A0A077Z283_TRITR Loading...

Phosphatidylglycerophosphatase and protein-tyrosine phosphatase 1

AlphaFold DB , UniProt , Accession A0A077Z283, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 189 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
1M52.7Low65.6Low108 Ų10887.3 Ų87.353%0.53247%0.466SS..  0133.70-73.2-168.1122.600109.7E5 N6 H67M1-E5 WeakPolarHBondContact CA-OE2 3.49Å; M1-E5 HydrophobicContact CB-CB 4.5Å; M1-E5 HydrophobicContact CE-CB 3.89Å; M1-N6 PolarHBondContact SD-OD1 2.93Å; M1-H67 WeakPolarHBondContact CE-CE1 3.38Å; M1-H67 WeakPolarHBondContact CE-NE2 3.47Å; M1-H67 PolarHBondContact SD-CE1 3.38Å; M1-H67 PolarHBondContact SD-ND1 2.92Å; M1-H67 VanDerWaalsContact SD-ND1 3.44Å; M1-H67 PolarHBondContact SD-NE2 2.96Å
2T63.4Low66.5Low89 Ų8983.2 Ų83.255%0.54645%0.449SS..  trans-73.1148164.159.90000107.9L4 E5T2-L4 PolarHBondContact O-N 3.15Å; T2-E5 PolarHBondContact N-OE2 3.39Å; T2-E5 PolarHBondContact O-N 3.33Å
3L64.5Low67.1Low142 Ų14277.2 Ų77.274%0.74342%0.417SS*.Hα-helixtrans-51-27.7-179.8-135.8143.6000112.5L7L3-L7 HydrophobicContact CD2-CD1 4.02Å; L3-L7 WeakPolarHBondContact O-CG 3.19Å; L3-L7 PolarHBondContact O-N 3.23Å
4L63.1Low67.6Low136 Ų13681.1 Ų81.171%0.71243%0.429SS*.Hα-helixtrans-62.8-36.7175.2-158.383.8000113.8T2 L7 A8T2-L4 PolarHBondContact O-N 3.15Å; L4-L7 PolarHBondContact O-N 2.69Å; L4-A8 WeakPolarHBondContact O-CB 3.28Å; L4-A8 PolarHBondContact O-N 2.92Å
5E62.3Low68.1Low49 Ų4983.6 Ų83.623%0.22943%0.431CS..Hα-helixtrans-71.5-42.4-176.5-62.9-179.3120.500111.6M1 T2 L7 A8 F9 R93M1-E5 WeakPolarHBondContact CA-OE2 3.49Å; M1-E5 HydrophobicContact CB-CB 4.5Å; M1-E5 HydrophobicContact CE-CB 3.89Å; T2-E5 PolarHBondContact N-OE2 3.39Å; T2-E5 PolarHBondContact O-N 3.33Å; E5-L7 VanDerWaalsContact C-N 3.31Å; E5-L7 PolarHBondContact O-N 3.44Å; E5-A8 PolarHBondContact O-N 2.76Å; E5-F9 PolarHBondContact O-N 3.43Å; E5-R93 IonicContact OE1-CZ 3.51Å; E5-R93 VanDerWaalsContact OE1-CZ 3.25Å; E5-R93 IonicContact OE1-NE 3.81Å; E5-R93 PolarHBondContact OE1-NE 3.1Å; E5-R93 VanDerWaalsContact OE1-NE 3.12Å; E5-R93 IonicContact OE1-NH2 3.98Å; E5-R93 PolarHBondContact OE1-NH2 3.4Å; E5-R93 IonicContact OE2-NH2 3.42Å
6N63.4Low68.5Low67 Ų6778.9 Ų78.936%0.35841%0.408SS..Hα-helixtrans-61.1-41.4172.1-79.4-18000111.3M1 F9 Y10M1-N6 PolarHBondContact SD-OD1 2.93Å; N6-F9 WeakPolarHBondContact O-CB 3.34Å; N6-F9 PolarHBondContact O-N 3.14Å; N6-Y10 WeakPolarHBondContact O-CD2 3.49Å
7L63.8Low68.8Low111 Ų11177.5 Ų77.558%0.58140%0.401SS*.Hα-helixtrans-68.8-32.2177.5-75.5170.5000112.9L3 L4 E5 F9 P11L3-L7 HydrophobicContact CD2-CD1 4.02Å; L3-L7 WeakPolarHBondContact O-CG 3.19Å; L3-L7 PolarHBondContact O-N 3.23Å; L4-L7 PolarHBondContact O-N 2.69Å; E5-L7 VanDerWaalsContact C-N 3.31Å; E5-L7 PolarHBondContact O-N 3.44Å; L7-F9 VanDerWaalsContact C-N 3.31Å; L7-P11 WeakPolarHBondContact O-CD 3.44Å; L7-P11 WeakPolarHBondContact O-CG 3.43Å
8A71.5Confident68.9Low46 Ų4677.6 Ų77.638%0.3840%0.401SS..Hα-helixtrans-75.5-21.7174.100000112.6L4 E5 S12L4-A8 WeakPolarHBondContact O-CB 3.28Å; L4-A8 PolarHBondContact O-N 2.92Å; E5-A8 PolarHBondContact O-N 2.76Å; A8-S12 PolarHBondContact O-OG 3.1Å
9F69.8Low69.1Low9 Ų978 Ų784%0.03940%0.397CS..Hα-helixtrans-65.8-54.4-179.4177.2-92000112E5 N6 L7 S12 L13 E68 H71 K126E5-F9 PolarHBondContact O-N 3.43Å; N6-F9 WeakPolarHBondContact O-CB 3.34Å; N6-F9 PolarHBondContact O-N 3.14Å; L7-F9 VanDerWaalsContact C-N 3.31Å; F9-S12 PolarHBondContact O-N 2.67Å; F9-S12 PolarHBondContact O-OG 2.84Å; F9-S12 VanDerWaalsContact O-OG 3.05Å; F9-L13 HydrophobicContact CE1-CD2 3.84Å; F9-L13 HydrophobicContact CZ-CD2 4.13Å; F9-L13 WeakPolarHBondContact O-CB 3.2Å; F9-L13 PolarHBondContact O-N 3.01Å; F9-E68 HydrophobicContact CD2-CB 4.47Å; F9-E68 HydrophobicContact CD2-CG 3.86Å; F9-E68 HydrophobicContact CE2-CB 3.57Å; F9-E68 HydrophobicContact CE2-CG 3.39Å; F9-E68 VanDerWaalsContact CE2-OE1 3.32Å; F9-E68 WeakPolarHBondContact CE2-OE1 3.26Å; F9-E68 HydrophobicContact CZ-CB 3.8Å; F9-E68 HydrophobicContact CZ-CG 4.1Å; F9-H71 AromaticContact CE1-NE2 3.57Å; F9-K126 HydrophobicContact CD2-CD 3.76Å; F9-K126 HydrophobicContact CE2-CD 3.47Å; F9-K126 VanDerWaalsContact CE2-CD 3.47Å; F9-K126 VanDerWaalsContact CE2-CE 3.43Å; F9-K126 HydrophobicContact CE2-CG 3.89Å; F9-K126 HydrophobicContact CZ-CD 4.37Å; F9-K126 HydrophobicContact CZ-CG 4.47Å; F9-K126 WeakPolarHBondContact O-CE 3.45Å; F9-K126 PolarHBondContact O-NZ 3.38Å
10Y71Confident69.3Low123 Ų12375.8 Ų75.848%0.48239%0.386SS..Hα-helixtrans-62.3-44.3-175.3-68.6-80.4000114.3N6 S12 L13 F14 H71N6-Y10 WeakPolarHBondContact O-CD2 3.49Å; Y10-S12 PolarHBondContact O-N 3.38Å; Y10-L13 PolarHBondContact O-N 3.29Å; Y10-F14 VanDerWaalsContact O-CB 3.24Å; Y10-F14 WeakPolarHBondContact O-CB 3.32Å; Y10-F14 PolarHBondContact O-N 3.19Å; Y10-H71 AromaticContact CZ-CE1 3.88Å; Y10-H71 PolarHBondContact OH-CE1 3.38Å
11P76.1Confident69.4Low80 Ų8082.6 Ų82.652%0.51941%0.407SS..Hα-helixtrans-62.1-41.4178.1-2535.1000112.8L7 F14 Y15L7-P11 WeakPolarHBondContact O-CD 3.44Å; L7-P11 WeakPolarHBondContact O-CG 3.43Å; P11-F14 PolarHBondContact O-N 3.21Å; P11-Y15 WeakPolarHBondContact O-CB 3.23Å; P11-Y15 PolarHBondContact O-N 2.86Å
12S76Confident70.1Confident38 Ų3883.6 Ų83.627%0.26641%0.414SS..Hα-helixtrans-74-31.6-179.953.60000112.7A8 F9 Y10 S16 K126A8-S12 PolarHBondContact O-OG 3.1Å; F9-S12 PolarHBondContact O-N 2.67Å; F9-S12 PolarHBondContact O-OG 2.84Å; F9-S12 VanDerWaalsContact O-OG 3.05Å; Y10-S12 PolarHBondContact O-N 3.38Å; S12-S16 PolarHBondContact O-N 2.87Å; S12-S16 VanDerWaalsContact O-N 3.12Å; S12-S16 PolarHBondContact O-OG 3.43Å; S12-K126 PolarHBondContact OG-NZ 3.19Å
13L75.3Confident70.1Confident6 Ų681.6 Ų81.63%0.03140%0.403CS..Hα-helixtrans-66.9-51.2169.5179.666.3000110.8F9 Y10 Y15 S16 L17 W73 K126F9-L13 HydrophobicContact CE1-CD2 3.84Å; F9-L13 HydrophobicContact CZ-CD2 4.13Å; F9-L13 WeakPolarHBondContact O-CB 3.2Å; F9-L13 PolarHBondContact O-N 3.01Å; Y10-L13 PolarHBondContact O-N 3.29Å; L13-Y15 VanDerWaalsContact C-N 3.26Å; L13-Y15 PolarHBondContact O-N 3.41Å; L13-S16 CarbonylContact O-C 3.43Å; L13-S16 WeakPolarHBondContact O-CA 3.39Å; L13-S16 WeakPolarHBondContact O-CB 3.23Å; L13-S16 PolarHBondContact O-N 2.76Å; L13-L17 HydrophobicContact CG-CD1 4.06Å; L13-L17 HydrophobicContact CG-CG 4.46Å; L13-L17 WeakPolarHBondContact O-CG 3.03Å; L13-L17 PolarHBondContact O-N 3.05Å; L13-W73 HydrophobicContact CD1-CH2 4.26Å; L13-W73 HydrophobicContact CD2-CH2 3.3Å; L13-W73 HydrophobicContact CD2-CZ2 3.45Å; L13-W73 VanDerWaalsContact CD2-CZ2 3.45Å; L13-W73 HydrophobicContact CD2-CZ3 4.46Å; L13-W73 HydrophobicContact CG-CH2 4.31Å; L13-K126 HydrophobicContact CD1-CG 4.31Å
14F74.1Confident70.2Confident132 Ų13278.3 Ų78.358%0.57939%0.393SS*.Hα-helixtrans-58.3-40.6178.6-176.6-99.3000111.4Y10 P11 S16 L17 L18Y10-F14 VanDerWaalsContact O-CB 3.24Å; Y10-F14 WeakPolarHBondContact O-CB 3.32Å; Y10-F14 PolarHBondContact O-N 3.19Å; P11-F14 PolarHBondContact O-N 3.21Å; F14-S16 VanDerWaalsContact C-N 3.35Å; F14-S16 PolarHBondContact O-N 2.98Å; F14-L17 WeakPolarHBondContact O-CB 3.27Å; F14-L17 PolarHBondContact O-N 3.18Å; F14-L18 HydrophobicContact CE1-CD2 4.22Å; F14-L18 VanDerWaalsContact O-CB 3.23Å; F14-L18 WeakPolarHBondContact O-CB 3.4Å; F14-L18 PolarHBondContact O-N 2.62Å
15Y74.8Confident70.3Confident118 Ų11879.1 Ų79.146%0.46340%0.396SS..Hα-helixtrans-60.2-43.7172.7-178.1-96.2000112.3P11 L13 R19P11-Y15 WeakPolarHBondContact O-CB 3.23Å; P11-Y15 PolarHBondContact O-N 2.86Å; L13-Y15 VanDerWaalsContact C-N 3.26Å; L13-Y15 PolarHBondContact O-N 3.41Å; Y15-R19 WeakPolarHBondContact O-CB 3.37Å; Y15-R19 PolarHBondContact O-N 2.7Å; Y15-R19 PolarHBondContact OH-NH1 3.28Å
16S74Confident70.7Confident9 Ų981.7 Ų81.76%0.06341%0.412CS..Hα-helixtrans-65.6-41.1177.5-57.30000111.7S12 L13 F14 N20S12-S16 PolarHBondContact O-N 2.87Å; S12-S16 VanDerWaalsContact O-N 3.12Å; S12-S16 PolarHBondContact O-OG 3.43Å; L13-S16 CarbonylContact O-C 3.43Å; L13-S16 WeakPolarHBondContact O-CA 3.39Å; L13-S16 WeakPolarHBondContact O-CB 3.23Å; L13-S16 PolarHBondContact O-N 2.76Å; F14-S16 VanDerWaalsContact C-N 3.35Å; F14-S16 PolarHBondContact O-N 2.98Å; S16-N20 WeakPolarHBondContact O-CB 3.29Å; S16-N20 PolarHBondContact O-N 2.99Å
17L73.9Confident71.3Confident55 Ų5579 Ų7929%0.28840%0.396SS..Hα-helixtrans-60.8-53.7173.8-73.8169.2000111.8L13 F14 R19 N20 R21 W29 F44L13-L17 HydrophobicContact CG-CD1 4.06Å; L13-L17 HydrophobicContact CG-CG 4.46Å; L13-L17 WeakPolarHBondContact O-CG 3.03Å; L13-L17 PolarHBondContact O-N 3.05Å; F14-L17 WeakPolarHBondContact O-CB 3.27Å; F14-L17 PolarHBondContact O-N 3.18Å; L17-R19 VanDerWaalsContact C-N 3.29Å; L17-R19 PolarHBondContact O-N 3.01Å; L17-N20 PolarHBondContact O-N 2.98Å; L17-R21 WeakPolarHBondContact O-CB 3.39Å; L17-R21 PolarHBondContact O-N 3.21Å; L17-W29 HydrophobicContact CD2-CH2 3.5Å; L17-W29 HydrophobicContact CD2-CZ2 4.34Å; L17-W29 HydrophobicContact CD2-CZ3 3.88Å; L17-W29 HydrophobicContact CG-CH2 4.08Å; L17-W29 HydrophobicContact CG-CZ3 4.43Å; L17-F44 HydrophobicContact CD2-CE1 3.83Å; L17-F44 HydrophobicContact CD2-CE2 4.25Å; L17-F44 HydrophobicContact CD2-CZ 3.27Å
18L71.4Confident72.4Confident78 Ų7875.5 Ų75.541%0.40838%0.38SS..Hα-helixtrans-59.4-43.5-179.4-177.663.6000110.5F14 R21 L22F14-L18 HydrophobicContact CE1-CD2 4.22Å; F14-L18 VanDerWaalsContact O-CB 3.23Å; F14-L18 WeakPolarHBondContact O-CB 3.4Å; F14-L18 PolarHBondContact O-N 2.62Å; L18-R21 PolarHBondContact O-N 2.75Å; L18-L22 HydrophobicContact CD1-CD1 4.04Å; L18-L22 HydrophobicContact CD1-CG 4.25Å; L18-L22 HydrophobicContact CG-CD1 3.85Å; L18-L22 HydrophobicContact CG-CG 4.42Å; L18-L22 WeakPolarHBondContact O-CB 3.38Å; L18-L22 VanDerWaalsContact O-CG 3.23Å; L18-L22 WeakPolarHBondContact O-CG 3.48Å; L18-L22 PolarHBondContact O-N 2.86Å
19R72.3Confident73.3Confident86 Ų8674 Ų7433%0.32537%0.365SS..Hα-helixtrans-71.6-36.4-178.7-163.2157.2-175.6-176.86.2113.1Y15 L17 R21 S23 W27Y15-R19 WeakPolarHBondContact O-CB 3.37Å; Y15-R19 PolarHBondContact O-N 2.7Å; Y15-R19 PolarHBondContact OH-NH1 3.28Å; L17-R19 VanDerWaalsContact C-N 3.29Å; L17-R19 PolarHBondContact O-N 3.01Å; R19-R21 VanDerWaalsContact C-N 3.35Å; R19-S23 PolarHBondContact O-N 2.87Å; R19-W27 HydrophobicContact CB-CE3 4.32Å; R19-W27 VanDerWaalsContact CD-CZ3 3.42Å; R19-W27 HydrophobicContact CG-CD2 4.15Å; R19-W27 HydrophobicContact CG-CE3 3.57Å; R19-W27 HydrophobicContact CG-CZ3 4.19Å
20N72.2Confident74.5Confident34 Ų3475.1 Ų75.118%0.18237%0.369CS..Hα-helixtrans-64.6-39.9170.2172.5-105.8000111.7S16 L17 S23 S24 W27 W29S16-N20 WeakPolarHBondContact O-CB 3.29Å; S16-N20 PolarHBondContact O-N 2.99Å; L17-N20 PolarHBondContact O-N 2.98Å; N20-S23 CarbonylContact O-C 3.51Å; N20-S24 VanDerWaalsContact O-CA 3.23Å; N20-S24 WeakPolarHBondContact O-CA 3.25Å; N20-S24 WeakPolarHBondContact O-CB 3.42Å; N20-S24 PolarHBondContact O-N 3.45Å; N20-W27 PolarHBondContact ND2-O 2.9Å; N20-W29 HydrophobicContact CB-CE3 3.67Å; N20-W29 HydrophobicContact CB-CZ3 3.99Å; N20-W29 PolarHBondContact ND2-N 2.65Å
21R71Confident75.7Confident219 Ų21970.7 Ų70.783%0.82635%0.353SS*.Hα-helixtrans-68.5-37.8178.1-171.4172.9-176.9157.51.3112.8L17 L18 R19L17-R21 WeakPolarHBondContact O-CB 3.39Å; L17-R21 PolarHBondContact O-N 3.21Å; L18-R21 PolarHBondContact O-N 2.75Å; R19-R21 VanDerWaalsContact C-N 3.35Å
22L68.4Low76.7Confident129 Ų12970.9 Ų70.968%0.67534%0.344SS*.Hα-helixtrans-76.7-31178.7-70.9172.9000112.9L18L18-L22 HydrophobicContact CD1-CD1 4.04Å; L18-L22 HydrophobicContact CD1-CG 4.25Å; L18-L22 HydrophobicContact CG-CD1 3.85Å; L18-L22 HydrophobicContact CG-CG 4.42Å; L18-L22 WeakPolarHBondContact O-CB 3.38Å; L18-L22 VanDerWaalsContact O-CG 3.23Å; L18-L22 WeakPolarHBondContact O-CG 3.48Å; L18-L22 PolarHBondContact O-N 2.86Å
23S62.7Low77.8Confident46 Ų4669.4 Ų69.432%0.32233%0.333SS..  trans-148.571.6-176.9-50.40000110.6R19 N20 I25 D26 W27R19-S23 PolarHBondContact O-N 2.87Å; N20-S23 CarbonylContact O-C 3.51Å; S23-I25 PolarHBondContact O-N 3.39Å; S23-D26 PolarHBondContact O-N 3.21Å; S23-W27 PolarHBondContact O-N 2.88Å
24S67.1Low78.8Confident74 Ų7470.2 Ų70.252%0.51734%0.337SS..THydrogen-bonded Turntrans-61.6-26.8177.358.60000112.3N20 W27 P28N20-S24 VanDerWaalsContact O-CA 3.23Å; N20-S24 WeakPolarHBondContact O-CA 3.25Å; N20-S24 WeakPolarHBondContact O-CB 3.42Å; N20-S24 PolarHBondContact O-N 3.45Å; S24-W27 CarbonylContact O-C 3.54Å; S24-P28 VanDerWaalsContact O-CA 3.29Å; S24-P28 WeakPolarHBondContact O-CA 3.29Å; S24-P28 VanDerWaalsContact O-N 3.15Å
25I66.3Low79.9Confident153 Ų15369.7 Ų69.779%0.78534%0.336SS*.THydrogen-bonded Turntrans-67.3-48.6174.7-62.2170.9000110.8S23S23-I25 PolarHBondContact O-N 3.39Å
26D69.7Low81Confident103 Ų10364.2 Ų64.255%0.55132%0.315SS*.THydrogen-bonded Turntrans-87.4-14-176.5-62.7-36.3000114S23 R161S23-D26 PolarHBondContact O-N 3.21Å; D26-R161 PolarHBondContact O-NE 3.33Å; D26-R161 PolarHBondContact O-NH2 3.24Å; D26-R161 VanDerWaalsContact O-NH2 3.1Å
27W75.3Confident82.1Confident11 Ų1163.8 Ų63.84%0.04231%0.312CS..SBendtrans-142.867179.7-156.7-51.9000110.5R19 N20 S23 S24 R161R19-W27 HydrophobicContact CB-CE3 4.32Å; R19-W27 VanDerWaalsContact CD-CZ3 3.42Å; R19-W27 HydrophobicContact CG-CD2 4.15Å; R19-W27 HydrophobicContact CG-CE3 3.57Å; R19-W27 HydrophobicContact CG-CZ3 4.19Å; N20-W27 PolarHBondContact ND2-O 2.9Å; S23-W27 PolarHBondContact O-N 2.88Å; S24-W27 CarbonylContact O-C 3.54Å; W27-R161 VanDerWaalsContact CD2-CD 3.48Å
28P87.8Confident83.3Confident36 Ų3661.1 Ų61.123%0.23430%0.298CS..  trans-62.2142.8175.725.3-34.1000110.8S24 Y30 N31 R159S24-P28 VanDerWaalsContact O-CA 3.29Å; S24-P28 WeakPolarHBondContact O-CA 3.29Å; S24-P28 VanDerWaalsContact O-N 3.15Å; P28-Y30 VanDerWaalsContact C-N 3.27Å; P28-Y30 PolarHBondContact O-N 3.29Å; P28-N31 WeakPolarHBondContact CG-ND2 3.35Å; P28-N31 WeakPolarHBondContact CG-OD1 3.33Å; P28-R159 PolarHBondContact O-NH1 2.76Å
29W91Very high84.6Confident16 Ų1657.4 Ų57.46%0.06128%0.279CS..SBendtrans-62.1-41-176.3-163.6-103.2000111.1L17 N20 G40 A41 L42 F44 M47 R159L17-W29 HydrophobicContact CD2-CH2 3.5Å; L17-W29 HydrophobicContact CD2-CZ2 4.34Å; L17-W29 HydrophobicContact CD2-CZ3 3.88Å; L17-W29 HydrophobicContact CG-CH2 4.08Å; L17-W29 HydrophobicContact CG-CZ3 4.43Å; N20-W29 HydrophobicContact CB-CE3 3.67Å; N20-W29 HydrophobicContact CB-CZ3 3.99Å; N20-W29 PolarHBondContact ND2-N 2.65Å; W29-G40 WeakPolarHBondContact O-CA 3.17Å; W29-A41 HydrophobicContact CD2-CB 3.82Å; W29-A41 VanDerWaalsContact CE2-CB 3.47Å; W29-A41 HydrophobicContact CE3-CB 4.28Å; W29-A41 HydrophobicContact CG-CB 4.27Å; W29-A41 HydrophobicContact CH2-CB 4.11Å; W29-A41 HydrophobicContact CZ2-CB 3.62Å; W29-A41 HydrophobicContact CZ3-CB 4.42Å; W29-A41 PolarHBondContact O-N 2.98Å; W29-L42 VanDerWaalsContact CE2-O 3.29Å; W29-L42 VanDerWaalsContact CZ2-O 3.25Å; W29-L42 WeakPolarHBondContact CZ2-O 3.46Å; W29-L42 PolarHBondContact NE1-O 3.4Å; W29-F44 HydrophobicContact CD2-CE2 4.16Å; W29-F44 HydrophobicContact CD2-CZ 4.43Å; W29-F44 AromaticContact CE2-CE2 3.63Å; W29-F44 AromaticContact CE2-CZ 3.66Å; W29-F44 HydrophobicContact CH2-CE1 4.42Å; W29-F44 HydrophobicContact CH2-CE2 4.18Å; W29-F44 AromaticContact CH2-CZ 3.51Å; W29-F44 HydrophobicContact CH2-CZ 3.51Å; W29-F44 AromaticContact CZ2-CE1 3.95Å; W29-F44 HydrophobicContact CZ2-CE1 3.95Å; W29-F44 AromaticContact CZ2-CE2 3.66Å; W29-F44 HydrophobicContact CZ2-CE2 3.66Å; W29-F44 AromaticContact CZ2-CZ 3.15Å; W29-F44 HydrophobicContact CZ2-CZ 3.15Å; W29-F44 HydrophobicContact CZ3-CZ 4.26Å; W29-F44 AromaticContact NE1-CE2 3.96Å; W29-M47 VanDerWaalsContact CD1-CE 3.41Å; W29-M47 HydrophobicContact CG-CE 4.24Å; W29-R159 PolarHBondContact O-NH1 3.23Å; W29-R159 PolarHBondContact O-NH2 3.35Å
