A0A087YLT8_POEFO Loading...

Gluconokinase

AlphaFold DB , UniProt , Accession A0A087YLT8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 188 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
1V42.5Very low82.8Confident180 Ų18044.3 Ų44.3100%1.09125%0.254SS*.  0108.80-1790000104D3V1-D3 PolarHBondContact O-N 2.67Å
2T54.3Low83.6Confident132 Ų13240.8 Ų40.881%0.8123%0.234SC*.PPolyproline II helixtrans-67.5126.417035.60000106.6K4T2-K4 PolarHBondContact O-N 2.77Å
3D67.8Low83.9Confident110 Ų11041 Ų4159%0.58824%0.239SC*.PPolyproline II helixtrans-62.7134.2174-67.4-41.4000108.4V1 E119V1-D3 PolarHBondContact O-N 2.67Å; D3-E119 HydrophobicContact CB-CG 3.93Å
4K83.9Confident83.9Confident27 Ų2739.1 Ų39.112%0.11723%0.233CC..PPolyproline II helixtrans-75.2131.3-172.9-65.8172.5-175.3179.50110T2 R78 G81T2-K4 PolarHBondContact O-N 2.77Å; K4-R78 PolarHBondContact NZ-O 3.28Å; K4-G81 VanDerWaalsContact CE-O 3.25Å; K4-G81 WeakPolarHBondContact CE-O 3.43Å; K4-G81 VanDerWaalsContact NZ-N 3.14Å
5M89.7Confident83.9Confident34 Ų3436.9 Ų36.917%0.16722%0.22CC..PPolyproline II helixtrans-86.6145.4178.4-60.8-118.8110.900110.8Y7 D83 A84 P118 E119 L188M5-Y7 HydrophobicContact CB-CD2 4.15Å; M5-Y7 HydrophobicContact CB-CE2 3.59Å; M5-Y7 HydrophobicContact CG-CE2 4.37Å; M5-D83 HydrophobicContact CB-CB 4.31Å; M5-D83 PolarHBondContact N-OD1 3.47Å; M5-D83 VanDerWaalsContact O-CA 3.29Å; M5-D83 WeakPolarHBondContact O-CA 3.29Å; M5-D83 VanDerWaalsContact O-CB 3.27Å; M5-D83 WeakPolarHBondContact O-CB 2.94Å; M5-A84 PolarHBondContact O-N 2.96Å; M5-P118 VanDerWaalsContact CE-C 3.45Å; M5-P118 WeakPolarHBondContact CE-O 3.44Å; M5-E119 CarbonylContact C-O 3.55Å; M5-E119 WeakPolarHBondContact CA-O 3.25Å; M5-L188 HydrophobicContact SD-CD1 4.1Å
6I93.8Very high83.6Confident2 Ų235.9 Ų35.91%0.0122%0.219CC..EExtended strand (participates in β ladder)trans-118.9117165.7-60.4-178.4000108.8V8 I72 H75 R76 A84 L86 E119 V120 F121I6-V8 HydrophobicContact CG2-CG2 4.44Å; I6-I72 VanDerWaalsContact CD1-CA 3.46Å; I6-I72 HydrophobicContact CD1-CB 3.92Å; I6-I72 HydrophobicContact CD1-CG1 4.06Å; I6-I72 HydrophobicContact CD1-CG2 3.84Å; I6-I72 WeakPolarHBondContact CD1-O 3.29Å; I6-I72 HydrophobicContact CG2-CG1 4.24Å; I6-H75 HydrophobicContact CD1-CB 3.88Å; I6-R76 HydrophobicContact CD1-CG 4.26Å; I6-A84 WeakPolarHBondContact CA-O 3.42Å; I6-A84 HydrophobicContact CG1-CB 4.33Å; I6-L86 HydrophobicContact CG2-CB 4.14Å; I6-E119 PolarHBondContact N-O 3.05Å; I6-V120 WeakPolarHBondContact O-CA 3.25Å; I6-F121 PolarHBondContact O-N 2.75Å
7Y95.4Very high83Confident2 Ų234 Ų341%0.00821%0.207CC..EExtended strand (participates in β ladder)trans-90.6105.9177.7-70.1-93.1000109.6M5 I9 W33 D83 A84 L85 L86 F121 L123 I185M5-Y7 HydrophobicContact CB-CD2 4.15Å; M5-Y7 HydrophobicContact CB-CE2 3.59Å; M5-Y7 HydrophobicContact CG-CE2 4.37Å; Y7-I9 PolarHBondContact O-N 3.15Å; Y7-W33 HydrophobicContact CD2-CE3 4.2Å; Y7-W33 HydrophobicContact CD2-CH2 4.02Å; Y7-W33 AromaticContact CD2-CZ3 3.36Å; Y7-W33 HydrophobicContact CD2-CZ3 3.36Å; Y7-W33 AromaticContact CE2-CH2 3.54Å; Y7-W33 HydrophobicContact CE2-CH2 3.54Å; Y7-W33 AromaticContact CE2-CZ3 3.4Å; Y7-W33 HydrophobicContact CE2-CZ3 3.4Å; Y7-W33 VanDerWaalsContact CE2-CZ3 3.4Å; Y7-W33 HydrophobicContact CG-CZ3 4.26Å; Y7-D83 HydrophobicContact CE2-CB 4.46Å; Y7-A84 PolarHBondContact N-O 3.06Å; Y7-L85 CarbonylContact O-C 3.54Å; Y7-L85 WeakPolarHBondContact O-CA 3.37Å; Y7-L86 PolarHBondContact O-N 3.43Å; Y7-F121 CarbonylContact C-O 3.49Å; Y7-F121 VanDerWaalsContact CA-O 3.27Å; Y7-F121 WeakPolarHBondContact CA-O 3.34Å; Y7-F121 HydrophobicContact CD1-CB 3.93Å; Y7-F121 HydrophobicContact CD1-CD1 4.01Å; Y7-F121 HydrophobicContact CD1-CG 4.28Å; Y7-F121 HydrophobicContact CE1-CB 3.99Å; Y7-F121 HydrophobicContact CE1-CD1 4.04Å; Y7-F121 HydrophobicContact CE1-CG 4.12Å; Y7-L123 HydrophobicContact CD1-CD1 4.25Å; Y7-L123 HydrophobicContact CD1-CD2 4.21Å; Y7-L123 HydrophobicContact CD1-CG 4.19Å; Y7-I185 HydrophobicContact CE1-CG1 4.2Å; Y7-I185 HydrophobicContact CE2-CG1 4.48Å
8V96.6Very high81.8Confident0 Ų034.3 Ų34.30%021%0.206CC..EExtended strand (participates in β ladder)trans-85.7108177.5-175.60000109.5I6 M10 L86 C88 L99 V120 F121 F122 L123I6-V8 HydrophobicContact CG2-CG2 4.44Å; V8-M10 PolarHBondContact O-N 2.99Å; V8-L86 CarbonylContact C-O 3.59Å; V8-L86 VanDerWaalsContact CA-O 3.25Å; V8-L86 WeakPolarHBondContact CA-O 3.26Å; V8-L86 HydrophobicContact CG2-CB 4.44Å; V8-L86 HydrophobicContact CG2-CD2 4.29Å; V8-C88 HydrophobicContact CG1-CB 3.88Å; V8-L99 HydrophobicContact CG1-CD1 4.23Å; V8-V120 HydrophobicContact CG2-CG1 3.73Å; V8-F121 PolarHBondContact N-O 3.22Å; V8-F122 HydrophobicContact CB-CD1 3.7Å; V8-F122 HydrophobicContact CB-CE1 3.88Å; V8-F122 HydrophobicContact CG1-CD1 3.91Å; V8-F122 HydrophobicContact CG1-CE1 3.94Å; V8-F122 HydrophobicContact CG2-CD1 4.41Å; V8-F122 HydrophobicContact CG2-CE1 4.17Å; V8-F122 CarbonylContact O-C 3.45Å; V8-F122 WeakPolarHBondContact O-CA 3.46Å; V8-L123 PolarHBondContact O-N 3.33Å
9I96.8Very high80.8Confident0 Ų037.3 Ų37.30%022%0.221CC..EExtended strand (participates in β ladder)trans-79.3111.9174.1-50.4176.6000108Y7 K17 L85 L86 C88 L123 L125Y7-I9 PolarHBondContact O-N 3.15Å; I9-K17 HydrophobicContact CG2-CB 4.23Å; I9-K17 HydrophobicContact CG2-CG 4.15Å; I9-K17 WeakPolarHBondContact O-CD 3.31Å; I9-L85 HydrophobicContact CD1-CD2 4.22Å; I9-L85 HydrophobicContact CG1-CD2 4.47Å; I9-L86 PolarHBondContact N-O 3.4Å; I9-C88 PolarHBondContact O-N 3.22Å; I9-C88 VanDerWaalsContact O-O 3.12Å; I9-L123 WeakPolarHBondContact CA-O 3.41Å; I9-L123 HydrophobicContact CG1-CB 4.45Å; I9-L123 HydrophobicContact CG1-CD1 4.27Å; I9-L125 HydrophobicContact CG2-CD1 3.78Å; I9-L125 HydrophobicContact CG2-CD2 4.47Å; I9-L125 HydrophobicContact CG2-CG 3.9Å
