CB-CZ 4.24Å; F268-F332 HydrophobicContact CB-CD1 3.67Å; F268-F332 HydrophobicContact CB-CE1 4.08Å; F268-F332 HydrophobicContact CD2-CD1 4.21Å; F268-F332 HydrophobicContact CG-CD1 4.45Å; A271-F332 HydrophobicContact CB-CB 3.61Å; E328-F332 WeakPolarHBondContact O-CD2 3.47Å; V329-F332 PolarHBondContact O-N 2.6Å; A330-F332 VanDerWaalsContact C-N 3.27Å; A330-F332 PolarHBondContact O-N 3.02Å; F332-I335 HydrophobicContact CD1-CD1 4.42Å; F332-I335 WeakPolarHBondContact O-CB 3.42Å; F332-I335 PolarHBondContact O-N 3.3Å; F332-T336 VanDerWaalsContact O-CG2 3.26Å; F332-T336 WeakPolarHBondContact O-CG2 3.44Å; F332-T336 PolarHBondContact O-N 3.28Å
333V98.6Very high97.7Very high11 Ų1120.6 Ų20.67%0.06712%0.124CC..Hα-helixtrans-53.4-51.5176.6174.50000112.9A271 N275 F296 V329 A330 N337A271-V333 HydrophobicContact CB-CG2 4.11Å; N275-V333 PolarHBondContact ND2-O 2.63Å; F296-V333 HydrophobicContact CE2-CG1 3.78Å; F296-V333 HydrophobicContact CE2-CG2 4.26Å; F296-V333 HydrophobicContact CZ-CG1 3.92Å; F296-V333 HydrophobicContact CZ-CG2 3.8Å; V329-V333 HydrophobicContact CG1-CG2 4.31Å; V329-V333 PolarHBondContact O-N 2.97Å; A330-V333 PolarHBondContact O-N 2.98Å; V333-N337 PolarHBondContact O-ND2 2.59Å
334P98.5Very high97.7Very high0 Ų016.4 Ų16.40%010%0.104CC..Hα-helixtrans-63.7-41.1172.122.8-32.8000111.8A330 G331 T336 N337 F338 Y368 N371 I375A330-P334 WeakPolarHBondContact O-CD 3.46Å; G331-P334 WeakPolarHBondContact O-CD 3.4Å; G331-P334 WeakPolarHBondContact O-CG 3.37Å; P334-T336 VanDerWaalsContact C-N 3.33Å; P334-T336 PolarHBondContact O-N 3.32Å; P334-N337 WeakPolarHBondContact O-CB 3.44Å; P334-N337 PolarHBondContact O-N 2.7Å; P334-F338 PolarHBondContact O-N 3.11Å; P334-Y368 HydrophobicContact CB-CD2 3.7Å; P334-Y368 HydrophobicContact CB-CE2 4.17Å; P334-Y368 VanDerWaalsContact O-CD2 3.27Å; P334-Y368 WeakPolarHBondContact O-CD2 3.47Å; P334-N371 HydrophobicContact CB-CB 3.95Å; P334-N371 HydrophobicContact CG-CB 4.26Å; P334-I375 HydrophobicContact CB-CD1 3.99Å; P334-I375 HydrophobicContact CB-CG1 4.48Å; P334-I375 HydrophobicContact CG-CD1 3.69Å; P334-I375 HydrophobicContact CG-CG1 3.68Å
335I98.8Very high97.8Very high0 Ų013.6 Ų13.60%08%0.081CC..Hα-helixtrans-58.9-41.5-175-64176.6000112.3V173 V217 F220 L221 F268 G331 F332 N337 F338 F339 I375V173-I335 HydrophobicContact CG1-CG2 4.23Å; V217-I335 HydrophobicContact CG1-CD1 4.39Å; V217-I335 HydrophobicContact CG1-CG1 4.29Å; V217-I335 HydrophobicContact CG1-CG2 3.82Å; V217-I335 HydrophobicContact CG2-CG1 4.29Å; F220-I335 HydrophobicContact CB-CD1 4.41Å; F220-I335 HydrophobicContact CD1-CD1 3.18Å; F220-I335 HydrophobicContact CE1-CD1 3.49Å; F220-I335 VanDerWaalsContact CE1-CD1 3.49Å; F220-I335 HydrophobicContact CG-CD1 3.87Å; F220-I335 HydrophobicContact CZ-CD1 4.39Å; L221-I335 HydrophobicContact CD2-CD1 4.09Å; L221-I335 HydrophobicContact CG-CD1 4.46Å; F268-I335 HydrophobicContact CD2-CG2 4.15Å; F268-I335 HydrophobicContact CE2-CG2 4.08Å; G331-I335 WeakPolarHBondContact O-CD1 3.41Å; G331-I335 WeakPolarHBondContact O-CG1 3.4Å; F332-I335 HydrophobicContact CD1-CD1 4.42Å; F332-I335 WeakPolarHBondContact O-CB 3.42Å; F332-I335 PolarHBondContact O-N 3.3Å; I335-N337 VanDerWaalsContact C-N 3.32Å; I335-N337 PolarHBondContact O-N 3.48Å; I335-F338 PolarHBondContact O-N 3.39Å; I335-F339 WeakPolarHBondContact O-CB 3.38Å; I335-F339 PolarHBondContact O-N 3.34Å; I335-I375 HydrophobicContact CD1-CD1 4.35Å; I335-I375 HydrophobicContact CD1-CG1 4.49Å; I335-I375 HydrophobicContact CG1-CD1 3.68Å; I335-I375 HydrophobicContact CG1-CG1 4.23Å
336T98.7Very high97.7Very high0 Ų013.5 Ų13.50%08%0.081CC..Hα-helixtrans-70.2-32.417984.40000111.7F268 A271 N272 N275 F332 P334 F339 W340F268-T336 HydrophobicContact CD1-CG2 4.35Å; F268-T336 HydrophobicContact CD2-CG2 3.79Å; F268-T336 HydrophobicContact CE1-CG2 4.33Å; F268-T336 HydrophobicContact CE2-CG2 3.77Å; F268-T336 HydrophobicContact CG-CG2 4.09Å; F268-T336 HydrophobicContact CZ-CG2 4.05Å; F268-T336 WeakPolarHBondContact O-CG2 3.48Å; A271-T336 HydrophobicContact CB-CG2 3.92Å; N272-T336 HydrophobicContact CB-CG2 3.92Å; N275-T336 PolarHBondContact ND2-OG1 3.17Å; F332-T336 VanDerWaalsContact O-CG2 3.26Å; F332-T336 WeakPolarHBondContact O-CG2 3.44Å; F332-T336 PolarHBondContact O-N 3.28Å; P334-T336 VanDerWaalsContact C-N 3.33Å; P334-T336 PolarHBondContact O-N 3.32Å; T336-F339 WeakPolarHBondContact O-CB 3.21Å; T336-F339 PolarHBondContact O-N 2.99Å; T336-W340 PolarHBondContact O-N 2.98Å; T336-W340 VanDerWaalsContact O-N 3.08Å
337N98.8Very high97.6Very high0 Ų011.2 Ų11.20%07%0.073CC..Hα-helixtrans-66.1-43.1172.1-74.8-55.8000111.4N275 V333 P334 I335 F339 W340 A341 R364 L367N275-N337 PolarHBondContact ND2-ND2 3.16Å; N275-N337 PolarHBondContact OD1-ND2 3.03Å; V333-N337 PolarHBondContact O-ND2 2.59Å; P334-N337 WeakPolarHBondContact O-CB 3.44Å; P334-N337 PolarHBondContact O-N 2.7Å; I335-N337 VanDerWaalsContact C-N 3.32Å; I335-N337 PolarHBondContact O-N 3.48Å; N337-F339 VanDerWaalsContact C-N 3.34Å; N337-F339 PolarHBondContact O-N 3.15Å; N337-W340 PolarHBondContact O-N 2.88Å; N337-A341 VanDerWaalsContact O-CB 3.22Å; N337-A341 WeakPolarHBondContact O-CB 3.47Å; N337-A341 PolarHBondContact O-N 3.3Å; N337-R364 WeakPolarHBondContact CB-O 3.44Å; N337-R364 WeakPolarHBondContact OD1-CD 3.42Å; N337-R364 PolarHBondContact OD1-NH1 3.49Å; N337-L367 HydrophobicContact CB-CB 4.25Å
338F98.9Very high97.6Very high1 Ų112.2 Ų12.20%0.0046%0.064CC..Hα-helixtrans-58.5-46173.2178-99.7000111.9V177 V210 E213 L214 V217 P334 I335 W340 A341 V342 F365 Y368V177-F338 HydrophobicContact CG1-CE1 3.91Å; V177-F338 HydrophobicContact CG1-CZ 4.42Å; V210-F338 HydrophobicContact CG1-CE2 4.35Å; V210-F338 HydrophobicContact CG1-CZ 4.19Å; E213-F338 HydrophobicContact CB-CD2 4.28Å; E213-F338 HydrophobicContact CB-CE2 3.69Å; E213-F338 HydrophobicContact CB-CZ 4.24Å; L214-F338 HydrophobicContact CB-CE1 4.15Å; L214-F338 HydrophobicContact CB-CZ 3.95Å; L214-F338 HydrophobicContact CD1-CE1 4.25Å; V217-F338 HydrophobicContact CG2-CD1 4.07Å; V217-F338 HydrophobicContact CG2-CE1 4.45Å; V217-F338 HydrophobicContact CG2-CG 4.41Å; P334-F338 PolarHBondContact O-N 3.11Å; I335-F338 PolarHBondContact O-N 3.39Å; F338-W340 PolarHBondContact O-N 3.43Å; F338-A341 WeakPolarHBondContact O-CB 3.27Å; F338-A341 PolarHBondContact O-N 2.98Å; F338-V342 HydrophobicContact CE1-CG2 4.17Å; F338-V342 HydrophobicContact CE2-CG2 4.15Å; F338-V342 HydrophobicContact CZ-CG2 3.93Å; F338-V342 WeakPolarHBondContact O-CG2 3.4Å; F338-V342 PolarHBondContact O-N 3.45Å; F338-F365 HydrophobicContact CD2-CD1 4.44Å; F338-F365 AromaticContact CD2-CE1 3.82Å; F338-F365 HydrophobicContact CD2-CE1 3.82Å; F338-F365 AromaticContact CE2-CE1 3.95Å; F338-F365 HydrophobicContact CE2-CE1 3.95Å; F338-Y368 HydrophobicContact CB-CD2 3.56Å; F338-Y368 HydrophobicContact CB-CE2 3.82Å; F338-Y368 HydrophobicContact CB-CG 3.92Å; F338-Y368 HydrophobicContact CD2-CD1 4.22Å; F338-Y368 HydrophobicContact CD2-CE1 4.1Å; F338-Y368 HydrophobicContact CD2-CE2 4.36Å; F338-Y368 HydrophobicContact CD2-CG 4.41Å; F338-Y368 HydrophobicContact CG-CD2 4.41Å; F338-Y368 HydrophobicContact CG-CE2 4.3Å