30Y95.2Very high85.7Confident32 Ų3253.3 Ų53.313%0.12526%0.263CS..EExtended strand (participates in β ladder)trans-138.9160.5174.564.2-94.3000111.4P28 I38 L39 M47 E50 L51 E55 Y122P28-Y30 VanDerWaalsContact C-N 3.27Å; P28-Y30 PolarHBondContact O-N 3.29Å; Y30-I38 HydrophobicContact CD2-CG2 3.52Å; Y30-I38 HydrophobicContact CE2-CG2 4.4Å; Y30-I38 HydrophobicContact CG-CG2 4.05Å; Y30-L39 CarbonylContact C-O 3.44Å; Y30-L39 VanDerWaalsContact CA-O 3.3Å; Y30-L39 WeakPolarHBondContact CA-O 3.25Å; Y30-M47 HydrophobicContact CD1-CE 3.61Å; Y30-M47 HydrophobicContact CE1-CE 3.63Å; Y30-E50 PolarHBondContact OH-OE1 3.49Å; Y30-L51 HydrophobicContact CD1-CD2 4.33Å; Y30-L51 HydrophobicContact CE1-CD2 4Å; Y30-L51 HydrophobicContact CE2-CD2 4.39Å; Y30-E55 HydrophobicContact CE2-CG 4Å; Y30-Y122 VanDerWaalsContact CB-CE2 3.5Å; Y30-Y122 HydrophobicContact CD1-CE2 4.03Å; Y30-Y122 HydrophobicContact CD2-CE2 4.39Å; Y30-Y122 AromaticContact CG-CE2 3.74Å; Y30-Y122 HydrophobicContact CG-CE2 3.74Å
31N95.9Very high86.7Confident29 Ų2951.9 Ų51.916%0.15526%0.256CS..EExtended strand (participates in β ladder)trans-137.1135.8173.5-63.1101.2000109.5P28 I33 L39 K158 R159P28-N31 WeakPolarHBondContact CG-ND2 3.35Å; P28-N31 WeakPolarHBondContact CG-OD1 3.33Å; N31-I33 HydrophobicContact CB-CD1 4.48Å; N31-I33 PolarHBondContact O-N 3.42Å; N31-L39 PolarHBondContact N-O 2.9Å; N31-L39 PolarHBondContact O-N 3.28Å; N31-K158 PolarHBondContact ND2-O 2.85Å; N31-R159 HydrophobicContact CB-CB 4.43Å; N31-R159 WeakPolarHBondContact OD1-CG 3.41Å; N31-R159 PolarHBondContact OD1-NH1 2.86Å
32R97.2Very high87.7Confident85 Ų8541.5 Ų41.532%0.32122%0.217SC..EExtended strand (participates in β ladder)trans-67.6125165.8-175.2166.1-69.8-85.36.7109.4D34 E35 E55R32-D34 WeakPolarHBondContact CD-O 3.23Å; R32-D34 WeakPolarHBondContact CG-O 3.31Å; R32-D34 PolarHBondContact NH1-O 3.45Å; R32-E35 PolarHBondContact NH1-O 3.29Å; R32-E55 IonicContact CZ-OE2 2.7Å; R32-E55 IonicContact NE-OE2 3.15Å; R32-E55 PolarHBondContact NE-OE2 3.13Å; R32-E55 VanDerWaalsContact NE-OE2 3.15Å; R32-E55 PolarHBondContact NH2-O 3.39Å; R32-E55 IonicContact NH2-OE2 3.08Å; R32-E55 PolarHBondContact NH2-OE2 3.08Å
33I97.8Very high88.8Confident7 Ų735.3 Ų35.34%0.03619%0.185CC..  trans-92.8-46.8-179.1-58.8-54000109.6N31 V37 L39 V136 L140 I155 K158N31-I33 HydrophobicContact CB-CD1 4.48Å; N31-I33 PolarHBondContact O-N 3.42Å; I33-V37 HydrophobicContact CB-CG1 4.36Å; I33-V37 HydrophobicContact CG1-CG1 4.41Å; I33-V37 PolarHBondContact N-O 2.66Å; I33-L39 HydrophobicContact CD1-CB 3.93Å; I33-L39 HydrophobicContact CD1-CD2 4.29Å; I33-L39 HydrophobicContact CG1-CB 3.6Å; I33-V136 HydrophobicContact CB-CG1 4.45Å; I33-V136 HydrophobicContact CG1-CG1 4.25Å; I33-V136 HydrophobicContact CG2-CG1 4.06Å; I33-L140 HydrophobicContact CG2-CD1 3.93Å; I33-L140 HydrophobicContact CG2-CD2 4.49Å; I33-I155 HydrophobicContact CD1-CG2 4.13Å; I33-I155 HydrophobicContact CG2-CG1 4.14Å; I33-K158 HydrophobicContact CD1-CB 3.84Å; I33-K158 HydrophobicContact CD1-CG 4.46Å
34D97.1Very high90.2Very high23 Ų2335 Ų3512%0.12318%0.177CC..SBendtrans-147.6-163.5173.671.43.9000111R32 T36 V37 Y139 K143R32-D34 WeakPolarHBondContact CD-O 3.23Å; R32-D34 WeakPolarHBondContact CG-O 3.31Å; R32-D34 PolarHBondContact NH1-O 3.45Å; D34-T36 VanDerWaalsContact C-N 3.26Å; D34-T36 PolarHBondContact O-N 3.32Å; D34-T36 PolarHBondContact OD1-N 3.02Å; D34-V37 PolarHBondContact N-O 3.1Å; D34-V37 PolarHBondContact OD1-N 2.88Å; D34-Y139 VanDerWaalsContact OD2-CE1 3.27Å; D34-Y139 WeakPolarHBondContact OD2-CE1 3.45Å; D34-Y139 PolarHBondContact OD2-OH 3.43Å; D34-K143 IonicContact OD2-NZ 2.62Å; D34-K143 PolarHBondContact OD2-NZ 2.83Å
35E96.5Very high91.3Very high121 Ų12135.5 Ų35.557%0.56517%0.17SC*.SBendtrans-64.2-29.9-179.175.2-76.5-170.800113.2R32 K143R32-E35 PolarHBondContact NH1-O 3.29Å; E35-K143 WeakPolarHBondContact OE1-CE 2.78Å; E35-K143 IonicContact OE1-NZ 3.05Å; E35-K143 PolarHBondContact OE1-NZ 2.84Å; E35-K143 IonicContact OE2-NZ 2.69Å; E35-K143 PolarHBondContact OE2-NZ 2.71Å
36T97.8Very high92.6Very high2 Ų233.2 Ų33.21%0.01217%0.168CC..SBendtrans-99.7-38.7-175.9-52.20000111.8D34 I111 F114 E115 S120 V121 Y139D34-T36 VanDerWaalsContact C-N 3.26Å; D34-T36 PolarHBondContact O-N 3.32Å; D34-T36 PolarHBondContact OD1-N 3.02Å; T36-I111 HydrophobicContact CG2-CG2 4.21Å; T36-F114 HydrophobicContact CG2-CB 4.05Å; T36-E115 HydrophobicContact CG2-CG 4.4Å; T36-S120 CarbonylContact O-C 3.46Å; T36-S120 WeakPolarHBondContact O-CA 3.29Å; T36-S120 VanDerWaalsContact O-CB 3.29Å; T36-S120 WeakPolarHBondContact O-CB 3.1Å; T36-V121 PolarHBondContact O-N 3.36Å; T36-Y139 WeakPolarHBondContact CB-OH 3.32Å
37V98.5Very high93.7Very high0 Ų029 Ų290%015%0.145CC..EExtended strand (participates in β ladder)trans-108.1133.3-166.6172.30000113.3I33 D34 I111 V123 V136 Y139I33-V37 HydrophobicContact CB-CG1 4.36Å; I33-V37 HydrophobicContact CG1-CG1 4.41Å; I33-V37 PolarHBondContact N-O 2.66Å; D34-V37 PolarHBondContact N-O 3.1Å; D34-V37 PolarHBondContact OD1-N 2.88Å; V37-I111 HydrophobicContact CG2-CG2 3.37Å; V37-V123 HydrophobicContact CG1-CG2 3.97Å; V37-V136 HydrophobicContact CG1-CB 4.4Å; V37-V136 HydrophobicContact CG1-CG1 3.85Å; V37-V136 HydrophobicContact CG1-CG2 3.65Å; V37-Y139 HydrophobicContact CB-CD1 4.46Å; V37-Y139 HydrophobicContact CB-CE1 4.1Å; V37-Y139 HydrophobicContact CG2-CD1 3.65Å; V37-Y139 HydrophobicContact CG2-CE1 3.35Å; V37-Y139 HydrophobicContact CG2-CG 4.37Å
38I98.3Very high94.6Very high0 Ų029 Ų290%015%0.146CC..EExtended strand (participates in β ladder)trans-114128.5166.1-56.1169.8000108Y30 E55 V57 V121 Y122 V123Y30-I38 HydrophobicContact CD2-CG2 3.52Å; Y30-I38 HydrophobicContact CE2-CG2 4.4Å; Y30-I38 HydrophobicContact CG-CG2 4.05Å; I38-E55 HydrophobicContact CD1-CB 3.56Å; I38-E55 HydrophobicContact CD1-CG 4.09Å; I38-V57 HydrophobicContact CD1-CG2 3.87Å; I38-V121 PolarHBondContact N-O 2.8Å; I38-Y122 HydrophobicContact CB-CD2 4.02Å; I38-Y122 HydrophobicContact CG2-CD2 3.59Å; I38-Y122 HydrophobicContact CG2-CE2 3.85Å; I38-V123 PolarHBondContact O-N 3.25Å
39L98Very high95Very high0 Ų031 Ų310%015%0.154CC..EExtended strand (participates in β ladder)trans-107.5122.9178.1174.562.7000109.9Y30 N31 I33 V123 S132 V136 I155 I162Y30-L39 CarbonylContact C-O 3.44Å; Y30-L39 VanDerWaalsContact CA-O 3.3Å; Y30-L39 WeakPolarHBondContact CA-O 3.25Å; N31-L39 PolarHBondContact N-O 2.9Å; N31-L39 PolarHBondContact O-N 3.28Å; I33-L39 HydrophobicContact CD1-CB 3.93Å; I33-L39 HydrophobicContact CD1-CD2 4.29Å; I33-L39 HydrophobicContact CG1-CB 3.6Å; L39-V123 WeakPolarHBondContact CA-O 3.46Å; L39-S132 VanDerWaalsContact CD1-OG 3.24Å; L39-S132 WeakPolarHBondContact CD1-OG 3.31Å; L39-V136 HydrophobicContact CB-CG2 4.43Å; L39-V136 HydrophobicContact CD1-CG2 4.06Å; L39-I155 HydrophobicContact CD2-CG2 3.67Å; L39-I162 HydrophobicContact CD2-CG2 4.28Å
40G95.5Very high95.2Very high0 Ų034.1 Ų34.10%017%0.17CC..EExtended strand (participates in β ladder)trans-150.3174.9-17500000116.6W29 V123 H124 G128W29-G40 WeakPolarHBondContact O-CA 3.17Å; G40-V123 PolarHBondContact N-O 3.39Å; G40-H124 VanDerWaalsContact O-CA 3.3Å; G40-H124 WeakPolarHBondContact O-CA 3.47Å; G40-H124 VanDerWaalsContact O-CB 3.27Å; G40-H124 WeakPolarHBondContact O-CB 3.38Å; G40-G128 WeakPolarHBondContact O-CA 3.41Å; G40-G128 PolarHBondContact O-N 2.98Å
41A93.2Very high95.3Very high3 Ų332.6 Ų32.63%0.02516%0.164CC..SBendtrans-78.1177.3167.700000111W29 Y122 K126W29-A41 HydrophobicContact CD2-CB 3.82Å; W29-A41 VanDerWaalsContact CE2-CB 3.47Å; W29-A41 HydrophobicContact CE3-CB 4.28Å; W29-A41 HydrophobicContact CG-CB 4.27Å; W29-A41 HydrophobicContact CH2-CB 4.11Å; W29-A41 HydrophobicContact CZ2-CB 3.62Å; W29-A41 HydrophobicContact CZ3-CB 4.42Å; W29-A41 PolarHBondContact O-N 2.98Å; A41-Y122 WeakPolarHBondContact O-CE1 3.33Å; A41-Y122 PolarHBondContact O-OH 2.97Å; A41-K126 WeakPolarHBondContact CA-O 3.15Å; A41-K126 VanDerWaalsContact CB-O 3.3Å; A41-K126 WeakPolarHBondContact CB-O 3.39Å
42L92Very high95.4Very high1 Ų133 Ų331%0.00517%0.165CC..PPolyproline II helixtrans-52.8122.1-178.6-158.398.1000111.1W29 T64 V69 W73 A74 C125 K126W29-L42 VanDerWaalsContact CE2-O 3.29Å; W29-L42 VanDerWaalsContact CZ2-O 3.25Å; W29-L42 WeakPolarHBondContact CZ2-O 3.46Å; W29-L42 PolarHBondContact NE1-O 3.4Å; L42-T64 HydrophobicContact CD1-CG2 4.01Å; L42-V69 HydrophobicContact CD1-CG1 3.72Å; L42-W73 HydrophobicContact CD2-CE3 4.29Å; L42-W73 HydrophobicContact CD2-CH2 3.5Å; L42-W73 HydrophobicContact CD2-CZ3 3.29Å; L42-A74 HydrophobicContact CD2-CB 3.41Å; L42-A74 VanDerWaalsContact CD2-CB 3.41Å; L42-A74 HydrophobicContact CG-CB 4.42Å; L42-C125 PolarHBondContact N-O 3.46Å; L42-K126 PolarHBondContact N-O 3.02Å
43P92.6Very high95.3Very high0 Ų035.6 Ų35.60%018%0.181CC..PPolyproline II helixtrans-75.6135.8-178.929.4-32.6000111.2L51 A75 W80 Y122P43-L51 HydrophobicContact CB-CD1 4.12Å; P43-A75 HydrophobicContact CG-CB 4.37Å; P43-A75 PolarHBondContact O-N 3.32Å; P43-W80 HydrophobicContact CB-CH2 4.49Å; P43-W80 HydrophobicContact CB-CZ2 3.76Å; P43-W80 HydrophobicContact CG-CZ2 3.71Å; P43-Y122 HydrophobicContact CB-CE1 4.11Å; P43-Y122 HydrophobicContact CG-CE1 4.15Å
44F91.3Very high95.2Very high38 Ų3841.5 Ų41.517%0.16721%0.207CC..BIsolated β-bridgetrans-80.4154.6172-52-58.6000111L17 W29 S46 M47 W73L17-F44 HydrophobicContact CD2-CE1 3.83Å; L17-F44 HydrophobicContact CD2-CE2 4.25Å; L17-F44 HydrophobicContact CD2-CZ 3.27Å; W29-F44 HydrophobicContact CD2-CE2 4.16Å; W29-F44 HydrophobicContact CD2-CZ 4.43Å; W29-F44 AromaticContact CE2-CE2 3.63Å; W29-F44 AromaticContact CE2-CZ 3.66Å; W29-F44 HydrophobicContact CH2-CE1 4.42Å; W29-F44 HydrophobicContact CH2-CE2 4.18Å; W29-F44 AromaticContact CH2-CZ 3.51Å; W29-F44 HydrophobicContact CH2-CZ 3.51Å; W29-F44 AromaticContact CZ2-CE1 3.95Å; W29-F44 HydrophobicContact CZ2-CE1 3.95Å; W29-F44 AromaticContact CZ2-CE2 3.66Å; W29-F44 HydrophobicContact CZ2-CE2 3.66Å; W29-F44 AromaticContact CZ2-CZ 3.15Å; W29-F44 HydrophobicContact CZ2-CZ 3.15Å; W29-F44 HydrophobicContact CZ3-CZ 4.26Å; W29-F44 AromaticContact NE1-CE2 3.96Å; F44-S46 PolarHBondContact O-N 3.26Å; F44-M47 HydrophobicContact CB-CG 4.05Å; F44-M47 HydrophobicContact CB-SD 4.17Å; F44-M47 HydrophobicContact CD2-CG 3.96Å; F44-M47 HydrophobicContact CD2-SD 3.43Å; F44-M47 WeakPolarHBondContact CD2-SD 3.32Å; F44-M47 HydrophobicContact CE2-SD 4.07Å; F44-M47 HydrophobicContact CG-CG 4.47Å; F44-M47 HydrophobicContact CG-SD 4.1Å; F44-M47 PolarHBondContact N-SD 3.39Å; F44-M47 WeakPolarHBondContact O-CB 3.4Å; F44-M47 PolarHBondContact O-N 2.85Å; F44-W73 WeakPolarHBondContact CA-O 3.38Å; F44-W73 AromaticContact CD1-CE3 3.58Å; F44-W73 HydrophobicContact CD1-CE3 3.58Å; F44-W73 AromaticContact CD1-CZ3 3.85Å; F44-W73 HydrophobicContact CD1-CZ3 3.85Å; F44-W73 AromaticContact CE1-CE3 3.7Å; F44-W73 HydrophobicContact CE1-CE3 3.7Å; F44-W73 AromaticContact CE1-CZ3 3.57Å; F44-W73 HydrophobicContact CE1-CZ3 3.57Å
45K91.5Very high95.2Very high86 Ų8641.8 Ų41.837%0.37421%0.207SC..G310 helixtrans-55.4-35171.1-64.6-166.3-178.8-144.60112.6M47 I48 S72 W73 A74 A75 D79K45-M47 PolarHBondContact O-N 3.2Å; K45-I48 HydrophobicContact CB-CD1 4.46Å; K45-I48 WeakPolarHBondContact O-CG1 3.49Å; K45-I48 PolarHBondContact O-N 3.07Å; K45-S72 WeakPolarHBondContact CD-O 3.35Å; K45-S72 WeakPolarHBondContact CE-O 3.25Å; K45-W73 PolarHBondContact N-O 3.18Å; K45-A74 WeakPolarHBondContact CE-O 3.42Å; K45-A74 WeakPolarHBondContact CG-O 3.29Å; K45-A75 HydrophobicContact CG-CB 4.44Å; K45-D79 WeakPolarHBondContact CE-OD2 3.4Å; K45-D79 VanDerWaalsContact NZ-CG 3.28Å; K45-D79 IonicContact NZ-OD1 3.34Å; K45-D79 PolarHBondContact NZ-OD1 3.37Å; K45-D79 IonicContact NZ-OD2 3.69Å; K45-D79 PolarHBondContact NZ-OD2 3.03Å
46S92.1Very high95.3Very high104 Ų10440.8 Ų40.873%0.72720%0.202SC*.G310 helixtrans-66.2-19.7176.559.90000114F44F44-S46 PolarHBondContact O-N 3.26Å
47M93.7Very high95.3Very high15 Ų1540.8 Ų40.87%0.07420%0.202CC..G310 helixtrans-87.5-11.4179.9-64174.172.400113.2W29 Y30 F44 K45 N49 E50 L51W29-M47 VanDerWaalsContact CD1-CE 3.41Å; W29-M47 HydrophobicContact CG-CE 4.24Å; Y30-M47 HydrophobicContact CD1-CE 3.61Å; Y30-M47 HydrophobicContact CE1-CE 3.63Å; F44-M47 HydrophobicContact CB-CG 4.05Å; F44-M47 HydrophobicContact CB-SD 4.17Å; F44-M47 HydrophobicContact CD2-CG 3.96Å; F44-M47 HydrophobicContact CD2-SD 3.43Å; F44-M47 WeakPolarHBondContact CD2-SD 3.32Å; F44-M47 HydrophobicContact CE2-SD 4.07Å; F44-M47 HydrophobicContact CG-CG 4.47Å; F44-M47 HydrophobicContact CG-SD 4.1Å; F44-M47 PolarHBondContact N-SD 3.39Å; F44-M47 WeakPolarHBondContact O-CB 3.4Å; F44-M47 PolarHBondContact O-N 2.85Å; K45-M47 PolarHBondContact O-N 3.2Å; M47-N49 PolarHBondContact O-N 2.72Å; M47-E50 PolarHBondContact O-N 3.44Å; M47-L51 HydrophobicContact CB-CD1 3.99Å; M47-L51 HydrophobicContact CB-CG 4.35Å; M47-L51 HydrophobicContact CE-CD1 4.31Å; M47-L51 WeakPolarHBondContact O-CB 3.33Å; M47-L51 WeakPolarHBondContact O-CG 3.35Å; M47-L51 PolarHBondContact O-N 2.71Å
48I94.5Very high95.3Very high11 Ų1141.3 Ų41.36%0.05621%0.208CC..Hα-helixtrans-57.2-51-171.4-69.1174.2000111.3K45 L51 I52 A75 D79 W80 K83K45-I48 HydrophobicContact CB-CD1 4.46Å; K45-I48 WeakPolarHBondContact O-CG1 3.49Å; K45-I48 PolarHBondContact O-N 3.07Å; I48-L51 PolarHBondContact O-N 2.91Å; I48-I52 HydrophobicContact CG2-CD1 3.71Å; I48-I52 VanDerWaalsContact O-CG1 3.29Å; I48-I52 WeakPolarHBondContact O-CG1 3.4Å; I48-I52 PolarHBondContact O-N 3.28Å; I48-A75 HydrophobicContact CD1-CB 3.8Å; I48-A75 HydrophobicContact CG1-CB 3.9Å; I48-D79 HydrophobicContact CD1-CB 3.67Å; I48-W80 HydrophobicContact CB-CH2 4.35Å; I48-W80 HydrophobicContact CB-CZ3 4.21Å; I48-W80 HydrophobicContact CG1-CE3 4.38Å; I48-W80 HydrophobicContact CG1-CH2 3.86Å; I48-W80 HydrophobicContact CG1-CZ2 4.1Å; I48-W80 HydrophobicContact CG1-CZ3 4.01Å; I48-W80 HydrophobicContact CG2-CE3 4.25Å; I48-W80 HydrophobicContact CG2-CZ3 3.95Å; I48-K83 HydrophobicContact CG2-CG 3.84Å
49N95.5Very high95.3Very high78 Ų7841.3 Ų41.342%0.41721%0.208SC..Hα-helixtrans-66-41.5-178.8-64-19.9000111.2M47 L51 I52 E53 K83M47-N49 PolarHBondContact O-N 2.72Å; N49-L51 PolarHBondContact O-N 3.47Å; N49-I52 PolarHBondContact O-N 2.81Å; N49-E53 VanDerWaalsContact O-CB 3.28Å; N49-E53 WeakPolarHBondContact O-CB 3.44Å; N49-E53 WeakPolarHBondContact O-CG 3.3Å; N49-E53 PolarHBondContact O-N 2.86Å; N49-K83 PolarHBondContact OD1-NZ 3.19Å
50E95.3Very high95.3Very high81 Ų8141.3 Ų41.338%0.37921%0.208SC..Hα-helixtrans-58.2-47.7176-175-168.4152.900111.1Y30 M47 I52 K54Y30-E50 PolarHBondContact OH-OE1 3.49Å; M47-E50 PolarHBondContact O-N 3.44Å; E50-I52 PolarHBondContact O-N 3.27Å; E50-K54 HydrophobicContact CG-CB 4.5Å; E50-K54 HydrophobicContact CG-CD 4.28Å; E50-K54 WeakPolarHBondContact O-CB 3.49Å; E50-K54 PolarHBondContact O-N 3.47Å
51L96.9Very high95.4Very high0 Ų041.3 Ų41.30%021%0.208CC..Hα-helixtrans-65.2-37.7-179-72.5172.1000112.1Y30 P43 M47 I48 N49 E55 H56 V57 W80 Y122Y30-L51 HydrophobicContact CD1-CD2 4.33Å; Y30-L51 HydrophobicContact CE1-CD2 4Å; Y30-L51 HydrophobicContact CE2-CD2 4.39Å; P43-L51 HydrophobicContact CB-CD1 4.12Å; M47-L51 HydrophobicContact CB-CD1 3.99Å; M47-L51 HydrophobicContact CB-CG 4.35Å; M47-L51 HydrophobicContact CE-CD1 4.31Å; M47-L51 WeakPolarHBondContact O-CB 3.33Å; M47-L51 WeakPolarHBondContact O-CG 3.35Å; M47-L51 PolarHBondContact O-N 2.71Å; I48-L51 PolarHBondContact O-N 2.91Å; N49-L51 PolarHBondContact O-N 3.47Å; L51-E55 HydrophobicContact CD2-CG 4.36Å; L51-E55 CarbonylContact O-C 3.57Å; L51-E55 WeakPolarHBondContact O-CB 3.29Å; L51-E55 PolarHBondContact O-N 3.46Å; L51-H56 PolarHBondContact O-N 3.2Å; L51-V57 HydrophobicContact CB-CB 4.31Å; L51-V57 HydrophobicContact CB-CG2 4.01Å; L51-V57 HydrophobicContact CD2-CG2 4.43Å; L51-V57 VanDerWaalsContact O-CB 3.31Å; L51-V57 WeakPolarHBondContact O-CB 3.19Å; L51-V57 VanDerWaalsContact O-CG2 3.25Å; L51-V57 WeakPolarHBondContact O-CG2 3.47Å; L51-V57 PolarHBondContact O-N 3.12Å; L51-W80 HydrophobicContact CB-CH2 4.34Å; L51-W80 HydrophobicContact CD1-CH2 3.74Å; L51-W80 HydrophobicContact CD1-CZ2 4.4Å; L51-Y122 HydrophobicContact CD1-CD2 4.14Å; L51-Y122 HydrophobicContact CD1-CE2 4.1Å; L51-Y122 HydrophobicContact CD2-CD2 3.69Å; L51-Y122 HydrophobicContact CD2-CE2 3.73Å