10M96.4Very high79.4Confident0 Ų046.6 Ų46.60%025%0.252CS..EExtended strand (participates in β ladder)trans-119.9164.7-172.972.1165.1-74.900114.2V8 C88 A90 F122 L123 Y124 L125 P159V8-M10 PolarHBondContact O-N 2.99Å; M10-C88 WeakPolarHBondContact CA-O 3.49Å; M10-C88 WeakPolarHBondContact CB-O 3.32Å; M10-A90 HydrophobicContact CB-CB 3.98Å; M10-A90 HydrophobicContact CE-CB 4.49Å; M10-A90 WeakPolarHBondContact CE-O 3.4Å; M10-A90 HydrophobicContact SD-CB 4.43Å; M10-F122 HydrophobicContact CG-CB 4.42Å; M10-F122 HydrophobicContact CG-CD1 4.42Å; M10-F122 HydrophobicContact SD-CB 4.03Å; M10-F122 HydrophobicContact SD-CD1 3.86Å; M10-F122 HydrophobicContact SD-CG 4.21Å; M10-L123 PolarHBondContact N-O 3.24Å; M10-Y124 HydrophobicContact CE-CD2 4.05Å; M10-Y124 HydrophobicContact CG-CD2 4.12Å; M10-Y124 HydrophobicContact CG-CG 4.42Å; M10-L125 WeakPolarHBondContact O-CB 3.47Å; M10-L125 PolarHBondContact O-N 2.94Å; M10-P159 HydrophobicContact CE-CG 3.99Å; M10-P159 HydrophobicContact SD-CG 3.67Å
11G94.1Very high78.3Confident0 Ų048.2 Ų48.20%026%0.263CS..SBendtrans134.4172.2-176.200000112.8K17 S89G11-K17 WeakPolarHBondContact O-CD 3.2Å; G11-K17 VanDerWaalsContact O-CE 3.3Å; G11-K17 WeakPolarHBondContact O-CE 3.41Å; G11-K17 PolarHBondContact O-NZ 2.96Å; G11-S89 PolarHBondContact N-O 3.07Å; G11-S89 WeakPolarHBondContact O-CA 3.33Å
12V92.3Very high80Confident3 Ų339.8 Ų39.82%0.01821%0.213CC..SBendtrans-64.8159.7-178.9-58.50000112.3C15 K17 L91 I132 L149 Q152 F153 L156V12-C15 HydrophobicContact CG2-CB 4.25Å; V12-C15 WeakPolarHBondContact O-CB 3.38Å; V12-C15 PolarHBondContact O-N 3.33Å; V12-C15 PolarHBondContact O-SG 3.29Å; V12-K17 VanDerWaalsContact C-NZ 3.28Å; V12-K17 PolarHBondContact O-NZ 2.99Å; V12-L91 HydrophobicContact CG1-CD2 3.97Å; V12-I132 HydrophobicContact CG2-CD1 3.34Å; V12-I132 HydrophobicContact CG2-CG2 4.24Å; V12-L149 HydrophobicContact CB-CD1 4.08Å; V12-L149 HydrophobicContact CG2-CD1 3.87Å; V12-Q152 HydrophobicContact CB-CB 4.28Å; V12-Q152 HydrophobicContact CG1-CB 3.98Å; V12-F153 HydrophobicContact CB-CE2 4.34Å; V12-F153 HydrophobicContact CG1-CD2 4.03Å; V12-F153 HydrophobicContact CG1-CE2 4.13Å; V12-F153 HydrophobicContact CG1-CG 4.37Å; V12-F153 HydrophobicContact CG2-CD2 4.36Å; V12-F153 HydrophobicContact CG2-CE2 3.71Å; V12-F153 HydrophobicContact CG2-CZ 4.07Å; V12-L156 HydrophobicContact CG1-CD2 4.14Å
13S87.3Confident81.4Confident43 Ų4333.8 Ų33.830%0.30118%0.176SC..THydrogen-bonded Turntrans-56.2141.1173.6-168.80000109.7C15S13-C15 VanDerWaalsContact C-N 3.28Å; S13-C15 PolarHBondContact O-N 2.78Å
14G84.2Confident82.3Confident14 Ų1428.5 Ų28.514%0.14415%0.148CC..THydrogen-bonded Turntrans81.8-9.5-177.600000115.8G16G14-G16 PolarHBondContact O-N 3.03Å
15C83.8Confident82.5Confident7 Ų728.7 Ų28.75%0.04715%0.151CC..SBendtrans-70-11.1176.475.80000114V12 S13 K17 L125 I132 I170V12-C15 HydrophobicContact CG2-CB 4.25Å; V12-C15 WeakPolarHBondContact O-CB 3.38Å; V12-C15 PolarHBondContact O-N 3.33Å; V12-C15 PolarHBondContact O-SG 3.29Å; S13-C15 VanDerWaalsContact C-N 3.28Å; S13-C15 PolarHBondContact O-N 2.78Å; C15-K17 VanDerWaalsContact SG-CG 3.51Å; C15-L125 HydrophobicContact CB-CB 4.18Å; C15-L125 VanDerWaalsContact SG-CB 3.59Å; C15-I132 HydrophobicContact CB-CD1 3.89Å; C15-I170 HydrophobicContact CB-CD1 4.46Å
16G78.9Confident82.5Confident20 Ų2029.9 Ų29.921%0.20616%0.155CC..SBendtrans101.128.6175.200000115.2G14 S22 L23G14-G16 PolarHBondContact O-N 3.03Å; G16-S22 VanDerWaalsContact O-CB 3.27Å; G16-S22 WeakPolarHBondContact O-CB 3.2Å; G16-L23 PolarHBondContact O-N 2.64Å; G16-L23 VanDerWaalsContact O-N 3.17Å
17K73.4Confident82.4Confident4 Ų429.8 Ų29.82%0.01716%0.155CC..SBendtrans-66.7-53.2171-55.1-176.5-59.9-68.10111.8I9 G11 V12 C15 S22 A87 L125I9-K17 HydrophobicContact CG2-CB 4.23Å; I9-K17 HydrophobicContact CG2-CG 4.15Å; I9-K17 WeakPolarHBondContact O-CD 3.31Å; G11-K17 WeakPolarHBondContact O-CD 3.2Å; G11-K17 VanDerWaalsContact O-CE 3.3Å; G11-K17 WeakPolarHBondContact O-CE 3.41Å; G11-K17 PolarHBondContact O-NZ 2.96Å; V12-K17 VanDerWaalsContact C-NZ 3.28Å; V12-K17 PolarHBondContact O-NZ 2.99Å; C15-K17 VanDerWaalsContact SG-CG 3.51Å; K17-S22 WeakPolarHBondContact O-CB 3.43Å; K17-S22 PolarHBondContact O-OG 2.84Å; K17-A87 HydrophobicContact CB-CB 4.29Å; K17-L125 HydrophobicContact CG-CD1 4.1Å
18E61.6Low82.2Confident39 Ų3931 Ų3118%0.18216%0.163CC..SBendtrans-122.9141-17758.9-86.9144.700113.7E37 A87E18-E37 VanDerWaalsContact CB-CD 3.41Å; E18-E37 VanDerWaalsContact CB-OE1 3.29Å; E18-E37 WeakPolarHBondContact CB-OE1 3.08Å; E18-E37 WeakPolarHBondContact CB-OE2 3.33Å; E18-E37 WeakPolarHBondContact CG-OE1 3.35Å; E18-A87 HydrophobicContact CB-CB 4.49Å; E18-A87 WeakPolarHBondContact OE2-CB 3.41Å
19N62.6Low82Confident91 Ų9137.8 Ų37.849%0.48720%0.195SC..SBendtrans144.3161.8172.7-169.5-7.3000108.8T21 S22 T25N19-T21 PolarHBondContact O-N 3.08Å; N19-S22 VanDerWaalsContact O-CB 3.22Å; N19-S22 WeakPolarHBondContact O-CB 3.47Å; N19-S22 PolarHBondContact O-N 3.04Å; N19-S22 PolarHBondContact O-OG 2.92Å; N19-T25 PolarHBondContact O-OG1 2.89Å
20R51.8Low81.7Confident223 Ų22345 Ų4584%0.84222%0.222SC*.THydrogen-bonded Turntrans-52.6-11.3177.1-70.1-170.9-169.9-1612.4115.4
21T57.3Low81.5Confident81 Ų8147.2 Ų47.250%0.49723%0.234SC..THydrogen-bonded Turntrans-118.99.2178.753.30000114N19 R174N19-T21 PolarHBondContact O-N 3.08Å; T21-R174 PolarHBondContact O-NH1 3.41Å
22S77.4Confident81.4Confident4 Ų450 Ų503%0.02826%0.262CS..SBendtrans-75164.6-173.8840000113.1G16 K17 N19 G24 T25 F26G16-S22 VanDerWaalsContact O-CB 3.27Å; G16-S22 WeakPolarHBondContact O-CB 3.2Å; K17-S22 WeakPolarHBondContact O-CB 3.43Å; K17-S22 PolarHBondContact O-OG 2.84Å; N19-S22 VanDerWaalsContact O-CB 3.22Å; N19-S22 WeakPolarHBondContact O-CB 3.47Å; N19-S22 PolarHBondContact O-N 3.04Å; N19-S22 PolarHBondContact O-OG 2.92Å; S22-G24 VanDerWaalsContact C-N 3.26Å; S22-G24 PolarHBondContact O-N 2.76Å; S22-G24 PolarHBondContact OG-N 2.9Å; S22-T25 PolarHBondContact OG-N 3.23Å; S22-T25 PolarHBondContact OG-OG1 2.63Å; S22-F26 WeakPolarHBondContact O-CD2 3.34Å; S22-F26 PolarHBondContact O-N 3.16Å