339F98.8Very high97.4Very high0 Ų013.7 Ų13.70%07%0.071CC..Hα-helixtrans-55.1-52.9178.5178.8-95.7000112Y172 V173 A176 V177 W180 F268 I335 T336 N337 V342 W343Y172-F339 HydrophobicContact CE1-CE2 4.07Å; Y172-F339 AromaticContact CE1-CZ 3.72Å; Y172-F339 HydrophobicContact CE1-CZ 3.72Å; V173-F339 HydrophobicContact CB-CD2 4.46Å; V173-F339 HydrophobicContact CG1-CD2 3.82Å; V173-F339 HydrophobicContact CG1-CE2 4.45Å; A176-F339 HydrophobicContact CB-CE2 3.75Å; A176-F339 HydrophobicContact CB-CZ 4.24Å; V177-F339 HydrophobicContact CG2-CD2 3.73Å; V177-F339 HydrophobicContact CG2-CE2 4.39Å; W180-F339 HydrophobicContact CH2-CD1 4.22Å; W180-F339 HydrophobicContact CH2-CD2 4.35Å; W180-F339 AromaticContact CH2-CE1 3.54Å; W180-F339 HydrophobicContact CH2-CE1 3.54Å; W180-F339 AromaticContact CH2-CE2 3.71Å; W180-F339 HydrophobicContact CH2-CE2 3.71Å; W180-F339 AromaticContact CH2-CZ 3.25Å; W180-F339 HydrophobicContact CH2-CZ 3.25Å; W180-F339 HydrophobicContact CZ2-CZ 4.28Å; W180-F339 HydrophobicContact CZ3-CD1 4.19Å; W180-F339 AromaticContact CZ3-CD2 3.94Å; W180-F339 HydrophobicContact CZ3-CD2 3.94Å; W180-F339 AromaticContact CZ3-CE1 3.94Å; W180-F339 HydrophobicContact CZ3-CE1 3.94Å; W180-F339 AromaticContact CZ3-CE2 3.7Å; W180-F339 HydrophobicContact CZ3-CE2 3.7Å; W180-F339 HydrophobicContact CZ3-CG 4.2Å; W180-F339 AromaticContact CZ3-CZ 3.7Å; W180-F339 HydrophobicContact CZ3-CZ 3.7Å; F268-F339 HydrophobicContact CE2-CB 4.33Å; F268-F339 HydrophobicContact CE2-CG 4.41Å; F268-F339 HydrophobicContact CZ-CB 4.2Å; F268-F339 HydrophobicContact CZ-CD1 4Å; F268-F339 HydrophobicContact CZ-CD2 4.27Å; F268-F339 HydrophobicContact CZ-CE1 4.4Å; F268-F339 AromaticContact CZ-CG 3.92Å; F268-F339 HydrophobicContact CZ-CG 3.92Å; I335-F339 WeakPolarHBondContact O-CB 3.38Å; I335-F339 PolarHBondContact O-N 3.34Å; T336-F339 WeakPolarHBondContact O-CB 3.21Å; T336-F339 PolarHBondContact O-N 2.99Å; N337-F339 VanDerWaalsContact C-N 3.34Å; N337-F339 PolarHBondContact O-N 3.15Å; F339-V342 PolarHBondContact O-N 3.45Å; F339-W343 PolarHBondContact O-N 3.18Å
340W98.7Very high97Very high8 Ų816.7 Ų16.73%0.039%0.087CC..Hα-helixtrans-72.8-26.8178.8-66.7124.2000113.6N233 D234 Y260 N272 T336 N337 F338 W343 G344 F360 R364N233-W340 WeakPolarHBondContact O-CZ2 3.42Å; D234-W340 HydrophobicContact CB-CH2 4Å; D234-W340 HydrophobicContact CB-CZ2 3.86Å; D234-W340 WeakPolarHBondContact OD1-CZ2 3.09Å; Y260-W340 AromaticContact CD2-CH2 3.96Å; Y260-W340 HydrophobicContact CD2-CH2 3.96Å; Y260-W340 AromaticContact CE2-CH2 3.93Å; Y260-W340 HydrophobicContact CE2-CH2 3.93Å; Y260-W340 HydrophobicContact CE2-CZ3 4.26Å; Y260-W340 HydrophobicContact CG-CH2 4.31Å; N272-W340 PolarHBondContact OD1-NE1 3.17Å; T336-W340 PolarHBondContact O-N 2.98Å; T336-W340 VanDerWaalsContact O-N 3.08Å; N337-W340 PolarHBondContact O-N 2.88Å; F338-W340 PolarHBondContact O-N 3.43Å; W340-W343 HydrophobicContact CE3-CB 3.97Å; W340-W343 HydrophobicContact CE3-CD2 4.05Å; W340-W343 HydrophobicContact CE3-CE3 4.23Å; W340-W343 AromaticContact CE3-CG 3.95Å; W340-W343 HydrophobicContact CE3-CG 3.95Å; W340-W343 HydrophobicContact CZ3-CD2 4.24Å; W340-W343 HydrophobicContact CZ3-CG 4.12Å; W340-W343 PolarHBondContact O-N 2.92Å; W340-G344 PolarHBondContact O-N 2.98Å; W340-F360 HydrophobicContact CB-CE1 4.19Å; W340-F360 HydrophobicContact CB-CZ 4.13Å; W340-F360 WeakPolarHBondContact O-CE1 3.44Å; W340-R364 HydrophobicContact CB-CG 4.42Å
341A98.9Very high96.5Very high0 Ų015.8 Ų15.80%08%0.078CC..Hα-helixtrans-62.4-46.4173.900000111.4N337 F338 G344 L345 A361 R364 F365N337-A341 VanDerWaalsContact O-CB 3.22Å; N337-A341 WeakPolarHBondContact O-CB 3.47Å; N337-A341 PolarHBondContact O-N 3.3Å; F338-A341 WeakPolarHBondContact O-CB 3.27Å; F338-A341 PolarHBondContact O-N 2.98Å; A341-G344 PolarHBondContact O-N 3.44Å; A341-L345 PolarHBondContact O-N 3.45Å; A341-A361 WeakPolarHBondContact O-CB 3.48Å; A341-R364 HydrophobicContact CB-CB 3.58Å; A341-F365 HydrophobicContact CB-CB 4.44Å; A341-F365 HydrophobicContact CB-CD1 3.82Å; A341-F365 HydrophobicContact CB-CD2 3.52Å; A341-F365 HydrophobicContact CB-CE1 3.84Å; A341-F365 HydrophobicContact CB-CE2 3.55Å; A341-F365 HydrophobicContact CB-CG 3.65Å; A341-F365 HydrophobicContact CB-CZ 3.71Å
342V98.8Very high95.9Very high1 Ų121.6 Ų21.61%0.00611%0.114CC..Hα-helixtrans-66.3-40.4176.8179.80000111.5V177 W180 I181 V210 F338 F339 G344 L345 L346 F365V177-V342 HydrophobicContact CG1-CB 4.16Å; V177-V342 HydrophobicContact CG1-CG1 3.91Å; V177-V342 HydrophobicContact CG1-CG2 4.01Å; W180-V342 HydrophobicContact CB-CG1 4.29Å; I181-V342 HydrophobicContact CD1-CG1 4.39Å; I181-V342 HydrophobicContact CG1-CG1 3.76Å; V210-V342 HydrophobicContact CG1-CG2 3.92Å; F338-V342 HydrophobicContact CE1-CG2 4.17Å; F338-V342 HydrophobicContact CE2-CG2 4.15Å; F338-V342 HydrophobicContact CZ-CG2 3.93Å; F338-V342 WeakPolarHBondContact O-CG2 3.4Å; F338-V342 PolarHBondContact O-N 3.45Å; F339-V342 PolarHBondContact O-N 3.45Å; V342-G344 VanDerWaalsContact C-N 3.27Å; V342-G344 PolarHBondContact O-N 3.02Å; V342-L345 PolarHBondContact O-N 2.85Å; V342-L346 PolarHBondContact O-N 2.83Å; V342-F365 HydrophobicContact CG2-CZ 4.05Å
343W97.7Very high95.1Very high23 Ų2324.7 Ų24.79%0.08713%0.13CC..Hα-helixtrans-57.2-43.4171.7176.686.5000111.5M64 W180 Y260 F339 W340 L345 L346 Q347 F357 F360M64-W343 HydrophobicContact CE-CH2 3.89Å; M64-W343 HydrophobicContact CE-CZ2 3.83Å; W180-W343 HydrophobicContact CD2-CB 4.37Å; W180-W343 AromaticContact CE2-CD1 3.88Å; W180-W343 HydrophobicContact CE3-CB 3.88Å; W180-W343 HydrophobicContact CH2-CB 3.89Å; W180-W343 AromaticContact CH2-CD1 3.88Å; W180-W343 HydrophobicContact CH2-CG 4.21Å; W180-W343 HydrophobicContact CZ2-CB 4.42Å; W180-W343 AromaticContact CZ2-CD1 3.63Å; W180-W343 HydrophobicContact CZ2-CG 4.38Å; W180-W343 HydrophobicContact CZ3-CB 3.63Å; W180-W343 HydrophobicContact CZ3-CG 4.41Å; Y260-W343 PolarHBondContact OH-NE1 2.75Å; Y260-W343 VanDerWaalsContact OH-NE1 3.15Å; F339-W343 PolarHBondContact O-N 3.18Å; W340-W343 HydrophobicContact CE3-CB 3.97Å; W340-W343 HydrophobicContact CE3-CD2 4.05Å; W340-W343 HydrophobicContact CE3-CE3 4.23Å; W340-W343 AromaticContact CE3-CG 3.95Å; W340-W343 HydrophobicContact CE3-CG 3.95Å; W340-W343 HydrophobicContact CZ3-CD2 4.24Å; W340-W343 HydrophobicContact CZ3-CG 4.12Å; W340-W343 PolarHBondContact O-N 2.92Å; W343-L345 PolarHBondContact O-N 3.32Å; W343-L346 PolarHBondContact O-N 3.33Å; W343-Q347 HydrophobicContact CD2-CG 3.7Å; W343-Q347 HydrophobicContact CE3-CG 3.94Å; W343-Q347 HydrophobicContact CG-CG 4.42Å; W343-Q347 HydrophobicContact CH2-CG 3.68Å; W343-Q347 HydrophobicContact CZ2-CG 3.4Å; W343-Q347 VanDerWaalsContact CZ2-CG 3.4Å; W343-Q347 HydrophobicContact CZ3-CG 3.92Å; W343-Q347 WeakPolarHBondContact O-CG 3.31Å; W343-Q347 PolarHBondContact O-N 2.96Å; W343-F357 HydrophobicContact CH2-CD1 4.33Å; W343-F357 AromaticContact CH2-CE1 3.7Å; W343-F357 HydrophobicContact CH2-CE1 3.7Å; W343-F357 HydrophobicContact CZ3-CD1 4.07Å; W343-F357 AromaticContact CZ3-CE1 3.88Å; W343-F357 HydrophobicContact CZ3-CE1 3.88Å; W343-F360 AromaticContact CE3-CE1 3.97Å; W343-F360 HydrophobicContact CE3-CE1 3.97Å; W343-F360 HydrophobicContact CZ3-CE1 4.05Å