52I97.4Very high95.5Very high37 Ų3741.2 Ų41.219%0.1921%0.207CC..Hα-helixtrans-73.9-47.2178.5-67.1169.7000111.4I48 N49 E50 H56 W80 K83 V85I48-I52 HydrophobicContact CG2-CD1 3.71Å; I48-I52 VanDerWaalsContact O-CG1 3.29Å; I48-I52 WeakPolarHBondContact O-CG1 3.4Å; I48-I52 PolarHBondContact O-N 3.28Å; N49-I52 PolarHBondContact O-N 2.81Å; E50-I52 PolarHBondContact O-N 3.27Å; I52-H56 VanDerWaalsContact O-CA 3.23Å; I52-H56 WeakPolarHBondContact O-CA 3.15Å; I52-H56 PolarHBondContact O-N 3.34Å; I52-W80 HydrophobicContact CG1-CZ3 4.46Å; I52-K83 HydrophobicContact CD1-CB 3.61Å; I52-K83 HydrophobicContact CD1-CG 4.1Å; I52-V85 HydrophobicContact CD1-CG2 3.64Å; I52-V85 HydrophobicContact CG1-CG2 3.8Å
53E96.6Very high95.5Very high140 Ų14041.1 Ų41.165%0.65421%0.206SC*.Hα-helixtrans-80.2-46.5-170.6-67.5172.6-165.400112.1N49 H56N49-E53 VanDerWaalsContact O-CB 3.28Å; N49-E53 WeakPolarHBondContact O-CB 3.44Å; N49-E53 WeakPolarHBondContact O-CG 3.3Å; N49-E53 PolarHBondContact O-N 2.86Å; E53-H56 PolarHBondContact O-CE1 3.36Å; E53-H56 PolarHBondContact O-ND1 2.94Å
54K96.1Very high95.2Very high132 Ų13241.1 Ų41.157%0.57421%0.206SC*.THydrogen-bonded Turntrans-87.8-40.8-174.7-175.9-174.8170.9-168.90112.5E50E50-K54 HydrophobicContact CG-CB 4.5Å; E50-K54 HydrophobicContact CG-CD 4.28Å; E50-K54 WeakPolarHBondContact O-CB 3.49Å; E50-K54 PolarHBondContact O-N 3.47Å
55E97.1Very high94.8Very high28 Ų2841.1 Ų41.113%0.13121%0.207CC..SBendtrans-100.5-0.8-174.7-62.8-64.4161.900113.1Y30 R32 I38 L51 V57 S120Y30-E55 HydrophobicContact CE2-CG 4Å; R32-E55 IonicContact CZ-OE2 2.7Å; R32-E55 IonicContact NE-OE2 3.15Å; R32-E55 PolarHBondContact NE-OE2 3.13Å; R32-E55 VanDerWaalsContact NE-OE2 3.15Å; R32-E55 PolarHBondContact NH2-O 3.39Å; R32-E55 IonicContact NH2-OE2 3.08Å; R32-E55 PolarHBondContact NH2-OE2 3.08Å; I38-E55 HydrophobicContact CD1-CB 3.56Å; I38-E55 HydrophobicContact CD1-CG 4.09Å; L51-E55 HydrophobicContact CD2-CG 4.36Å; L51-E55 CarbonylContact O-C 3.57Å; L51-E55 WeakPolarHBondContact O-CB 3.29Å; L51-E55 PolarHBondContact O-N 3.46Å; E55-V57 HydrophobicContact CB-CG2 4.14Å; E55-V57 PolarHBondContact O-N 3.41Å; E55-S120 WeakPolarHBondContact O-CB 3.35Å; E55-S120 PolarHBondContact O-OG 2.83Å
56H97.5Very high94.1Very high101 Ų10139.2 Ų39.247%0.46820%0.203SC..  trans55.435.1179.8-57.3-48.9000113.7L51 I52 E53 G58 K119 S120L51-H56 PolarHBondContact O-N 3.2Å; I52-H56 VanDerWaalsContact O-CA 3.23Å; I52-H56 WeakPolarHBondContact O-CA 3.15Å; I52-H56 PolarHBondContact O-N 3.34Å; E53-H56 PolarHBondContact O-CE1 3.36Å; E53-H56 PolarHBondContact O-ND1 2.94Å; H56-G58 PolarHBondContact O-N 2.95Å; H56-K119 CarbonylContact O-C 3.59Å; H56-K119 VanDerWaalsContact O-CA 3.29Å; H56-K119 WeakPolarHBondContact O-CA 3.4Å; H56-K119 WeakPolarHBondContact O-CD 3.34Å; H56-S120 PolarHBondContact O-N 2.97Å; H56-S120 PolarHBondContact O-OG 2.93Å
57V98Very high93.1Very high2 Ų236.4 Ų36.41%0.01218%0.179CC..EExtended strand (participates in β ladder)trans-64118.4-179.8173.70000110.3I38 L51 E55 G59 I60 V85 S120I38-V57 HydrophobicContact CD1-CG2 3.87Å; L51-V57 HydrophobicContact CB-CB 4.31Å; L51-V57 HydrophobicContact CB-CG2 4.01Å; L51-V57 HydrophobicContact CD2-CG2 4.43Å; L51-V57 VanDerWaalsContact O-CB 3.31Å; L51-V57 WeakPolarHBondContact O-CB 3.19Å; L51-V57 VanDerWaalsContact O-CG2 3.25Å; L51-V57 WeakPolarHBondContact O-CG2 3.47Å; L51-V57 PolarHBondContact O-N 3.12Å; E55-V57 HydrophobicContact CB-CG2 4.14Å; E55-V57 PolarHBondContact O-N 3.41Å; V57-G59 WeakPolarHBondContact CG1-O 3.23Å; V57-I60 HydrophobicContact CG1-CD1 3.6Å; V57-V85 HydrophobicContact CG1-CG1 4.23Å; V57-S120 WeakPolarHBondContact CA-O 3.22Å; V57-S120 WeakPolarHBondContact CA-OG 3.24Å; V57-S120 WeakPolarHBondContact CG2-OG 3.42Å; V57-S120 PolarHBondContact N-OG 3.33Å
58G97.8Very high91.8Very high11 Ų1135.8 Ų35.811%0.11318%0.175CC..EExtended strand (participates in β ladder)trans-112.7-12.2172.900000113.4H56 S86 F114 S120H56-G58 PolarHBondContact O-N 2.95Å; G58-S86 PolarHBondContact O-N 2.95Å; G58-F114 WeakPolarHBondContact O-CE1 3.47Å; G58-F114 WeakPolarHBondContact O-CZ 3.48Å; G58-S120 PolarHBondContact N-O 3.28Å
59G98.1Very high90.6Very high0 Ų035.7 Ų35.70%018%0.176CC..EExtended strand (participates in β ladder)trans-137.8144.6176.700000113.3V57 S86 S120 V121 Y122V57-G59 WeakPolarHBondContact CG1-O 3.23Å; G59-S86 CarbonylContact C-O 3.47Å; G59-S86 VanDerWaalsContact CA-O 3.28Å; G59-S86 WeakPolarHBondContact CA-O 3.29Å; G59-S120 PolarHBondContact N-O 2.92Å; G59-V121 CarbonylContact O-C 3.54Å; G59-V121 VanDerWaalsContact O-CA 3.24Å; G59-V121 WeakPolarHBondContact O-CA 3.4Å; G59-Y122 PolarHBondContact O-N 3.02Å
60I98Very high89.4Confident0 Ų039 Ų390%019%0.188CC..EExtended strand (participates in β ladder)trans-116.9129.7169.9-55.9-60.1000109V57 W80 V85 S86 Y87 Y88 F110 Y122V57-I60 HydrophobicContact CG1-CD1 3.6Å; I60-W80 HydrophobicContact CD1-CD2 3.83Å; I60-W80 HydrophobicContact CD1-CE3 3.88Å; I60-W80 HydrophobicContact CD1-CH2 3.75Å; I60-W80 HydrophobicContact CD1-CZ2 3.7Å; I60-W80 HydrophobicContact CD1-CZ3 3.84Å; I60-W80 HydrophobicContact CG1-CB 4.35Å; I60-W80 HydrophobicContact CG1-CD2 3.45Å; I60-W80 VanDerWaalsContact CG1-CD2 3.45Å; I60-W80 HydrophobicContact CG1-CE3 3.82Å; I60-W80 HydrophobicContact CG1-CG 3.68Å; I60-W80 HydrophobicContact CG1-CH2 4.46Å; I60-W80 HydrophobicContact CG1-CZ2 4.15Å; I60-W80 HydrophobicContact CG1-CZ3 4.32Å; I60-V85 HydrophobicContact CD1-CG1 4.26Å; I60-V85 HydrophobicContact CG1-CG1 3.75Å; I60-S86 PolarHBondContact N-O 3.01Å; I60-Y87 HydrophobicContact CB-CD2 3.75Å; I60-Y87 HydrophobicContact CB-CE2 4.19Å; I60-Y87 HydrophobicContact CG1-CD2 4.4Å; I60-Y87 HydrophobicContact CG2-CD2 3.85Å; I60-Y87 HydrophobicContact CG2-CE2 3.73Å; I60-Y88 PolarHBondContact O-N 3.04Å; I60-F110 WeakPolarHBondContact O-CE1 3.25Å; I60-Y122 HydrophobicContact CD1-CG 4.46Å
61L97.6Very high88.2Confident0 Ų036.6 Ų36.60%018%0.177CC..EExtended strand (participates in β ladder)trans-112.8105.5169.7-163.5167.1000109.1T63 Y88 A107 F110 I111 V121 Y122 V123 H124 I135L61-T63 HydrophobicContact CD2-CG2 3.48Å; L61-T63 VanDerWaalsContact CD2-CG2 3.48Å; L61-Y88 WeakPolarHBondContact CA-O 3.4Å; L61-Y88 HydrophobicContact CD1-CD1 4.49Å; L61-Y88 HydrophobicContact CG-CD1 4.05Å; L61-A107 HydrophobicContact CD1-CB 3.82Å; L61-A107 WeakPolarHBondContact CD1-O 3.24Å; L61-F110 HydrophobicContact CB-CD1 4.26Å; L61-F110 HydrophobicContact CB-CE1 4.24Å; L61-F110 HydrophobicContact CD1-CD1 4.22Å; L61-F110 HydrophobicContact CG-CD1 4.4Å; L61-I111 HydrophobicContact CD1-CD1 3.84Å; L61-I111 HydrophobicContact CD1-CG1 3.79Å; L61-V121 HydrophobicContact CB-CG1 4.25Å; L61-Y122 PolarHBondContact N-O 3Å; L61-V123 HydrophobicContact CB-CB 4.42Å; L61-V123 HydrophobicContact CB-CG1 4.16Å; L61-V123 HydrophobicContact CB-CG2 4.18Å; L61-V123 HydrophobicContact CD1-CG1 4.43Å; L61-V123 HydrophobicContact CD2-CG1 4.13Å; L61-V123 HydrophobicContact CG-CG1 4.46Å; L61-H124 PolarHBondContact O-N 2.86Å; L61-I135 HydrophobicContact CD1-CG2 3.96Å
62C95.8Very high87.1Confident0 Ų041.8 Ų41.80%021%0.213CC..EExtended strand (participates in β ladder)trans-96.2120.8-178.3177.20000110.4T64 Y87 Y88 L90C62-T64 PolarHBondContact SG-OG1 3.37Å; C62-Y87 HydrophobicContact CB-CE1 4.15Å; C62-Y87 HydrophobicContact CB-CE2 4.08Å; C62-Y87 WeakPolarHBondContact CB-OH 3.39Å; C62-Y87 PolarHBondContact SG-OH 2.8Å; C62-Y88 PolarHBondContact N-O 3.46Å; C62-L90 PolarHBondContact O-N 2.76Å
63T92.1Very high86.4Confident0 Ų044.1 Ų44.10%022%0.22CC..  trans-105.912.1176.559.80000114.1L61 L90 I92 H124 C125 R131 S132 I135L61-T63 HydrophobicContact CD2-CG2 3.48Å; L61-T63 VanDerWaalsContact CD2-CG2 3.48Å; T63-L90 CarbonylContact C-O 3.58Å; T63-L90 WeakPolarHBondContact CA-O 3.41Å; T63-I92 HydrophobicContact CG2-CD1 4.42Å; T63-I92 PolarHBondContact O-N 3.36Å; T63-H124 PolarHBondContact N-O 3.22Å; T63-H124 PolarHBondContact OG1-O 3.36Å; T63-C125 WeakPolarHBondContact OG1-CA 3.45Å; T63-C125 WeakPolarHBondContact OG1-CB 3.4Å; T63-R131 PolarHBondContact O-NH1 2.97Å; T63-S132 PolarHBondContact OG1-N 3.01Å; T63-I135 HydrophobicContact CG2-CG1 4.05Å
64T87.4Confident85.9Confident0 Ų037.5 Ų37.50%019%0.189CC..SBendtrans-92154.8179.960.10000112.4L42 C62 E68 V69 W89 C125L42-T64 HydrophobicContact CD1-CG2 4.01Å; C62-T64 PolarHBondContact SG-OG1 3.37Å; T64-E68 VanDerWaalsContact CA-OE2 3.29Å; T64-E68 WeakPolarHBondContact CA-OE2 3.25Å; T64-E68 VanDerWaalsContact CB-OE2 3.24Å; T64-E68 WeakPolarHBondContact CB-OE2 3.41Å; T64-E68 HydrophobicContact CG2-CB 4.39Å; T64-V69 WeakPolarHBondContact OG1-CG1 3.34Å; T64-W89 PolarHBondContact O-NE1 3.05Å; T64-C125 VanDerWaalsContact CG2-CA 3.47Å; T64-C125 HydrophobicContact CG2-CB 4.28Å
65E83.1Confident85.6Confident37 Ų3731.2 Ų31.217%0.17316%0.162CC..  trans-71.9158170.9-70.3-177.389.700111.2H67 E68 R93E65-H67 VanDerWaalsContact C-N 3.32Å; E65-H67 WeakPolarHBondContact CB-CE1 3.43Å; E65-H67 WeakPolarHBondContact CB-ND1 3.29Å; E65-H67 PolarHBondContact O-N 3.34Å; E65-H67 IonicContact OE1-CE1 2.98Å; E65-H67 IonicContact OE2-CE1 3.59Å; E65-E68 HydrophobicContact CB-CG 4.31Å; E65-E68 PolarHBondContact N-OE2 2.89Å; E65-E68 WeakPolarHBondContact O-CB 3.31Å; E65-E68 PolarHBondContact O-N 2.99Å; E65-R93 WeakPolarHBondContact OE2-CA 3.21Å; E65-R93 WeakPolarHBondContact OE2-CG 3.4Å
66P75Confident85.2Confident46 Ų4630.9 Ų30.930%0.29916%0.163SC..Hα-helixtrans-55.6-44.3-173.8-8.87.3000113.3E68 V69 E70 W89P66-E68 PolarHBondContact O-N 3.34Å; P66-V69 WeakPolarHBondContact O-CG2 3.14Å; P66-V69 PolarHBondContact O-N 3.38Å; P66-E70 VanDerWaalsContact CB-OE1 3.28Å; P66-E70 WeakPolarHBondContact CB-OE1 3.37Å; P66-E70 WeakPolarHBondContact O-CB 3.4Å; P66-E70 VanDerWaalsContact O-CG 3.25Å; P66-E70 WeakPolarHBondContact O-CG 3.28Å; P66-E70 PolarHBondContact O-N 3.04Å; P66-W89 HydrophobicContact CB-CH2 3.83Å; P66-W89 HydrophobicContact CB-CZ2 3.81Å; P66-W89 HydrophobicContact CG-CH2 3.62Å; P66-W89 HydrophobicContact CG-CZ2 3.6Å
67H72.5Confident84.9Confident46 Ų4630.4 Ų30.421%0.21316%0.16CC..Hα-helixtrans-63.2-16.9-179.570.6-85.9000114M1 E65 H71M1-H67 WeakPolarHBondContact CE-CE1 3.38Å; M1-H67 WeakPolarHBondContact CE-NE2 3.47Å; M1-H67 PolarHBondContact SD-CE1 3.38Å; M1-H67 PolarHBondContact SD-ND1 2.92Å; M1-H67 VanDerWaalsContact SD-ND1 3.44Å; M1-H67 PolarHBondContact SD-NE2 2.96Å; E65-H67 VanDerWaalsContact C-N 3.32Å; E65-H67 WeakPolarHBondContact CB-CE1 3.43Å; E65-H67 WeakPolarHBondContact CB-ND1 3.29Å; E65-H67 PolarHBondContact O-N 3.34Å; E65-H67 IonicContact OE1-CE1 2.98Å; E65-H67 IonicContact OE2-CE1 3.59Å; H67-H71 PolarHBondContact O-NE2 3.41Å
68E65Low84.6Confident1 Ų136.7 Ų36.71%0.00519%0.189CC..Hα-helixtrans-85-19.6177.6-55.9-17685.200112.5F9 T64 E65 P66 R131F9-E68 HydrophobicContact CD2-CB 4.47Å; F9-E68 HydrophobicContact CD2-CG 3.86Å; F9-E68 HydrophobicContact CE2-CB 3.57Å; F9-E68 HydrophobicContact CE2-CG 3.39Å; F9-E68 VanDerWaalsContact CE2-OE1 3.32Å; F9-E68 WeakPolarHBondContact CE2-OE1 3.26Å; F9-E68 HydrophobicContact CZ-CB 3.8Å; F9-E68 HydrophobicContact CZ-CG 4.1Å; T64-E68 VanDerWaalsContact CA-OE2 3.29Å; T64-E68 WeakPolarHBondContact CA-OE2 3.25Å; T64-E68 VanDerWaalsContact CB-OE2 3.24Å; T64-E68 WeakPolarHBondContact CB-OE2 3.41Å; T64-E68 HydrophobicContact CG2-CB 4.39Å; E65-E68 HydrophobicContact CB-CG 4.31Å; E65-E68 PolarHBondContact N-OE2 2.89Å; E65-E68 WeakPolarHBondContact O-CB 3.31Å; E65-E68 PolarHBondContact O-N 2.99Å; P66-E68 PolarHBondContact O-N 3.34Å; E68-R131 IonicContact OE1-CZ 2.97Å; E68-R131 IonicContact OE1-NH1 3.86Å; E68-R131 IonicContact OE1-NH2 2.99Å; E68-R131 PolarHBondContact OE1-NH2 2.92Å; E68-R131 IonicContact OE2-CZ 2.83Å; E68-R131 IonicContact OE2-NH1 2.79Å; E68-R131 PolarHBondContact OE2-NH1 3.46Å; E68-R131 IonicContact OE2-NH2 3.34Å; E68-R131 PolarHBondContact OE2-NH2 3.36Å
69V70Confident84.4Confident10 Ų1038.1 Ų38.16%0.06119%0.194CC..Hα-helixtrans-112.5-16.3-176.7-74.90000113.6L42 T64 P66 H71L42-V69 HydrophobicContact CD1-CG1 3.72Å; T64-V69 WeakPolarHBondContact OG1-CG1 3.34Å; P66-V69 WeakPolarHBondContact O-CG2 3.14Å; P66-V69 PolarHBondContact O-N 3.38Å; V69-H71 PolarHBondContact O-N 2.92Å
70E69.6Low84.2Confident146 Ų14638.1 Ų38.168%0.68219%0.194SC*.  trans-7641.2178-73.3170.9-166.400112.9P66P66-E70 VanDerWaalsContact CB-OE1 3.28Å; P66-E70 WeakPolarHBondContact CB-OE1 3.37Å; P66-E70 WeakPolarHBondContact O-CB 3.4Å; P66-E70 VanDerWaalsContact O-CG 3.25Å; P66-E70 WeakPolarHBondContact O-CG 3.28Å; P66-E70 PolarHBondContact O-N 3.04Å
71H71.4Confident84.1Confident32 Ų3242.7 Ų42.715%0.14822%0.216CC..SBendtrans-112140.9174.3-59.3-47.6000110.3F9 Y10 H67 V69 W73 A74F9-H71 AromaticContact CE1-NE2 3.57Å; Y10-H71 AromaticContact CZ-CE1 3.88Å; Y10-H71 PolarHBondContact OH-CE1 3.38Å; H67-H71 PolarHBondContact O-NE2 3.41Å; V69-H71 PolarHBondContact O-N 2.92Å; H71-W73 HydrophobicContact CB-CD2 4.11Å; H71-W73 HydrophobicContact CB-CG 4.29Å; H71-W73 HydrophobicContact CB-CZ2 3.93Å; H71-W73 AromaticContact CD2-CZ2 3.47Å; H71-W73 VanDerWaalsContact CD2-CZ2 3.47Å; H71-W73 WeakPolarHBondContact CD2-CZ2 3.47Å; H71-W73 AromaticContact CG-CE2 3.97Å; H71-W73 AromaticContact CG-CZ2 3.9Å; H71-W73 AromaticContact CG-NE1 3.89Å; H71-W73 PolarHBondContact O-N 2.97Å; H71-A74 HydrophobicContact CB-CB 4.31Å; H71-A74 PolarHBondContact O-N 3.05Å
72S73.7Confident84Confident108 Ų10846.8 Ų46.876%0.75525%0.249SC*.THydrogen-bonded Turntrans-58.6-21.5-177.355.90000114.6K45K45-S72 WeakPolarHBondContact CD-O 3.35Å; K45-S72 WeakPolarHBondContact CE-O 3.25Å
73W81.4Confident84Confident87 Ų8752.3 Ų52.333%0.3327%0.273SS..THydrogen-bonded Turntrans-93.1-19.7179.853.6-98.5000113.6L13 L42 F44 K45 H71L13-W73 HydrophobicContact CD1-CH2 4.26Å; L13-W73 HydrophobicContact CD2-CH2 3.3Å; L13-W73 HydrophobicContact CD2-CZ2 3.45Å; L13-W73 VanDerWaalsContact CD2-CZ2 3.45Å; L13-W73 HydrophobicContact CD2-CZ3 4.46Å; L13-W73 HydrophobicContact CG-CH2 4.31Å; L42-W73 HydrophobicContact CD2-CE3 4.29Å; L42-W73 HydrophobicContact CD2-CH2 3.5Å; L42-W73 HydrophobicContact CD2-CZ3 3.29Å; F44-W73 WeakPolarHBondContact CA-O 3.38Å; F44-W73 AromaticContact CD1-CE3 3.58Å; F44-W73 HydrophobicContact CD1-CE3 3.58Å; F44-W73 AromaticContact CD1-CZ3 3.85Å; F44-W73 HydrophobicContact CD1-CZ3 3.85Å; F44-W73 AromaticContact CE1-CE3 3.7Å; F44-W73 HydrophobicContact CE1-CE3 3.7Å; F44-W73 AromaticContact CE1-CZ3 3.57Å; F44-W73 HydrophobicContact CE1-CZ3 3.57Å; K45-W73 PolarHBondContact N-O 3.18Å; H71-W73 HydrophobicContact CB-CD2 4.11Å; H71-W73 HydrophobicContact CB-CG 4.29Å; H71-W73 HydrophobicContact CB-CZ2 3.93Å; H71-W73 AromaticContact CD2-CZ2 3.47Å; H71-W73 VanDerWaalsContact CD2-CZ2 3.47Å; H71-W73 WeakPolarHBondContact CD2-CZ2 3.47Å; H71-W73 AromaticContact CG-CE2 3.97Å; H71-W73 AromaticContact CG-CZ2 3.9Å; H71-W73 AromaticContact CG-NE1 3.89Å; H71-W73 PolarHBondContact O-N 2.97Å
74A87Confident84.2Confident0 Ų055.6 Ų55.60%031%0.308CS..BIsolated β-bridgetrans-83.1140.7178.200000110L42 K45 H71 A76L42-A74 HydrophobicContact CD2-CB 3.41Å; L42-A74 VanDerWaalsContact CD2-CB 3.41Å; L42-A74 HydrophobicContact CG-CB 4.42Å; K45-A74 WeakPolarHBondContact CE-O 3.42Å; K45-A74 WeakPolarHBondContact CG-O 3.29Å; H71-A74 HydrophobicContact CB-CB 4.31Å; H71-A74 PolarHBondContact O-N 3.05Å; A74-A76 PolarHBondContact O-N 2.79Å
75A89.2Confident84.7Confident1 Ų155.9 Ų55.91%0.00831%0.309CS..  trans-75.6107.6173.500000109.4P43 K45 I48 W80P43-A75 HydrophobicContact CG-CB 4.37Å; P43-A75 PolarHBondContact O-N 3.32Å; K45-A75 HydrophobicContact CG-CB 4.44Å; I48-A75 HydrophobicContact CD1-CB 3.8Å; I48-A75 HydrophobicContact CG1-CB 3.9Å; A75-W80 HydrophobicContact CB-CZ2 3.76Å; A75-W80 PolarHBondContact O-NE1 2.88Å
76A88.6Confident85.3Confident20 Ų2057 Ų5717%0.16532%0.321CS..  trans-85.9172.2178.100000110.9A74 Q78 D79 W80A74-A76 PolarHBondContact O-N 2.79Å; A76-Q78 VanDerWaalsContact C-N 3.25Å; A76-Q78 PolarHBondContact O-N 2.91Å; A76-D79 PolarHBondContact N-OD2 3.09Å; A76-D79 WeakPolarHBondContact O-CB 3.42Å; A76-D79 PolarHBondContact O-N 2.75Å; A76-W80 PolarHBondContact O-N 2.97Å