23L84.8Confident81.4Confident5 Ų551.2 Ų51.23%0.02627%0.266CS..Hα-helixtrans-60-40.3174.6-176.267.5000111G16 F26 L27 L125 L168 M177 I178G16-L23 PolarHBondContact O-N 2.64Å; G16-L23 VanDerWaalsContact O-N 3.17Å; L23-F26 PolarHBondContact O-N 3.07Å; L23-L27 HydrophobicContact CD1-CD1 4.11Å; L23-L27 HydrophobicContact CD1-CG 4.14Å; L23-L27 HydrophobicContact CD2-CD1 4.12Å; L23-L27 HydrophobicContact CG-CD1 3.7Å; L23-L27 HydrophobicContact CG-CG 4.15Å; L23-L27 WeakPolarHBondContact O-CB 3.36Å; L23-L27 WeakPolarHBondContact O-CG 3.31Å; L23-L27 PolarHBondContact O-N 3.07Å; L23-L125 HydrophobicContact CD2-CD2 3.7Å; L23-L168 HydrophobicContact CD2-CD1 3.61Å; L23-M177 HydrophobicContact CD1-CB 4.25Å; L23-I178 HydrophobicContact CD1-CD1 4.43Å; L23-I178 HydrophobicContact CD1-CG1 3.52Å
24G86.7Confident81.7Confident0 Ų051.3 Ų51.30%027%0.266CS..Hα-helixtrans-63-45.9-178.600000114.1S22 F26 L27 S28 L85S22-G24 VanDerWaalsContact C-N 3.26Å; S22-G24 PolarHBondContact O-N 2.76Å; S22-G24 PolarHBondContact OG-N 2.9Å; G24-F26 PolarHBondContact O-N 3.35Å; G24-L27 PolarHBondContact O-N 3.36Å; G24-S28 VanDerWaalsContact O-CB 3.24Å; G24-S28 WeakPolarHBondContact O-CB 3.46Å; G24-S28 PolarHBondContact O-N 2.68Å; G24-L85 WeakPolarHBondContact O-CD1 3.28Å
25T87.6Confident82.2Confident30 Ų3053 Ų5318%0.18427%0.269CS..Hα-helixtrans-62.1-43.9176.4-56.80000111.5N19 S22 S28 E29N19-T25 PolarHBondContact O-OG1 2.89Å; S22-T25 PolarHBondContact OG-N 3.23Å; S22-T25 PolarHBondContact OG-OG1 2.63Å; T25-S28 WeakPolarHBondContact O-CB 3.31Å; T25-S28 PolarHBondContact O-N 3.01Å; T25-E29 WeakPolarHBondContact O-CG 3.43Å; T25-E29 PolarHBondContact O-N 3.28Å
26F89.5Confident82.7Confident60 Ų6054.6 Ų54.626%0.26328%0.275SS..Hα-helixtrans-66.9-43.7179.9-89-95.4000112.9S22 L23 G24 S28 E29 R30 I178S22-F26 WeakPolarHBondContact O-CD2 3.34Å; S22-F26 PolarHBondContact O-N 3.16Å; L23-F26 PolarHBondContact O-N 3.07Å; G24-F26 PolarHBondContact O-N 3.35Å; F26-S28 VanDerWaalsContact C-N 3.31Å; F26-E29 PolarHBondContact O-N 3.4Å; F26-R30 WeakPolarHBondContact O-CB 3.48Å; F26-R30 PolarHBondContact O-N 3.14Å; F26-I178 HydrophobicContact CB-CD1 3.84Å; F26-I178 HydrophobicContact CD1-CD1 4.43Å; F26-I178 HydrophobicContact CG-CD1 4.44Å
27L91.8Very high83.3Confident0 Ų055.6 Ų55.60%027%0.274CS..Hα-helixtrans-62.9-40.6175.3-74.6173.7000111.1L23 G24 R30 L31 L85 L123 I178 V181L23-L27 HydrophobicContact CD1-CD1 4.11Å; L23-L27 HydrophobicContact CD1-CG 4.14Å; L23-L27 HydrophobicContact CD2-CD1 4.12Å; L23-L27 HydrophobicContact CG-CD1 3.7Å; L23-L27 HydrophobicContact CG-CG 4.15Å; L23-L27 WeakPolarHBondContact O-CB 3.36Å; L23-L27 WeakPolarHBondContact O-CG 3.31Å; L23-L27 PolarHBondContact O-N 3.07Å; G24-L27 PolarHBondContact O-N 3.36Å; L27-R30 PolarHBondContact O-N 3.35Å; L27-L31 HydrophobicContact CB-CD1 4.35Å; L27-L31 HydrophobicContact CD2-CD1 4.22Å; L27-L31 VanDerWaalsContact O-CB 3.26Å; L27-L31 WeakPolarHBondContact O-CB 3.32Å; L27-L31 VanDerWaalsContact O-CG 3.31Å; L27-L31 WeakPolarHBondContact O-CG 3.15Å; L27-L31 PolarHBondContact O-N 3.5Å; L27-L85 HydrophobicContact CB-CD1 3.54Å; L27-L85 HydrophobicContact CB-CD2 4.27Å; L27-L85 HydrophobicContact CD1-CD2 4.11Å; L27-L123 HydrophobicContact CD1-CD1 4.14Å; L27-I178 HydrophobicContact CD2-CB 4.43Å; L27-I178 HydrophobicContact CD2-CG1 4.12Å; L27-I178 HydrophobicContact CD2-CG2 4.11Å; L27-I178 HydrophobicContact CG-CG1 4.46Å; L27-V181 HydrophobicContact CD1-CG1 4Å; L27-V181 HydrophobicContact CD1-CG2 4.4Å; L27-V181 HydrophobicContact CD2-CB 4.23Å; L27-V181 HydrophobicContact CD2-CG1 3.94Å
28S92.4Very high84.2Confident26 Ų2655.4 Ų55.418%0.18227%0.273CS..Hα-helixtrans-59.9-49.8177.6-178.10000112.1G24 T25 F26 R30 G32 W33 L85G24-S28 VanDerWaalsContact O-CB 3.24Å; G24-S28 WeakPolarHBondContact O-CB 3.46Å; G24-S28 PolarHBondContact O-N 2.68Å; T25-S28 WeakPolarHBondContact O-CB 3.31Å; T25-S28 PolarHBondContact O-N 3.01Å; F26-S28 VanDerWaalsContact C-N 3.31Å; S28-R30 VanDerWaalsContact C-N 3.33Å; S28-R30 PolarHBondContact O-N 3.46Å; S28-G32 WeakPolarHBondContact O-CA 2.95Å; S28-G32 PolarHBondContact O-N 2.97Å; S28-W33 WeakPolarHBondContact CB-O 3.26Å; S28-W33 PolarHBondContact O-N 3.28Å; S28-W33 PolarHBondContact OG-O 3.19Å; S28-L85 VanDerWaalsContact N-CD1 3.3Å
29E91.5Very high85.6Confident144 Ų14456.9 Ų56.967%0.67328%0.282SS*.Hα-helixtrans-62.9-40.2177.8-72.3175.7179.100112T25 F26T25-E29 WeakPolarHBondContact O-CG 3.43Å; T25-E29 PolarHBondContact O-N 3.28Å; F26-E29 PolarHBondContact O-N 3.4Å
30R90.6Very high87Confident151 Ų15158.6 Ų58.657%0.5729%0.292SS*.Hα-helixtrans-75.7-38.2-175.7-174.4164.3167.390.32.9113.3F26 L27 S28 E182F26-R30 WeakPolarHBondContact O-CB 3.48Å; F26-R30 PolarHBondContact O-N 3.14Å; L27-R30 PolarHBondContact O-N 3.35Å; S28-R30 VanDerWaalsContact C-N 3.33Å; S28-R30 PolarHBondContact O-N 3.46Å; R30-E182 IonicContact CZ-OE1 3.79Å; R30-E182 IonicContact CZ-OE2 3.08Å; R30-E182 VanDerWaalsContact NE-CD 3.27Å; R30-E182 IonicContact NE-OE1 2.67Å; R30-E182 PolarHBondContact NE-OE1 2.75Å; R30-E182 IonicContact NE-OE2 3.38Å; R30-E182 PolarHBondContact NE-OE2 3.22Å; R30-E182 VanDerWaalsContact NH2-CD 3.32Å; R30-E182 IonicContact NH2-OE1 3.32Å; R30-E182 PolarHBondContact NH2-OE1 2.71Å; R30-E182 IonicContact NH2-OE2 2.8Å; R30-E182 PolarHBondContact NH2-OE2 3.46Å
31L91.2Very high89Confident47 Ų4750.8 Ų50.825%0.24626%0.264CS..Hα-helixtrans-94.2-13.7-177.8-59172.8000113L27 W33 I185L27-L31 HydrophobicContact CB-CD1 4.35Å; L27-L31 HydrophobicContact CD2-CD1 4.22Å; L27-L31 VanDerWaalsContact O-CB 3.26Å; L27-L31 WeakPolarHBondContact O-CB 3.32Å; L27-L31 VanDerWaalsContact O-CG 3.31Å; L27-L31 WeakPolarHBondContact O-CG 3.15Å; L27-L31 PolarHBondContact O-N 3.5Å; L31-W33 HydrophobicContact CB-CB 4.39Å; L31-W33 HydrophobicContact CB-CD2 3.77Å; L31-W33 HydrophobicContact CB-CE3 4.34Å; L31-W33 HydrophobicContact CB-CG 3.77Å; L31-W33 HydrophobicContact CD1-CD2 3.9Å; L31-W33 HydrophobicContact CD1-CE3 3.62Å; L31-W33 HydrophobicContact CD1-CH2 3.96Å; L31-W33 HydrophobicContact CD1-CZ2 4.2Å; L31-W33 HydrophobicContact CD1-CZ3 3.64Å; L31-W33 HydrophobicContact CG-CD2 4.47Å; L31-W33 PolarHBondContact O-N 3.32Å; L31-I185 HydrophobicContact CD1-CD1 3.85Å