344G97.9Very high94.3Very high0 Ų032.2 Ų32.20%017%0.17CC..Hα-helixtrans-60.4-41.6176.700000113.1W340 A341 V342 L346 Q347 F348W340-G344 PolarHBondContact O-N 2.98Å; A341-G344 PolarHBondContact O-N 3.44Å; V342-G344 VanDerWaalsContact C-N 3.27Å; V342-G344 PolarHBondContact O-N 3.02Å; G344-L346 VanDerWaalsContact C-N 3.31Å; G344-L346 PolarHBondContact O-N 3.49Å; G344-Q347 PolarHBondContact O-N 3.48Å; G344-F348 PolarHBondContact O-N 2.98Å
345L98.4Very high93.9Very high0 Ų034.2 Ų34.20%018%0.179CC..Hα-helixtrans-59.5-41.7174.5-65.3-175.5000112.4L184 F191 P192 F194 A341 V342 W343 L358 A361 F365L184-L345 HydrophobicContact CD2-CB 3.78Å; L184-L345 HydrophobicContact CD2-CD1 4.38Å; F191-L345 HydrophobicContact CE1-CD1 3.92Å; F191-L345 HydrophobicContact CZ-CD1 4.05Å; P192-L345 HydrophobicContact CB-CD2 4.13Å; P192-L345 HydrophobicContact CG-CD2 4.41Å; F194-L345 HydrophobicContact CE1-CD2 3.93Å; F194-L345 HydrophobicContact CZ-CD2 4.41Å; A341-L345 PolarHBondContact O-N 3.45Å; V342-L345 PolarHBondContact O-N 2.85Å; W343-L345 PolarHBondContact O-N 3.32Å; L345-L358 HydrophobicContact CD2-CD1 4.28Å; L345-A361 HydrophobicContact CD2-CB 3.63Å; L345-A361 HydrophobicContact CG-CB 4.07Å; L345-F365 HydrophobicContact CD1-CE2 3.72Å; L345-F365 HydrophobicContact CD1-CZ 4.05Å; L345-F365 HydrophobicContact CD2-CE2 4.29Å; L345-F365 HydrophobicContact CG-CE2 3.94Å
346L96.2Very high93.7Very high4 Ų437 Ų372%0.02119%0.194CC..Hα-helixtrans-65.4-47.9175.317662.1000111W180 H183 L184 V342 W343 G344 F348 E349 I350W180-L346 HydrophobicContact CB-CB 4.5Å; W180-L346 HydrophobicContact CB-CD2 3.92Å; W180-L346 HydrophobicContact CG-CD2 3.93Å; H183-L346 HydrophobicContact CB-CD1 4.05Å; H183-L346 HydrophobicContact CB-CD2 4.32Å; L184-L346 HydrophobicContact CB-CD1 4.15Å; V342-L346 PolarHBondContact O-N 2.83Å; W343-L346 PolarHBondContact O-N 3.33Å; G344-L346 VanDerWaalsContact C-N 3.31Å; G344-L346 PolarHBondContact O-N 3.49Å; L346-F348 PolarHBondContact O-N 3.27Å; L346-E349 PolarHBondContact O-N 3.49Å; L346-I350 HydrophobicContact CD1-CD1 3.96Å; L346-I350 HydrophobicContact CD1-CG1 4.42Å; L346-I350 HydrophobicContact CD1-CG2 4.01Å; L346-I350 HydrophobicContact CD2-CD1 4.19Å; L346-I350 HydrophobicContact CG-CD1 3.78Å; L346-I350 HydrophobicContact CG-CG1 4.3Å; L346-I350 WeakPolarHBondContact O-CG1 3.38Å; L346-I350 PolarHBondContact O-N 3.36Å
347Q93.9Very high93.6Very high31 Ų3137.4 Ų37.415%0.14520%0.195CC..Hα-helixtrans-62-32.3-179.3-68.1-47.6-61.200112.9W343 G344 E349 I350 S351 F357W343-Q347 HydrophobicContact CD2-CG 3.7Å; W343-Q347 HydrophobicContact CE3-CG 3.94Å; W343-Q347 HydrophobicContact CG-CG 4.42Å; W343-Q347 HydrophobicContact CH2-CG 3.68Å; W343-Q347 HydrophobicContact CZ2-CG 3.4Å; W343-Q347 VanDerWaalsContact CZ2-CG 3.4Å; W343-Q347 HydrophobicContact CZ3-CG 3.92Å; W343-Q347 WeakPolarHBondContact O-CG 3.31Å; W343-Q347 PolarHBondContact O-N 2.96Å; G344-Q347 PolarHBondContact O-N 3.48Å; Q347-E349 PolarHBondContact O-N 3.28Å; Q347-I350 PolarHBondContact O-N 2.93Å; Q347-S351 WeakPolarHBondContact O-CA 3.47Å; Q347-S351 WeakPolarHBondContact O-CB 3.2Å; Q347-S351 PolarHBondContact O-N 3.45Å; Q347-F357 HydrophobicContact CB-CB 4.06Å; Q347-F357 HydrophobicContact CB-CD1 3.26Å; Q347-F357 HydrophobicContact CB-CD2 3.98Å; Q347-F357 HydrophobicContact CB-CE1 3.59Å; Q347-F357 HydrophobicContact CB-CE2 4.26Å; Q347-F357 HydrophobicContact CB-CG 3.48Å; Q347-F357 VanDerWaalsContact CB-CG 3.48Å; Q347-F357 HydrophobicContact CB-CZ 4.08Å; Q347-F357 HydrophobicContact CG-CD1 4Å; Q347-F357 HydrophobicContact CG-CE1 3.94Å
348F94.8Very high93.5Very high90 Ų9039.1 Ų39.140%0.39520%0.204SC..Hα-helixtrans-56.4-37.7173.6172.2-110.8000112.8G344 L346 F357 L358G344-F348 PolarHBondContact O-N 2.98Å; L346-F348 PolarHBondContact O-N 3.27Å; F348-F357 HydrophobicContact CB-CB 3.84Å; F348-L358 HydrophobicContact CB-CB 4.42Å; F348-L358 HydrophobicContact CD1-CB 4.4Å; F348-L358 HydrophobicContact CD2-CB 3.52Å; F348-L358 HydrophobicContact CE1-CD2 4.34Å; F348-L358 HydrophobicContact CE2-CB 3.77Å; F348-L358 HydrophobicContact CE2-CD2 4.16Å; F348-L358 HydrophobicContact CG-CB 3.85Å; F348-L358 HydrophobicContact CZ-CB 4.32Å; F348-L358 HydrophobicContact CZ-CD2 3.99Å
349E93Very high93.5Very high70 Ų7042.5 Ų42.533%0.32722%0.22SC..Hα-helixtrans-82.4-35.5-179.6-64.7-69.8-179.700113L184 T188 L346 Q347L184-E349 HydrophobicContact CD1-CB 4.35Å; L184-E349 HydrophobicContact CD1-CG 3.53Å; T188-E349 PolarHBondContact OG1-OE1 2.9Å; L346-E349 PolarHBondContact O-N 3.49Å; Q347-E349 PolarHBondContact O-N 3.28Å
350I89.3Confident93.4Very high63 Ų6342.8 Ų42.832%0.32322%0.221SC..Hα-helixtrans-110.5-19.1-167.373.3174.7000115E187 L346 Q347E187-I350 HydrophobicContact CB-CG2 4.04Å; E187-I350 HydrophobicContact CG-CG2 3.69Å; L346-I350 HydrophobicContact CD1-CD1 3.96Å; L346-I350 HydrophobicContact CD1-CG1 4.42Å; L346-I350 HydrophobicContact CD1-CG2 4.01Å; L346-I350 HydrophobicContact CD2-CD1 4.19Å; L346-I350 HydrophobicContact CG-CD1 3.78Å; L346-I350 HydrophobicContact CG-CG1 4.3Å; L346-I350 WeakPolarHBondContact O-CG1 3.38Å; L346-I350 PolarHBondContact O-N 3.36Å; Q347-I350 PolarHBondContact O-N 2.93Å
351S85.7Confident93.4Very high23 Ų2342.4 Ų42.416%0.16122%0.22CC..  trans-81.7129.7-169.7-170.90000111.2Q347 I353 F357Q347-S351 WeakPolarHBondContact O-CA 3.47Å; Q347-S351 WeakPolarHBondContact O-CB 3.2Å; Q347-S351 PolarHBondContact O-N 3.45Å; S351-I353 PolarHBondContact O-N 3.32Å; S351-I353 WeakPolarHBondContact OG-CB 3.34Å; S351-I353 PolarHBondContact OG-N 2.94Å; S351-F357 WeakPolarHBondContact OG-CE2 2.97Å; S351-F357 WeakPolarHBondContact OG-CZ 3.48Å
352P80.1Confident93.4Very high129 Ų12945.1 Ų45.184%0.83823%0.232SC*.  trans-83.13.2172.735.6-36.4000112.9
353I82.4Confident93.4Very high64 Ų6446.6 Ų46.633%0.32824%0.241SC..SBendtrans-81.6136.2-173.4-63.7173.8000109.8M64 S351 F355 F357M64-I353 HydrophobicContact CB-CD1 3.58Å; M64-I353 HydrophobicContact CG-CD1 3.38Å; M64-I353 HydrophobicContact SD-CD1 3.28Å; M64-I353 WeakPolarHBondContact SD-CD1 3.03Å; S351-I353 PolarHBondContact O-N 3.32Å; S351-I353 WeakPolarHBondContact OG-CB 3.34Å; S351-I353 PolarHBondContact OG-N 2.94Å; I353-F355 HydrophobicContact CG2-CB 4.03Å; I353-F355 PolarHBondContact O-N 3.4Å; I353-F357 HydrophobicContact CB-CE2 4.15Å; I353-F357 HydrophobicContact CB-CZ 4.29Å
354D82.9Confident93.4Very high169 Ų16945.6 Ų45.690%0.90424%0.237SC*.SBendtrans-72.876.1174.5-170.320.8000110.6