77K91.7Very high86.4Confident92 Ų9256.1 Ų56.140%0.431%0.312SS..Hα-helixtrans-47.9-46.7179177.6174.8175.7-178.40112.6D79 W80 E81 Y87K77-D79 VanDerWaalsContact C-N 3.31Å; K77-D79 PolarHBondContact O-N 3.26Å; K77-W80 PolarHBondContact O-N 3.09Å; K77-E81 WeakPolarHBondContact CE-OE1 3.3Å; K77-E81 WeakPolarHBondContact CE-OE2 3.5Å; K77-E81 HydrophobicContact CG-CG 4.27Å; K77-E81 IonicContact NZ-OE1 3.25Å; K77-E81 WeakPolarHBondContact O-CG 3.46Å; K77-E81 PolarHBondContact O-N 3.22Å; K77-Y87 HydrophobicContact CB-CD1 3.85Å; K77-Y87 HydrophobicContact CB-CD2 4.34Å; K77-Y87 HydrophobicContact CB-CE1 3.79Å; K77-Y87 HydrophobicContact CB-CE2 4.33Å; K77-Y87 HydrophobicContact CB-CG 4.11Å; K77-Y87 HydrophobicContact CD-CD1 3.87Å; K77-Y87 HydrophobicContact CD-CE1 4.28Å; K77-Y87 HydrophobicContact CG-CD1 3.63Å; K77-Y87 HydrophobicContact CG-CD2 4.49Å; K77-Y87 HydrophobicContact CG-CE1 4.08Å; K77-Y87 HydrophobicContact CG-CG 3.85Å
78Q92.2Very high87.5Confident133 Ų13356.6 Ų56.662%0.62131%0.313SS*.Hα-helixtrans-64.3-35.3-177.9-60.586-5.700112.6A76 W80 A82A76-Q78 VanDerWaalsContact C-N 3.25Å; A76-Q78 PolarHBondContact O-N 2.91Å; Q78-W80 VanDerWaalsContact C-N 3.3Å; Q78-W80 PolarHBondContact O-N 2.8Å; Q78-A82 WeakPolarHBondContact O-CB 3.42Å; Q78-A82 PolarHBondContact O-N 2.85Å
79D92.8Very high88.9Confident41 Ų4162 Ų6222%0.21933%0.333CS..Hα-helixtrans-66.2-36.1179.4-58.3-66000111.2K45 I48 A76 K77K45-D79 WeakPolarHBondContact CE-OD2 3.4Å; K45-D79 VanDerWaalsContact NZ-CG 3.28Å; K45-D79 IonicContact NZ-OD1 3.34Å; K45-D79 PolarHBondContact NZ-OD1 3.37Å; K45-D79 IonicContact NZ-OD2 3.69Å; K45-D79 PolarHBondContact NZ-OD2 3.03Å; I48-D79 HydrophobicContact CD1-CB 3.67Å; A76-D79 PolarHBondContact N-OD2 3.09Å; A76-D79 WeakPolarHBondContact O-CB 3.42Å; A76-D79 PolarHBondContact O-N 2.75Å; K77-D79 VanDerWaalsContact C-N 3.31Å; K77-D79 PolarHBondContact O-N 3.26Å
80W95.2Very high89.9Confident0 Ų061.9 Ų61.90%033%0.332CS..Hα-helixtrans-74.4-47.3177-67.5114.4000112.7P43 I48 L51 I52 I60 A75 A76 K77 Q78 A82 K83 G84 V85 Y87P43-W80 HydrophobicContact CB-CH2 4.49Å; P43-W80 HydrophobicContact CB-CZ2 3.76Å; P43-W80 HydrophobicContact CG-CZ2 3.71Å; I48-W80 HydrophobicContact CB-CH2 4.35Å; I48-W80 HydrophobicContact CB-CZ3 4.21Å; I48-W80 HydrophobicContact CG1-CE3 4.38Å; I48-W80 HydrophobicContact CG1-CH2 3.86Å; I48-W80 HydrophobicContact CG1-CZ2 4.1Å; I48-W80 HydrophobicContact CG1-CZ3 4.01Å; I48-W80 HydrophobicContact CG2-CE3 4.25Å; I48-W80 HydrophobicContact CG2-CZ3 3.95Å; L51-W80 HydrophobicContact CB-CH2 4.34Å; L51-W80 HydrophobicContact CD1-CH2 3.74Å; L51-W80 HydrophobicContact CD1-CZ2 4.4Å; I52-W80 HydrophobicContact CG1-CZ3 4.46Å; I60-W80 HydrophobicContact CD1-CD2 3.83Å; I60-W80 HydrophobicContact CD1-CE3 3.88Å; I60-W80 HydrophobicContact CD1-CH2 3.75Å; I60-W80 HydrophobicContact CD1-CZ2 3.7Å; I60-W80 HydrophobicContact CD1-CZ3 3.84Å; I60-W80 HydrophobicContact CG1-CB 4.35Å; I60-W80 HydrophobicContact CG1-CD2 3.45Å; I60-W80 VanDerWaalsContact CG1-CD2 3.45Å; I60-W80 HydrophobicContact CG1-CE3 3.82Å; I60-W80 HydrophobicContact CG1-CG 3.68Å; I60-W80 HydrophobicContact CG1-CH2 4.46Å; I60-W80 HydrophobicContact CG1-CZ2 4.15Å; I60-W80 HydrophobicContact CG1-CZ3 4.32Å; A75-W80 HydrophobicContact CB-CZ2 3.76Å; A75-W80 PolarHBondContact O-NE1 2.88Å; A76-W80 PolarHBondContact O-N 2.97Å; K77-W80 PolarHBondContact O-N 3.09Å; Q78-W80 VanDerWaalsContact C-N 3.3Å; Q78-W80 PolarHBondContact O-N 2.8Å; W80-A82 VanDerWaalsContact C-N 3.29Å; W80-A82 PolarHBondContact O-N 2.81Å; W80-K83 CarbonylContact O-C 3.55Å; W80-K83 WeakPolarHBondContact O-CA 3.24Å; W80-K83 PolarHBondContact O-N 2.77Å; W80-G84 PolarHBondContact O-N 2.93Å; W80-V85 HydrophobicContact CB-CB 4.21Å; W80-V85 HydrophobicContact CB-CG1 4.47Å; W80-V85 HydrophobicContact CE3-CB 4.1Å; W80-V85 HydrophobicContact CE3-CG1 4.01Å; W80-V85 HydrophobicContact CE3-CG2 4.13Å; W80-V85 WeakPolarHBondContact O-CB 3.33Å; W80-V85 PolarHBondContact O-N 3.27Å; W80-Y87 HydrophobicContact CB-CD2 4.24Å; W80-Y87 AromaticContact CD1-CD2 3.7Å; W80-Y87 AromaticContact CD1-CE2 3.75Å; W80-Y87 HydrophobicContact CG-CD2 4.19Å
81E94.6Very high90.8Very high96 Ų9658.1 Ų58.145%0.44932%0.32SS..Hα-helixtrans-63.3-36.5179.1-71.5-179.6151.700111.5K77 K83 G84K77-E81 WeakPolarHBondContact CE-OE1 3.3Å; K77-E81 WeakPolarHBondContact CE-OE2 3.5Å; K77-E81 HydrophobicContact CG-CG 4.27Å; K77-E81 IonicContact NZ-OE1 3.25Å; K77-E81 WeakPolarHBondContact O-CG 3.46Å; K77-E81 PolarHBondContact O-N 3.22Å; E81-K83 PolarHBondContact O-N 3.49Å; E81-K83 VanDerWaalsContact O-N 3.1Å; E81-G84 PolarHBondContact O-N 3.31Å
82A95.3Very high91.4Very high86 Ų8656.8 Ų56.871%0.71131%0.314SS*.THydrogen-bonded Turntrans-61-18.4173.300000113.6Q78 W80Q78-A82 WeakPolarHBondContact O-CB 3.42Å; Q78-A82 PolarHBondContact O-N 2.85Å; W80-A82 VanDerWaalsContact C-N 3.29Å; W80-A82 PolarHBondContact O-N 2.81Å
83K96.1Very high91.4Very high116 Ų11656 Ų5650%0.50430%0.295SS..THydrogen-bonded Turntrans-103.38.3175.7-63.9-70.3-173.4164.30113.2I48 N49 I52 W80 E81 V85I48-K83 HydrophobicContact CG2-CG 3.84Å; N49-K83 PolarHBondContact OD1-NZ 3.19Å; I52-K83 HydrophobicContact CD1-CB 3.61Å; I52-K83 HydrophobicContact CD1-CG 4.1Å; W80-K83 CarbonylContact O-C 3.55Å; W80-K83 WeakPolarHBondContact O-CA 3.24Å; W80-K83 PolarHBondContact O-N 2.77Å; E81-K83 PolarHBondContact O-N 3.49Å; E81-K83 VanDerWaalsContact O-N 3.1Å; K83-V85 VanDerWaalsContact C-N 3.27Å; K83-V85 HydrophobicContact CB-CG2 4.36Å; K83-V85 PolarHBondContact O-N 2.92Å
84G96.2Very high90.8Very high70 Ų7053.2 Ų53.272%0.72229%0.286SS*.THydrogen-bonded Turntrans72.218.9-178.500000114W80 E81W80-G84 PolarHBondContact O-N 2.93Å; E81-G84 PolarHBondContact O-N 3.31Å
85V97.4Very high89.7Confident5 Ų557.7 Ų57.73%0.0331%0.306CS..  trans-91.1128.2176.8179.70000108.9I52 V57 I60 W80 K83I52-V85 HydrophobicContact CD1-CG2 3.64Å; I52-V85 HydrophobicContact CG1-CG2 3.8Å; V57-V85 HydrophobicContact CG1-CG1 4.23Å; I60-V85 HydrophobicContact CD1-CG1 4.26Å; I60-V85 HydrophobicContact CG1-CG1 3.75Å; W80-V85 HydrophobicContact CB-CB 4.21Å; W80-V85 HydrophobicContact CB-CG1 4.47Å; W80-V85 HydrophobicContact CE3-CB 4.1Å; W80-V85 HydrophobicContact CE3-CG1 4.01Å; W80-V85 HydrophobicContact CE3-CG2 4.13Å; W80-V85 WeakPolarHBondContact O-CB 3.33Å; W80-V85 PolarHBondContact O-N 3.27Å; K83-V85 VanDerWaalsContact C-N 3.27Å; K83-V85 HydrophobicContact CB-CG2 4.36Å; K83-V85 PolarHBondContact O-N 2.92Å
86S97.4Very high88.6Confident60 Ų6063.1 Ų63.142%0.4233%0.329SS..EExtended strand (participates in β ladder)trans-69.6141.7178.2-61.70000110.6G58 G59 I60G58-S86 PolarHBondContact O-N 2.95Å; G59-S86 CarbonylContact C-O 3.47Å; G59-S86 VanDerWaalsContact CA-O 3.28Å; G59-S86 WeakPolarHBondContact CA-O 3.29Å; I60-S86 PolarHBondContact N-O 3.01Å
87Y96.6Very high87.9Confident29 Ų2966.8 Ų66.811%0.11434%0.34CS..EExtended strand (participates in β ladder)trans-125.2122.4-176.6-169-87.4000111.3I60 C62 K77 W80 W89I60-Y87 HydrophobicContact CB-CD2 3.75Å; I60-Y87 HydrophobicContact CB-CE2 4.19Å; I60-Y87 HydrophobicContact CG1-CD2 4.4Å; I60-Y87 HydrophobicContact CG2-CD2 3.85Å; I60-Y87 HydrophobicContact CG2-CE2 3.73Å; C62-Y87 HydrophobicContact CB-CE1 4.15Å; C62-Y87 HydrophobicContact CB-CE2 4.08Å; C62-Y87 WeakPolarHBondContact CB-OH 3.39Å; C62-Y87 PolarHBondContact SG-OH 2.8Å; K77-Y87 HydrophobicContact CB-CD1 3.85Å; K77-Y87 HydrophobicContact CB-CD2 4.34Å; K77-Y87 HydrophobicContact CB-CE1 3.79Å; K77-Y87 HydrophobicContact CB-CE2 4.33Å; K77-Y87 HydrophobicContact CB-CG 4.11Å; K77-Y87 HydrophobicContact CD-CD1 3.87Å; K77-Y87 HydrophobicContact CD-CE1 4.28Å; K77-Y87 HydrophobicContact CG-CD1 3.63Å; K77-Y87 HydrophobicContact CG-CD2 4.49Å; K77-Y87 HydrophobicContact CG-CE1 4.08Å; K77-Y87 HydrophobicContact CG-CG 3.85Å; W80-Y87 HydrophobicContact CB-CD2 4.24Å; W80-Y87 AromaticContact CD1-CD2 3.7Å; W80-Y87 AromaticContact CD1-CE2 3.75Å; W80-Y87 HydrophobicContact CG-CD2 4.19Å; Y87-W89 HydrophobicContact CD1-CB 4.29Å; Y87-W89 HydrophobicContact CE1-CB 3.76Å; Y87-W89 HydrophobicContact CE1-CG 4.12Å
88Y96.5Very high87.5Confident56 Ų5664.7 Ų64.722%0.2233%0.334CS..EExtended strand (participates in β ladder)trans-113.6126.9172.8-170.1-89.2000110.1I60 L61 C62 L90 D106 A107 F110I60-Y88 PolarHBondContact O-N 3.04Å; L61-Y88 WeakPolarHBondContact CA-O 3.4Å; L61-Y88 HydrophobicContact CD1-CD1 4.49Å; L61-Y88 HydrophobicContact CG-CD1 4.05Å; C62-Y88 PolarHBondContact N-O 3.46Å; Y88-L90 HydrophobicContact CD1-CB 4.39Å; Y88-L90 HydrophobicContact CE1-CB 3.97Å; Y88-D106 VanDerWaalsContact OH-CB 3.23Å; Y88-D106 WeakPolarHBondContact OH-CB 3.12Å; Y88-A107 HydrophobicContact CD1-CB 4.45Å; Y88-A107 HydrophobicContact CE1-CB 3.87Å; Y88-F110 HydrophobicContact CD2-CB 3.94Å; Y88-F110 HydrophobicContact CD2-CD2 4.03Å; Y88-F110 HydrophobicContact CD2-CG 4Å; Y88-F110 HydrophobicContact CE2-CB 4.47Å; Y88-F110 HydrophobicContact CG-CB 4.01Å; Y88-F110 HydrophobicContact CG-CD1 4.17Å; Y88-F110 HydrophobicContact CG-CD2 4.13Å; Y88-F110 AromaticContact CG-CG 3.82Å; Y88-F110 HydrophobicContact CG-CG 3.82Å
89W93.6Very high87.3Confident113 Ų11359.4 Ų59.443%0.42831%0.312SS..EExtended strand (participates in β ladder)trans-115.6120.3-177.1-165.322.8000111.2T64 P66 Y87T64-W89 PolarHBondContact O-NE1 3.05Å; P66-W89 HydrophobicContact CB-CH2 3.83Å; P66-W89 HydrophobicContact CB-CZ2 3.81Å; P66-W89 HydrophobicContact CG-CH2 3.62Å; P66-W89 HydrophobicContact CG-CZ2 3.6Å; Y87-W89 HydrophobicContact CD1-CB 4.29Å; Y87-W89 HydrophobicContact CE1-CB 3.76Å; Y87-W89 HydrophobicContact CE1-CG 4.12Å
90L92.4Very high87.2Confident8 Ų861 Ų614%0.04232%0.32CS..  trans-127.984.3175.7176.854.4000108.8C62 T63 Y88 I92 T99 N103 A107 I135C62-L90 PolarHBondContact O-N 2.76Å; T63-L90 CarbonylContact C-O 3.58Å; T63-L90 WeakPolarHBondContact CA-O 3.41Å; Y88-L90 HydrophobicContact CD1-CB 4.39Å; Y88-L90 HydrophobicContact CE1-CB 3.97Å; L90-I92 HydrophobicContact CD2-CD1 4.32Å; L90-I92 HydrophobicContact CG-CD1 4.22Å; L90-I92 HydrophobicContact CG-CG1 4.14Å; L90-I92 PolarHBondContact O-N 2.95Å; L90-I92 VanDerWaalsContact O-N 3.15Å; L90-T99 HydrophobicContact CD1-CG2 4.41Å; L90-T99 HydrophobicContact CD2-CG2 4.16Å; L90-N103 HydrophobicContact CD1-CB 3.79Å; L90-N103 HydrophobicContact CD2-CB 4.5Å; L90-A107 HydrophobicContact CD2-CB 3.71Å; L90-I135 HydrophobicContact CD2-CD1 4.07Å
91P87.8Confident87.2Confident68 Ų6862.2 Ų62.244%0.44233%0.328SS..  trans-65118.1-17726.2-33.3000110.6
92I83.1Confident87.1Confident4 Ų460.1 Ų60.12%0.02132%0.324CS..  trans-121.9127.1174.3-55.7174.3000107.4T63 L90 T99 R131 M134T63-I92 HydrophobicContact CG2-CD1 4.42Å; T63-I92 PolarHBondContact O-N 3.36Å; L90-I92 HydrophobicContact CD2-CD1 4.32Å; L90-I92 HydrophobicContact CG-CD1 4.22Å; L90-I92 HydrophobicContact CG-CG1 4.14Å; L90-I92 PolarHBondContact O-N 2.95Å; L90-I92 VanDerWaalsContact O-N 3.15Å; I92-T99 HydrophobicContact CD1-CG2 3.84Å; I92-T99 HydrophobicContact CG1-CG2 4.26Å; I92-R131 HydrophobicContact CB-CG 4.19Å; I92-R131 HydrophobicContact CG2-CG 3.96Å; I92-R131 WeakPolarHBondContact O-CD 3.46Å; I92-R131 PolarHBondContact O-NH1 3.33Å; I92-M134 HydrophobicContact CD1-CE 4.09Å
93R73.9Confident87.1Confident92 Ų9258.8 Ų58.835%0.34731%0.305SS..  trans-61.9141.8177.4-173.4173.5174.1-167-2.5111.3E5 E65 Y97E5-R93 IonicContact OE1-CZ 3.51Å; E5-R93 VanDerWaalsContact OE1-CZ 3.25Å; E5-R93 IonicContact OE1-NE 3.81Å; E5-R93 PolarHBondContact OE1-NE 3.1Å; E5-R93 VanDerWaalsContact OE1-NE 3.12Å; E5-R93 IonicContact OE1-NH2 3.98Å; E5-R93 PolarHBondContact OE1-NH2 3.4Å; E5-R93 IonicContact OE2-NH2 3.42Å; E65-R93 WeakPolarHBondContact OE2-CA 3.21Å; E65-R93 WeakPolarHBondContact OE2-CG 3.4Å; R93-Y97 HydrophobicContact CB-CD2 3.64Å; R93-Y97 HydrophobicContact CB-CE2 4.35Å; R93-Y97 HydrophobicContact CB-CG 3.82Å; R93-Y97 HydrophobicContact CG-CD2 3.45Å; R93-Y97 VanDerWaalsContact CG-CD2 3.45Å; R93-Y97 HydrophobicContact CG-CE2 3.71Å; R93-Y97 HydrophobicContact CG-CG 4.12Å; R93-Y97 VanDerWaalsContact CZ-OH 3.23Å; R93-Y97 PolarHBondContact NH1-OH 2.86Å; R93-Y97 VanDerWaalsContact NH1-OH 3.11Å; R93-Y97 PolarHBondContact NH2-OH 3.05Å; R93-Y97 WeakPolarHBondContact O-CB 2.99Å
94D68.5Low87.2Confident27 Ų2753.3 Ų53.314%0.14428%0.281CS..SBendtrans-70.6167-170.9-151.88.1000114.3F96 Y97 R131D94-F96 PolarHBondContact O-N 3.2Å; D94-F96 VanDerWaalsContact O-N 3.07Å; D94-Y97 WeakPolarHBondContact O-CD2 3.45Å; D94-R131 IonicContact OD1-CZ 2.61Å; D94-R131 IonicContact OD1-NE 3.91Å; D94-R131 PolarHBondContact OD1-NE 2.79Å; D94-R131 IonicContact OD1-NH2 3.65Å; D94-R131 PolarHBondContact OD1-NH2 2.92Å; D94-R131 VanDerWaalsContact OD1-NH2 3.08Å; D94-R131 IonicContact OD2-CZ 3.48Å; D94-R131 IonicContact OD2-NH2 3.12Å; D94-R131 PolarHBondContact OD2-NH2 2.54Å
95F65.6Low87.2Confident94 Ų9451.3 Ų51.341%0.41225%0.253SS..THydrogen-bonded Turntrans71.9-80.7176.7-54.1-77.1000115.6Y165F95-Y165 VanDerWaalsContact O-CD2 3.28Å; F95-Y165 WeakPolarHBondContact O-CD2 3.07Å; F95-Y165 WeakPolarHBondContact O-CE2 3.23Å
96F65.8Low87.2Confident115 Ų11554.2 Ų54.250%0.50427%0.268SS..THydrogen-bonded Turntrans-107.5-20.1-166-60-67.2000113.1D94 Y165 Q167 Q168D94-F96 PolarHBondContact O-N 3.2Å; D94-F96 VanDerWaalsContact O-N 3.07Å; F96-Y165 HydrophobicContact CD1-CD2 4.27Å; F96-Y165 HydrophobicContact CD1-CG 4.24Å; F96-Y165 HydrophobicContact CE1-CD1 4.22Å; F96-Y165 HydrophobicContact CE1-CD2 4.46Å; F96-Y165 HydrophobicContact CE1-CE1 4.24Å; F96-Y165 HydrophobicContact CE1-CE2 4.47Å; F96-Y165 HydrophobicContact CE1-CG 4.33Å; F96-Q167 WeakPolarHBondContact O-CB 3.3Å; F96-Q167 PolarHBondContact O-OE1 2.79Å; F96-Q168 PolarHBondContact O-NE2 3.35Å; F96-Q168 VanDerWaalsContact O-NE2 3.08Å
97Y73.9Confident87.2Confident97 Ų9751.3 Ų51.338%0.3825%0.248SC..  trans-78.9160.4-172.8-57-90.5000112.8R93 D94 Q168R93-Y97 HydrophobicContact CB-CD2 3.64Å; R93-Y97 HydrophobicContact CB-CE2 4.35Å; R93-Y97 HydrophobicContact CB-CG 3.82Å; R93-Y97 HydrophobicContact CG-CD2 3.45Å; R93-Y97 VanDerWaalsContact CG-CD2 3.45Å; R93-Y97 HydrophobicContact CG-CE2 3.71Å; R93-Y97 HydrophobicContact CG-CG 4.12Å; R93-Y97 VanDerWaalsContact CZ-OH 3.23Å; R93-Y97 PolarHBondContact NH1-OH 2.86Å; R93-Y97 VanDerWaalsContact NH1-OH 3.11Å; R93-Y97 PolarHBondContact NH2-OH 3.05Å; R93-Y97 WeakPolarHBondContact O-CB 2.99Å; D94-Y97 WeakPolarHBondContact O-CD2 3.45Å; Y97-Q168 PolarHBondContact O-NE2 3.15Å
98T82.3Confident87.3Confident48 Ų4850 Ų5029%0.29424%0.242SC..  trans-135.6-175.5177-169.20000109.2M134 T171T98-M134 PolarHBondContact OG1-SD 3.34Å; T98-M134 VanDerWaalsContact OG1-SD 3.35Å; T98-T171 WeakPolarHBondContact CB-OG1 3.46Å; T98-T171 VanDerWaalsContact CG2-OG1 3.24Å; T98-T171 WeakPolarHBondContact CG2-OG1 3.22Å; T98-T171 WeakPolarHBondContact OG1-CB 3.27Å; T98-T171 PolarHBondContact OG1-OG1 3.25Å
99T89.1Confident87.3Confident23 Ų2351.8 Ų51.814%0.14125%0.251CS..  trans-126.7168.7172.1-1690000109.6L90 I92 N103 V104 M134L90-T99 HydrophobicContact CD1-CG2 4.41Å; L90-T99 HydrophobicContact CD2-CG2 4.16Å; I92-T99 HydrophobicContact CD1-CG2 3.84Å; I92-T99 HydrophobicContact CG1-CG2 4.26Å; T99-N103 HydrophobicContact CG2-CB 3.96Å; T99-N103 WeakPolarHBondContact OG1-CB 3.3Å; T99-N103 PolarHBondContact OG1-ND2 3.41Å; T99-N103 VanDerWaalsContact OG1-ND2 3.13Å; T99-V104 HydrophobicContact CG2-CG2 3.62Å; T99-M134 HydrophobicContact CG2-CE 4.42Å
100D91.1Very high87.5Confident73 Ų7347.6 Ų47.639%0.3924%0.236SC..  trans-68.3157.5176.460.6-87000112.2S102 N103 V104D100-S102 PolarHBondContact O-N 3.02Å; D100-S102 WeakPolarHBondContact OD2-CA 3.44Å; D100-S102 WeakPolarHBondContact OD2-CB 3.47Å; D100-S102 PolarHBondContact OD2-N 2.89Å; D100-S102 PolarHBondContact OD2-OG 3.02Å; D100-N103 PolarHBondContact O-N 3.25Å; D100-N103 PolarHBondContact OD1-ND2 3.36Å; D100-N103 PolarHBondContact OD2-N 3.36Å; D100-V104 PolarHBondContact O-N 3.31Å; D100-V104 VanDerWaalsContact O-N 3.11Å
101T93.2Very high87.8Confident27 Ų2747.2 Ų47.217%0.16623%0.234CC..Hα-helixtrans-63.8-25.7-176.857.30000113.5H105 D174 Y179T101-H105 WeakPolarHBondContact O-CB 3.5Å; T101-H105 PolarHBondContact O-N 3.18Å; T101-D174 HydrophobicContact CG2-CB 4Å; T101-Y179 WeakPolarHBondContact O-CE2 3.41Å