32G92.2Very high90.8Very high57 Ų5747.7 Ų47.759%0.58824%0.244SC*.THydrogen-bonded Turntrans69.722.5-173.700000113.2S28S28-G32 WeakPolarHBondContact O-CA 2.95Å; S28-G32 PolarHBondContact O-N 2.97Å
33W93.4Very high91.7Very high29 Ų2948.1 Ų48.111%0.1125%0.246CC..  trans-92.5138.8-178-66.4-0.4000110.8Y7 S28 L31 F35 D83 L85 I185Y7-W33 HydrophobicContact CD2-CE3 4.2Å; Y7-W33 HydrophobicContact CD2-CH2 4.02Å; Y7-W33 AromaticContact CD2-CZ3 3.36Å; Y7-W33 HydrophobicContact CD2-CZ3 3.36Å; Y7-W33 AromaticContact CE2-CH2 3.54Å; Y7-W33 HydrophobicContact CE2-CH2 3.54Å; Y7-W33 AromaticContact CE2-CZ3 3.4Å; Y7-W33 HydrophobicContact CE2-CZ3 3.4Å; Y7-W33 VanDerWaalsContact CE2-CZ3 3.4Å; Y7-W33 HydrophobicContact CG-CZ3 4.26Å; S28-W33 WeakPolarHBondContact CB-O 3.26Å; S28-W33 PolarHBondContact O-N 3.28Å; S28-W33 PolarHBondContact OG-O 3.19Å; L31-W33 HydrophobicContact CB-CB 4.39Å; L31-W33 HydrophobicContact CB-CD2 3.77Å; L31-W33 HydrophobicContact CB-CE3 4.34Å; L31-W33 HydrophobicContact CB-CG 3.77Å; L31-W33 HydrophobicContact CD1-CD2 3.9Å; L31-W33 HydrophobicContact CD1-CE3 3.62Å; L31-W33 HydrophobicContact CD1-CH2 3.96Å; L31-W33 HydrophobicContact CD1-CZ2 4.2Å; L31-W33 HydrophobicContact CD1-CZ3 3.64Å; L31-W33 HydrophobicContact CG-CD2 4.47Å; L31-W33 PolarHBondContact O-N 3.32Å; W33-F35 PolarHBondContact O-N 2.86Å; W33-D83 VanDerWaalsContact CB-O 3.29Å; W33-D83 WeakPolarHBondContact CB-O 3.5Å; W33-D83 HydrophobicContact CD2-CB 3.73Å; W33-D83 HydrophobicContact CE3-CB 3.84Å; W33-D83 HydrophobicContact CG-CB 4.42Å; W33-D83 VanDerWaalsContact CG-O 3.29Å; W33-D83 HydrophobicContact CH2-CB 3.81Å; W33-D83 WeakPolarHBondContact CH2-OD2 3.47Å; W33-D83 HydrophobicContact CZ2-CB 3.71Å; W33-D83 VanDerWaalsContact CZ2-OD2 3.26Å; W33-D83 WeakPolarHBondContact CZ2-OD2 3.49Å; W33-D83 HydrophobicContact CZ3-CB 3.89Å; W33-L85 HydrophobicContact CE3-CD2 4.46Å; W33-L85 HydrophobicContact CE3-CG 4.29Å; W33-I185 HydrophobicContact CH2-CD1 3.55Å; W33-I185 HydrophobicContact CH2-CG1 4.04Å; W33-I185 HydrophobicContact CH2-CG2 4.16Å; W33-I185 HydrophobicContact CZ2-CD1 4.46Å; W33-I185 HydrophobicContact CZ2-CG2 4.45Å; W33-I185 HydrophobicContact CZ3-CD1 3.92Å
34P93.4Very high92.2Very high45 Ų4552.9 Ų52.929%0.29227%0.269SS..  trans-59.914017225.6-34.1000111Y36 S82 D83 A84 L85P34-Y36 HydrophobicContact CB-CE2 4.33Å; P34-Y36 HydrophobicContact CG-CE2 4.39Å; P34-S82 WeakPolarHBondContact CD-OG 3.43Å; P34-D83 WeakPolarHBondContact CD-O 3.37Å; P34-A84 HydrophobicContact CG-CB 3.96Å; P34-L85 PolarHBondContact O-N 2.57Å
35F93.5Very high92.6Very high49 Ų4959.1 Ų59.122%0.21530%0.298CS..EExtended strand (participates in β ladder)trans-114.1121.5175.6176.5-129.9000110.7W33 L85 A87W33-F35 PolarHBondContact O-N 2.86Å; F35-L85 WeakPolarHBondContact CA-O 3.49Å; F35-L85 HydrophobicContact CB-CB 4.38Å; F35-L85 HydrophobicContact CD2-CB 3.63Å; F35-L85 HydrophobicContact CE2-CB 4.44Å; F35-L85 HydrophobicContact CG-CB 4.44Å; F35-A87 HydrophobicContact CE2-CB 3.73Å; F35-A87 HydrophobicContact CZ-CB 3.72Å
36Y94.4Very high92.9Very high42 Ų4258 Ų5817%0.16529%0.29CS..EExtended strand (participates in β ladder)trans-98.9124.4176.3-59.7-80.8000109.8P34 V71 H75 R78 A84 L85 L86 A87P34-Y36 HydrophobicContact CB-CE2 4.33Å; P34-Y36 HydrophobicContact CG-CE2 4.39Å; Y36-V71 HydrophobicContact CD1-CG1 3.83Å; Y36-V71 HydrophobicContact CD2-CG1 4.28Å; Y36-V71 HydrophobicContact CE1-CG1 4.08Å; Y36-V71 HydrophobicContact CG-CG1 3.93Å; Y36-H75 AromaticContact CE2-ND1 3.77Å; Y36-H75 AromaticContact CZ-ND1 3.86Å; Y36-H75 PolarHBondContact OH-ND1 3.17Å; Y36-R78 PolarHBondContact OH-NH1 2.94Å; Y36-A84 HydrophobicContact CD2-CB 4.13Å; Y36-A84 HydrophobicContact CE2-CB 3.72Å; Y36-L85 WeakPolarHBondContact CD2-O 3.47Å; Y36-L85 PolarHBondContact N-O 3.48Å; Y36-L86 WeakPolarHBondContact O-CA 3.41Å; Y36-A87 PolarHBondContact O-N 3.1Å
37E91.8Very high93Very high40 Ų4058.7 Ų58.719%0.18730%0.296CS..EExtended strand (participates in β ladder)trans-86.5107.9175.1-178.859-101.800109.7E18 D39 N40 F41E18-E37 VanDerWaalsContact CB-CD 3.41Å; E18-E37 VanDerWaalsContact CB-OE1 3.29Å; E18-E37 WeakPolarHBondContact CB-OE1 3.08Å; E18-E37 WeakPolarHBondContact CB-OE2 3.33Å; E18-E37 WeakPolarHBondContact CG-OE1 3.35Å; E37-D39 VanDerWaalsContact C-N 3.28Å; E37-D39 PolarHBondContact O-N 3.14Å; E37-N40 WeakPolarHBondContact CB-ND2 3.41Å; E37-N40 WeakPolarHBondContact O-CB 3.14Å; E37-N40 PolarHBondContact O-N 2.89Å; E37-F41 VanDerWaalsContact O-CD2 3.25Å; E37-F41 WeakPolarHBondContact O-CD2 3.33Å; E37-F41 WeakPolarHBondContact O-CE2 3.48Å
38G92.1Very high93Very high0 Ų063 Ų630%032%0.316CS..G310 helixtrans-64.5-32.1-172.400000113.7N40 F41 W64 A87G38-N40 PolarHBondContact O-N 2.91Å; G38-F41 PolarHBondContact O-N 3.33Å; G38-W64 PolarHBondContact O-NE1 3.29Å; G38-A87 WeakPolarHBondContact CA-O 3.48Å; G38-A87 PolarHBondContact N-O 3.49Å
39D90.8Very high93Very high70 Ų7063.8 Ų63.837%0.37432%0.316SS..G310 helixtrans-63.5-26.2179.2-78.3-2.1000112.1E37 F41 H42E37-D39 VanDerWaalsContact C-N 3.28Å; E37-D39 PolarHBondContact O-N 3.14Å; D39-F41 PolarHBondContact O-N 3.47Å; D39-H42 PolarHBondContact O-N 3.49Å
40N92.6Very high92.9Very high128 Ų12859.9 Ų59.968%0.68430%0.299SS*.G310 helixtrans-67.7-13.1176.2-68.7-14.4000113.4E37 G38E37-N40 WeakPolarHBondContact CB-ND2 3.41Å; E37-N40 WeakPolarHBondContact O-CB 3.14Å; E37-N40 PolarHBondContact O-N 2.89Å; G38-N40 PolarHBondContact O-N 2.91Å
41F95Very high92.7Very high59 Ų5956.5 Ų56.526%0.25930%0.304SS..G310 helixtrans-97.8-1.8-179.2-62.9-88.4000113.1E37 G38 D39 R67 L68 V71E37-F41 VanDerWaalsContact O-CD2 3.25Å; E37-F41 WeakPolarHBondContact O-CD2 3.33Å; E37-F41 WeakPolarHBondContact O-CE2 3.48Å; G38-F41 PolarHBondContact O-N 3.33Å; D39-F41 PolarHBondContact O-N 3.47Å; F41-R67 WeakPolarHBondContact O-CD 3.33Å; F41-R67 PolarHBondContact O-NH1 3.36Å; F41-L68 HydrophobicContact CB-CD2 3.76Å; F41-L68 HydrophobicContact CD2-CD2 3.54Å; F41-L68 HydrophobicContact CE2-CD2 4.31Å; F41-L68 HydrophobicContact CG-CD2 3.71Å; F41-V71 HydrophobicContact CD1-CG2 3.89Å; F41-V71 HydrophobicContact CE1-CG2 3.37Å; F41-V71 HydrophobicContact CE2-CG2 4.39Å; F41-V71 HydrophobicContact CZ-CG1 4.49Å; F41-V71 HydrophobicContact CZ-CG2 3.66Å