355F89.2Confident93.5Very high43 Ų4345.6 Ų45.619%0.18924%0.237CC..SBendtrans-148.1133.8178.6-179.8-87.7000108Y281 F289 I353 F357 F360Y281-F355 HydrophobicContact CD1-CE2 4.14Å; Y281-F355 HydrophobicContact CD1-CZ 4.36Å; Y281-F355 HydrophobicContact CE1-CZ 4.46Å; F289-F355 HydrophobicContact CB-CE2 3.98Å; F289-F355 HydrophobicContact CB-CZ 4.28Å; F289-F355 HydrophobicContact CD1-CE1 4.14Å; F289-F355 AromaticContact CD1-CE2 3.59Å; F289-F355 HydrophobicContact CD1-CE2 3.59Å; F289-F355 AromaticContact CD1-CZ 3.37Å; F289-F355 HydrophobicContact CD1-CZ 3.37Å; F289-F355 HydrophobicContact CE1-CE1 4.37Å; F289-F355 AromaticContact CE1-CZ 3.99Å; F289-F355 HydrophobicContact CE1-CZ 3.99Å; F289-F355 HydrophobicContact CG-CE2 4.17Å; F289-F355 HydrophobicContact CG-CZ 4.05Å; I353-F355 HydrophobicContact CG2-CB 4.03Å; I353-F355 PolarHBondContact O-N 3.4Å; F355-F357 VanDerWaalsContact C-N 3.31Å; F355-F357 HydrophobicContact CB-CD2 4.34Å; F355-F357 HydrophobicContact CB-CE2 3.84Å; F355-F357 HydrophobicContact CB-CZ 3.95Å; F355-F357 HydrophobicContact CD1-CB 4.42Å; F355-F357 AromaticContact CD1-CD1 3.43Å; F355-F357 HydrophobicContact CD1-CD1 3.43Å; F355-F357 VanDerWaalsContact CD1-CD1 3.43Å; F355-F357 AromaticContact CD1-CD2 3.98Å; F355-F357 HydrophobicContact CD1-CD2 3.98Å; F355-F357 AromaticContact CD1-CE1 3.47Å; F355-F357 HydrophobicContact CD1-CE1 3.47Å; F355-F357 VanDerWaalsContact CD1-CE1 3.47Å; F355-F357 HydrophobicContact CD1-CE2 4Å; F355-F357 AromaticContact CD1-CG 3.69Å; F355-F357 HydrophobicContact CD1-CG 3.69Å; F355-F357 AromaticContact CD1-CZ 3.76Å; F355-F357 HydrophobicContact CD1-CZ 3.76Å; F355-F357 AromaticContact CE1-CD1 3.76Å; F355-F357 HydrophobicContact CE1-CD1 3.76Å; F355-F357 AromaticContact CE1-CE1 3.95Å; F355-F357 HydrophobicContact CE1-CE1 3.95Å; F355-F357 HydrophobicContact CE1-CG 4.31Å; F355-F357 HydrophobicContact CG-CE1 4.25Å; F355-F357 HydrophobicContact CG-CE2 4.38Å; F355-F357 HydrophobicContact CG-CZ 4.17Å; F355-F357 WeakPolarHBondContact O-CD2 3.5Å; F355-F357 PolarHBondContact O-N 2.93Å; F355-F360 HydrophobicContact CE1-CB 3.56Å; F355-F360 HydrophobicContact CE1-CD2 4.1Å; F355-F360 AromaticContact CE1-CG 3.85Å; F355-F360 HydrophobicContact CE1-CG 3.85Å; F355-F360 HydrophobicContact CZ-CB 4.01Å; F355-F360 AromaticContact CZ-CD2 3.85Å; F355-F360 HydrophobicContact CZ-CD2 3.85Å; F355-F360 HydrophobicContact CZ-CG 4.09Å
356D95.1Very high93.5Very high59 Ų5948.5 Ų48.532%0.31625%0.25SS..  trans-80.782.2-178.5-166.1-24.7000110.5P287 L358 E359 F360P287-D356 HydrophobicContact CB-CB 3.58Å; P287-D356 PolarHBondContact O-N 2.88Å; D356-L358 PolarHBondContact O-N 3.23Å; D356-L358 PolarHBondContact OD1-N 3.41Å; D356-E359 HydrophobicContact CB-CB 4.06Å; D356-E359 VanDerWaalsContact CG-CB 3.49Å; D356-E359 PolarHBondContact O-N 3.07Å; D356-E359 PolarHBondContact OD1-N 3.43Å; D356-F360 PolarHBondContact O-N 2.93Å
357F95.7Very high93.6Very high7 Ų748.7 Ų48.73%0.03125%0.252CS..Hα-helixtrans-64.3-27.3-179.1-71-73.5000113.3W343 Q347 F348 S351 I353 F355 A361W343-F357 HydrophobicContact CH2-CD1 4.33Å; W343-F357 AromaticContact CH2-CE1 3.7Å; W343-F357 HydrophobicContact CH2-CE1 3.7Å; W343-F357 HydrophobicContact CZ3-CD1 4.07Å; W343-F357 AromaticContact CZ3-CE1 3.88Å; W343-F357 HydrophobicContact CZ3-CE1 3.88Å; Q347-F357 HydrophobicContact CB-CB 4.06Å; Q347-F357 HydrophobicContact CB-CD1 3.26Å; Q347-F357 HydrophobicContact CB-CD2 3.98Å; Q347-F357 HydrophobicContact CB-CE1 3.59Å; Q347-F357 HydrophobicContact CB-CE2 4.26Å; Q347-F357 HydrophobicContact CB-CG 3.48Å; Q347-F357 VanDerWaalsContact CB-CG 3.48Å; Q347-F357 HydrophobicContact CB-CZ 4.08Å; Q347-F357 HydrophobicContact CG-CD1 4Å; Q347-F357 HydrophobicContact CG-CE1 3.94Å; F348-F357 HydrophobicContact CB-CB 3.84Å; S351-F357 WeakPolarHBondContact OG-CE2 2.97Å; S351-F357 WeakPolarHBondContact OG-CZ 3.48Å; I353-F357 HydrophobicContact CB-CE2 4.15Å; I353-F357 HydrophobicContact CB-CZ 4.29Å; F355-F357 VanDerWaalsContact C-N 3.31Å; F355-F357 HydrophobicContact CB-CD2 4.34Å; F355-F357 HydrophobicContact CB-CE2 3.84Å; F355-F357 HydrophobicContact CB-CZ 3.95Å; F355-F357 HydrophobicContact CD1-CB 4.42Å; F355-F357 AromaticContact CD1-CD1 3.43Å; F355-F357 HydrophobicContact CD1-CD1 3.43Å; F355-F357 VanDerWaalsContact CD1-CD1 3.43Å; F355-F357 AromaticContact CD1-CD2 3.98Å; F355-F357 HydrophobicContact CD1-CD2 3.98Å; F355-F357 AromaticContact CD1-CE1 3.47Å; F355-F357 HydrophobicContact CD1-CE1 3.47Å; F355-F357 VanDerWaalsContact CD1-CE1 3.47Å; F355-F357 HydrophobicContact CD1-CE2 4Å; F355-F357 AromaticContact CD1-CG 3.69Å; F355-F357 HydrophobicContact CD1-CG 3.69Å; F355-F357 AromaticContact CD1-CZ 3.76Å; F355-F357 HydrophobicContact CD1-CZ 3.76Å; F355-F357 AromaticContact CE1-CD1 3.76Å; F355-F357 HydrophobicContact CE1-CD1 3.76Å; F355-F357 AromaticContact CE1-CE1 3.95Å; F355-F357 HydrophobicContact CE1-CE1 3.95Å; F355-F357 HydrophobicContact CE1-CG 4.31Å; F355-F357 HydrophobicContact CG-CE1 4.25Å; F355-F357 HydrophobicContact CG-CE2 4.38Å; F355-F357 HydrophobicContact CG-CZ 4.17Å; F355-F357 WeakPolarHBondContact O-CD2 3.5Å; F355-F357 PolarHBondContact O-N 2.93Å; F357-A361 WeakPolarHBondContact O-CB 3.42Å; F357-A361 PolarHBondContact O-N 3.29Å
358L97.3Very high93.8Very high36 Ų3647.2 Ų47.219%0.18825%0.245CC..Hα-helixtrans-71.8-44.9176.4-179.960.6000110.4F194 L345 F348 D356 F360 A361 K362F194-L358 HydrophobicContact CD1-CD1 4.26Å; F194-L358 HydrophobicContact CE1-CD1 4.22Å; L345-L358 HydrophobicContact CD2-CD1 4.28Å; F348-L358 HydrophobicContact CB-CB 4.42Å; F348-L358 HydrophobicContact CD1-CB 4.4Å; F348-L358 HydrophobicContact CD2-CB 3.52Å; F348-L358 HydrophobicContact CE1-CD2 4.34Å; F348-L358 HydrophobicContact CE2-CB 3.77Å; F348-L358 HydrophobicContact CE2-CD2 4.16Å; F348-L358 HydrophobicContact CG-CB 3.85Å; F348-L358 HydrophobicContact CZ-CB 4.32Å; F348-L358 HydrophobicContact CZ-CD2 3.99Å; D356-L358 PolarHBondContact O-N 3.23Å; D356-L358 PolarHBondContact OD1-N 3.41Å; L358-F360 VanDerWaalsContact C-N 3.32Å; L358-A361 PolarHBondContact O-N 2.98Å; L358-K362 WeakPolarHBondContact O-CG 3.33Å; L358-K362 PolarHBondContact O-N 3.22Å
359E97.8Very high93.9Very high72 Ų7243.8 Ų43.834%0.33623%0.23SC..Hα-helixtrans-63.7-40.1174.6-169.159-160.100111.3P287 F289 D356 A361 K362 V363P287-E359 HydrophobicContact CB-CB 4.16Å; P287-E359 HydrophobicContact CB-CG 4.14Å; P287-E359 HydrophobicContact CG-CG 4.43Å; F289-E359 HydrophobicContact CE1-CB 4.49Å; F289-E359 HydrophobicContact CZ-CB 4.39Å; F289-E359 HydrophobicContact CZ-CG 4.18Å; D356-E359 HydrophobicContact CB-CB 4.06Å; D356-E359 VanDerWaalsContact CG-CB 3.49Å; D356-E359 PolarHBondContact O-N 3.07Å; D356-E359 PolarHBondContact OD1-N 3.43Å; E359-A361 PolarHBondContact O-N 3.18Å; E359-K362 PolarHBondContact O-N 2.95Å; E359-V363 WeakPolarHBondContact O-CG2 3.5Å; E359-V363 PolarHBondContact O-N 3.41Å