102S94Very high88.3Confident52 Ų5248.1 Ų48.136%0.36423%0.229SC..Hα-helixtrans-68.6-46.517516.30000111.6D100 V104 H105 D106D100-S102 PolarHBondContact O-N 3.02Å; D100-S102 WeakPolarHBondContact OD2-CA 3.44Å; D100-S102 WeakPolarHBondContact OD2-CB 3.47Å; D100-S102 PolarHBondContact OD2-N 2.89Å; D100-S102 PolarHBondContact OD2-OG 3.02Å; S102-V104 VanDerWaalsContact C-N 3.32Å; S102-V104 PolarHBondContact O-N 3.39Å; S102-H105 CarbonylContact O-C 3.6Å; S102-H105 WeakPolarHBondContact O-CA 3.39Å; S102-H105 WeakPolarHBondContact O-CB 3.24Å; S102-H105 PolarHBondContact O-N 3.47Å; S102-D106 PolarHBondContact O-N 3.23Å
103N95.6Very high89Confident58 Ų5854 Ų5431%0.3126%0.261SS..Hα-helixtrans-60.6-41.4174.3-84-23.7000111.9L90 T99 D100 H105 D106 A107L90-N103 HydrophobicContact CD1-CB 3.79Å; L90-N103 HydrophobicContact CD2-CB 4.5Å; T99-N103 HydrophobicContact CG2-CB 3.96Å; T99-N103 WeakPolarHBondContact OG1-CB 3.3Å; T99-N103 PolarHBondContact OG1-ND2 3.41Å; T99-N103 VanDerWaalsContact OG1-ND2 3.13Å; D100-N103 PolarHBondContact O-N 3.25Å; D100-N103 PolarHBondContact OD1-ND2 3.36Å; D100-N103 PolarHBondContact OD2-N 3.36Å; N103-H105 VanDerWaalsContact C-N 3.28Å; N103-H105 PolarHBondContact O-N 3.34Å; N103-D106 PolarHBondContact O-N 3.4Å; N103-A107 WeakPolarHBondContact O-CB 3.46Å; N103-A107 PolarHBondContact O-N 3.4Å
104V96.4Very high90.1Very high0 Ų050.9 Ų50.90%025%0.249CC..Hα-helixtrans-59.7-42.3171.51790000110.7T99 D100 S102 A107 V108 M134 I135 C138 T171 Y175T99-V104 HydrophobicContact CG2-CG2 3.62Å; D100-V104 PolarHBondContact O-N 3.31Å; D100-V104 VanDerWaalsContact O-N 3.11Å; S102-V104 VanDerWaalsContact C-N 3.32Å; S102-V104 PolarHBondContact O-N 3.39Å; V104-A107 WeakPolarHBondContact O-CB 3.43Å; V104-A107 PolarHBondContact O-N 2.98Å; V104-V108 HydrophobicContact CG1-CG2 4.34Å; V104-V108 WeakPolarHBondContact O-CG2 3.35Å; V104-V108 PolarHBondContact O-N 2.91Å; V104-M134 HydrophobicContact CG2-CE 4.14Å; V104-I135 HydrophobicContact CB-CD1 4.25Å; V104-I135 HydrophobicContact CG1-CD1 3.94Å; V104-I135 HydrophobicContact CG2-CD1 3.94Å; V104-C138 HydrophobicContact CG1-CB 3.75Å; V104-T171 HydrophobicContact CG2-CG2 3.93Å; V104-Y175 HydrophobicContact CB-CD2 3.91Å; V104-Y175 HydrophobicContact CB-CE2 4.09Å; V104-Y175 HydrophobicContact CG1-CD2 3.54Å; V104-Y175 HydrophobicContact CG1-CE2 3.65Å; V104-Y175 HydrophobicContact CG1-CG 4.24Å
105H96.8Very high91.4Very high29 Ų2951.6 Ų51.613%0.13425%0.252CS..Hα-helixtrans-66.3-39.7-179.1-171.854.1000113T101 S102 N103 V108 K109 E142 Y175 Y179T101-H105 WeakPolarHBondContact O-CB 3.5Å; T101-H105 PolarHBondContact O-N 3.18Å; S102-H105 CarbonylContact O-C 3.6Å; S102-H105 WeakPolarHBondContact O-CA 3.39Å; S102-H105 WeakPolarHBondContact O-CB 3.24Å; S102-H105 PolarHBondContact O-N 3.47Å; N103-H105 VanDerWaalsContact C-N 3.28Å; N103-H105 PolarHBondContact O-N 3.34Å; H105-V108 PolarHBondContact O-N 3.46Å; H105-K109 VanDerWaalsContact CD2-CE 3.48Å; H105-K109 WeakPolarHBondContact CD2-CE 3.45Å; H105-K109 WeakPolarHBondContact NE2-CE 3.09Å; H105-K109 WeakPolarHBondContact O-CG 3.44Å; H105-K109 PolarHBondContact O-N 3.19Å; H105-E142 IonicContact CE1-OE2 2.69Å; H105-E142 IonicContact ND1-OE2 3.6Å; H105-Y175 HydrophobicContact CB-CE2 3.8Å; H105-Y175 PolarHBondContact ND1-OH 2.88Å; H105-Y175 VanDerWaalsContact ND1-OH 3.14Å; H105-Y179 HydrophobicContact CB-CD1 4.3Å; H105-Y179 HydrophobicContact CB-CD2 4.19Å; H105-Y179 HydrophobicContact CB-CE1 3.94Å; H105-Y179 HydrophobicContact CB-CE2 3.81Å; H105-Y179 HydrophobicContact CB-CG 4.41Å; H105-Y179 AromaticContact CD2-CD1 3.69Å; H105-Y179 AromaticContact CD2-CE1 3.29Å; H105-Y179 WeakPolarHBondContact CD2-CE1 3.38Å; H105-Y179 AromaticContact CD2-CZ 3.87Å; H105-Y179 AromaticContact CE1-CD1 3.52Å; H105-Y179 AromaticContact CE1-CE1 3.96Å; H105-Y179 AromaticContact CG-CD1 3.59Å; H105-Y179 AromaticContact CG-CE1 3.44Å; H105-Y179 VanDerWaalsContact CG-CE1 3.44Å; H105-Y179 AromaticContact CG-CZ 3.74Å; H105-Y179 AromaticContact ND1-CD1 3.49Å; H105-Y179 WeakPolarHBondContact ND1-CD1 3.48Å; H105-Y179 AromaticContact ND1-CE1 3.87Å; H105-Y179 AromaticContact ND1-CG 3.76Å; H105-Y179 AromaticContact NE2-CD1 3.63Å; H105-Y179 AromaticContact NE2-CE1 3.63Å
106D97.1Very high92.7Very high65 Ų6555.1 Ų55.135%0.34828%0.275SS..Hα-helixtrans-68.5-36.5176.1-68-24.7000111.8Y88 S102 N103 K109 F110Y88-D106 VanDerWaalsContact OH-CB 3.23Å; Y88-D106 WeakPolarHBondContact OH-CB 3.12Å; S102-D106 PolarHBondContact O-N 3.23Å; N103-D106 PolarHBondContact O-N 3.4Å; D106-K109 PolarHBondContact O-N 3.24Å; D106-K109 IonicContact OD1-NZ 3.62Å; D106-K109 PolarHBondContact OD1-NZ 2.84Å; D106-F110 PolarHBondContact O-N 3.02Å
107A97.8Very high94.2Very high0 Ų052.4 Ų52.40%027%0.27CS..Hα-helixtrans-60.9-43.5168.400000112.5L61 Y88 L90 N103 V104 F110 I111 I135L61-A107 HydrophobicContact CD1-CB 3.82Å; L61-A107 WeakPolarHBondContact CD1-O 3.24Å; Y88-A107 HydrophobicContact CD1-CB 4.45Å; Y88-A107 HydrophobicContact CE1-CB 3.87Å; L90-A107 HydrophobicContact CD2-CB 3.71Å; N103-A107 WeakPolarHBondContact O-CB 3.46Å; N103-A107 PolarHBondContact O-N 3.4Å; V104-A107 WeakPolarHBondContact O-CB 3.43Å; V104-A107 PolarHBondContact O-N 2.98Å; A107-F110 WeakPolarHBondContact O-CB 3.12Å; A107-F110 PolarHBondContact O-N 2.93Å; A107-I111 WeakPolarHBondContact O-CG1 3.41Å; A107-I111 PolarHBondContact O-N 3.12Å; A107-I111 VanDerWaalsContact O-N 3.14Å; A107-I135 HydrophobicContact CB-CD1 4.37Å; A107-I135 HydrophobicContact CB-CG2 3.99Å
108V98.1Very high95.2Very high0 Ų051 Ų510%029%0.285CS..Hα-helixtrans-65.5-43.5176.1170.50000110.7V104 H105 F110 I111 R112 C138 Y139 E142 Y175V104-V108 HydrophobicContact CG1-CG2 4.34Å; V104-V108 WeakPolarHBondContact O-CG2 3.35Å; V104-V108 PolarHBondContact O-N 2.91Å; H105-V108 PolarHBondContact O-N 3.46Å; V108-F110 VanDerWaalsContact C-N 3.3Å; V108-F110 PolarHBondContact O-N 2.83Å; V108-I111 WeakPolarHBondContact O-CB 3.18Å; V108-I111 PolarHBondContact O-N 2.99Å; V108-I111 VanDerWaalsContact O-N 3.08Å; V108-R112 HydrophobicContact CG1-CG 4.11Å; V108-R112 WeakPolarHBondContact O-CG 3.38Å; V108-R112 PolarHBondContact O-N 2.83Å; V108-C138 HydrophobicContact CG2-CB 4.08Å; V108-Y139 HydrophobicContact CG1-CD2 4.47Å; V108-E142 HydrophobicContact CG1-CB 4.49Å; V108-E142 WeakPolarHBondContact CG1-OE2 3.47Å; V108-Y175 WeakPolarHBondContact CB-OH 3.49Å; V108-Y175 WeakPolarHBondContact CG1-OH 3.46Å
109K97.6Very high95.9Very high95 Ų9553.4 Ų53.441%0.41329%0.291SS..Hα-helixtrans-56.3-44173.1-77.2176.7-177.11580112.1H105 D106 I111 R112 N113H105-K109 VanDerWaalsContact CD2-CE 3.48Å; H105-K109 WeakPolarHBondContact CD2-CE 3.45Å; H105-K109 WeakPolarHBondContact NE2-CE 3.09Å; H105-K109 WeakPolarHBondContact O-CG 3.44Å; H105-K109 PolarHBondContact O-N 3.19Å; D106-K109 PolarHBondContact O-N 3.24Å; D106-K109 IonicContact OD1-NZ 3.62Å; D106-K109 PolarHBondContact OD1-NZ 2.84Å; K109-I111 VanDerWaalsContact C-N 3.3Å; K109-I111 PolarHBondContact O-N 3.47Å; K109-R112 PolarHBondContact O-N 3.39Å; K109-R112 VanDerWaalsContact O-N 3.16Å; K109-N113 VanDerWaalsContact O-CG 3.22Å; K109-N113 PolarHBondContact O-N 3.08Å; K109-N113 PolarHBondContact O-OD1 3.34Å
110F98.3Very high96.3Very high25 Ų2552.4 Ų52.411%0.1129%0.285CS..Hα-helixtrans-56.5-45.4175.3174.7-98.2000111.5I60 L61 Y88 D106 A107 V108 F114 V121I60-F110 WeakPolarHBondContact O-CE1 3.25Å; L61-F110 HydrophobicContact CB-CD1 4.26Å; L61-F110 HydrophobicContact CB-CE1 4.24Å; L61-F110 HydrophobicContact CD1-CD1 4.22Å; L61-F110 HydrophobicContact CG-CD1 4.4Å; Y88-F110 HydrophobicContact CD2-CB 3.94Å; Y88-F110 HydrophobicContact CD2-CD2 4.03Å; Y88-F110 HydrophobicContact CD2-CG 4Å; Y88-F110 HydrophobicContact CE2-CB 4.47Å; Y88-F110 HydrophobicContact CG-CB 4.01Å; Y88-F110 HydrophobicContact CG-CD1 4.17Å; Y88-F110 HydrophobicContact CG-CD2 4.13Å; Y88-F110 AromaticContact CG-CG 3.82Å; Y88-F110 HydrophobicContact CG-CG 3.82Å; D106-F110 PolarHBondContact O-N 3.02Å; A107-F110 WeakPolarHBondContact O-CB 3.12Å; A107-F110 PolarHBondContact O-N 2.93Å; V108-F110 VanDerWaalsContact C-N 3.3Å; V108-F110 PolarHBondContact O-N 2.83Å; F110-F114 HydrophobicContact CD2-CE2 4.46Å; F110-F114 HydrophobicContact CE1-CE2 4.28Å; F110-F114 AromaticContact CE2-CE2 3.95Å; F110-F114 HydrophobicContact CE2-CE2 3.95Å; F110-F114 AromaticContact CZ-CE2 3.86Å; F110-F114 HydrophobicContact CZ-CE2 3.86Å; F110-F114 HydrophobicContact CZ-CZ 4.43Å; F110-F114 VanDerWaalsContact O-CD2 3.29Å; F110-F114 WeakPolarHBondContact O-CD2 3.48Å; F110-V121 HydrophobicContact CD1-CG1 4.33Å; F110-V121 HydrophobicContact CE1-CG1 3.86Å
111I98.5Very high96.7Very high0 Ų049 Ų490%027%0.267CS..Hα-helixtrans-61.4-48174.9-63.4167.9000110.8T36 V37 L61 A107 V108 K109 N113 F114 V121 V123 I135 Y139T36-I111 HydrophobicContact CG2-CG2 4.21Å; V37-I111 HydrophobicContact CG2-CG2 3.37Å; L61-I111 HydrophobicContact CD1-CD1 3.84Å; L61-I111 HydrophobicContact CD1-CG1 3.79Å; A107-I111 WeakPolarHBondContact O-CG1 3.41Å; A107-I111 PolarHBondContact O-N 3.12Å; A107-I111 VanDerWaalsContact O-N 3.14Å; V108-I111 WeakPolarHBondContact O-CB 3.18Å; V108-I111 PolarHBondContact O-N 2.99Å; V108-I111 VanDerWaalsContact O-N 3.08Å; K109-I111 VanDerWaalsContact C-N 3.3Å; K109-I111 PolarHBondContact O-N 3.47Å; I111-N113 PolarHBondContact O-N 3.45Å; I111-F114 PolarHBondContact O-N 3.18Å; I111-V121 HydrophobicContact CG1-CG1 4.21Å; I111-V123 HydrophobicContact CD1-CG2 3.9Å; I111-V123 HydrophobicContact CG1-CG2 4.26Å; I111-I135 HydrophobicContact CD1-CG2 3.93Å; I111-Y139 HydrophobicContact CB-CD2 4.15Å; I111-Y139 HydrophobicContact CB-CE2 4.49Å; I111-Y139 HydrophobicContact CD1-CG 4.38Å; I111-Y139 HydrophobicContact CG2-CD1 4.36Å; I111-Y139 HydrophobicContact CG2-CD2 3.54Å; I111-Y139 HydrophobicContact CG2-CE1 4.34Å; I111-Y139 HydrophobicContact CG2-CE2 3.52Å; I111-Y139 HydrophobicContact CG2-CG 3.96Å
112R97.5Very high96.9Very high87 Ų8747.7 Ų47.733%0.32826%0.259SS..Hα-helixtrans-63.8-27.6-175.4-68.9-165.271.8-168.2-3113.5V108 K109 F114 E115 Y139 E142V108-R112 HydrophobicContact CG1-CG 4.11Å; V108-R112 WeakPolarHBondContact O-CG 3.38Å; V108-R112 PolarHBondContact O-N 2.83Å; K109-R112 PolarHBondContact O-N 3.39Å; K109-R112 VanDerWaalsContact O-N 3.16Å; R112-F114 PolarHBondContact O-N 2.94Å; R112-F114 VanDerWaalsContact O-N 3.09Å; R112-E115 IonicContact CZ-OE2 2.84Å; R112-E115 IonicContact NE-OE1 3.11Å; R112-E115 IonicContact NE-OE2 3.61Å; R112-E115 PolarHBondContact NE-OE2 3.37Å; R112-E115 IonicContact NH2-OE2 2.83Å; R112-E115 PolarHBondContact NH2-OE2 2.86Å; R112-E115 VanDerWaalsContact O-CB 3.29Å; R112-E115 WeakPolarHBondContact O-CB 3.38Å; R112-E115 WeakPolarHBondContact O-CG 3.32Å; R112-E115 PolarHBondContact O-N 3.14Å; R112-Y139 HydrophobicContact CG-CD2 4.03Å; R112-Y139 HydrophobicContact CG-CE2 4.06Å; R112-E142 IonicContact CZ-OE1 3.21Å; R112-E142 IonicContact NH1-OE1 3.52Å; R112-E142 PolarHBondContact NH1-OE1 3.08Å
113N97.3Very high97.1Very high128 Ų12845.2 Ų45.268%0.68424%0.242SC*.THydrogen-bonded Turntrans-61.4-16.2173.5-70.2-17.2000113.7K109 I111K109-N113 VanDerWaalsContact O-CG 3.22Å; K109-N113 PolarHBondContact O-N 3.08Å; K109-N113 PolarHBondContact O-OD1 3.34Å; I111-N113 PolarHBondContact O-N 3.45Å
114F97.8Very high97.1Very high26 Ų2642.5 Ų42.511%0.11423%0.227CC..THydrogen-bonded Turntrans-96.3-6.4175.1-69.6-92000113.4T36 G58 F110 I111 R112 N116 S117 K119 V121T36-F114 HydrophobicContact CG2-CB 4.05Å; G58-F114 WeakPolarHBondContact O-CE1 3.47Å; G58-F114 WeakPolarHBondContact O-CZ 3.48Å; F110-F114 HydrophobicContact CD2-CE2 4.46Å; F110-F114 HydrophobicContact CE1-CE2 4.28Å; F110-F114 AromaticContact CE2-CE2 3.95Å; F110-F114 HydrophobicContact CE2-CE2 3.95Å; F110-F114 AromaticContact CZ-CE2 3.86Å; F110-F114 HydrophobicContact CZ-CE2 3.86Å; F110-F114 HydrophobicContact CZ-CZ 4.43Å; F110-F114 VanDerWaalsContact O-CD2 3.29Å; F110-F114 WeakPolarHBondContact O-CD2 3.48Å; I111-F114 PolarHBondContact O-N 3.18Å; R112-F114 PolarHBondContact O-N 2.94Å; R112-F114 VanDerWaalsContact O-N 3.09Å; F114-N116 PolarHBondContact O-N 2.96Å; F114-S117 WeakPolarHBondContact CA-OG 3.45Å; F114-S117 WeakPolarHBondContact O-CB 3.44Å; F114-S117 PolarHBondContact O-N 3.16Å; F114-S117 VanDerWaalsContact O-N 3.1Å; F114-S117 PolarHBondContact O-OG 3.37Å; F114-K119 HydrophobicContact CD1-CB 3.87Å; F114-K119 HydrophobicContact CE1-CB 4.43Å; F114-V121 HydrophobicContact CB-CG2 3.63Å; F114-V121 HydrophobicContact CD1-CG2 4.2Å; F114-V121 HydrophobicContact CD2-CG2 3.29Å; F114-V121 HydrophobicContact CE2-CG2 3.99Å; F114-V121 HydrophobicContact CG-CG2 3.42Å; F114-V121 VanDerWaalsContact CG-CG2 3.42Å
115E95.8Very high96.9Very high42 Ų4242.6 Ų42.620%0.19623%0.228CC..THydrogen-bonded Turntrans-57.3131173.5-68.8179.5149.700109.5T36 R112 S117 Y139 K143T36-E115 HydrophobicContact CG2-CG 4.4Å; R112-E115 IonicContact CZ-OE2 2.84Å; R112-E115 IonicContact NE-OE1 3.11Å; R112-E115 IonicContact NE-OE2 3.61Å; R112-E115 PolarHBondContact NE-OE2 3.37Å; R112-E115 IonicContact NH2-OE2 2.83Å; R112-E115 PolarHBondContact NH2-OE2 2.86Å; R112-E115 VanDerWaalsContact O-CB 3.29Å; R112-E115 WeakPolarHBondContact O-CB 3.38Å; R112-E115 WeakPolarHBondContact O-CG 3.32Å; R112-E115 PolarHBondContact O-N 3.14Å; E115-S117 PolarHBondContact O-N 3.4Å; E115-S117 VanDerWaalsContact O-N 3.09Å; E115-Y139 WeakPolarHBondContact OE1-CE2 3.45Å; E115-Y139 PolarHBondContact OE1-OH 2.73Å; E115-K143 WeakPolarHBondContact OE1-CD 3.35Å
116N93.7Very high96.5Very high167 Ų16741.5 Ų41.589%0.89322%0.223SC*.THydrogen-bonded Turntrans61.97.1-176.8-49.6-53.2000116.5F114 G118F114-N116 PolarHBondContact O-N 2.96Å; N116-G118 VanDerWaalsContact C-N 3.26Å; N116-G118 PolarHBondContact O-N 3.34Å
117S95.4Very high96.1Very high59 Ų5939.2 Ų39.241%0.41321%0.213SC..THydrogen-bonded Turntrans-78.3-8.5177.270.30000114F114 E115 K119F114-S117 WeakPolarHBondContact CA-OG 3.45Å; F114-S117 WeakPolarHBondContact O-CB 3.44Å; F114-S117 PolarHBondContact O-N 3.16Å; F114-S117 VanDerWaalsContact O-N 3.1Å; F114-S117 PolarHBondContact O-OG 3.37Å; E115-S117 PolarHBondContact O-N 3.4Å; E115-S117 VanDerWaalsContact O-N 3.09Å; S117-K119 PolarHBondContact O-N 2.85Å; S117-K119 WeakPolarHBondContact OG-CB 3.29Å; S117-K119 PolarHBondContact OG-N 2.8Å; S117-K119 VanDerWaalsContact OG-N 3.13Å
118G95.2Very high95.7Very high66 Ų6639.2 Ų39.268%0.6821%0.213SC*.THydrogen-bonded Turntrans71.43.9-168.400000114N116N116-G118 VanDerWaalsContact C-N 3.26Å; N116-G118 PolarHBondContact O-N 3.34Å
119K97.6Very high95.5Very high100 Ų10042.9 Ų42.944%0.43523%0.226SC..  trans-111.1155.8176.2-60.7-63.9-175.4178.40110.9H56 F114 S117H56-K119 CarbonylContact O-C 3.59Å; H56-K119 VanDerWaalsContact O-CA 3.29Å; H56-K119 WeakPolarHBondContact O-CA 3.4Å; H56-K119 WeakPolarHBondContact O-CD 3.34Å; F114-K119 HydrophobicContact CD1-CB 3.87Å; F114-K119 HydrophobicContact CE1-CB 4.43Å; S117-K119 PolarHBondContact O-N 2.85Å; S117-K119 WeakPolarHBondContact OG-CB 3.29Å; S117-K119 PolarHBondContact OG-N 2.8Å; S117-K119 VanDerWaalsContact OG-N 3.13Å
120S98.1Very high95.2Very high2 Ų239 Ų391%0.01421%0.211CC..EExtended strand (participates in β ladder)trans-109.8163175.971.20000112.1T36 E55 H56 V57 G58 G59T36-S120 CarbonylContact O-C 3.46Å; T36-S120 WeakPolarHBondContact O-CA 3.29Å; T36-S120 VanDerWaalsContact O-CB 3.29Å; T36-S120 WeakPolarHBondContact O-CB 3.1Å; E55-S120 WeakPolarHBondContact O-CB 3.35Å; E55-S120 PolarHBondContact O-OG 2.83Å; H56-S120 PolarHBondContact O-N 2.97Å; H56-S120 PolarHBondContact O-OG 2.93Å; V57-S120 WeakPolarHBondContact CA-O 3.22Å; V57-S120 WeakPolarHBondContact CA-OG 3.24Å; V57-S120 WeakPolarHBondContact CG2-OG 3.42Å; V57-S120 PolarHBondContact N-OG 3.33Å; G58-S120 PolarHBondContact N-O 3.28Å; G59-S120 PolarHBondContact N-O 2.92Å
121V98.6Very high95Very high0 Ų037.8 Ų37.80%021%0.205CC..EExtended strand (participates in β ladder)trans-116.2123.8175.6-176.90000109.7T36 I38 G59 L61 F110 I111 F114 V123T36-V121 PolarHBondContact O-N 3.36Å; I38-V121 PolarHBondContact N-O 2.8Å; G59-V121 CarbonylContact O-C 3.54Å; G59-V121 VanDerWaalsContact O-CA 3.24Å; G59-V121 WeakPolarHBondContact O-CA 3.4Å; L61-V121 HydrophobicContact CB-CG1 4.25Å; F110-V121 HydrophobicContact CD1-CG1 4.33Å; F110-V121 HydrophobicContact CE1-CG1 3.86Å; I111-V121 HydrophobicContact CG1-CG1 4.21Å; F114-V121 HydrophobicContact CB-CG2 3.63Å; F114-V121 HydrophobicContact CD1-CG2 4.2Å; F114-V121 HydrophobicContact CD2-CG2 3.29Å; F114-V121 HydrophobicContact CE2-CG2 3.99Å; F114-V121 HydrophobicContact CG-CG2 3.42Å; F114-V121 VanDerWaalsContact CG-CG2 3.42Å; V121-V123 HydrophobicContact CG1-CG2 4.07Å