42H94.8Very high92.6Very high15 Ų1560.6 Ų60.67%0.06932%0.316CS..SBendtrans-59.7140175.9-91.9-56000111.3D39 N46 I47 W64D39-H42 PolarHBondContact O-N 3.49Å; H42-N46 HydrophobicContact CB-CB 4.24Å; H42-N46 PolarHBondContact ND1-ND2 3.34Å; H42-N46 VanDerWaalsContact ND1-ND2 3.14Å; H42-I47 HydrophobicContact CB-CD1 4.36Å; H42-I47 HydrophobicContact CB-CG1 3.89Å; H42-W64 AromaticContact CE1-CD1 3.93Å; H42-W64 AromaticContact CE1-CD2 3.24Å; H42-W64 AromaticContact CE1-CE2 3.62Å; H42-W64 AromaticContact CE1-CE3 3.56Å; H42-W64 AromaticContact CE1-CG 3.46Å; H42-W64 VanDerWaalsContact CE1-CG 3.46Å; H42-W64 AromaticContact CE1-NE1 3.97Å; H42-W64 AromaticContact CG-CD1 3.89Å; H42-W64 AromaticContact ND1-CD1 3.65Å; H42-W64 AromaticContact ND1-CD2 3.69Å; H42-W64 AromaticContact ND1-CG 3.35Å; H42-W64 AromaticContact NE2-CD2 3.79Å; H42-W64 AromaticContact NE2-CE2 3.66Å; H42-W64 AromaticContact NE2-CZ2 3.96Å; H42-W64 AromaticContact NE2-NE1 3.98Å
43P95.6Very high92.2Very high13 Ų1358.8 Ų58.88%0.08430%0.297CS..  trans-65.9153.9166.532.3-35.7000109.8E45 N46 I47P43-E45 WeakPolarHBondContact CB-OE2 3.34Å; P43-E45 PolarHBondContact O-N 2.9Å; P43-N46 HydrophobicContact CG-CB 4.03Å; P43-N46 WeakPolarHBondContact O-CB 3.45Å; P43-N46 PolarHBondContact O-N 3.5Å; P43-I47 PolarHBondContact O-N 2.89Å
44Q95.1Very high91.9Very high106 Ų10661 Ų6150%0.49531%0.309SS..Hα-helixtrans-57.3-37.2-174.2-179.659.932.300111.7N46 I47 E48Q44-N46 VanDerWaalsContact C-N 3.29Å; Q44-N46 PolarHBondContact O-N 2.85Å; Q44-I47 WeakPolarHBondContact O-CB 3.27Å; Q44-I47 PolarHBondContact O-N 3.3Å; Q44-I47 VanDerWaalsContact O-N 3.14Å; Q44-E48 WeakPolarHBondContact CG-OE1 3.38Å; Q44-E48 PolarHBondContact NE2-OE1 3.01Å; Q44-E48 WeakPolarHBondContact O-CG 3.22Å; Q44-E48 PolarHBondContact O-N 3.45Å
45E95.6Very high91.8Very high130 Ų13062.1 Ų62.161%0.60732%0.316SS*.Hα-helixtrans-60.2-37.9178.3-60.380.5-179.400112P43 K49P43-E45 WeakPolarHBondContact CB-OE2 3.34Å; P43-E45 PolarHBondContact O-N 2.9Å; E45-K49 VanDerWaalsContact O-CB 3.27Å; E45-K49 WeakPolarHBondContact O-CB 3.16Å; E45-K49 PolarHBondContact O-N 2.83Å
46N94.2Very high91.7Very high6 Ų660.4 Ų60.43%0.03231%0.309CS..Hα-helixtrans-69.7-41.7176.7-72.812.1000111.2H42 P43 Q44 E48 K49 M50 L56 D60H42-N46 HydrophobicContact CB-CB 4.24Å; H42-N46 PolarHBondContact ND1-ND2 3.34Å; H42-N46 VanDerWaalsContact ND1-ND2 3.14Å; P43-N46 HydrophobicContact CG-CB 4.03Å; P43-N46 WeakPolarHBondContact O-CB 3.45Å; P43-N46 PolarHBondContact O-N 3.5Å; Q44-N46 VanDerWaalsContact C-N 3.29Å; Q44-N46 PolarHBondContact O-N 2.85Å; N46-E48 VanDerWaalsContact C-N 3.32Å; N46-K49 PolarHBondContact O-N 3.46Å; N46-M50 WeakPolarHBondContact O-CB 3.42Å; N46-M50 WeakPolarHBondContact O-CG 3.24Å; N46-M50 PolarHBondContact O-N 2.91Å; N46-L56 HydrophobicContact CB-CD1 3.96Å; N46-L56 HydrophobicContact CB-CD2 3.86Å; N46-D60 PolarHBondContact ND2-O 3.46Å; N46-D60 PolarHBondContact OD1-O 3.04Å
47I90.9Very high91.7Very high75 Ų7561.5 Ų61.539%0.38532%0.32SS..Hα-helixtrans-60.6-47178-62.2173.2000109.4H42 P43 Q44 M50 A51H42-I47 HydrophobicContact CB-CD1 4.36Å; H42-I47 HydrophobicContact CB-CG1 3.89Å; P43-I47 PolarHBondContact O-N 2.89Å; Q44-I47 WeakPolarHBondContact O-CB 3.27Å; Q44-I47 PolarHBondContact O-N 3.3Å; Q44-I47 VanDerWaalsContact O-N 3.14Å; I47-M50 PolarHBondContact O-N 3.36Å; I47-A51 VanDerWaalsContact O-CB 3.28Å; I47-A51 WeakPolarHBondContact O-CB 3.48Å; I47-A51 PolarHBondContact O-N 3.24Å
48E92.9Very high91.8Very high91 Ų9163.1 Ų63.143%0.42533%0.33SS..Hα-helixtrans-63.6-41.7178-71.7172.7-17200112.5Q44 N46 A51 R52Q44-E48 WeakPolarHBondContact CG-OE1 3.38Å; Q44-E48 PolarHBondContact NE2-OE1 3.01Å; Q44-E48 WeakPolarHBondContact O-CG 3.22Å; Q44-E48 PolarHBondContact O-N 3.45Å; N46-E48 VanDerWaalsContact C-N 3.32Å; E48-A51 PolarHBondContact O-N 2.98Å; E48-R52 WeakPolarHBondContact O-CG 3.26Å; E48-R52 PolarHBondContact O-N 3.4Å; E48-R52 PolarHBondContact O-NH1 2.67Å
49K91.9Very high92Very high42 Ų4270.8 Ų70.818%0.18337%0.366CS..Hα-helixtrans-61.6-48.9176.5-171.1165.9-176.9177.60111.7E45 N46 A51 R52 E54 P55 L56 D60E45-K49 VanDerWaalsContact O-CB 3.27Å; E45-K49 WeakPolarHBondContact O-CB 3.16Å; E45-K49 PolarHBondContact O-N 2.83Å; N46-K49 PolarHBondContact O-N 3.46Å; K49-A51 VanDerWaalsContact C-N 3.32Å; K49-A51 PolarHBondContact O-N 3.36Å; K49-R52 PolarHBondContact O-N 2.99Å; K49-E54 HydrophobicContact CG-CB 3.63Å; K49-E54 WeakPolarHBondContact O-CB 3.27Å; K49-E54 PolarHBondContact O-N 3.48Å; K49-E54 VanDerWaalsContact O-N 3.12Å; K49-P55 WeakPolarHBondContact CE-O 3.29Å; K49-L56 HydrophobicContact CB-CD2 4.02Å; K49-L56 HydrophobicContact CD-CD2 3.94Å; K49-L56 HydrophobicContact CG-CD2 4.1Å; K49-D60 IonicContact NZ-OD1 2.78Å; K49-D60 IonicContact NZ-OD2 2.81Å; K49-D60 PolarHBondContact NZ-OD2 3.3Å
50M88.1Confident92.3Very high62 Ų6269.3 Ų69.331%0.30536%0.358SS..Hα-helixtrans-64.9-34.9175.8-68.7-173-65.700112.6N46 I47 R52 G53 L56N46-M50 WeakPolarHBondContact O-CB 3.42Å; N46-M50 WeakPolarHBondContact O-CG 3.24Å; N46-M50 PolarHBondContact O-N 2.91Å; I47-M50 PolarHBondContact O-N 3.36Å; M50-R52 PolarHBondContact O-N 2.79Å; M50-G53 WeakPolarHBondContact O-CA 3.43Å; M50-G53 PolarHBondContact O-N 3.4Å; M50-L56 HydrophobicContact CE-CD1 4.24Å; M50-L56 HydrophobicContact CG-CD1 4.16Å; M50-L56 HydrophobicContact CG-CD2 3.92Å; M50-L56 HydrophobicContact CG-CG 3.82Å; M50-L56 HydrophobicContact SD-CD1 3.79Å; M50-L56 HydrophobicContact SD-CG 4.07Å