360F98.2Very high94Very high6 Ų644.2 Ų44.23%0.02623%0.23CC..Hα-helixtrans-57.3-47.9172.1174.3-95.4000112.3F279 Y281 F289 W340 W343 F355 D356 L358 K362 V363 R364F279-F360 HydrophobicContact CD1-CE2 4.26Å; F279-F360 HydrophobicContact CE1-CD2 4.26Å; F279-F360 HydrophobicContact CE1-CE2 4.04Å; Y281-F360 HydrophobicContact CE1-CD2 4.35Å; Y281-F360 AromaticContact CE1-CE2 3.96Å; Y281-F360 HydrophobicContact CE1-CE2 3.96Å; F289-F360 HydrophobicContact CD1-CB 4.43Å; F289-F360 HydrophobicContact CE1-CB 3.69Å; F289-F360 HydrophobicContact CE1-CD2 4.48Å; F289-F360 HydrophobicContact CZ-CB 3.9Å; W340-F360 HydrophobicContact CB-CE1 4.19Å; W340-F360 HydrophobicContact CB-CZ 4.13Å; W340-F360 WeakPolarHBondContact O-CE1 3.44Å; W343-F360 AromaticContact CE3-CE1 3.97Å; W343-F360 HydrophobicContact CE3-CE1 3.97Å; W343-F360 HydrophobicContact CZ3-CE1 4.05Å; F355-F360 HydrophobicContact CE1-CB 3.56Å; F355-F360 HydrophobicContact CE1-CD2 4.1Å; F355-F360 AromaticContact CE1-CG 3.85Å; F355-F360 HydrophobicContact CE1-CG 3.85Å; F355-F360 HydrophobicContact CZ-CB 4.01Å; F355-F360 AromaticContact CZ-CD2 3.85Å; F355-F360 HydrophobicContact CZ-CD2 3.85Å; F355-F360 HydrophobicContact CZ-CG 4.09Å; D356-F360 PolarHBondContact O-N 2.93Å; L358-F360 VanDerWaalsContact C-N 3.32Å; F360-K362 PolarHBondContact O-N 3.35Å; F360-V363 PolarHBondContact O-N 3.3Å; F360-R364 HydrophobicContact CD1-CG 4.33Å; F360-R364 HydrophobicContact CD2-CG 4.49Å; F360-R364 HydrophobicContact CE1-CG 3.95Å; F360-R364 HydrophobicContact CE2-CG 4.12Å; F360-R364 HydrophobicContact CZ-CG 3.84Å; F360-R364 WeakPolarHBondContact O-CB 3.49Å; F360-R364 WeakPolarHBondContact O-CG 3.47Å; F360-R364 PolarHBondContact O-N 2.67Å
361A98.7Very high94.3Very high0 Ų043.8 Ų43.80%023%0.229CC..Hα-helixtrans-60.9-44.4177.700000111.5A341 L345 F357 L358 E359 V363 R364 F365A341-A361 WeakPolarHBondContact O-CB 3.48Å; L345-A361 HydrophobicContact CD2-CB 3.63Å; L345-A361 HydrophobicContact CG-CB 4.07Å; F357-A361 WeakPolarHBondContact O-CB 3.42Å; F357-A361 PolarHBondContact O-N 3.29Å; L358-A361 PolarHBondContact O-N 2.98Å; E359-A361 PolarHBondContact O-N 3.18Å; A361-V363 PolarHBondContact O-N 2.97Å; A361-R364 PolarHBondContact O-N 2.95Å; A361-F365 WeakPolarHBondContact O-CD2 3.48Å; A361-F365 PolarHBondContact O-N 3.49Å
362K98.7Very high94.6Very high58 Ų5843.7 Ų43.725%0.25223%0.225SC..Hα-helixtrans-58.5-47.5176.5-74.9172.1179.9173.60112.2F194 L196 L358 E359 F360 R364 F365 H366F194-K362 HydrophobicContact CD1-CG 4.33Å; F194-K362 HydrophobicContact CD2-CD 4.5Å; F194-K362 HydrophobicContact CD2-CG 3.73Å; F194-K362 HydrophobicContact CE1-CG 4.31Å; F194-K362 HydrophobicContact CE2-CB 4.41Å; F194-K362 HydrophobicContact CE2-CG 3.69Å; F194-K362 HydrophobicContact CG-CG 4.06Å; F194-K362 HydrophobicContact CZ-CG 3.99Å; L196-K362 HydrophobicContact CD2-CB 4.02Å; L196-K362 HydrophobicContact CD2-CG 4.25Å; L358-K362 WeakPolarHBondContact O-CG 3.33Å; L358-K362 PolarHBondContact O-N 3.22Å; E359-K362 PolarHBondContact O-N 2.95Å; F360-K362 PolarHBondContact O-N 3.35Å; K362-R364 PolarHBondContact O-N 2.88Å; K362-F365 PolarHBondContact O-N 3.02Å; K362-H366 WeakPolarHBondContact O-CB 3.24Å; K362-H366 PolarHBondContact O-N 3.35Å
363V98.5Very high95.1Very high31 Ų3146.7 Ų46.719%0.18822%0.219CC..Hα-helixtrans-63.8-42.7179.11750000111.1F279 F289 V291 E359 F360 A361 H366 L367F279-V363 HydrophobicContact CE1-CG1 4.37Å; F279-V363 HydrophobicContact CZ-CG1 4.29Å; F289-V363 HydrophobicContact CE2-CB 4.47Å; F289-V363 HydrophobicContact CE2-CG2 4.25Å; F289-V363 HydrophobicContact CZ-CG2 4.35Å; V291-V363 HydrophobicContact CB-CG1 4.19Å; V291-V363 HydrophobicContact CG1-CG1 4.15Å; V291-V363 HydrophobicContact CG2-CG1 3.8Å; E359-V363 WeakPolarHBondContact O-CG2 3.5Å; E359-V363 PolarHBondContact O-N 3.41Å; F360-V363 PolarHBondContact O-N 3.3Å; A361-V363 PolarHBondContact O-N 2.97Å; V363-H366 PolarHBondContact O-N 3.39Å; V363-L367 HydrophobicContact CG1-CD1 4.32Å; V363-L367 WeakPolarHBondContact O-CG 3.35Å; V363-L367 PolarHBondContact O-N 3Å
364R98.7Very high95.5Very high2 Ų245.1 Ų45.11%0.00822%0.216CC..Hα-helixtrans-64.1-42.2175.4-71.9-72.6-170.9173.34.8112.2E276 F279 Y281 N337 W340 A341 F360 A361 K362 L367 Y368E276-R364 IonicContact OE1-CZ 3.41Å; E276-R364 IonicContact OE1-NH1 2.79Å; E276-R364 PolarHBondContact OE1-NH1 2.92Å; E276-R364 IonicContact OE1-NH2 3.59Å; E276-R364 PolarHBondContact OE1-NH2 2.92Å; E276-R364 IonicContact OE2-NH2 2.67Å; E276-R364 PolarHBondContact OE2-NH2 3.42Å; F279-R364 HydrophobicContact CE1-CG 4.5Å; F279-R364 HydrophobicContact CZ-CG 4.18Å; F279-R364 VanDerWaalsContact CZ-CZ 3.48Å; Y281-R364 PolarHBondContact OH-NH2 3.26Å; N337-R364 WeakPolarHBondContact CB-O 3.44Å; N337-R364 WeakPolarHBondContact OD1-CD 3.42Å; N337-R364 PolarHBondContact OD1-NH1 3.49Å; W340-R364 HydrophobicContact CB-CG 4.42Å; A341-R364 HydrophobicContact CB-CB 3.58Å; F360-R364 HydrophobicContact CD1-CG 4.33Å; F360-R364 HydrophobicContact CD2-CG 4.49Å; F360-R364 HydrophobicContact CE1-CG 3.95Å; F360-R364 HydrophobicContact CE2-CG 4.12Å; F360-R364 HydrophobicContact CZ-CG 3.84Å; F360-R364 WeakPolarHBondContact O-CB 3.49Å; F360-R364 WeakPolarHBondContact O-CG 3.47Å; F360-R364 PolarHBondContact O-N 2.67Å; A361-R364 PolarHBondContact O-N 2.95Å; K362-R364 PolarHBondContact O-N 2.88Å; R364-L367 PolarHBondContact O-N 3.07Å; R364-Y368 PolarHBondContact O-N 3.43Å
365F98.7Very high95.9Very high1 Ų137.1 Ų37.10%0.00417%0.173CC..Hα-helixtrans-63.4-41.1173.1-83.3-61.4000112.2F194 L196 V205 V210 F338 A341 V342 L345 A361 K362 L367 Y368 F369F194-F365 HydrophobicContact CE2-CD2 4.25Å; F194-F365 AromaticContact CZ-CD2 3.66Å; F194-F365 HydrophobicContact CZ-CD2 3.66Å; F194-F365 HydrophobicContact CZ-CE2 4.13Å; L196-F365 HydrophobicContact CD1-CB 3.56Å; V205-F365 HydrophobicContact CG1-CD2 4.2Å; V205-F365 HydrophobicContact CG1-CE1 4.44Å; V205-F365 HydrophobicContact CG1-CE2 4.12Å; V205-F365 HydrophobicContact CG1-CG 4.4Å; V205-F365 HydrophobicContact CG1-CZ 4.25Å; V210-F365 HydrophobicContact CG2-CE1 4.25Å; V210-F365 HydrophobicContact CG2-CZ 3.86Å; F338-F365 HydrophobicContact CD2-CD1 4.44Å; F338-F365 AromaticContact CD2-CE1 3.82Å; F338-F365 HydrophobicContact CD2-CE1 3.82Å; F338-F365 AromaticContact CE2-CE1 3.95Å; F338-F365 HydrophobicContact CE2-CE1 3.95Å; A341-F365 HydrophobicContact CB-CB 4.44Å; A341-F365 HydrophobicContact CB-CD1 3.82Å; A341-F365 HydrophobicContact CB-CD2 3.52Å; A341-F365 HydrophobicContact CB-CE1 3.84Å; A341-F365 HydrophobicContact CB-CE2 3.55Å; A341-F365 HydrophobicContact CB-CG 3.65Å; A341-F365 HydrophobicContact CB-CZ 3.71Å; V342-F365 HydrophobicContact CG2-CZ 4.05Å; L345-F365 HydrophobicContact CD1-CE2 3.72Å; L345-F365 HydrophobicContact CD1-CZ 4.05Å; L345-F365 HydrophobicContact CD2-CE2 4.29Å; L345-F365 HydrophobicContact CG-CE2 3.94Å; A361-F365 WeakPolarHBondContact O-CD2 3.48Å; A361-F365 PolarHBondContact O-N 3.49Å; K362-F365 PolarHBondContact O-N 3.02Å; F365-L367 VanDerWaalsContact C-N 3.33Å; F365-L367 PolarHBondContact O-N 3.06Å; F365-Y368 WeakPolarHBondContact O-CB 3.34Å; F365-Y368 PolarHBondContact O-N 3.21Å; F365-F369 HydrophobicContact CB-CD2 4.32Å; F365-F369 HydrophobicContact CB-CE2 4.23Å; F365-F369 HydrophobicContact CD1-CE2 4.04Å; F365-F369 HydrophobicContact CG-CE2 4.49Å; F365-F369 WeakPolarHBondContact O-CD2 3.44Å; F365-F369 PolarHBondContact O-N 2.79Å
366H98.2Very high95.9Very high60 Ų6035.6 Ų35.628%0.27817%0.168SC..Hα-helixtrans-57.9-4717517489.5000110.9L196 E197 K362 V363 Y368 F369 K370L196-H366 HydrophobicContact CD1-CB 4.36Å; E197-H366 PolarHBondContact O-CE1 2.84Å; E197-H366 PolarHBondContact O-ND1 3.46Å; K362-H366 WeakPolarHBondContact O-CB 3.24Å; K362-H366 PolarHBondContact O-N 3.35Å; V363-H366 PolarHBondContact O-N 3.39Å; H366-Y368 VanDerWaalsContact C-N 3.34Å; H366-Y368 PolarHBondContact O-N 3.1Å; H366-F369 PolarHBondContact O-N 3.27Å; H366-K370 VanDerWaalsContact O-CB 3.25Å; H366-K370 WeakPolarHBondContact O-CB 3.25Å; H366-K370 PolarHBondContact O-N 3.24Å