122Y98.4Very high94.9Very high0 Ų037.8 Ų37.80%021%0.205CC..EExtended strand (participates in β ladder)trans-89.7106.7173.7-168.9-87.1000109.9Y30 I38 A41 P43 L51 G59 I60 L61 H124Y30-Y122 VanDerWaalsContact CB-CE2 3.5Å; Y30-Y122 HydrophobicContact CD1-CE2 4.03Å; Y30-Y122 HydrophobicContact CD2-CE2 4.39Å; Y30-Y122 AromaticContact CG-CE2 3.74Å; Y30-Y122 HydrophobicContact CG-CE2 3.74Å; I38-Y122 HydrophobicContact CB-CD2 4.02Å; I38-Y122 HydrophobicContact CG2-CD2 3.59Å; I38-Y122 HydrophobicContact CG2-CE2 3.85Å; A41-Y122 WeakPolarHBondContact O-CE1 3.33Å; A41-Y122 PolarHBondContact O-OH 2.97Å; P43-Y122 HydrophobicContact CB-CE1 4.11Å; P43-Y122 HydrophobicContact CG-CE1 4.15Å; L51-Y122 HydrophobicContact CD1-CD2 4.14Å; L51-Y122 HydrophobicContact CD1-CE2 4.1Å; L51-Y122 HydrophobicContact CD2-CD2 3.69Å; L51-Y122 HydrophobicContact CD2-CE2 3.73Å; G59-Y122 PolarHBondContact O-N 3.02Å; I60-Y122 HydrophobicContact CD1-CG 4.46Å; L61-Y122 PolarHBondContact N-O 3Å; Y122-H124 HydrophobicContact CD1-CB 3.94Å; Y122-H124 AromaticContact CD1-CD2 3.93Å; Y122-H124 HydrophobicContact CE1-CB 3.55Å
123V98.2Very high94.9Very high0 Ų033.7 Ų33.70%019%0.19CC..EExtended strand (participates in β ladder)trans-97.9118.6-179.6-168.70000108.9V37 I38 L39 G40 L61 I111 V121 V136V37-V123 HydrophobicContact CG1-CG2 3.97Å; I38-V123 PolarHBondContact O-N 3.25Å; L39-V123 WeakPolarHBondContact CA-O 3.46Å; G40-V123 PolarHBondContact N-O 3.39Å; L61-V123 HydrophobicContact CB-CB 4.42Å; L61-V123 HydrophobicContact CB-CG1 4.16Å; L61-V123 HydrophobicContact CB-CG2 4.18Å; L61-V123 HydrophobicContact CD1-CG1 4.43Å; L61-V123 HydrophobicContact CD2-CG1 4.13Å; L61-V123 HydrophobicContact CG-CG1 4.46Å; I111-V123 HydrophobicContact CD1-CG2 3.9Å; I111-V123 HydrophobicContact CG1-CG2 4.26Å; V121-V123 HydrophobicContact CG1-CG2 4.07Å; V123-V136 HydrophobicContact CB-CG2 3.85Å; V123-V136 HydrophobicContact CG1-CG2 3.87Å; V123-V136 HydrophobicContact CG2-CG2 4.04Å
124H95.6Very high94.9Very high1 Ų127.6 Ų27.61%0.00516%0.157CC..EExtended strand (participates in β ladder)trans-138.2155.1-17678.392000114.2G40 L61 T63 Y122 S132G40-H124 VanDerWaalsContact O-CA 3.3Å; G40-H124 WeakPolarHBondContact O-CA 3.47Å; G40-H124 VanDerWaalsContact O-CB 3.27Å; G40-H124 WeakPolarHBondContact O-CB 3.38Å; L61-H124 PolarHBondContact O-N 2.86Å; T63-H124 PolarHBondContact N-O 3.22Å; T63-H124 PolarHBondContact OG1-O 3.36Å; Y122-H124 HydrophobicContact CD1-CB 3.94Å; Y122-H124 AromaticContact CD1-CD2 3.93Å; Y122-H124 HydrophobicContact CE1-CB 3.55Å; H124-S132 VanDerWaalsContact C-CB 3.45Å
125C91.6Very high94.9Very high3 Ų326.4 Ų26.42%0.0215%0.152CC..  trans-119.2-141.8159.166.70000107.1L42 T63 T64 G128 R131 S132L42-C125 PolarHBondContact N-O 3.46Å; T63-C125 WeakPolarHBondContact OG1-CA 3.45Å; T63-C125 WeakPolarHBondContact OG1-CB 3.4Å; T64-C125 VanDerWaalsContact CG2-CA 3.47Å; T64-C125 HydrophobicContact CG2-CB 4.28Å; C125-G128 VanDerWaalsContact SG-CA 3.6Å; C125-G128 PolarHBondContact SG-N 3.39Å; C125-R131 HydrophobicContact CB-CB 3.83Å; C125-S132 PolarHBondContact N-OG 3.23Å
126K87.8Confident95Very high6 Ų624.4 Ų24.43%0.02614%0.143CC..SBendtrans-71.6-57.5171-179.7-174.9-176.2169.90113F9 S12 L13 A41 L42F9-K126 HydrophobicContact CD2-CD 3.76Å; F9-K126 HydrophobicContact CE2-CD 3.47Å; F9-K126 VanDerWaalsContact CE2-CD 3.47Å; F9-K126 VanDerWaalsContact CE2-CE 3.43Å; F9-K126 HydrophobicContact CE2-CG 3.89Å; F9-K126 HydrophobicContact CZ-CD 4.37Å; F9-K126 HydrophobicContact CZ-CG 4.47Å; F9-K126 WeakPolarHBondContact O-CE 3.45Å; F9-K126 PolarHBondContact O-NZ 3.38Å; S12-K126 PolarHBondContact OG-NZ 3.19Å; L13-K126 HydrophobicContact CD1-CG 4.31Å; A41-K126 WeakPolarHBondContact CA-O 3.15Å; A41-K126 VanDerWaalsContact CB-O 3.3Å; A41-K126 WeakPolarHBondContact CB-O 3.39Å; L42-K126 PolarHBondContact N-O 3.02Å
127A88.8Confident95.3Very high16 Ų1616.4 Ų16.413%0.13210%0.1CC..SBendtrans-106.8-8.2-176.500000113.6R129 R159A127-R129 HydrophobicContact CB-CG 3.99Å; A127-R159 PolarHBondContact O-NH2 2.72Å
128G90.6Very high95.4Very high0 Ų013.6 Ų13.60%08%0.081CC..SBendtrans68.237.4-17600000114.1G40 C125 S132 R159G40-G128 WeakPolarHBondContact O-CA 3.41Å; G40-G128 PolarHBondContact O-N 2.98Å; C125-G128 VanDerWaalsContact SG-CA 3.6Å; C125-G128 PolarHBondContact SG-N 3.39Å; G128-S132 WeakPolarHBondContact CA-OG 3.19Å; G128-R159 WeakPolarHBondContact O-CD 3.42Å; G128-R159 PolarHBondContact O-NE 2.93Å
129R92.4Very high95.5Very high77 Ų7710.5 Ų10.529%0.2915%0.048SC..SBendtrans-118.7-29.3-171.1-63.9177.770.6-164.8-1.8115.2A127 T133 R161 I162 V163A127-R129 HydrophobicContact CB-CG 3.99Å; R129-T133 PolarHBondContact O-OG1 2.71Å; R129-R161 PolarHBondContact NE-O 3.07Å; R129-R161 PolarHBondContact NH2-O 3.11Å; R129-I162 WeakPolarHBondContact O-CA 3.35Å; R129-V163 PolarHBondContact O-N 3.02Å
130T92.9Very high95.6Very high13 Ų135.8 Ų5.88%0.083%0.028CC..SBendtrans-130.7-76.7-169-53.90000110.8S132 T133 M134 V163 Y165 Q168T130-S132 PolarHBondContact O-N 3.47Å; T130-T133 WeakPolarHBondContact O-CB 3.46Å; T130-T133 PolarHBondContact O-N 3.49Å; T130-M134 PolarHBondContact O-N 3.41Å; T130-V163 WeakPolarHBondContact CA-O 3.36Å; T130-V163 VanDerWaalsContact CB-O 3.29Å; T130-V163 WeakPolarHBondContact CB-O 3.48Å; T130-V163 WeakPolarHBondContact CG2-O 3.43Å; T130-V163 PolarHBondContact OG1-O 2.95Å; T130-Y165 HydrophobicContact CG2-CD2 4.23Å; T130-Y165 HydrophobicContact CG2-CE2 4.39Å; T130-Q168 HydrophobicContact CG2-CG 4Å
131R94Very high95.6Very high1 Ų15.7 Ų5.70%0.0043%0.027CC..Hα-helixtrans-55.1-56.4-176-66.9173.3-82.8166.12.1113.3T63 E68 I92 D94 C125 T133 M134 I135T63-R131 PolarHBondContact O-NH1 2.97Å; E68-R131 IonicContact OE1-CZ 2.97Å; E68-R131 IonicContact OE1-NH1 3.86Å; E68-R131 IonicContact OE1-NH2 2.99Å; E68-R131 PolarHBondContact OE1-NH2 2.92Å; E68-R131 IonicContact OE2-CZ 2.83Å; E68-R131 IonicContact OE2-NH1 2.79Å; E68-R131 PolarHBondContact OE2-NH1 3.46Å; E68-R131 IonicContact OE2-NH2 3.34Å; E68-R131 PolarHBondContact OE2-NH2 3.36Å; I92-R131 HydrophobicContact CB-CG 4.19Å; I92-R131 HydrophobicContact CG2-CG 3.96Å; I92-R131 WeakPolarHBondContact O-CD 3.46Å; I92-R131 PolarHBondContact O-NH1 3.33Å; D94-R131 IonicContact OD1-CZ 2.61Å; D94-R131 IonicContact OD1-NE 3.91Å; D94-R131 PolarHBondContact OD1-NE 2.79Å; D94-R131 IonicContact OD1-NH2 3.65Å; D94-R131 PolarHBondContact OD1-NH2 2.92Å; D94-R131 VanDerWaalsContact OD1-NH2 3.08Å; D94-R131 IonicContact OD2-CZ 3.48Å; D94-R131 IonicContact OD2-NH2 3.12Å; D94-R131 PolarHBondContact OD2-NH2 2.54Å; C125-R131 HydrophobicContact CB-CB 3.83Å; R131-T133 VanDerWaalsContact C-N 3.34Å; R131-T133 PolarHBondContact O-N 3.01Å; R131-M134 WeakPolarHBondContact O-CB 3.45Å; R131-M134 PolarHBondContact O-N 2.83Å; R131-I135 PolarHBondContact O-N 2.97Å
132S96Very high95.5Very high0 Ų06.2 Ų6.20%03%0.029CC..Hα-helixtrans-66.7-35.3177.2520000112.9L39 T63 H124 C125 G128 T130 M134 I135 V136L39-S132 VanDerWaalsContact CD1-OG 3.24Å; L39-S132 WeakPolarHBondContact CD1-OG 3.31Å; T63-S132 PolarHBondContact OG1-N 3.01Å; H124-S132 VanDerWaalsContact C-CB 3.45Å; C125-S132 PolarHBondContact N-OG 3.23Å; G128-S132 WeakPolarHBondContact CA-OG 3.19Å; T130-S132 PolarHBondContact O-N 3.47Å; S132-M134 VanDerWaalsContact C-N 3.3Å; S132-M134 PolarHBondContact O-N 3.28Å; S132-I135 PolarHBondContact O-N 3.02Å; S132-V136 WeakPolarHBondContact O-CG2 3.21Å; S132-V136 PolarHBondContact O-N 2.92Å
133T97.3Very high95.5Very high0 Ų08.4 Ų8.40%04%0.039CC..Hα-helixtrans-60.1-40.8176.2-58.60000112R129 T130 R131 I135 V136 L137 I155 I162 L164R129-T133 PolarHBondContact O-OG1 2.71Å; T130-T133 WeakPolarHBondContact O-CB 3.46Å; T130-T133 PolarHBondContact O-N 3.49Å; R131-T133 VanDerWaalsContact C-N 3.34Å; R131-T133 PolarHBondContact O-N 3.01Å; T133-I135 VanDerWaalsContact C-N 3.34Å; T133-I135 PolarHBondContact O-N 3.32Å; T133-V136 PolarHBondContact O-N 2.83Å; T133-L137 VanDerWaalsContact O-CB 3.3Å; T133-L137 WeakPolarHBondContact O-CB 3.43Å; T133-L137 PolarHBondContact O-N 3.47Å; T133-I155 HydrophobicContact CG2-CD1 4.38Å; T133-I155 HydrophobicContact CG2-CG2 4.23Å; T133-I162 HydrophobicContact CG2-CB 3.94Å; T133-I162 HydrophobicContact CG2-CD1 3.96Å; T133-I162 HydrophobicContact CG2-CG2 3.81Å; T133-I162 WeakPolarHBondContact OG1-CG2 3.49Å; T133-L164 HydrophobicContact CG2-CD1 4.37Å; T133-L164 HydrophobicContact CG2-CD2 4.21Å; T133-L164 HydrophobicContact CG2-CG 4.38Å
134M97.2Very high95.4Very high1 Ų111 Ų111%0.0055%0.053CC..Hα-helixtrans-57.4-47.6176.2-175.2-173.47200111.2I92 T98 T99 V104 T130 R131 S132 L137 C138 L164 Q168 T171 I172I92-M134 HydrophobicContact CD1-CE 4.09Å; T98-M134 PolarHBondContact OG1-SD 3.34Å; T98-M134 VanDerWaalsContact OG1-SD 3.35Å; T99-M134 HydrophobicContact CG2-CE 4.42Å; V104-M134 HydrophobicContact CG2-CE 4.14Å; T130-M134 PolarHBondContact O-N 3.41Å; R131-M134 WeakPolarHBondContact O-CB 3.45Å; R131-M134 PolarHBondContact O-N 2.83Å; S132-M134 VanDerWaalsContact C-N 3.3Å; S132-M134 PolarHBondContact O-N 3.28Å; M134-L137 PolarHBondContact O-N 3.5Å; M134-C138 PolarHBondContact O-N 2.82Å; M134-C138 PolarHBondContact O-SG 3.49Å; M134-C138 VanDerWaalsContact O-SG 3.41Å; M134-L164 HydrophobicContact CB-CD2 4.15Å; M134-Q168 HydrophobicContact CB-CB 4.44Å; M134-Q168 HydrophobicContact CB-CG 4.46Å; M134-Q168 HydrophobicContact CG-CB 4.15Å; M134-Q168 HydrophobicContact CG-CG 4.44Å; M134-Q168 HydrophobicContact SD-CB 3.82Å; M134-Q168 HydrophobicContact SD-CG 3.77Å; M134-T171 HydrophobicContact CE-CG2 4.34Å; M134-T171 HydrophobicContact SD-CG2 4.01Å; M134-I172 HydrophobicContact CG-CD1 3.97Å; M134-I172 HydrophobicContact CG-CG1 3.77Å
135I97.9Very high95.5Very high0 Ų014.9 Ų14.90%07%0.07CC..Hα-helixtrans-62.4-47.1178-56.5-57.2000111.4L61 T63 L90 V104 A107 I111 R131 S132 T133 L137 C138 Y139L61-I135 HydrophobicContact CD1-CG2 3.96Å; T63-I135 HydrophobicContact CG2-CG1 4.05Å; L90-I135 HydrophobicContact CD2-CD1 4.07Å; V104-I135 HydrophobicContact CB-CD1 4.25Å; V104-I135 HydrophobicContact CG1-CD1 3.94Å; V104-I135 HydrophobicContact CG2-CD1 3.94Å; A107-I135 HydrophobicContact CB-CD1 4.37Å; A107-I135 HydrophobicContact CB-CG2 3.99Å; I111-I135 HydrophobicContact CD1-CG2 3.93Å; R131-I135 PolarHBondContact O-N 2.97Å; S132-I135 PolarHBondContact O-N 3.02Å; T133-I135 VanDerWaalsContact C-N 3.34Å; T133-I135 PolarHBondContact O-N 3.32Å; I135-L137 VanDerWaalsContact C-N 3.26Å; I135-L137 PolarHBondContact O-N 2.51Å; I135-C138 PolarHBondContact O-N 3.24Å; I135-Y139 PolarHBondContact O-N 2.92Å
136V98.4Very high95.8Very high0 Ų019.1 Ų19.10%09%0.085CC..Hα-helixtrans-61.7-36.9178.6175.20000111.6I33 V37 L39 V123 S132 T133 Y139 L140 I155I33-V136 HydrophobicContact CB-CG1 4.45Å; I33-V136 HydrophobicContact CG1-CG1 4.25Å; I33-V136 HydrophobicContact CG2-CG1 4.06Å; V37-V136 HydrophobicContact CG1-CB 4.4Å; V37-V136 HydrophobicContact CG1-CG1 3.85Å; V37-V136 HydrophobicContact CG1-CG2 3.65Å; L39-V136 HydrophobicContact CB-CG2 4.43Å; L39-V136 HydrophobicContact CD1-CG2 4.06Å; V123-V136 HydrophobicContact CB-CG2 3.85Å; V123-V136 HydrophobicContact CG1-CG2 3.87Å; V123-V136 HydrophobicContact CG2-CG2 4.04Å; S132-V136 WeakPolarHBondContact O-CG2 3.21Å; S132-V136 PolarHBondContact O-N 2.92Å; T133-V136 PolarHBondContact O-N 2.83Å; V136-Y139 WeakPolarHBondContact O-CB 3.44Å; V136-Y139 PolarHBondContact O-N 3.49Å; V136-L140 HydrophobicContact CG1-CD1 4.34Å; V136-L140 HydrophobicContact CG1-CG 4.49Å; V136-L140 WeakPolarHBondContact O-CG 3.09Å; V136-L140 PolarHBondContact O-N 2.76Å; V136-I155 HydrophobicContact CB-CD1 4.31Å; V136-I155 HydrophobicContact CG1-CD1 3.9Å; V136-I155 HydrophobicContact CG1-CG1 4.21Å
137L98.3Very high96.2Very high0 Ų026.5 Ų26.50%011%0.114CC..Hα-helixtrans-65.8-46.8177.5-163.5159000110.6T133 M134 I135 Y139 L140 M141 A151 Y152 I155 L164 W169 I172T133-L137 VanDerWaalsContact O-CB 3.3Å; T133-L137 WeakPolarHBondContact O-CB 3.43Å; T133-L137 PolarHBondContact O-N 3.47Å; M134-L137 PolarHBondContact O-N 3.5Å; I135-L137 VanDerWaalsContact C-N 3.26Å; I135-L137 PolarHBondContact O-N 2.51Å; L137-Y139 VanDerWaalsContact C-N 3.32Å; L137-Y139 PolarHBondContact O-N 3.14Å; L137-L140 PolarHBondContact O-N 2.86Å; L137-M141 HydrophobicContact CD2-CG 4.01Å; L137-M141 HydrophobicContact CD2-SD 3.35Å; L137-M141 WeakPolarHBondContact CD2-SD 3.09Å; L137-M141 VanDerWaalsContact O-CG 3.29Å; L137-M141 WeakPolarHBondContact O-CG 3.24Å; L137-M141 PolarHBondContact O-N 3.34Å; L137-A151 HydrophobicContact CD2-CB 4.11Å; L137-A151 HydrophobicContact CG-CB 3.96Å; L137-Y152 HydrophobicContact CD1-CD2 4.06Å; L137-I155 HydrophobicContact CB-CD1 3.73Å; L137-I155 HydrophobicContact CD1-CD1 4.45Å; L137-I155 HydrophobicContact CG-CD1 4.15Å; L137-L164 HydrophobicContact CD1-CD1 3.68Å; L137-W169 HydrophobicContact CD1-CH2 4.36Å; L137-I172 HydrophobicContact CD1-CD1 4.04Å; L137-I172 HydrophobicContact CD2-CB 4.48Å; L137-I172 HydrophobicContact CD2-CD1 4.07Å; L137-I172 HydrophobicContact CD2-CG1 4.18Å; L137-I172 HydrophobicContact CD2-CG2 3.47Å; L137-I172 VanDerWaalsContact CD2-CG2 3.47Å; L137-I172 HydrophobicContact CG-CD1 4.45Å
138C98.4Very high96.6Very high0 Ų026.1 Ų26.10%011%0.111CC..Hα-helixtrans-59.3-41.3174.1-680000112.6V104 V108 M134 I135 M141 E142 Y175V104-C138 HydrophobicContact CG1-CB 3.75Å; V108-C138 HydrophobicContact CG2-CB 4.08Å; M134-C138 PolarHBondContact O-N 2.82Å; M134-C138 PolarHBondContact O-SG 3.49Å; M134-C138 VanDerWaalsContact O-SG 3.41Å; I135-C138 PolarHBondContact O-N 3.24Å; C138-M141 PolarHBondContact O-N 3.38Å; C138-E142 PolarHBondContact O-N 2.98Å; C138-Y175 HydrophobicContact CB-CD1 3.62Å; C138-Y175 HydrophobicContact CB-CD2 4.44Å; C138-Y175 HydrophobicContact CB-CE1 3.74Å; C138-Y175 HydrophobicContact CB-CG 4.01Å
139Y98.5Very high97Very high0 Ų030 Ų300%014%0.136CC..Hα-helixtrans-57.2-51.9173.6158.6-105.2000112D34 T36 V37 V108 I111 R112 E115 I135 V136 L137 M141 E142 K143D34-Y139 VanDerWaalsContact OD2-CE1 3.27Å; D34-Y139 WeakPolarHBondContact OD2-CE1 3.45Å; D34-Y139 PolarHBondContact OD2-OH 3.43Å; T36-Y139 WeakPolarHBondContact CB-OH 3.32Å; V37-Y139 HydrophobicContact CB-CD1 4.46Å; V37-Y139 HydrophobicContact CB-CE1 4.1Å; V37-Y139 HydrophobicContact CG2-CD1 3.65Å; V37-Y139 HydrophobicContact CG2-CE1 3.35Å; V37-Y139 HydrophobicContact CG2-CG 4.37Å; V108-Y139 HydrophobicContact CG1-CD2 4.47Å; I111-Y139 HydrophobicContact CB-CD2 4.15Å; I111-Y139 HydrophobicContact CB-CE2 4.49Å; I111-Y139 HydrophobicContact CD1-CG 4.38Å; I111-Y139 HydrophobicContact CG2-CD1 4.36Å; I111-Y139 HydrophobicContact CG2-CD2 3.54Å; I111-Y139 HydrophobicContact CG2-CE1 4.34Å; I111-Y139 HydrophobicContact CG2-CE2 3.52Å; I111-Y139 HydrophobicContact CG2-CG 3.96Å; R112-Y139 HydrophobicContact CG-CD2 4.03Å; R112-Y139 HydrophobicContact CG-CE2 4.06Å; E115-Y139 WeakPolarHBondContact OE1-CE2 3.45Å; E115-Y139 PolarHBondContact OE1-OH 2.73Å; I135-Y139 PolarHBondContact O-N 2.92Å; V136-Y139 WeakPolarHBondContact O-CB 3.44Å; V136-Y139 PolarHBondContact O-N 3.49Å; L137-Y139 VanDerWaalsContact C-N 3.32Å; L137-Y139 PolarHBondContact O-N 3.14Å; Y139-M141 VanDerWaalsContact C-N 3.3Å; Y139-M141 PolarHBondContact O-N 3.43Å; Y139-E142 PolarHBondContact O-N 3.42Å; Y139-K143 HydrophobicContact CE1-CD 4.17Å; Y139-K143 HydrophobicContact CE2-CB 4.31Å; Y139-K143 HydrophobicContact CE2-CD 4.02Å; Y139-K143 WeakPolarHBondContact O-CB 3.47Å; Y139-K143 PolarHBondContact O-N 2.69Å; Y139-K143 VanDerWaalsContact OH-CD 3.25Å; Y139-K143 WeakPolarHBondContact OH-CD 3.45Å; Y139-K143 PolarHBondContact OH-NZ 2.89Å