51A86.7Confident92.5Very high81 Ų8163.9 Ų63.967%0.66933%0.328SS*.Hα-helixtrans-64-27176.200000112.8I47 E48 K49 G53I47-A51 VanDerWaalsContact O-CB 3.28Å; I47-A51 WeakPolarHBondContact O-CB 3.48Å; I47-A51 PolarHBondContact O-N 3.24Å; E48-A51 PolarHBondContact O-N 2.98Å; K49-A51 VanDerWaalsContact C-N 3.32Å; K49-A51 PolarHBondContact O-N 3.36Å; A51-G53 VanDerWaalsContact C-N 3.27Å
52R88.9Confident92.5Very high132 Ų13263.8 Ų63.850%0.49833%0.33SS..THydrogen-bonded Turntrans-82.20.5170.8-64.2-171.5-54.4-87.4-0.9113.8E48 K49 M50 E54E48-R52 WeakPolarHBondContact O-CG 3.26Å; E48-R52 PolarHBondContact O-N 3.4Å; E48-R52 PolarHBondContact O-NH1 2.67Å; K49-R52 PolarHBondContact O-N 2.99Å; M50-R52 PolarHBondContact O-N 2.79Å; R52-E54 VanDerWaalsContact C-N 3.26Å; R52-E54 HydrophobicContact CB-CG 4.26Å; R52-E54 IonicContact CZ-OE1 3.61Å; R52-E54 IonicContact CZ-OE2 3.67Å; R52-E54 IonicContact NE-OE1 3.66Å; R52-E54 PolarHBondContact NE-OE1 3.33Å; R52-E54 IonicContact NE-OE2 3.8Å; R52-E54 IonicContact NH2-OE1 3.57Å; R52-E54 IonicContact NH2-OE2 2.89Å; R52-E54 PolarHBondContact NH2-OE2 3.2Å; R52-E54 PolarHBondContact O-N 2.84Å
53G84.5Confident92.7Very high20 Ų2066 Ų6621%0.20635%0.345CS..THydrogen-bonded Turntrans77.110.2-175.800000114M50 A51M50-G53 WeakPolarHBondContact O-CA 3.43Å; M50-G53 PolarHBondContact O-N 3.4Å; A51-G53 VanDerWaalsContact C-N 3.27Å
54E88.3Confident92.8Very high76 Ų7665.4 Ų65.436%0.35534%0.342SS..PPolyproline II helixtrans-84.5128.7179.5-66.2163.6-151.500109.7K49 R52K49-E54 HydrophobicContact CG-CB 3.63Å; K49-E54 WeakPolarHBondContact O-CB 3.27Å; K49-E54 PolarHBondContact O-N 3.48Å; K49-E54 VanDerWaalsContact O-N 3.12Å; R52-E54 VanDerWaalsContact C-N 3.26Å; R52-E54 HydrophobicContact CB-CG 4.26Å; R52-E54 IonicContact CZ-OE1 3.61Å; R52-E54 IonicContact CZ-OE2 3.67Å; R52-E54 IonicContact NE-OE1 3.66Å; R52-E54 PolarHBondContact NE-OE1 3.33Å; R52-E54 IonicContact NE-OE2 3.8Å; R52-E54 IonicContact NH2-OE1 3.57Å; R52-E54 IonicContact NH2-OE2 2.89Å; R52-E54 PolarHBondContact NH2-OE2 3.2Å; R52-E54 PolarHBondContact O-N 2.84Å
55P89.6Confident92.9Very high68 Ų6860.4 Ų60.444%0.44232%0.318SS..PPolyproline II helixtrans-68.2142.4176.728-33.7000110.9K49 L148K49-P55 WeakPolarHBondContact CE-O 3.29Å; P55-L148 HydrophobicContact CB-CD2 4.3Å
56L91.9Very high93Very high13 Ų1356.4 Ų56.47%0.06830%0.301CS..PPolyproline II helixtrans-69.6148.1171.4-58.3-177.4000110.4N46 K49 M50 D60 R61N46-L56 HydrophobicContact CB-CD1 3.96Å; N46-L56 HydrophobicContact CB-CD2 3.86Å; K49-L56 HydrophobicContact CB-CD2 4.02Å; K49-L56 HydrophobicContact CD-CD2 3.94Å; K49-L56 HydrophobicContact CG-CD2 4.1Å; M50-L56 HydrophobicContact CE-CD1 4.24Å; M50-L56 HydrophobicContact CG-CD1 4.16Å; M50-L56 HydrophobicContact CG-CD2 3.92Å; M50-L56 HydrophobicContact CG-CG 3.82Å; M50-L56 HydrophobicContact SD-CD1 3.79Å; M50-L56 HydrophobicContact SD-CG 4.07Å; L56-D60 HydrophobicContact CB-CB 3.99Å; L56-D60 HydrophobicContact CD2-CB 4.06Å; L56-D60 HydrophobicContact CG-CB 4.49Å; L56-R61 VanDerWaalsContact C-NH1 3.28Å; L56-R61 HydrophobicContact CB-CG 4.08Å; L56-R61 HydrophobicContact CD1-CG 4.23Å; L56-R61 VanDerWaalsContact O-CZ 3.3Å; L56-R61 PolarHBondContact O-NH1 3.13Å; L56-R61 PolarHBondContact O-NH2 3.36Å
57T94.3Very high93.2Very high65 Ų6561.3 Ų61.340%0.39932%0.319SS..  trans-92.6175.1170.966.10000110.9Q59 D60 R61T57-Q59 VanDerWaalsContact C-N 3.27Å; T57-Q59 PolarHBondContact O-N 3.2Å; T57-Q59 PolarHBondContact OG1-N 3.17Å; T57-D60 WeakPolarHBondContact CB-OD2 3.49Å; T57-D60 PolarHBondContact N-OD2 3.36Å; T57-D60 PolarHBondContact O-N 3.21Å; T57-D60 PolarHBondContact OG1-N 2.87Å; T57-D60 PolarHBondContact OG1-OD2 3.42Å; T57-R61 WeakPolarHBondContact O-CG 3.29Å; T57-R61 PolarHBondContact O-N 2.82Å; T57-R61 VanDerWaalsContact O-N 3.11Å; T57-R61 PolarHBondContact O-NH1 2.93Å
58D95.1Very high93.4Very high73 Ų7357.8 Ų57.839%0.3930%0.301SS..Hα-helixtrans-61.7-38.4172.8-68-23.2000111.7R61 L62 K92 Y95D58-R61 PolarHBondContact O-N 3.5Å; D58-L62 PolarHBondContact O-N 2.78Å; D58-K92 IonicContact OD1-NZ 3.6Å; D58-K92 PolarHBondContact OD1-NZ 3.14Å; D58-K92 IonicContact OD2-NZ 3.59Å; D58-K92 PolarHBondContact OD2-NZ 3.26Å; D58-Y95 WeakPolarHBondContact OD1-CE1 3.43Å; D58-Y95 VanDerWaalsContact OD1-CZ 3.31Å; D58-Y95 PolarHBondContact OD1-OH 3.45Å
59Q95.9Very high93.6Very high162 Ų16254.9 Ų54.976%0.75729%0.287SS*.Hα-helixtrans-66.7-38.1178.5-171.3164.131.600112T57 R61 P63T57-Q59 VanDerWaalsContact C-N 3.27Å; T57-Q59 PolarHBondContact O-N 3.2Å; T57-Q59 PolarHBondContact OG1-N 3.17Å; Q59-R61 VanDerWaalsContact C-N 3.34Å; Q59-P63 VanDerWaalsContact O-CD 3.23Å; Q59-P63 WeakPolarHBondContact O-CD 3.37Å
60D96Very high93.8Very high38 Ų3857 Ų5720%0.20330%0.298CS..Hα-helixtrans-65.4-38.7174.5-58.3-43000111.2N46 K49 L56 T57N46-D60 PolarHBondContact ND2-O 3.46Å; N46-D60 PolarHBondContact OD1-O 3.04Å; K49-D60 IonicContact NZ-OD1 2.78Å; K49-D60 IonicContact NZ-OD2 2.81Å; K49-D60 PolarHBondContact NZ-OD2 3.3Å; L56-D60 HydrophobicContact CB-CB 3.99Å; L56-D60 HydrophobicContact CD2-CB 4.06Å; L56-D60 HydrophobicContact CG-CB 4.49Å; T57-D60 WeakPolarHBondContact CB-OD2 3.49Å; T57-D60 PolarHBondContact N-OD2 3.36Å; T57-D60 PolarHBondContact O-N 3.21Å; T57-D60 PolarHBondContact OG1-N 2.87Å; T57-D60 PolarHBondContact OG1-OD2 3.42Å
61R96.6Very high94.1Very high14 Ų1454.6 Ų54.65%0.05329%0.286CS..Hα-helixtrans-77.1-28.1-177.2-72.4-173.3-172.782.54.6113.7L56 T57 D58 Q59 W64 L65 Y95L56-R61 VanDerWaalsContact C-NH1 3.28Å; L56-R61 HydrophobicContact CB-CG 4.08Å; L56-R61 HydrophobicContact CD1-CG 4.23Å; L56-R61 VanDerWaalsContact O-CZ 3.3Å; L56-R61 PolarHBondContact O-NH1 3.13Å; L56-R61 PolarHBondContact O-NH2 3.36Å; T57-R61 WeakPolarHBondContact O-CG 3.29Å; T57-R61 PolarHBondContact O-N 2.82Å; T57-R61 VanDerWaalsContact O-N 3.11Å; T57-R61 PolarHBondContact O-NH1 2.93Å; D58-R61 PolarHBondContact O-N 3.5Å; Q59-R61 VanDerWaalsContact C-N 3.34Å; R61-W64 HydrophobicContact CB-CE3 4.15Å; R61-W64 HydrophobicContact CG-CE3 4.18Å; R61-W64 HydrophobicContact CG-CZ3 4.35Å; R61-W64 WeakPolarHBondContact O-CB 3.17Å; R61-W64 PolarHBondContact O-N 3.49Å; R61-W64 VanDerWaalsContact O-N 3.14Å; R61-L65 HydrophobicContact CB-CD1 4.16Å; R61-L65 WeakPolarHBondContact O-CG 3.41Å; R61-L65 PolarHBondContact O-N 3.27Å; R61-Y95 PolarHBondContact NH1-OH 3.27Å