367L98.2Very high95.6Very high9 Ų935.5 Ų35.55%0.04718%0.176CC..Hα-helixtrans-63.8-36.8176-69.2171.2000112.9M278 F279 V291 N337 V363 R364 F365 N371M278-L367 HydrophobicContact CE-CD1 3.74Å; M278-L367 HydrophobicContact CE-CD2 4.2Å; M278-L367 HydrophobicContact SD-CD2 4.31Å; F279-L367 HydrophobicContact CE2-CD1 3.8Å; F279-L367 HydrophobicContact CZ-CD1 3.7Å; V291-L367 HydrophobicContact CG1-CD1 4.49Å; N337-L367 HydrophobicContact CB-CB 4.25Å; V363-L367 HydrophobicContact CG1-CD1 4.32Å; V363-L367 WeakPolarHBondContact O-CG 3.35Å; V363-L367 PolarHBondContact O-N 3Å; R364-L367 PolarHBondContact O-N 3.07Å; F365-L367 VanDerWaalsContact C-N 3.33Å; F365-L367 PolarHBondContact O-N 3.06Å; L367-N371 PolarHBondContact O-N 3.26Å; L367-N371 PolarHBondContact O-ND2 3.37Å
368Y98.4Very high95.2Very high0 Ų038.1 Ų38.10%019%0.186CC..Hα-helixtrans-60.1-56.2172.3166.5-107.7000111.1E213 V217 P334 F338 R364 F365 H366 K370 N371 R372 I375E213-Y368 HydrophobicContact CB-CE1 4.05Å; E213-Y368 WeakPolarHBondContact CB-OH 3.28Å; E213-Y368 HydrophobicContact CG-CE1 3.86Å; E213-Y368 PolarHBondContact OE2-OH 3.18Å; V217-Y368 HydrophobicContact CG2-CE2 4.38Å; P334-Y368 HydrophobicContact CB-CD2 3.7Å; P334-Y368 HydrophobicContact CB-CE2 4.17Å; P334-Y368 VanDerWaalsContact O-CD2 3.27Å; P334-Y368 WeakPolarHBondContact O-CD2 3.47Å; F338-Y368 HydrophobicContact CB-CD2 3.56Å; F338-Y368 HydrophobicContact CB-CE2 3.82Å; F338-Y368 HydrophobicContact CB-CG 3.92Å; F338-Y368 HydrophobicContact CD2-CD1 4.22Å; F338-Y368 HydrophobicContact CD2-CE1 4.1Å; F338-Y368 HydrophobicContact CD2-CE2 4.36Å; F338-Y368 HydrophobicContact CD2-CG 4.41Å; F338-Y368 HydrophobicContact CG-CD2 4.41Å; F338-Y368 HydrophobicContact CG-CE2 4.3Å; R364-Y368 PolarHBondContact O-N 3.43Å; F365-Y368 WeakPolarHBondContact O-CB 3.34Å; F365-Y368 PolarHBondContact O-N 3.21Å; H366-Y368 VanDerWaalsContact C-N 3.34Å; H366-Y368 PolarHBondContact O-N 3.1Å; Y368-K370 PolarHBondContact O-N 3.13Å; Y368-N371 CarbonylContact O-C 3.52Å; Y368-N371 PolarHBondContact O-N 3.44Å; Y368-N371 VanDerWaalsContact O-N 3.13Å; Y368-R372 WeakPolarHBondContact O-CA 3.26Å; Y368-R372 WeakPolarHBondContact O-CB 3.35Å; Y368-R372 PolarHBondContact O-N 3.34Å; Y368-I375 HydrophobicContact CE2-CD1 3.82Å
369F96.8Very high94.8Very high18 Ų1836.4 Ų36.48%0.07918%0.177CC..Hα-helixtrans-63.5-41.2-176.4-75.3-64.7000112.2L196 V198 V203 V205 R209 E213 F365 H366 N371 R372L196-F369 HydrophobicContact CD1-CD2 4.12Å; L196-F369 HydrophobicContact CD1-CE2 4.45Å; V198-F369 HydrophobicContact CG1-CB 4.11Å; V198-F369 HydrophobicContact CG2-CB 3.92Å; V203-F369 HydrophobicContact CG1-CD1 4.01Å; V203-F369 HydrophobicContact CG1-CD2 3.94Å; V203-F369 HydrophobicContact CG1-CE1 3.88Å; V203-F369 HydrophobicContact CG1-CE2 3.82Å; V203-F369 HydrophobicContact CG1-CG 4.06Å; V203-F369 HydrophobicContact CG1-CZ 3.79Å; V205-F369 HydrophobicContact CG2-CE2 3.68Å; V205-F369 HydrophobicContact CG2-CZ 4.34Å; R209-F369 HydrophobicContact CG-CZ 4.17Å; E213-F369 HydrophobicContact CG-CE1 4.05Å; E213-F369 HydrophobicContact CG-CZ 4.16Å; F365-F369 HydrophobicContact CB-CD2 4.32Å; F365-F369 HydrophobicContact CB-CE2 4.23Å; F365-F369 HydrophobicContact CD1-CE2 4.04Å; F365-F369 HydrophobicContact CG-CE2 4.49Å; F365-F369 WeakPolarHBondContact O-CD2 3.44Å; F365-F369 PolarHBondContact O-N 2.79Å; H366-F369 PolarHBondContact O-N 3.27Å; F369-N371 PolarHBondContact O-N 2.93Å; F369-R372 VanDerWaalsContact O-CB 3.26Å; F369-R372 WeakPolarHBondContact O-CB 3.42Å; F369-R372 PolarHBondContact O-N 3.43Å
370K95.2Very high94.2Very high78 Ų7836.9 Ų36.934%0.33918%0.178SC..Hα-helixtrans-56.8-35.5174.5-175.3174.4-176.6173.70113V198 H366 Y368V198-K370 HydrophobicContact CG1-CB 4.11Å; H366-K370 VanDerWaalsContact O-CB 3.25Å; H366-K370 WeakPolarHBondContact O-CB 3.25Å; H366-K370 PolarHBondContact O-N 3.24Å; Y368-K370 PolarHBondContact O-N 3.13Å
371N95.2Very high93.7Very high54 Ų5444 Ų4429%0.28921%0.211SC..Hα-helixtrans-102.6-0.5-179.1-65.5-74.1000113.8P334 L367 Y368 F369 R373 A374P334-N371 HydrophobicContact CB-CB 3.95Å; P334-N371 HydrophobicContact CG-CB 4.26Å; L367-N371 PolarHBondContact O-N 3.26Å; L367-N371 PolarHBondContact O-ND2 3.37Å; Y368-N371 CarbonylContact O-C 3.52Å; Y368-N371 PolarHBondContact O-N 3.44Å; Y368-N371 VanDerWaalsContact O-N 3.13Å; F369-N371 PolarHBondContact O-N 2.93Å; N371-R373 PolarHBondContact O-N 3.34Å; N371-R373 VanDerWaalsContact O-N 3.1Å; N371-A374 WeakPolarHBondContact O-CB 3.47Å; N371-A374 PolarHBondContact O-N 3.16Å
372R93.2Very high92.9Very high21 Ų2147.4 Ų47.48%0.07923%0.229CC..THydrogen-bonded Turntrans-55.9-32.4-176-178.4-178.2-178-89.44.3112.8E213 L216 Y368 F369 A374 I375 C376 L395E213-R372 VanDerWaalsContact CD-NE 3.32Å; E213-R372 IonicContact OE1-CZ 3.49Å; E213-R372 IonicContact OE1-NE 3.52Å; E213-R372 PolarHBondContact OE1-NE 3.25Å; E213-R372 VanDerWaalsContact OE1-NE 3.16Å; E213-R372 IonicContact OE1-NH2 3.46Å; E213-R372 PolarHBondContact OE1-NH2 3.01Å; E213-R372 IonicContact OE2-CZ 3.54Å; E213-R372 IonicContact OE2-NE 2.71Å; E213-R372 PolarHBondContact OE2-NE 2.98Å; E213-R372 IonicContact OE2-NH2 2.69Å; E213-R372 PolarHBondContact OE2-NH2 2.87Å; E213-R372 VanDerWaalsContact OE2-NH2 3.11Å; L216-R372 HydrophobicContact CD2-CG 4.45Å; Y368-R372 WeakPolarHBondContact O-CA 3.26Å; Y368-R372 WeakPolarHBondContact O-CB 3.35Å; Y368-R372 PolarHBondContact O-N 3.34Å; F369-R372 VanDerWaalsContact O-CB 3.26Å; F369-R372 WeakPolarHBondContact O-CB 3.42Å; F369-R372 PolarHBondContact O-N 3.43Å; R372-A374 PolarHBondContact O-N 2.87Å; R372-I375 WeakPolarHBondContact O-CB 3.45Å; R372-I375 PolarHBondContact O-N 3.15Å; R372-C376 PolarHBondContact NH1-SG 3.14Å; R372-C376 PolarHBondContact O-N 3.11Å; R372-L395 PolarHBondContact NH2-O 2.83Å
373R89.8Confident92Very high192 Ų19246.7 Ų46.773%0.72523%0.225SC*.Hα-helixtrans-53.1-28.7177.167.4-176.8-175.7174.90.4113.9N371 C376 A377N371-R373 PolarHBondContact O-N 3.34Å; N371-R373 VanDerWaalsContact O-N 3.1Å; R373-C376 PolarHBondContact O-N 2.79Å; R373-A377 VanDerWaalsContact O-CB 3.28Å; R373-A377 WeakPolarHBondContact O-CB 3.49Å; R373-A377 PolarHBondContact O-N 3.35Å
374A90.8Very high90.8Very high32 Ų3252.1 Ų52.126%0.26425%0.248SC..Hα-helixtrans-66.1-41.8176.700000112N371 R372 Y378N371-A374 WeakPolarHBondContact O-CB 3.47Å; N371-A374 PolarHBondContact O-N 3.16Å; R372-A374 PolarHBondContact O-N 2.87Å; A374-Y378 PolarHBondContact O-N 2.85Å; A374-Y378 VanDerWaalsContact O-N 3.15Å