140L98.5Very high97.3Very high1 Ų128.5 Ų28.51%0.00514%0.14CC..Hα-helixtrans-62-38-179.5-73.9174.2000112.3I33 V136 L137 N144 A151 L154 I155I33-L140 HydrophobicContact CG2-CD1 3.93Å; I33-L140 HydrophobicContact CG2-CD2 4.49Å; V136-L140 HydrophobicContact CG1-CD1 4.34Å; V136-L140 HydrophobicContact CG1-CG 4.49Å; V136-L140 WeakPolarHBondContact O-CG 3.09Å; V136-L140 PolarHBondContact O-N 2.76Å; L137-L140 PolarHBondContact O-N 2.86Å; L140-N144 WeakPolarHBondContact O-CB 3.32Å; L140-N144 PolarHBondContact O-N 3.05Å; L140-N144 PolarHBondContact O-ND2 3.34Å; L140-A151 HydrophobicContact CB-CB 3.89Å; L140-A151 HydrophobicContact CD1-CB 4.37Å; L140-L154 HydrophobicContact CD1-CD2 3.99Å; L140-L154 HydrophobicContact CD2-CD2 4.06Å; L140-I155 HydrophobicContact CD1-CD1 3.89Å; L140-I155 HydrophobicContact CD1-CG1 3.58Å
141M98.3Very high97.5Very high0 Ų027.9 Ų27.90%014%0.136CC..Hα-helixtrans-64-45.8176.2-69174.966.800111.6L137 C138 Y139 K145 W146 A151 I172 A176 V180L137-M141 HydrophobicContact CD2-CG 4.01Å; L137-M141 HydrophobicContact CD2-SD 3.35Å; L137-M141 WeakPolarHBondContact CD2-SD 3.09Å; L137-M141 VanDerWaalsContact O-CG 3.29Å; L137-M141 WeakPolarHBondContact O-CG 3.24Å; L137-M141 PolarHBondContact O-N 3.34Å; C138-M141 PolarHBondContact O-N 3.38Å; Y139-M141 VanDerWaalsContact C-N 3.3Å; Y139-M141 PolarHBondContact O-N 3.43Å; M141-K145 WeakPolarHBondContact O-CA 3.42Å; M141-K145 PolarHBondContact O-N 3.06Å; M141-W146 WeakPolarHBondContact CG-O 3.38Å; M141-W146 PolarHBondContact O-N 2.95Å; M141-A151 HydrophobicContact CG-CB 3.82Å; M141-I172 HydrophobicContact CE-CG2 4.49Å; M141-I172 HydrophobicContact SD-CG2 3.71Å; M141-A176 HydrophobicContact CE-CB 3.25Å; M141-V180 HydrophobicContact CB-CG2 4.1Å
142E97.4Very high97.7Very high11 Ų1130.6 Ų30.65%0.05115%0.147CC..Hα-helixtrans-66.9-47179.4-172.4-179.614100112.2H105 V108 R112 C138 Y139 Y175 V180H105-E142 IonicContact CE1-OE2 2.69Å; H105-E142 IonicContact ND1-OE2 3.6Å; V108-E142 HydrophobicContact CG1-CB 4.49Å; V108-E142 WeakPolarHBondContact CG1-OE2 3.47Å; R112-E142 IonicContact CZ-OE1 3.21Å; R112-E142 IonicContact NH1-OE1 3.52Å; R112-E142 PolarHBondContact NH1-OE1 3.08Å; C138-E142 PolarHBondContact O-N 2.98Å; Y139-E142 PolarHBondContact O-N 3.42Å; E142-Y175 HydrophobicContact CB-CE1 4.37Å; E142-Y175 PolarHBondContact OE2-OH 3.37Å; E142-V180 HydrophobicContact CB-CG2 4.29Å
143K97.1Very high97.8Very high46 Ų4635 Ų3520%0.217%0.174CC..Hα-helixtrans-59.7-51-179.9172-179.5176.5177.90112.1D34 E35 E115 Y139D34-K143 IonicContact OD2-NZ 2.62Å; D34-K143 PolarHBondContact OD2-NZ 2.83Å; E35-K143 WeakPolarHBondContact OE1-CE 2.78Å; E35-K143 IonicContact OE1-NZ 3.05Å; E35-K143 PolarHBondContact OE1-NZ 2.84Å; E35-K143 IonicContact OE2-NZ 2.69Å; E35-K143 PolarHBondContact OE2-NZ 2.71Å; E115-K143 WeakPolarHBondContact OE1-CD 3.35Å; Y139-K143 HydrophobicContact CE1-CD 4.17Å; Y139-K143 HydrophobicContact CE2-CB 4.31Å; Y139-K143 HydrophobicContact CE2-CD 4.02Å; Y139-K143 WeakPolarHBondContact O-CB 3.47Å; Y139-K143 PolarHBondContact O-N 2.69Å; Y139-K143 VanDerWaalsContact OH-CD 3.25Å; Y139-K143 WeakPolarHBondContact OH-CD 3.45Å; Y139-K143 PolarHBondContact OH-NZ 2.89Å
144N96.9Very high97.9Very high56 Ų5637 Ų3730%0.29919%0.185SC..Hα-helixtrans-99.4-0.1-169.7-56.7-73.7000113.5L140 W146L140-N144 WeakPolarHBondContact O-CB 3.32Å; L140-N144 PolarHBondContact O-N 3.05Å; L140-N144 PolarHBondContact O-ND2 3.34Å; N144-W146 HydrophobicContact CB-CB 4.47Å; N144-W146 HydrophobicContact CB-CD2 3.48Å; N144-W146 VanDerWaalsContact CB-CD2 3.48Å; N144-W146 HydrophobicContact CB-CE3 4.07Å; N144-W146 HydrophobicContact CB-CG 3.65Å; N144-W146 HydrophobicContact CB-CH2 4.43Å; N144-W146 HydrophobicContact CB-CZ2 3.9Å; N144-W146 PolarHBondContact O-N 3.41Å
145K96.9Very high97.9Very high81 Ų8137 Ų3735%0.35218%0.184SC..THydrogen-bonded Turntrans5146.7-170.6-56.5-59.6-173.7173.30111.5M141 V180 W181M141-K145 WeakPolarHBondContact O-CA 3.42Å; M141-K145 PolarHBondContact O-N 3.06Å; K145-V180 HydrophobicContact CD-CG1 4.09Å; K145-V180 PolarHBondContact NZ-O 3.46Å; K145-W181 HydrophobicContact CB-CH2 4.45Å; K145-W181 HydrophobicContact CB-CZ3 4.41Å; K145-W181 VanDerWaalsContact O-CH2 3.31Å; K145-W181 WeakPolarHBondContact O-CH2 3.1Å
146W97.7Very high97.8Very high92 Ų9240.4 Ų40.435%0.34820%0.199SC..  trans-96.1149.3179.9-73.8-6.6000111.9M141 N144 A150 A151 L154M141-W146 WeakPolarHBondContact CG-O 3.38Å; M141-W146 PolarHBondContact O-N 2.95Å; N144-W146 HydrophobicContact CB-CB 4.47Å; N144-W146 HydrophobicContact CB-CD2 3.48Å; N144-W146 VanDerWaalsContact CB-CD2 3.48Å; N144-W146 HydrophobicContact CB-CE3 4.07Å; N144-W146 HydrophobicContact CB-CG 3.65Å; N144-W146 HydrophobicContact CB-CH2 4.43Å; N144-W146 HydrophobicContact CB-CZ2 3.9Å; N144-W146 PolarHBondContact O-N 3.41Å; W146-A150 HydrophobicContact CB-CB 4.19Å; W146-A150 HydrophobicContact CD2-CB 4.31Å; W146-A150 HydrophobicContact CE3-CB 4.42Å; W146-A150 HydrophobicContact CG-CB 4.24Å; W146-A151 HydrophobicContact CE3-CB 4.39Å; W146-L154 HydrophobicContact CH2-CD2 4.02Å; W146-L154 HydrophobicContact CZ3-CB 4.32Å; W146-L154 HydrophobicContact CZ3-CD2 3.71Å
147Y97.6Very high97.7Very high161 Ų16144.2 Ų44.263%0.63123%0.226SC*.  trans-70.2153.4161.1-67.1-76.5000110.6P149 A150 A151 W181Y147-P149 VanDerWaalsContact C-N 3.31Å; Y147-A150 PolarHBondContact O-N 2.98Å; Y147-A150 VanDerWaalsContact O-N 3.08Å; Y147-A151 PolarHBondContact O-N 3.22Å; Y147-W181 AromaticContact CD1-CZ2 3.85Å; Y147-W181 HydrophobicContact CD1-CZ2 3.85Å; Y147-W181 HydrophobicContact CE1-CH2 4.5Å; Y147-W181 AromaticContact CE1-CZ2 3.78Å; Y147-W181 HydrophobicContact CE1-CZ2 3.78Å; Y147-W181 HydrophobicContact CE2-CZ2 4.46Å; Y147-W181 HydrophobicContact CG-CZ2 4.22Å
148S97.5Very high97.6Very high9 Ų949.2 Ų49.26%0.06325%0.248CC..Hα-helixtrans-56-32.8-175.769.40000114.8A150 A151 Y152 E173S148-A150 VanDerWaalsContact C-N 3.35Å; S148-A150 PolarHBondContact O-N 3.05Å; S148-A151 PolarHBondContact O-N 2.87Å; S148-Y152 VanDerWaalsContact O-CB 3.25Å; S148-Y152 WeakPolarHBondContact O-CB 3.28Å; S148-Y152 PolarHBondContact O-N 2.89Å; S148-E173 WeakPolarHBondContact CB-OE1 3.26Å; S148-E173 PolarHBondContact OG-OE1 3.35Å
149P97.9Very high97.4Very high81 Ų8149.6 Ų49.653%0.52625%0.249SC..Hα-helixtrans-65.9-34.1176.7-23.236.9000113.6Y147 T153Y147-P149 VanDerWaalsContact C-N 3.31Å; P149-T153 VanDerWaalsContact O-CB 3.31Å; P149-T153 WeakPolarHBondContact O-CB 3.42Å; P149-T153 PolarHBondContact O-N 3.11Å; P149-T153 PolarHBondContact O-OG1 3.06Å
150A98.1Very high97.1Very high46 Ų4653.5 Ų53.538%0.3827%0.274SS..Hα-helixtrans-70.1-47178.500000110.9W146 Y147 S148 Y152 T153 L154W146-A150 HydrophobicContact CB-CB 4.19Å; W146-A150 HydrophobicContact CD2-CB 4.31Å; W146-A150 HydrophobicContact CE3-CB 4.42Å; W146-A150 HydrophobicContact CG-CB 4.24Å; Y147-A150 PolarHBondContact O-N 2.98Å; Y147-A150 VanDerWaalsContact O-N 3.08Å; S148-A150 VanDerWaalsContact C-N 3.35Å; S148-A150 PolarHBondContact O-N 3.05Å; A150-Y152 PolarHBondContact O-N 3.39Å; A150-T153 PolarHBondContact O-N 3.2Å; A150-L154 PolarHBondContact O-N 2.9Å
151A98.2Very high96.7Very high0 Ų056.7 Ų56.70%029%0.286CS..Hα-helixtrans-59.9-44.6173.900000111.7L137 L140 M141 W146 Y147 S148 T153 L154 I155L137-A151 HydrophobicContact CD2-CB 4.11Å; L137-A151 HydrophobicContact CG-CB 3.96Å; L140-A151 HydrophobicContact CB-CB 3.89Å; L140-A151 HydrophobicContact CD1-CB 4.37Å; M141-A151 HydrophobicContact CG-CB 3.82Å; W146-A151 HydrophobicContact CE3-CB 4.39Å; Y147-A151 PolarHBondContact O-N 3.22Å; S148-A151 PolarHBondContact O-N 2.87Å; A151-T153 PolarHBondContact O-N 3.38Å; A151-L154 PolarHBondContact O-N 3.37Å; A151-I155 WeakPolarHBondContact O-CG1 3.44Å; A151-I155 PolarHBondContact O-N 2.94Å; A151-I155 VanDerWaalsContact O-N 3.12Å
152Y98.2Very high96.5Very high58 Ų5856.7 Ų56.723%0.22729%0.287CS..Hα-helixtrans-59.2-46.5175.7-178.2-93.4000112.1L137 S148 A150 L154 I155 K156 I162 L164 W169L137-Y152 HydrophobicContact CD1-CD2 4.06Å; S148-Y152 VanDerWaalsContact O-CB 3.25Å; S148-Y152 WeakPolarHBondContact O-CB 3.28Å; S148-Y152 PolarHBondContact O-N 2.89Å; A150-Y152 PolarHBondContact O-N 3.39Å; Y152-L154 VanDerWaalsContact C-N 3.34Å; Y152-L154 PolarHBondContact O-N 3.25Å; Y152-I155 PolarHBondContact O-N 3.03Å; Y152-K156 HydrophobicContact CD1-CB 4.42Å; Y152-K156 HydrophobicContact CE1-CB 4.15Å; Y152-K156 HydrophobicContact CE1-CD 4.27Å; Y152-K156 HydrophobicContact CE1-CG 4.2Å; Y152-K156 VanDerWaalsContact O-CB 3.25Å; Y152-K156 WeakPolarHBondContact O-CB 3.24Å; Y152-K156 PolarHBondContact O-N 2.85Å; Y152-I162 HydrophobicContact CD2-CD1 3.93Å; Y152-I162 HydrophobicContact CE2-CD1 3.58Å; Y152-I162 HydrophobicContact CE2-CG1 4.26Å; Y152-L164 HydrophobicContact CD2-CD1 3.98Å; Y152-L164 HydrophobicContact CE2-CD1 4.12Å; Y152-W169 AromaticContact CD2-CH2 3.69Å; Y152-W169 HydrophobicContact CD2-CH2 3.69Å; Y152-W169 AromaticContact CD2-CZ2 3.62Å; Y152-W169 HydrophobicContact CD2-CZ2 3.62Å; Y152-W169 HydrophobicContact CE2-CH2 4.42Å; Y152-W169 AromaticContact CE2-CZ2 3.9Å; Y152-W169 HydrophobicContact CE2-CZ2 3.9Å; Y152-W169 AromaticContact CG-CH2 3.93Å; Y152-W169 HydrophobicContact CG-CH2 3.93Å; Y152-W169 HydrophobicContact CG-CZ2 4.19Å
153T98Very high96.3Very high91 Ų9158.2 Ų58.256%0.55830%0.296SS*.Hα-helixtrans-61.1-43.3-179.1-61.60000111.2P149 A150 A151 K156 S157P149-T153 VanDerWaalsContact O-CB 3.31Å; P149-T153 WeakPolarHBondContact O-CB 3.42Å; P149-T153 PolarHBondContact O-N 3.11Å; P149-T153 PolarHBondContact O-OG1 3.06Å; A150-T153 PolarHBondContact O-N 3.2Å; A151-T153 PolarHBondContact O-N 3.38Å; T153-K156 PolarHBondContact O-N 3.1Å; T153-S157 WeakPolarHBondContact O-CB 3.38Å; T153-S157 PolarHBondContact O-N 3.07Å
154L98.1Very high96.1Very high44 Ų4456.8 Ų56.823%0.2329%0.291CS..Hα-helixtrans-58.6-53.3174.7177.962.8000111L140 W146 A150 A151 Y152 K156 S157 K158L140-L154 HydrophobicContact CD1-CD2 3.99Å; L140-L154 HydrophobicContact CD2-CD2 4.06Å; W146-L154 HydrophobicContact CH2-CD2 4.02Å; W146-L154 HydrophobicContact CZ3-CB 4.32Å; W146-L154 HydrophobicContact CZ3-CD2 3.71Å; A150-L154 PolarHBondContact O-N 2.9Å; A151-L154 PolarHBondContact O-N 3.37Å; Y152-L154 VanDerWaalsContact C-N 3.34Å; Y152-L154 PolarHBondContact O-N 3.25Å; L154-K156 VanDerWaalsContact C-N 3.32Å; L154-K156 PolarHBondContact O-N 3.44Å; L154-S157 PolarHBondContact O-N 3.07Å; L154-S157 PolarHBondContact O-OG 3.17Å; L154-K158 PolarHBondContact O-N 3.12Å
155I97.7Very high96Very high0 Ų058.6 Ų58.60%029%0.294CS..Hα-helixtrans-61.5-43.1-178.9-57.7167.3000110.5I33 L39 T133 V136 L137 L140 A151 Y152 S157 K158 R159 I162I33-I155 HydrophobicContact CD1-CG2 4.13Å; I33-I155 HydrophobicContact CG2-CG1 4.14Å; L39-I155 HydrophobicContact CD2-CG2 3.67Å; T133-I155 HydrophobicContact CG2-CD1 4.38Å; T133-I155 HydrophobicContact CG2-CG2 4.23Å; V136-I155 HydrophobicContact CB-CD1 4.31Å; V136-I155 HydrophobicContact CG1-CD1 3.9Å; V136-I155 HydrophobicContact CG1-CG1 4.21Å; L137-I155 HydrophobicContact CB-CD1 3.73Å; L137-I155 HydrophobicContact CD1-CD1 4.45Å; L137-I155 HydrophobicContact CG-CD1 4.15Å; L140-I155 HydrophobicContact CD1-CD1 3.89Å; L140-I155 HydrophobicContact CD1-CG1 3.58Å; A151-I155 WeakPolarHBondContact O-CG1 3.44Å; A151-I155 PolarHBondContact O-N 2.94Å; A151-I155 VanDerWaalsContact O-N 3.12Å; Y152-I155 PolarHBondContact O-N 3.03Å; I155-S157 VanDerWaalsContact C-N 3.29Å; I155-S157 PolarHBondContact O-N 3.43Å; I155-K158 PolarHBondContact O-N 3.21Å; I155-K158 VanDerWaalsContact O-N 3.14Å; I155-R159 PolarHBondContact O-N 2.74Å; I155-I162 HydrophobicContact CB-CD1 4.1Å; I155-I162 HydrophobicContact CG2-CD1 3.85Å; I155-I162 HydrophobicContact CG2-CG2 4.02Å
156K96.6Very high95.8Very high72 Ų7262 Ų6231%0.31331%0.311SS..Hα-helixtrans-61.7-37.6179.7-167.668.2164.9-177.80111.9Y152 T153 L154 K158 R159 P160 I162Y152-K156 HydrophobicContact CD1-CB 4.42Å; Y152-K156 HydrophobicContact CE1-CB 4.15Å; Y152-K156 HydrophobicContact CE1-CD 4.27Å; Y152-K156 HydrophobicContact CE1-CG 4.2Å; Y152-K156 VanDerWaalsContact O-CB 3.25Å; Y152-K156 WeakPolarHBondContact O-CB 3.24Å; Y152-K156 PolarHBondContact O-N 2.85Å; T153-K156 PolarHBondContact O-N 3.1Å; L154-K156 VanDerWaalsContact C-N 3.32Å; L154-K156 PolarHBondContact O-N 3.44Å; K156-K158 VanDerWaalsContact C-N 3.29Å; K156-K158 PolarHBondContact O-N 3.08Å; K156-R159 CarbonylContact O-C 3.36Å; K156-P160 WeakPolarHBondContact CD-O 3.29Å; K156-P160 WeakPolarHBondContact CE-O 3.49Å; K156-P160 PolarHBondContact NZ-O 3.42Å; K156-P160 VanDerWaalsContact O-CA 3.26Å; K156-P160 WeakPolarHBondContact O-CA 3.39Å; K156-I162 HydrophobicContact CB-CD1 4.18Å; K156-I162 HydrophobicContact CD-CD1 4.06Å; K156-I162 HydrophobicContact CD-CG1 3.57Å; K156-I162 PolarHBondContact NZ-O 3.35Å
157S96.3Very high95.6Very high80 Ų8062 Ų6256%0.55932%0.315SS*.Hα-helixtrans-64.2-33.1176.578.90000112.8T153 L154 I155T153-S157 WeakPolarHBondContact O-CB 3.38Å; T153-S157 PolarHBondContact O-N 3.07Å; L154-S157 PolarHBondContact O-N 3.07Å; L154-S157 PolarHBondContact O-OG 3.17Å; I155-S157 VanDerWaalsContact C-N 3.29Å; I155-S157 PolarHBondContact O-N 3.43Å
158K95.6Very high95.4Very high104 Ų10454.4 Ų54.445%0.45229%0.285SS..Hα-helixtrans-89.2-33.2179.1-59.7-62.8-175.4178.60112.8N31 I33 L154 I155 K156N31-K158 PolarHBondContact ND2-O 2.85Å; I33-K158 HydrophobicContact CD1-CB 3.84Å; I33-K158 HydrophobicContact CD1-CG 4.46Å; L154-K158 PolarHBondContact O-N 3.12Å; I155-K158 PolarHBondContact O-N 3.21Å; I155-K158 VanDerWaalsContact O-N 3.14Å; K156-K158 VanDerWaalsContact C-N 3.29Å; K156-K158 PolarHBondContact O-N 3.08Å
159R94.1Very high95.4Very high8 Ų857.6 Ų57.63%0.0330%0.296CS..  trans-135.683.7-177.2-165.6168.3-176.380.8-7.3110.1P28 W29 N31 A127 G128 I155 K156 R161 I162P28-R159 PolarHBondContact O-NH1 2.76Å; W29-R159 PolarHBondContact O-NH1 3.23Å; W29-R159 PolarHBondContact O-NH2 3.35Å; N31-R159 HydrophobicContact CB-CB 4.43Å; N31-R159 WeakPolarHBondContact OD1-CG 3.41Å; N31-R159 PolarHBondContact OD1-NH1 2.86Å; A127-R159 PolarHBondContact O-NH2 2.72Å; G128-R159 WeakPolarHBondContact O-CD 3.42Å; G128-R159 PolarHBondContact O-NE 2.93Å; I155-R159 PolarHBondContact O-N 2.74Å; K156-R159 CarbonylContact O-C 3.36Å; R159-R161 PolarHBondContact O-N 2.87Å; R159-I162 HydrophobicContact CB-CG2 4.16Å; R159-I162 HydrophobicContact CG-CG2 4.06Å; R159-I162 PolarHBondContact O-N 3.23Å
160P91.9Very high95.3Very high82 Ų8256.4 Ų56.453%0.53229%0.287SS..THydrogen-bonded Turntrans-60.2-18-170.6-28.236.2000115.7K156K156-P160 WeakPolarHBondContact CD-O 3.29Å; K156-P160 WeakPolarHBondContact CE-O 3.49Å; K156-P160 PolarHBondContact NZ-O 3.42Å; K156-P160 VanDerWaalsContact O-CA 3.26Å; K156-P160 WeakPolarHBondContact O-CA 3.39Å
161R90.4Very high95.2Very high68 Ų6854.8 Ų54.826%0.25727%0.273SS..THydrogen-bonded Turntrans-99.910.6-171.6-55.6-168-168.2-127.28.8114.9D26 W27 R129 R159D26-R161 PolarHBondContact O-NE 3.33Å; D26-R161 PolarHBondContact O-NH2 3.24Å; D26-R161 VanDerWaalsContact O-NH2 3.1Å; W27-R161 VanDerWaalsContact CD2-CD 3.48Å; R129-R161 PolarHBondContact NE-O 3.07Å; R129-R161 PolarHBondContact NH2-O 3.11Å; R159-R161 PolarHBondContact O-N 2.87Å
162I94.2Very high95.1Very high1 Ų154.8 Ų54.81%0.00527%0.273CS..  trans-59.3146.9171.561.5165.8000111.7L39 R129 T133 Y152 I155 K156 R159L39-I162 HydrophobicContact CD2-CG2 4.28Å; R129-I162 WeakPolarHBondContact O-CA 3.35Å; T133-I162 HydrophobicContact CG2-CB 3.94Å; T133-I162 HydrophobicContact CG2-CD1 3.96Å; T133-I162 HydrophobicContact CG2-CG2 3.81Å; T133-I162 WeakPolarHBondContact OG1-CG2 3.49Å; Y152-I162 HydrophobicContact CD2-CD1 3.93Å; Y152-I162 HydrophobicContact CE2-CD1 3.58Å; Y152-I162 HydrophobicContact CE2-CG1 4.26Å; I155-I162 HydrophobicContact CB-CD1 4.1Å; I155-I162 HydrophobicContact CG2-CD1 3.85Å; I155-I162 HydrophobicContact CG2-CG2 4.02Å; K156-I162 HydrophobicContact CB-CD1 4.18Å; K156-I162 HydrophobicContact CD-CD1 4.06Å; K156-I162 HydrophobicContact CD-CG1 3.57Å; K156-I162 PolarHBondContact NZ-O 3.35Å; R159-I162 HydrophobicContact CB-CG2 4.16Å; R159-I162 HydrophobicContact CG-CG2 4.06Å; R159-I162 PolarHBondContact O-N 3.23Å