62L96.8Very high94.5Very high57 Ų5750.8 Ų50.830%0.29826%0.255SS..Hα-helixtrans-55.8-50.8-174175.465.3000113.5D58 W64 L65 L66 I98 V106D58-L62 PolarHBondContact O-N 2.78Å; L62-W64 VanDerWaalsContact C-N 3.26Å; L62-W64 PolarHBondContact O-N 2.88Å; L62-L65 PolarHBondContact O-N 3.04Å; L62-L66 HydrophobicContact CD1-CD1 4.05Å; L62-L66 HydrophobicContact CD1-CG 4.09Å; L62-L66 HydrophobicContact CG-CD1 4.14Å; L62-L66 WeakPolarHBondContact O-CG 3.25Å; L62-L66 PolarHBondContact O-N 2.84Å; L62-I98 HydrophobicContact CD1-CD1 3.83Å; L62-V106 HydrophobicContact CD1-CG1 4.33Å; L62-V106 HydrophobicContact CD1-CG2 4.47Å
63P97.1Very high94.6Very high61 Ų6147.1 Ų47.140%0.39624%0.244SC..Hα-helixtrans-60.4-35.9177.9-23.633.9000113.2Q59 R67Q59-P63 VanDerWaalsContact O-CD 3.23Å; Q59-P63 WeakPolarHBondContact O-CD 3.37Å; P63-R67 WeakPolarHBondContact O-CG 3.31Å; P63-R67 PolarHBondContact O-N 2.62Å; P63-R67 VanDerWaalsContact O-N 3.14Å
64W97.8Very high95Very high1 Ų152.5 Ų52.50%0.00426%0.257CS..Hα-helixtrans-66.9-47.3176.8164.761.3000111.8G38 H42 R61 L62 L66 R67 L68 C88G38-W64 PolarHBondContact O-NE1 3.29Å; H42-W64 AromaticContact CE1-CD1 3.93Å; H42-W64 AromaticContact CE1-CD2 3.24Å; H42-W64 AromaticContact CE1-CE2 3.62Å; H42-W64 AromaticContact CE1-CE3 3.56Å; H42-W64 AromaticContact CE1-CG 3.46Å; H42-W64 VanDerWaalsContact CE1-CG 3.46Å; H42-W64 AromaticContact CE1-NE1 3.97Å; H42-W64 AromaticContact CG-CD1 3.89Å; H42-W64 AromaticContact ND1-CD1 3.65Å; H42-W64 AromaticContact ND1-CD2 3.69Å; H42-W64 AromaticContact ND1-CG 3.35Å; H42-W64 AromaticContact NE2-CD2 3.79Å; H42-W64 AromaticContact NE2-CE2 3.66Å; H42-W64 AromaticContact NE2-CZ2 3.96Å; H42-W64 AromaticContact NE2-NE1 3.98Å; R61-W64 HydrophobicContact CB-CE3 4.15Å; R61-W64 HydrophobicContact CG-CE3 4.18Å; R61-W64 HydrophobicContact CG-CZ3 4.35Å; R61-W64 WeakPolarHBondContact O-CB 3.17Å; R61-W64 PolarHBondContact O-N 3.49Å; R61-W64 VanDerWaalsContact O-N 3.14Å; L62-W64 VanDerWaalsContact C-N 3.26Å; L62-W64 PolarHBondContact O-N 2.88Å; W64-L66 VanDerWaalsContact C-N 3.32Å; W64-L66 PolarHBondContact O-N 3.45Å; W64-R67 WeakPolarHBondContact O-CB 3.42Å; W64-R67 PolarHBondContact O-N 2.81Å; W64-L68 HydrophobicContact CD2-CD1 4.32Å; W64-L68 HydrophobicContact CH2-CD1 4.47Å; W64-L68 HydrophobicContact CZ2-CD1 3.7Å; W64-L68 WeakPolarHBondContact O-CG 3.4Å; W64-L68 PolarHBondContact O-N 2.84Å; W64-C88 VanDerWaalsContact CH2-SG 3.53Å
65L98.1Very high95.1Very high1 Ų149.1 Ų49.11%0.00524%0.242CC..Hα-helixtrans-62.8-38.4178.2-68.2167000112.1R61 L62 L68 H69 Y95 I98 L99R61-L65 HydrophobicContact CB-CD1 4.16Å; R61-L65 WeakPolarHBondContact O-CG 3.41Å; R61-L65 PolarHBondContact O-N 3.27Å; L62-L65 PolarHBondContact O-N 3.04Å; L65-L68 PolarHBondContact O-N 3.11Å; L65-H69 PolarHBondContact O-N 3.13Å; L65-Y95 HydrophobicContact CD1-CD1 3.57Å; L65-Y95 HydrophobicContact CD1-CD2 4.43Å; L65-Y95 HydrophobicContact CD1-CE1 4.31Å; L65-Y95 HydrophobicContact CD1-CG 3.66Å; L65-I98 HydrophobicContact CB-CB 4.3Å; L65-I98 HydrophobicContact CB-CG2 3.62Å; L65-I98 HydrophobicContact CD1-CD1 3.96Å; L65-L99 HydrophobicContact CD2-CD2 4.24Å; L65-L99 HydrophobicContact CD2-CG 4.38Å
66L97.6Very high95.1Very high47 Ų4749.1 Ų49.125%0.24623%0.233CC..Hα-helixtrans-64.2-40.7174.8-69.4173.5000112L62 W64 L68 H69 E70 I98 A103L62-L66 HydrophobicContact CD1-CD1 4.05Å; L62-L66 HydrophobicContact CD1-CG 4.09Å; L62-L66 HydrophobicContact CG-CD1 4.14Å; L62-L66 WeakPolarHBondContact O-CG 3.25Å; L62-L66 PolarHBondContact O-N 2.84Å; W64-L66 VanDerWaalsContact C-N 3.32Å; W64-L66 PolarHBondContact O-N 3.45Å; L66-L68 VanDerWaalsContact C-N 3.31Å; L66-L68 PolarHBondContact O-N 2.76Å; L66-H69 WeakPolarHBondContact O-CB 3.46Å; L66-H69 PolarHBondContact O-N 2.88Å; L66-E70 WeakPolarHBondContact O-CG 3.36Å; L66-E70 PolarHBondContact O-N 2.86Å; L66-I98 HydrophobicContact CD2-CG2 3.91Å; L66-I98 HydrophobicContact CG-CG2 4.33Å; L66-A103 HydrophobicContact CD2-CB 4.07Å; L66-A103 VanDerWaalsContact CD2-N 3.34Å
67R97.4Very high94.9Very high109 Ų10955.4 Ų55.441%0.41126%0.262SS..Hα-helixtrans-61.5-40.2172.9-72.5175.2-173.6-177.30.7112F41 P63 W64 E70 V71F41-R67 WeakPolarHBondContact O-CD 3.33Å; F41-R67 PolarHBondContact O-NH1 3.36Å; P63-R67 WeakPolarHBondContact O-CG 3.31Å; P63-R67 PolarHBondContact O-N 2.62Å; P63-R67 VanDerWaalsContact O-N 3.14Å; W64-R67 WeakPolarHBondContact O-CB 3.42Å; W64-R67 PolarHBondContact O-N 2.81Å; R67-E70 WeakPolarHBondContact O-CB 3.27Å; R67-E70 PolarHBondContact O-N 2.82Å; R67-V71 WeakPolarHBondContact O-CG2 3.39Å; R67-V71 PolarHBondContact O-N 3.35Å
68L97.1Very high94.4Very high0 Ų058.8 Ų58.80%027%0.267CS..Hα-helixtrans-66-39176.1-67.2-174.7000112.2F41 W64 L65 L66 E70 V71 I72 L86 C88 L99F41-L68 HydrophobicContact CB-CD2 3.76Å; F41-L68 HydrophobicContact CD2-CD2 3.54Å; F41-L68 HydrophobicContact CE2-CD2 4.31Å; F41-L68 HydrophobicContact CG-CD2 3.71Å; W64-L68 HydrophobicContact CD2-CD1 4.32Å; W64-L68 HydrophobicContact CH2-CD1 4.47Å; W64-L68 HydrophobicContact CZ2-CD1 3.7Å; W64-L68 WeakPolarHBondContact O-CG 3.4Å; W64-L68 PolarHBondContact O-N 2.84Å; L65-L68 PolarHBondContact O-N 3.11Å; L66-L68 VanDerWaalsContact C-N 3.31Å; L66-L68 PolarHBondContact O-N 2.76Å; L68-E70 VanDerWaalsContact C-N 3.32Å; L68-E70 PolarHBondContact O-N 2.79Å; L68-V71 WeakPolarHBondContact O-CB 3.46Å; L68-V71 PolarHBondContact O-N 3.48Å; L68-V71 VanDerWaalsContact O-N 3.11Å; L68-I72 WeakPolarHBondContact O-CG1 3.38Å; L68-I72 PolarHBondContact O-N 2.89Å; L68-L86 HydrophobicContact CB-CD2 4.42Å; L68-L86 HydrophobicContact CD2-CD1 4.04Å; L68-C88 HydrophobicContact CD1-CB 3.98Å; L68-C88 VanDerWaalsContact CD1-SG 3.51Å; L68-L99 HydrophobicContact CB-CD2 3.55Å; L68-L99 HydrophobicContact CD1-CD2 4.2Å