375I90.9Very high88.9Confident0 Ų054.6 Ų54.60%026%0.263CS..Hα-helixtrans-63.5-48.1174.4-61170.7000109.6L216 F220 P334 I335 Y368 R372 A377 Y378 L379L216-I375 HydrophobicContact CD2-CG2 4.04Å; L216-I375 HydrophobicContact CG-CG2 3.94Å; F220-I375 HydrophobicContact CB-CG2 3.85Å; F220-I375 HydrophobicContact CD2-CB 4.33Å; F220-I375 HydrophobicContact CD2-CG1 4.43Å; F220-I375 HydrophobicContact CD2-CG2 3.88Å; F220-I375 HydrophobicContact CG-CG2 4.13Å; P334-I375 HydrophobicContact CB-CD1 3.99Å; P334-I375 HydrophobicContact CB-CG1 4.48Å; P334-I375 HydrophobicContact CG-CD1 3.69Å; P334-I375 HydrophobicContact CG-CG1 3.68Å; I335-I375 HydrophobicContact CD1-CD1 4.35Å; I335-I375 HydrophobicContact CD1-CG1 4.49Å; I335-I375 HydrophobicContact CG1-CD1 3.68Å; I335-I375 HydrophobicContact CG1-CG1 4.23Å; Y368-I375 HydrophobicContact CE2-CD1 3.82Å; R372-I375 WeakPolarHBondContact O-CB 3.45Å; R372-I375 PolarHBondContact O-N 3.15Å; I375-A377 PolarHBondContact O-N 2.84Å; I375-Y378 PolarHBondContact O-N 3.23Å; I375-L379 HydrophobicContact CG2-CD1 4.06Å; I375-L379 WeakPolarHBondContact O-CG 3.24Å; I375-L379 PolarHBondContact O-N 3.2Å
376C89.4Confident86.6Confident11 Ų1158.1 Ų58.17%0.07430%0.3CS..Hα-helixtrans-63.2-41.5-179.1-61.10000112.3R372 R373 L379 K380 I396R372-C376 PolarHBondContact NH1-SG 3.14Å; R372-C376 PolarHBondContact O-N 3.11Å; R373-C376 PolarHBondContact O-N 2.79Å; C376-L379 PolarHBondContact O-N 3.11Å; C376-K380 WeakPolarHBondContact O-CB 3.1Å; C376-K380 VanDerWaalsContact O-CG 3.24Å; C376-K380 WeakPolarHBondContact O-CG 3.47Å; C376-K380 PolarHBondContact O-N 3.33Å; C376-I396 HydrophobicContact CB-CG2 4.34Å
377A88.4Confident84Confident58 Ų5859.9 Ų59.948%0.47931%0.314SS..Hα-helixtrans-61.7-45.8177.700000111.3R373 I375 K380 E381R373-A377 VanDerWaalsContact O-CB 3.28Å; R373-A377 WeakPolarHBondContact O-CB 3.49Å; R373-A377 PolarHBondContact O-N 3.35Å; I375-A377 PolarHBondContact O-N 2.84Å; A377-K380 PolarHBondContact O-N 3.07Å; A377-E381 PolarHBondContact O-N 2.79Å
378Y89Confident81.6Confident61 Ų6166.6 Ų66.624%0.23935%0.35CS..Hα-helixtrans-58.4-49.4176.3176.9-95.4000112.2F220 N223 A374 I375 K380 E381 L382F220-Y378 AromaticContact CD2-CD1 3.34Å; F220-Y378 HydrophobicContact CD2-CD1 3.34Å; F220-Y378 AromaticContact CD2-CE1 3.97Å; F220-Y378 HydrophobicContact CD2-CE1 3.97Å; F220-Y378 AromaticContact CD2-CG 3.92Å; F220-Y378 HydrophobicContact CD2-CG 3.92Å; F220-Y378 AromaticContact CE2-CD1 3.42Å; F220-Y378 HydrophobicContact CE2-CD1 3.42Å; F220-Y378 VanDerWaalsContact CE2-CD1 3.42Å; F220-Y378 HydrophobicContact CE2-CD2 4.27Å; F220-Y378 HydrophobicContact CE2-CE1 4.02Å; F220-Y378 AromaticContact CE2-CG 3.56Å; F220-Y378 HydrophobicContact CE2-CG 3.56Å; F220-Y378 HydrophobicContact CG-CD1 4.32Å; F220-Y378 HydrophobicContact CZ-CD1 4.44Å; N223-Y378 HydrophobicContact CB-CE1 4.46Å; N223-Y378 PolarHBondContact O-OH 3.34Å; A374-Y378 PolarHBondContact O-N 2.85Å; A374-Y378 VanDerWaalsContact O-N 3.15Å; I375-Y378 PolarHBondContact O-N 3.23Å; Y378-K380 VanDerWaalsContact C-N 3.34Å; Y378-K380 PolarHBondContact O-N 3.15Å; Y378-E381 PolarHBondContact O-N 2.84Å; Y378-L382 WeakPolarHBondContact O-CB 3.31Å; Y378-L382 PolarHBondContact O-N 2.91Å
379L87.8Confident79.3Confident0 Ų069.9 Ų69.90%037%0.366CS..Hα-helixtrans-66.6-35.7178.8-66.8178.1000112.1L216 Q219 F220 I375 C376 E381 L382 Y383 V392 I396L216-L379 HydrophobicContact CD1-CD1 3.48Å; L216-L379 VanDerWaalsContact CD1-CD1 3.48Å; L216-L379 HydrophobicContact CG-CD1 4.21Å; Q219-L379 HydrophobicContact CB-CD1 4.34Å; Q219-L379 HydrophobicContact CB-CD2 4.49Å; F220-L379 HydrophobicContact CB-CD2 4.39Å; I375-L379 HydrophobicContact CG2-CD1 4.06Å; I375-L379 WeakPolarHBondContact O-CG 3.24Å; I375-L379 PolarHBondContact O-N 3.2Å; C376-L379 PolarHBondContact O-N 3.11Å; L379-E381 VanDerWaalsContact C-N 3.35Å; L379-E381 PolarHBondContact O-N 3.22Å; L379-L382 HydrophobicContact CD2-CD2 4.37Å; L379-L382 PolarHBondContact O-N 3.34Å; L379-Y383 HydrophobicContact CB-CD2 4.32Å; L379-Y383 HydrophobicContact CD2-CE2 3.98Å; L379-Y383 WeakPolarHBondContact O-CB 3.42Å; L379-Y383 WeakPolarHBondContact O-CD2 3.3Å; L379-Y383 PolarHBondContact O-N 2.94Å; L379-V392 HydrophobicContact CB-CG1 4.48Å; L379-I396 HydrophobicContact CB-CD1 3.86Å
380K86.4Confident77.1Confident82 Ų8273.3 Ų73.336%0.35739%0.39SS..Hα-helixtrans-61.6-42.9175.2-78.8179.9-176-176.20112.5C376 A377 Y378 Q384 V385 I396C376-K380 WeakPolarHBondContact O-CB 3.1Å; C376-K380 VanDerWaalsContact O-CG 3.24Å; C376-K380 WeakPolarHBondContact O-CG 3.47Å; C376-K380 PolarHBondContact O-N 3.33Å; A377-K380 PolarHBondContact O-N 3.07Å; Y378-K380 VanDerWaalsContact C-N 3.34Å; Y378-K380 PolarHBondContact O-N 3.15Å; K380-Q384 WeakPolarHBondContact O-CA 3.43Å; K380-Q384 PolarHBondContact O-N 3.16Å; K380-Q384 VanDerWaalsContact O-N 3.11Å; K380-V385 HydrophobicContact CB-CB 4.27Å; K380-V385 HydrophobicContact CB-CG2 4.16Å; K380-V385 HydrophobicContact CG-CB 4.09Å; K380-V385 HydrophobicContact CG-CG1 4.47Å; K380-V385 HydrophobicContact CG-CG2 3.98Å; K380-V385 PolarHBondContact O-N 2.97Å; K380-I396 HydrophobicContact CD-CG2 4.27Å; K380-I396 HydrophobicContact CG-CD1 4.03Å; K380-I396 HydrophobicContact CG-CG2 4.14Å
381E86.3Confident75.3Confident155 Ų15571.1 Ų71.172%0.72439%0.39SS*.Hα-helixtrans-66.2-47.3177.2-176175.3-174.600111.2A377 Y378 L379 Y383 Q384A377-E381 PolarHBondContact O-N 2.79Å; Y378-E381 PolarHBondContact O-N 2.84Å; L379-E381 VanDerWaalsContact C-N 3.35Å; L379-E381 PolarHBondContact O-N 3.22Å; E381-Y383 PolarHBondContact O-N 3.08Å; E381-Q384 PolarHBondContact O-N 3.42Å
382L83.5Confident73.5Confident72 Ų7268.6 Ų68.638%0.37738%0.376SS..Hα-helixtrans-58.4-50.5179.6179.872.7000112.5N223 Y378 L379 Q384N223-L382 HydrophobicContact CB-CD2 3.33Å; Y378-L382 WeakPolarHBondContact O-CB 3.31Å; Y378-L382 PolarHBondContact O-N 2.91Å; L379-L382 HydrophobicContact CD2-CD2 4.37Å; L379-L382 PolarHBondContact O-N 3.34Å; L382-Q384 VanDerWaalsContact C-N 3.27Å; L382-Q384 PolarHBondContact O-N 2.84Å
383Y79.5Confident71.9Confident43 Ų4369.2 Ų69.217%0.16938%0.381CS..THydrogen-bonded Turntrans-85.22.3-177.5-67.5-66.9000113.6N223 L379 E381 V385 E389 V392N223-Y383 PolarHBondContact ND2-OH 3.2Å; L379-Y383 HydrophobicContact CB-CD2 4.32Å; L379-Y383 HydrophobicContact CD2-CE2 3.98Å; L379-Y383 WeakPolarHBondContact O-CB 3.42Å; L379-Y383 WeakPolarHBondContact O-CD2 3.3Å; L379-Y383 PolarHBondContact O-N 2.94Å; E381-Y383 PolarHBondContact O-N 3.08Å; Y383-V385 PolarHBondContact O-N 2.86Å; Y383-E389 WeakPolarHBondContact CD1-OE2 3.32Å; Y383-E389 WeakPolarHBondContact CE1-OE1 3.5Å; Y383-E389 WeakPolarHBondContact CE1-OE2 3.27Å; Y383-E389 PolarHBondContact OH-OE2 2.98Å; Y383-V392 HydrophobicContact CD2-CB 4.35Å; Y383-V392 HydrophobicContact CD2-CG1 3.75Å; Y383-V392 HydrophobicContact CD2-CG2 4.45Å; Y383-V392 HydrophobicContact CE2-CB 4.25Å; Y383-V392 HydrophobicContact CE2-CG1 3.86Å; Y383-V392 HydrophobicContact CE2-CG2 3.86Å
384Q71.6Confident70.7Confident146 Ų14668.6 Ų68.668%0.68238%0.379SS*.THydrogen-bonded Turntrans49.148.1-177-56.2175.417.700111K380 E381 L382 G386 V387K380-Q384 WeakPolarHBondContact O-CA 3.43Å; K380-Q384 PolarHBondContact O-N 3.16Å; K380-Q384 VanDerWaalsContact O-N 3.11Å; E381-Q384 PolarHBondContact O-N 3.42Å; L382-Q384 VanDerWaalsContact C-N 3.27Å; L382-Q384 PolarHBondContact O-N 2.84Å; Q384-G386 VanDerWaalsContact O-CA 3.27Å; Q384-G386 WeakPolarHBondContact O-CA 3.32Å; Q384-G386 PolarHBondContact O-N 3.2Å; Q384-V387 PolarHBondContact O-N 3.31Å