163V93.3Very high95.1Very high42 Ų4255.2 Ų55.226%0.25528%0.277SS..  trans-143.1123.1-179.9-178.20000108.4R129 T130 Y165R129-V163 PolarHBondContact O-N 3.02Å; T130-V163 WeakPolarHBondContact CA-O 3.36Å; T130-V163 VanDerWaalsContact CB-O 3.29Å; T130-V163 WeakPolarHBondContact CB-O 3.48Å; T130-V163 WeakPolarHBondContact CG2-O 3.43Å; T130-V163 PolarHBondContact OG1-O 2.95Å; V163-Y165 HydrophobicContact CG1-CE1 3.98Å; V163-Y165 HydrophobicContact CG1-CE2 4.07Å
164L93.7Very high95Very high17 Ų1754.1 Ų54.19%0.08927%0.268CS..  trans-121.7128.8175.4-65.3170.2000107.9T133 M134 L137 Y152 Q168 W169 I172T133-L164 HydrophobicContact CG2-CD1 4.37Å; T133-L164 HydrophobicContact CG2-CD2 4.21Å; T133-L164 HydrophobicContact CG2-CG 4.38Å; M134-L164 HydrophobicContact CB-CD2 4.15Å; L137-L164 HydrophobicContact CD1-CD1 3.68Å; Y152-L164 HydrophobicContact CD2-CD1 3.98Å; Y152-L164 HydrophobicContact CE2-CD1 4.12Å; L164-Q168 HydrophobicContact CB-CB 4.41Å; L164-Q168 HydrophobicContact CD2-CB 3.93Å; L164-Q168 HydrophobicContact CD2-CG 4.35Å; L164-W169 HydrophobicContact CB-CZ2 4.49Å; L164-W169 HydrophobicContact CD1-CH2 4.42Å; L164-W169 HydrophobicContact CD1-CZ2 3.99Å; L164-W169 PolarHBondContact O-NE1 3.48Å; L164-I172 HydrophobicContact CD1-CD1 3.85Å
165Y93.5Very high95Very high94 Ų9452 Ų5237%0.36926%0.257SS..  trans-94.5175.1176.8-54.4-82.2000110.5F95 F96 T130 V163 Q167 Q168 W169F95-Y165 VanDerWaalsContact O-CD2 3.28Å; F95-Y165 WeakPolarHBondContact O-CD2 3.07Å; F95-Y165 WeakPolarHBondContact O-CE2 3.23Å; F96-Y165 HydrophobicContact CD1-CD2 4.27Å; F96-Y165 HydrophobicContact CD1-CG 4.24Å; F96-Y165 HydrophobicContact CE1-CD1 4.22Å; F96-Y165 HydrophobicContact CE1-CD2 4.46Å; F96-Y165 HydrophobicContact CE1-CE1 4.24Å; F96-Y165 HydrophobicContact CE1-CE2 4.47Å; F96-Y165 HydrophobicContact CE1-CG 4.33Å; T130-Y165 HydrophobicContact CG2-CD2 4.23Å; T130-Y165 HydrophobicContact CG2-CE2 4.39Å; V163-Y165 HydrophobicContact CG1-CE1 3.98Å; V163-Y165 HydrophobicContact CG1-CE2 4.07Å; Y165-Q167 VanDerWaalsContact C-N 3.27Å; Y165-Q167 PolarHBondContact O-N 3.17Å; Y165-Q168 VanDerWaalsContact CB-OE1 3.26Å; Y165-Q168 PolarHBondContact O-N 3.44Å; Y165-Q168 VanDerWaalsContact O-N 3.1Å; Y165-Q168 PolarHBondContact O-OE1 3.44Å; Y165-W169 PolarHBondContact O-N 2.85Å; Y165-W169 VanDerWaalsContact O-N 3.07Å
166H93.4Very high95Very high153 Ų15352.1 Ų52.171%0.70826%0.257SS*.Hα-helixtrans-50.3-45-176.7179.865.8000112.9Q168 W169 T170H166-Q168 PolarHBondContact O-N 2.9Å; H166-W169 PolarHBondContact O-N 3.26Å; H166-T170 PolarHBondContact O-N 3.27Å; H166-T170 PolarHBondContact O-OG1 3.46Å; H166-T170 VanDerWaalsContact O-OG1 3.06Å
167Q92.6Very high95Very high92 Ų9255 Ų5543%0.4327%0.269SS..Hα-helixtrans-62.6-42.2-179.6-64.5-169.614.300112.9F96 Y165 T170 T171F96-Q167 WeakPolarHBondContact O-CB 3.3Å; F96-Q167 PolarHBondContact O-OE1 2.79Å; Y165-Q167 VanDerWaalsContact C-N 3.27Å; Y165-Q167 PolarHBondContact O-N 3.17Å; Q167-T170 PolarHBondContact O-N 3.25Å; Q167-T171 PolarHBondContact O-N 3.46Å; Q167-T171 PolarHBondContact O-OG1 2.8Å
168Q94.5Very high95Very high1 Ų156 Ų561%0.00526%0.264CS..Hα-helixtrans-67.1-39.1177.3-67.776.434.800111.2F96 Y97 T130 M134 L164 Y165 H166 T171 I172F96-Q168 PolarHBondContact O-NE2 3.35Å; F96-Q168 VanDerWaalsContact O-NE2 3.08Å; Y97-Q168 PolarHBondContact O-NE2 3.15Å; T130-Q168 HydrophobicContact CG2-CG 4Å; M134-Q168 HydrophobicContact CB-CB 4.44Å; M134-Q168 HydrophobicContact CB-CG 4.46Å; M134-Q168 HydrophobicContact CG-CB 4.15Å; M134-Q168 HydrophobicContact CG-CG 4.44Å; M134-Q168 HydrophobicContact SD-CB 3.82Å; M134-Q168 HydrophobicContact SD-CG 3.77Å; L164-Q168 HydrophobicContact CB-CB 4.41Å; L164-Q168 HydrophobicContact CD2-CB 3.93Å; L164-Q168 HydrophobicContact CD2-CG 4.35Å; Y165-Q168 VanDerWaalsContact CB-OE1 3.26Å; Y165-Q168 PolarHBondContact O-N 3.44Å; Y165-Q168 VanDerWaalsContact O-N 3.1Å; Y165-Q168 PolarHBondContact O-OE1 3.44Å; H166-Q168 PolarHBondContact O-N 2.9Å; Q168-T171 PolarHBondContact O-N 2.8Å; Q168-I172 WeakPolarHBondContact O-CB 3.41Å; Q168-I172 WeakPolarHBondContact O-CD1 3.24Å; Q168-I172 VanDerWaalsContact O-CG1 3.22Å; Q168-I172 WeakPolarHBondContact O-CG1 3.4Å; Q168-I172 PolarHBondContact O-N 2.69Å
169W96.4Very high95Very high75 Ų7553.2 Ų53.228%0.28425%0.251SS..Hα-helixtrans-62.1-44.1174-79.5112.8000112.1L137 Y152 L164 Y165 H166 T171 I172 E173L137-W169 HydrophobicContact CD1-CH2 4.36Å; Y152-W169 AromaticContact CD2-CH2 3.69Å; Y152-W169 HydrophobicContact CD2-CH2 3.69Å; Y152-W169 AromaticContact CD2-CZ2 3.62Å; Y152-W169 HydrophobicContact CD2-CZ2 3.62Å; Y152-W169 HydrophobicContact CE2-CH2 4.42Å; Y152-W169 AromaticContact CE2-CZ2 3.9Å; Y152-W169 HydrophobicContact CE2-CZ2 3.9Å; Y152-W169 AromaticContact CG-CH2 3.93Å; Y152-W169 HydrophobicContact CG-CH2 3.93Å; Y152-W169 HydrophobicContact CG-CZ2 4.19Å; L164-W169 HydrophobicContact CB-CZ2 4.49Å; L164-W169 HydrophobicContact CD1-CH2 4.42Å; L164-W169 HydrophobicContact CD1-CZ2 3.99Å; L164-W169 PolarHBondContact O-NE1 3.48Å; Y165-W169 PolarHBondContact O-N 2.85Å; Y165-W169 VanDerWaalsContact O-N 3.07Å; H166-W169 PolarHBondContact O-N 3.26Å; W169-T171 VanDerWaalsContact C-N 3.34Å; W169-T171 PolarHBondContact O-N 3.27Å; W169-I172 HydrophobicContact CE3-CD1 4.26Å; W169-I172 HydrophobicContact CE3-CG2 4.4Å; W169-I172 WeakPolarHBondContact O-CB 3.39Å; W169-I172 PolarHBondContact O-N 3.44Å; W169-E173 WeakPolarHBondContact O-CG 3.46Å; W169-E173 PolarHBondContact O-N 3.06Å
170T96Very high95Very high57 Ų5753.3 Ų53.335%0.3525%0.252SS..Hα-helixtrans-57.2-47.4175-58.10000111.2H166 Q167 I172 E173 D174H166-T170 PolarHBondContact O-N 3.27Å; H166-T170 PolarHBondContact O-OG1 3.46Å; H166-T170 VanDerWaalsContact O-OG1 3.06Å; Q167-T170 PolarHBondContact O-N 3.25Å; T170-I172 PolarHBondContact O-N 3.03Å; T170-E173 PolarHBondContact O-N 3Å; T170-D174 WeakPolarHBondContact O-CB 2.8Å; T170-D174 PolarHBondContact O-N 2.68Å
171T96.1Very high95.1Very high12 Ų1254.5 Ų54.57%0.07425%0.246CC..Hα-helixtrans-61.1-41176-59.40000112.8T98 V104 M134 Q167 Q168 W169 Y175T98-T171 WeakPolarHBondContact CB-OG1 3.46Å; T98-T171 VanDerWaalsContact CG2-OG1 3.24Å; T98-T171 WeakPolarHBondContact CG2-OG1 3.22Å; T98-T171 WeakPolarHBondContact OG1-CB 3.27Å; T98-T171 PolarHBondContact OG1-OG1 3.25Å; V104-T171 HydrophobicContact CG2-CG2 3.93Å; M134-T171 HydrophobicContact CE-CG2 4.34Å; M134-T171 HydrophobicContact SD-CG2 4.01Å; Q167-T171 PolarHBondContact O-N 3.46Å; Q167-T171 PolarHBondContact O-OG1 2.8Å; Q168-T171 PolarHBondContact O-N 2.8Å; W169-T171 VanDerWaalsContact C-N 3.34Å; W169-T171 PolarHBondContact O-N 3.27Å; T171-Y175 VanDerWaalsContact O-CB 3.24Å; T171-Y175 WeakPolarHBondContact O-CB 3.25Å; T171-Y175 PolarHBondContact O-N 3.01Å
172I97.6Very high94.9Very high0 Ų052.5 Ų52.50%025%0.246CC..Hα-helixtrans-61.2-47.4177-74.6159.6000111M134 L137 M141 L164 Q168 W169 T170 Y175 A176M134-I172 HydrophobicContact CG-CD1 3.97Å; M134-I172 HydrophobicContact CG-CG1 3.77Å; L137-I172 HydrophobicContact CD1-CD1 4.04Å; L137-I172 HydrophobicContact CD2-CB 4.48Å; L137-I172 HydrophobicContact CD2-CD1 4.07Å; L137-I172 HydrophobicContact CD2-CG1 4.18Å; L137-I172 HydrophobicContact CD2-CG2 3.47Å; L137-I172 VanDerWaalsContact CD2-CG2 3.47Å; L137-I172 HydrophobicContact CG-CD1 4.45Å; M141-I172 HydrophobicContact CE-CG2 4.49Å; M141-I172 HydrophobicContact SD-CG2 3.71Å; L164-I172 HydrophobicContact CD1-CD1 3.85Å; Q168-I172 WeakPolarHBondContact O-CB 3.41Å; Q168-I172 WeakPolarHBondContact O-CD1 3.24Å; Q168-I172 VanDerWaalsContact O-CG1 3.22Å; Q168-I172 WeakPolarHBondContact O-CG1 3.4Å; Q168-I172 PolarHBondContact O-N 2.69Å; W169-I172 HydrophobicContact CE3-CD1 4.26Å; W169-I172 HydrophobicContact CE3-CG2 4.4Å; W169-I172 WeakPolarHBondContact O-CB 3.39Å; W169-I172 PolarHBondContact O-N 3.44Å; T170-I172 PolarHBondContact O-N 3.03Å; I172-Y175 WeakPolarHBondContact O-CB 3.06Å; I172-Y175 PolarHBondContact O-N 2.84Å; I172-A176 WeakPolarHBondContact O-CB 3.29Å; I172-A176 PolarHBondContact O-N 3.16Å
173E97.5Very high93.2Very high67 Ų6761.6 Ų61.631%0.31329%0.286SS..Hα-helixtrans-70.1-37.5-178.4-64.8-51.2141.900112S148 W169 T170 Y175 A176 K177S148-E173 WeakPolarHBondContact CB-OE1 3.26Å; S148-E173 PolarHBondContact OG-OE1 3.35Å; W169-E173 WeakPolarHBondContact O-CG 3.46Å; W169-E173 PolarHBondContact O-N 3.06Å; T170-E173 PolarHBondContact O-N 3Å; E173-Y175 VanDerWaalsContact C-N 3.35Å; E173-A176 WeakPolarHBondContact O-CB 3.49Å; E173-A176 PolarHBondContact O-N 2.89Å; E173-K177 WeakPolarHBondContact O-CG 3.33Å; E173-K177 PolarHBondContact O-N 2.61Å
174D96.5Very high91.3Very high68 Ų6867 Ų6736%0.36431%0.313SS..Hα-helixtrans-68.6-35.9174.8-70-17.9000111.8T101 T170 K177 K178T101-D174 HydrophobicContact CG2-CB 4Å; T170-D174 WeakPolarHBondContact O-CB 2.8Å; T170-D174 PolarHBondContact O-N 2.68Å; D174-K177 IonicContact OD1-NZ 3.84Å; D174-K177 PolarHBondContact OD1-NZ 3.29Å; D174-K177 VanDerWaalsContact OD1-NZ 3.11Å; D174-K178 WeakPolarHBondContact O-CB 3.18Å; D174-K178 PolarHBondContact O-N 3.13Å; D174-K178 VanDerWaalsContact O-N 3.12Å
175Y97.5Very high89.2Confident0 Ų072.2 Ų72.20%034%0.337CS..Hα-helixtrans-59.3-47.4169.4-174.6-90.1000111.4V104 H105 V108 C138 E142 T171 I172 E173 K177 K178 Y179 V180V104-Y175 HydrophobicContact CB-CD2 3.91Å; V104-Y175 HydrophobicContact CB-CE2 4.09Å; V104-Y175 HydrophobicContact CG1-CD2 3.54Å; V104-Y175 HydrophobicContact CG1-CE2 3.65Å; V104-Y175 HydrophobicContact CG1-CG 4.24Å; H105-Y175 HydrophobicContact CB-CE2 3.8Å; H105-Y175 PolarHBondContact ND1-OH 2.88Å; H105-Y175 VanDerWaalsContact ND1-OH 3.14Å; V108-Y175 WeakPolarHBondContact CB-OH 3.49Å; V108-Y175 WeakPolarHBondContact CG1-OH 3.46Å; C138-Y175 HydrophobicContact CB-CD1 3.62Å; C138-Y175 HydrophobicContact CB-CD2 4.44Å; C138-Y175 HydrophobicContact CB-CE1 3.74Å; C138-Y175 HydrophobicContact CB-CG 4.01Å; E142-Y175 HydrophobicContact CB-CE1 4.37Å; E142-Y175 PolarHBondContact OE2-OH 3.37Å; T171-Y175 VanDerWaalsContact O-CB 3.24Å; T171-Y175 WeakPolarHBondContact O-CB 3.25Å; T171-Y175 PolarHBondContact O-N 3.01Å; I172-Y175 WeakPolarHBondContact O-CB 3.06Å; I172-Y175 PolarHBondContact O-N 2.84Å; E173-Y175 VanDerWaalsContact C-N 3.35Å; Y175-K177 PolarHBondContact O-N 3.25Å; Y175-K178 PolarHBondContact O-N 3.44Å; Y175-Y179 AromaticContact CD2-CD2 3.59Å; Y175-Y179 HydrophobicContact CD2-CD2 3.59Å; Y175-Y179 HydrophobicContact CD2-CE2 4.18Å; Y175-Y179 HydrophobicContact CD2-CG 4.45Å; Y175-Y179 AromaticContact CE2-CD2 3.55Å; Y175-Y179 HydrophobicContact CE2-CD2 3.55Å; Y175-Y179 HydrophobicContact CE2-CE2 4.19Å; Y175-Y179 HydrophobicContact CE2-CG 4.08Å; Y175-Y179 HydrophobicContact CG-CD2 4.2Å; Y175-Y179 PolarHBondContact O-N 2.54Å; Y175-V180 HydrophobicContact CD1-CG2 4.27Å; Y175-V180 HydrophobicContact CE1-CG2 4.23Å
176A97.2Very high86.5Confident1 Ų173.9 Ų73.91%0.00836%0.357CS..Iπ-helixtrans-57-51.2179.300000111.8M141 I172 E173 K178 V180 W181M141-A176 HydrophobicContact CE-CB 3.25Å; I172-A176 WeakPolarHBondContact O-CB 3.29Å; I172-A176 PolarHBondContact O-N 3.16Å; E173-A176 WeakPolarHBondContact O-CB 3.49Å; E173-A176 PolarHBondContact O-N 2.89Å; A176-K178 VanDerWaalsContact C-N 3.27Å; A176-K178 PolarHBondContact O-N 3.12Å; A176-V180 WeakPolarHBondContact O-CA 2.98Å; A176-V180 WeakPolarHBondContact O-CB 3.28Å; A176-V180 PolarHBondContact O-N 3.14Å; A176-W181 VanDerWaalsContact O-CD1 3.26Å; A176-W181 PolarHBondContact O-N 3.11Å
177K96.3Very high83.7Confident132 Ų13271.4 Ų71.457%0.57436%0.357SS*.Iπ-helixtrans-57.8-39.8178.3-69.5168.4-165.4159.60112E173 D174 Y175 G182E173-K177 WeakPolarHBondContact O-CG 3.33Å; E173-K177 PolarHBondContact O-N 2.61Å; D174-K177 IonicContact OD1-NZ 3.84Å; D174-K177 PolarHBondContact OD1-NZ 3.29Å; D174-K177 VanDerWaalsContact OD1-NZ 3.11Å; Y175-K177 PolarHBondContact O-N 3.25Å; K177-G182 VanDerWaalsContact O-CA 3.26Å; K177-G182 WeakPolarHBondContact O-CA 3.33Å; K177-G182 PolarHBondContact O-N 3.07Å
178K96Very high80.9Confident102 Ų10275.2 Ų75.244%0.44338%0.38SS..Iπ-helixtrans-83.4-45.9-173.7-171.9172.6176.5-166.60113.5D174 Y175 A176D174-K178 WeakPolarHBondContact O-CB 3.18Å; D174-K178 PolarHBondContact O-N 3.13Å; D174-K178 VanDerWaalsContact O-N 3.12Å; Y175-K178 PolarHBondContact O-N 3.44Å; A176-K178 VanDerWaalsContact C-N 3.27Å; A176-K178 PolarHBondContact O-N 3.12Å
179Y95.9Very high78.2Confident46 Ų4687.9 Ų87.918%0.1844%0.443CS..Iπ-helixtrans-112.3-19.9-167.8-64-74.1000114.5T101 H105 Y175T101-Y179 WeakPolarHBondContact O-CE2 3.41Å; H105-Y179 HydrophobicContact CB-CD1 4.3Å; H105-Y179 HydrophobicContact CB-CD2 4.19Å; H105-Y179 HydrophobicContact CB-CE1 3.94Å; H105-Y179 HydrophobicContact CB-CE2 3.81Å; H105-Y179 HydrophobicContact CB-CG 4.41Å; H105-Y179 AromaticContact CD2-CD1 3.69Å; H105-Y179 AromaticContact CD2-CE1 3.29Å; H105-Y179 WeakPolarHBondContact CD2-CE1 3.38Å; H105-Y179 AromaticContact CD2-CZ 3.87Å; H105-Y179 AromaticContact CE1-CD1 3.52Å; H105-Y179 AromaticContact CE1-CE1 3.96Å; H105-Y179 AromaticContact CG-CD1 3.59Å; H105-Y179 AromaticContact CG-CE1 3.44Å; H105-Y179 VanDerWaalsContact CG-CE1 3.44Å; H105-Y179 AromaticContact CG-CZ 3.74Å; H105-Y179 AromaticContact ND1-CD1 3.49Å; H105-Y179 WeakPolarHBondContact ND1-CD1 3.48Å; H105-Y179 AromaticContact ND1-CE1 3.87Å; H105-Y179 AromaticContact ND1-CG 3.76Å; H105-Y179 AromaticContact NE2-CD1 3.63Å; H105-Y179 AromaticContact NE2-CE1 3.63Å; Y175-Y179 AromaticContact CD2-CD2 3.59Å; Y175-Y179 HydrophobicContact CD2-CD2 3.59Å; Y175-Y179 HydrophobicContact CD2-CE2 4.18Å; Y175-Y179 HydrophobicContact CD2-CG 4.45Å; Y175-Y179 AromaticContact CE2-CD2 3.55Å; Y175-Y179 HydrophobicContact CE2-CD2 3.55Å; Y175-Y179 HydrophobicContact CE2-CE2 4.19Å; Y175-Y179 HydrophobicContact CE2-CG 4.08Å; Y175-Y179 HydrophobicContact CG-CD2 4.2Å; Y175-Y179 PolarHBondContact O-N 2.54Å
180V95.6Very high77.3Confident9 Ų988.5 Ų88.56%0.05545%0.451CS..Iπ-helixtrans-97-47.5179-172.40000110.9M141 E142 K145 Y175 A176M141-V180 HydrophobicContact CB-CG2 4.1Å; E142-V180 HydrophobicContact CB-CG2 4.29Å; K145-V180 HydrophobicContact CD-CG1 4.09Å; K145-V180 PolarHBondContact NZ-O 3.46Å; Y175-V180 HydrophobicContact CD1-CG2 4.27Å; Y175-V180 HydrophobicContact CE1-CG2 4.23Å; A176-V180 WeakPolarHBondContact O-CA 2.98Å; A176-V180 WeakPolarHBondContact O-CB 3.28Å; A176-V180 PolarHBondContact O-N 3.14Å
181W94.2Very high76.3Confident108 Ų10890.2 Ų90.241%0.40946%0.456SS..SBendtrans-108.5-13.2-174.6-47.2123.7000114.2K145 Y147 A176K145-W181 HydrophobicContact CB-CH2 4.45Å; K145-W181 HydrophobicContact CB-CZ3 4.41Å; K145-W181 VanDerWaalsContact O-CH2 3.31Å; K145-W181 WeakPolarHBondContact O-CH2 3.1Å; Y147-W181 AromaticContact CD1-CZ2 3.85Å; Y147-W181 HydrophobicContact CD1-CZ2 3.85Å; Y147-W181 HydrophobicContact CE1-CH2 4.5Å; Y147-W181 AromaticContact CE1-CZ2 3.78Å; Y147-W181 HydrophobicContact CE1-CZ2 3.78Å; Y147-W181 HydrophobicContact CE2-CZ2 4.46Å; Y147-W181 HydrophobicContact CG-CZ2 4.22Å; A176-W181 VanDerWaalsContact O-CD1 3.26Å; A176-W181 PolarHBondContact O-N 3.11Å
182G84.4Confident75.2Confident25 Ų2594.5 Ų94.526%0.25848%0.477SS..SBendtrans-65.2139.118000000111.7K177 N184K177-G182 VanDerWaalsContact O-CA 3.26Å; K177-G182 WeakPolarHBondContact O-CA 3.33Å; K177-G182 PolarHBondContact O-N 3.07Å; G182-N184 PolarHBondContact O-N 2.95Å
183K59.5Low73.9Confident193 Ų193100.1 Ų100.184%0.83951%0.505SS*.SBendtrans-68.824-173.3-70.5-172.7174.9-177.50116
184N53.9Low72.4Confident154 Ų154102.1 Ų102.182%0.82452%0.517SS*.  trans-102.425.2-175.7-73.8-5.4000114.8G182G182-N184 PolarHBondContact O-N 2.95Å
185Q48.9Very low70.8Confident127 Ų127104.4 Ų104.459%0.59353%0.528SS*.  trans-10016.1171.7-66.9-160.1-26.100114.2
186T36.3Very low68.9Low129 Ų129111.9 Ų111.979%0.79157%0.565SS**  trans-108.479.1173.754.80000111.8
187S34.6Very low66.8Low101 Ų101120.4 Ų120.471%0.70661%0.608SS**  trans-172.382.3154.758.90000108.8
188N34.9Very low64.3Low172 Ų172119.4 Ų119.492%0.9261%0.611SS**  trans174.571.9154.5-85.2-15.1000107.5
189M37.6Very low61.4Low267 Ų267121 Ų121100%1.31563%0.626SS**  trans-126.40150.2-121.9-175.5-80.600105.8

Retrieved 189 of 189 residues in 62.8 ms (Link to these results)

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