385V59.2Low69.4Low54 Ų5468.1 Ų68.133%0.32737%0.372SS..THydrogen-bonded Turntrans-50109.1-165169.60000110.5K380 Y383 N393 I396K380-V385 HydrophobicContact CB-CB 4.27Å; K380-V385 HydrophobicContact CB-CG2 4.16Å; K380-V385 HydrophobicContact CG-CB 4.09Å; K380-V385 HydrophobicContact CG-CG1 4.47Å; K380-V385 HydrophobicContact CG-CG2 3.98Å; K380-V385 PolarHBondContact O-N 2.97Å; Y383-V385 PolarHBondContact O-N 2.86Å; V385-N393 WeakPolarHBondContact CG1-OD1 3.42Å; V385-I396 HydrophobicContact CG2-CD1 4.44Å
386G50.4Low68.1Low74 Ų7468.8 Ų68.876%0.76338%0.375SS*.THydrogen-bonded Turntrans150.8-26-148.500000109.9Q384Q384-G386 VanDerWaalsContact O-CA 3.27Å; Q384-G386 WeakPolarHBondContact O-CA 3.32Å; Q384-G386 PolarHBondContact O-N 3.2Å
387V43.4Very low66.9Low97 Ų9774.6 Ų74.659%0.58840%0.401SS*.SBendtrans-129.198.5178.7-1680000111.8Q384 E389Q384-V387 PolarHBondContact O-N 3.31Å; V387-E389 PolarHBondContact O-N 3.09Å; V387-E389 VanDerWaalsContact O-N 3.15Å
388D47.7Very low65.3Low150 Ų15073.9 Ų73.980%0.80239%0.393SS*.  trans41.848.1146.5-68.3-24.8000122.1P390D388-P390 WeakPolarHBondContact O-CD 3.43Å
389E50.8Low63.6Low69 Ų6977.8 Ų77.832%0.32241%0.413SS..  trans-111.189.8156.1-138.8-168.3-150.900111.6Y383 V387 G391 V392 N393Y383-E389 WeakPolarHBondContact CD1-OE2 3.32Å; Y383-E389 WeakPolarHBondContact CE1-OE1 3.5Å; Y383-E389 WeakPolarHBondContact CE1-OE2 3.27Å; Y383-E389 PolarHBondContact OH-OE2 2.98Å; V387-E389 PolarHBondContact O-N 3.09Å; V387-E389 VanDerWaalsContact O-N 3.15Å; E389-G391 PolarHBondContact O-N 3.35Å; E389-G391 VanDerWaalsContact O-N 3.08Å; E389-V392 PolarHBondContact O-N 3.12Å; E389-V392 WeakPolarHBondContact OE2-CB 3.33Å; E389-V392 WeakPolarHBondContact OE2-CG2 3.36Å; E389-N393 PolarHBondContact O-N 2.74Å; E389-N393 VanDerWaalsContact O-N 3.14Å
390P50.4Low61.4Low90 Ų9081.5 Ų81.558%0.58444%0.437SS*.Hα-helixtrans-62.8-21.2-169.8-22.531.7000115.1D388 R394D388-P390 WeakPolarHBondContact O-CD 3.43Å; P390-R394 WeakPolarHBondContact O-CG 3.15Å; P390-R394 PolarHBondContact O-NE 2.82Å
391G57.5Low58.8Low33 Ų3384 Ų8434%0.3445%0.453SS..Hα-helixtrans-75.1-50.3176.700000111.6E389 R394 L395E389-G391 PolarHBondContact O-N 3.35Å; E389-G391 VanDerWaalsContact O-N 3.08Å; G391-R394 PolarHBondContact O-N 3.33Å; G391-L395 WeakPolarHBondContact O-CG 3.08Å; G391-L395 PolarHBondContact O-N 3Å
392V57.3Low56.2Low1 Ų180.2 Ų80.21%0.00645%0.448CS..Hα-helixtrans-74.1-38.4-174.5172.50000112Q219 L379 Y383 E389 R394 L395 I396Q219-V392 HydrophobicContact CG-CG2 4.11Å; L379-V392 HydrophobicContact CB-CG1 4.48Å; Y383-V392 HydrophobicContact CD2-CB 4.35Å; Y383-V392 HydrophobicContact CD2-CG1 3.75Å; Y383-V392 HydrophobicContact CD2-CG2 4.45Å; Y383-V392 HydrophobicContact CE2-CB 4.25Å; Y383-V392 HydrophobicContact CE2-CG1 3.86Å; Y383-V392 HydrophobicContact CE2-CG2 3.86Å; E389-V392 PolarHBondContact O-N 3.12Å; E389-V392 WeakPolarHBondContact OE2-CB 3.33Å; E389-V392 WeakPolarHBondContact OE2-CG2 3.36Å; V392-R394 VanDerWaalsContact C-N 3.29Å; V392-R394 PolarHBondContact O-N 2.9Å; V392-L395 PolarHBondContact O-N 2.76Å; V392-I396 HydrophobicContact CG1-CD1 3.4Å; V392-I396 VanDerWaalsContact CG1-CD1 3.4Å; V392-I396 HydrophobicContact CG1-CG1 3.95Å; V392-I396 WeakPolarHBondContact O-CB 3.46Å; V392-I396 VanDerWaalsContact O-CG1 3.31Å; V392-I396 WeakPolarHBondContact O-CG1 3.41Å; V392-I396 PolarHBondContact O-N 2.87Å
393N59Low53.6Low33 Ų3386.5 Ų86.518%0.17649%0.49CS..Hα-helixtrans-57.3-45.2173.5-72.8-13000110.9V385 E389 L395 I396 E397V385-N393 WeakPolarHBondContact CG1-OD1 3.42Å; E389-N393 PolarHBondContact O-N 2.74Å; E389-N393 VanDerWaalsContact O-N 3.14Å; N393-L395 VanDerWaalsContact C-N 3.32Å; N393-L395 PolarHBondContact O-N 2.68Å; N393-I396 PolarHBondContact O-N 3.28Å; N393-E397 WeakPolarHBondContact O-CA 3.15Å; N393-E397 WeakPolarHBondContact O-CB 3.43Å; N393-E397 WeakPolarHBondContact O-CG 3.49Å; N393-E397 PolarHBondContact O-N 3.44Å
394R65.2Low52.3Low179 Ų17988.7 Ų88.768%0.67551%0.506SS*.Hα-helixtrans-61.7-36.3175.9-75.5-174.3-68.9158.5-0.7113.3P390 G391 V392 S398P390-R394 WeakPolarHBondContact O-CG 3.15Å; P390-R394 PolarHBondContact O-NE 2.82Å; G391-R394 PolarHBondContact O-N 3.33Å; V392-R394 VanDerWaalsContact C-N 3.29Å; V392-R394 PolarHBondContact O-N 2.9Å; R394-S398 WeakPolarHBondContact O-CB 3.43Å; R394-S398 PolarHBondContact O-N 2.93Å; R394-S398 PolarHBondContact O-OG 3.29Å
395L63.5Low51.3Low23 Ų2385.7 Ų85.712%0.1250%0.497CS..Hα-helixtrans-73.1-34177.7-66.2164.1000112.6S212 E215 L216 R372 G391 V392 N393 S398S212-L395 WeakPolarHBondContact O-CD2 3.46Å; E215-L395 HydrophobicContact CB-CD1 4.48Å; E215-L395 HydrophobicContact CB-CD2 4.3Å; E215-L395 HydrophobicContact CG-CD1 3.62Å; E215-L395 HydrophobicContact CG-CD2 4.1Å; L216-L395 HydrophobicContact CD1-CB 3.99Å; R372-L395 PolarHBondContact NH2-O 2.83Å; G391-L395 WeakPolarHBondContact O-CG 3.08Å; G391-L395 PolarHBondContact O-N 3Å; V392-L395 PolarHBondContact O-N 2.76Å; N393-L395 VanDerWaalsContact C-N 3.32Å; N393-L395 PolarHBondContact O-N 2.68Å; L395-S398 PolarHBondContact O-OG 3.03Å
396I64.2Low50.9Low14 Ų1487.4 Ų87.47%0.07251%0.506CS..Hα-helixtrans-78.1-38.3177.6-68.5176.5000110.6L216 C376 L379 K380 V385 V392 N393L216-I396 HydrophobicContact CD1-CG1 4.19Å; C376-I396 HydrophobicContact CB-CG2 4.34Å; L379-I396 HydrophobicContact CB-CD1 3.86Å; K380-I396 HydrophobicContact CD-CG2 4.27Å; K380-I396 HydrophobicContact CG-CD1 4.03Å; K380-I396 HydrophobicContact CG-CG2 4.14Å; V385-I396 HydrophobicContact CG2-CD1 4.44Å; V392-I396 HydrophobicContact CG1-CD1 3.4Å; V392-I396 VanDerWaalsContact CG1-CD1 3.4Å; V392-I396 HydrophobicContact CG1-CG1 3.95Å; V392-I396 WeakPolarHBondContact O-CB 3.46Å; V392-I396 VanDerWaalsContact O-CG1 3.31Å; V392-I396 WeakPolarHBondContact O-CG1 3.41Å; V392-I396 PolarHBondContact O-N 2.87Å; N393-I396 PolarHBondContact O-N 3.28Å
397E63Low50.9Low133 Ų13388.2 Ų88.262%0.62149%0.491SS*.Hα-helixtrans-88-6.5-177.3-66.3172.8178.600114N393 E399N393-E397 WeakPolarHBondContact O-CA 3.15Å; N393-E397 WeakPolarHBondContact O-CB 3.43Å; N393-E397 WeakPolarHBondContact O-CG 3.49Å; N393-E397 PolarHBondContact O-N 3.44Å; E397-E399 PolarHBondContact O-N 3.43Å
398S56.6Low51.4Low43 Ų4387.7 Ų87.730%0.30149%0.485SS..SBendtrans-68.856.417861.60000113.5R394 L395R394-S398 WeakPolarHBondContact O-CB 3.43Å; R394-S398 PolarHBondContact O-N 2.93Å; R394-S398 PolarHBondContact O-OG 3.29Å; L395-S398 PolarHBondContact O-OG 3.03Å
399E51.3Low51.6Low143 Ų14383.5 Ų83.567%0.66846%0.464SS*.SBendtrans78.7145.5172.9-60-166.6157.500118.4E397E397-E399 PolarHBondContact O-N 3.43Å
400P42.3Very low51.7Low77 Ų7784.6 Ų84.650%0.547%0.474SS..  -132.9149.9-55.331.7-14.5000112.6Q201 A402Q201-P400 PolarHBondContact NE2-O 3.37Å; P400-A402 PolarHBondContact O-N 2.68Å
401I31.8Very low51.8Low136 Ų13684.2 Ų84.270%0.69747%0.465SS*.  trans-64.4103.4169.2-59163.2000108
402A33.1Very low51.3Low75 Ų7588.4 Ų88.462%0.6248%0.476SS*.  trans-78128.8148.900000106.9P400P400-A402 PolarHBondContact O-N 2.68Å
403T28.7Very low50.8Low204 Ų20496.4 Ų96.4100%1.25252%0.518SS*.  trans-74.70177.117.70000111.2

Retrieved 403 of 403 residues in 440.8 ms (Link to these results)

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