69H96.4Very high92.8Very high31 Ų3161.5 Ų61.514%0.14429%0.292CS..Hα-helixtrans-58.5-43.4170.6175.370.6000111.5L65 L66 V71 I72 E73 L99 G102L65-H69 PolarHBondContact O-N 3.13Å; L66-H69 WeakPolarHBondContact O-CB 3.46Å; L66-H69 PolarHBondContact O-N 2.88Å; H69-V71 VanDerWaalsContact C-N 3.28Å; H69-V71 PolarHBondContact O-N 3Å; H69-I72 WeakPolarHBondContact O-CB 3.49Å; H69-I72 PolarHBondContact O-N 2.87Å; H69-I72 VanDerWaalsContact O-N 3.11Å; H69-E73 IonicContact CE1-OE1 2.74Å; H69-E73 PolarHBondContact O-N 3.37Å; H69-L99 PolarHBondContact ND1-O 3.01Å; H69-G102 WeakPolarHBondContact CD2-CA 3.17Å; H69-G102 PolarHBondContact CE1-N 3.19Å; H69-G102 PolarHBondContact ND1-N 3.07Å
70E95.8Very high91.3Very high85 Ų8558.9 Ų58.940%0.39729%0.292SS..Hα-helixtrans-63.6-31.9174.4-63.6173.7-169.500113.2L66 R67 L68 I72 R74L66-E70 WeakPolarHBondContact O-CG 3.36Å; L66-E70 PolarHBondContact O-N 2.86Å; R67-E70 WeakPolarHBondContact O-CB 3.27Å; R67-E70 PolarHBondContact O-N 2.82Å; L68-E70 VanDerWaalsContact C-N 3.32Å; L68-E70 PolarHBondContact O-N 2.79Å; E70-I72 VanDerWaalsContact C-N 3.34Å; E70-R74 VanDerWaalsContact CB-NH1 3.34Å; E70-R74 VanDerWaalsContact O-CB 3.28Å; E70-R74 WeakPolarHBondContact O-CB 3.49Å; E70-R74 WeakPolarHBondContact O-CG 3.2Å; E70-R74 PolarHBondContact O-N 3.03Å; E70-R74 IonicContact OE2-CZ 3.17Å; E70-R74 IonicContact OE2-NH1 3.67Å; E70-R74 PolarHBondContact OE2-NH1 2.79Å; E70-R74 IonicContact OE2-NH2 2.71Å; E70-R74 PolarHBondContact OE2-NH2 3.21Å
71V94.9Very high90.2Very high12 Ų1259.5 Ų59.57%0.07331%0.307CS..Hα-helixtrans-65.3-41.7173.3172.20000110.5Y36 F41 R67 L68 H69 H75Y36-V71 HydrophobicContact CD1-CG1 3.83Å; Y36-V71 HydrophobicContact CD2-CG1 4.28Å; Y36-V71 HydrophobicContact CE1-CG1 4.08Å; Y36-V71 HydrophobicContact CG-CG1 3.93Å; F41-V71 HydrophobicContact CD1-CG2 3.89Å; F41-V71 HydrophobicContact CE1-CG2 3.37Å; F41-V71 HydrophobicContact CE2-CG2 4.39Å; F41-V71 HydrophobicContact CZ-CG1 4.49Å; F41-V71 HydrophobicContact CZ-CG2 3.66Å; R67-V71 WeakPolarHBondContact O-CG2 3.39Å; R67-V71 PolarHBondContact O-N 3.35Å; L68-V71 WeakPolarHBondContact O-CB 3.46Å; L68-V71 PolarHBondContact O-N 3.48Å; L68-V71 VanDerWaalsContact O-N 3.11Å; H69-V71 VanDerWaalsContact C-N 3.28Å; H69-V71 PolarHBondContact O-N 3Å; V71-H75 WeakPolarHBondContact O-CB 3.27Å; V71-H75 PolarHBondContact O-N 2.79Å; V71-H75 VanDerWaalsContact O-N 3.07Å
72I93.7Very high89.8Confident2 Ų261.1 Ų61.11%0.0132%0.321CS..Hα-helixtrans-58.7-54.3175.5-70.7169.1000109.8I6 L68 H69 E70 R74 H75 R76 L86 L99 V120I6-I72 VanDerWaalsContact CD1-CA 3.46Å; I6-I72 HydrophobicContact CD1-CB 3.92Å; I6-I72 HydrophobicContact CD1-CG1 4.06Å; I6-I72 HydrophobicContact CD1-CG2 3.84Å; I6-I72 WeakPolarHBondContact CD1-O 3.29Å; I6-I72 HydrophobicContact CG2-CG1 4.24Å; L68-I72 WeakPolarHBondContact O-CG1 3.38Å; L68-I72 PolarHBondContact O-N 2.89Å; H69-I72 WeakPolarHBondContact O-CB 3.49Å; H69-I72 PolarHBondContact O-N 2.87Å; H69-I72 VanDerWaalsContact O-N 3.11Å; E70-I72 VanDerWaalsContact C-N 3.34Å; I72-R74 PolarHBondContact O-N 3.22Å; I72-H75 PolarHBondContact O-N 3.46Å; I72-R76 WeakPolarHBondContact O-CG 2.75Å; I72-R76 PolarHBondContact O-N 3.33Å; I72-R76 VanDerWaalsContact O-N 3.1Å; I72-L86 HydrophobicContact CD1-CD2 4.03Å; I72-L86 HydrophobicContact CG1-CD2 4.05Å; I72-L99 HydrophobicContact CD1-CB 4.07Å; I72-L99 HydrophobicContact CD1-CD2 4.26Å; I72-V120 HydrophobicContact CG2-CG2 3.77Å
73E92.9Very high89.6Confident55 Ų5560.1 Ų60.126%0.25732%0.316SS..Hα-helixtrans-61.1-48.3-179.4-65.7-54.49300112.2H69 H75 R76 E77H69-E73 IonicContact CE1-OE1 2.74Å; H69-E73 PolarHBondContact O-N 3.37Å; E73-H75 PolarHBondContact O-N 2.75Å; E73-R76 WeakPolarHBondContact O-CB 3.4Å; E73-R76 PolarHBondContact O-N 3.43Å; E73-R76 IonicContact OE1-CZ 2.96Å; E73-R76 IonicContact OE1-NH1 3.31Å; E73-R76 PolarHBondContact OE1-NH1 3.4Å; E73-R76 IonicContact OE2-NH1 2.67Å; E73-R76 PolarHBondContact OE2-NH1 2.93Å; E73-E77 WeakPolarHBondContact O-CG 3.42Å; E73-E77 PolarHBondContact O-N 2.83Å
74R92.1Very high89.5Confident132 Ų13257.2 Ų57.250%0.49830%0.297SS..Hα-helixtrans-60.7-31.1179.4-75.3178.3-168.8115.54113E70 I72 R78E70-R74 VanDerWaalsContact CB-NH1 3.34Å; E70-R74 VanDerWaalsContact O-CB 3.28Å; E70-R74 WeakPolarHBondContact O-CB 3.49Å; E70-R74 WeakPolarHBondContact O-CG 3.2Å; E70-R74 PolarHBondContact O-N 3.03Å; E70-R74 IonicContact OE2-CZ 3.17Å; E70-R74 IonicContact OE2-NH1 3.67Å; E70-R74 PolarHBondContact OE2-NH1 2.79Å; E70-R74 IonicContact OE2-NH2 2.71Å; E70-R74 PolarHBondContact OE2-NH2 3.21Å; I72-R74 PolarHBondContact O-N 3.22Å; R74-R78 WeakPolarHBondContact O-CG 3.41Å
75H91.1Very high89.4Confident5 Ų557.2 Ų57.22%0.02330%0.297CS..Hα-helixtrans-72.5-43.5176.2-178.888.6000110.7I6 Y36 V71 I72 E73 E77 R78 S82I6-H75 HydrophobicContact CD1-CB 3.88Å; Y36-H75 AromaticContact CE2-ND1 3.77Å; Y36-H75 AromaticContact CZ-ND1 3.86Å; Y36-H75 PolarHBondContact OH-ND1 3.17Å; V71-H75 WeakPolarHBondContact O-CB 3.27Å; V71-H75 PolarHBondContact O-N 2.79Å; V71-H75 VanDerWaalsContact O-N 3.07Å; I72-H75 PolarHBondContact O-N 3.46Å; E73-H75 PolarHBondContact O-N 2.75Å; H75-E77 PolarHBondContact O-N 2.94Å; H75-R78 WeakPolarHBondContact O-CB 3.25Å; H75-R78 PolarHBondContact O-N 2.91Å; H75-S82 PolarHBondContact NE2-O 3.46Å
76R87.9Confident89.3Confident69 Ų6957.2 Ų57.226%0.2630%0.297SS..Hα-helixtrans-61.1-41.9177.1-71.4174.959-131.6-7.8112.6I6 I72 E73 R78 E119I6-R76 HydrophobicContact CD1-CG 4.26Å; I72-R76 WeakPolarHBondContact O-CG 2.75Å; I72-R76 PolarHBondContact O-N 3.33Å; I72-R76 VanDerWaalsContact O-N 3.1Å; E73-R76 WeakPolarHBondContact O-CB 3.4Å; E73-R76 PolarHBondContact O-N 3.43Å; E73-R76 IonicContact OE1-CZ 2.96Å; E73-R76 IonicContact OE1-NH1 3.31Å; E73-R76 PolarHBondContact OE1-NH1 3.4Å; E73-R76 IonicContact OE2-NH1 2.67Å; E73-R76 PolarHBondContact OE2-NH1 2.93Å; R76-R78 PolarHBondContact O-N 3Å; R76-E119 IonicContact CZ-OE1 2.92Å; R76-E119 IonicContact CZ-OE2 2.67Å; R76-E119 VanDerWaalsContact NE-CD 3.33Å; R76-E119 IonicContact NE-OE1 2.63Å; R76-E119 PolarHBondContact NE-OE1 3.43Å; R76-E119 IonicContact NE-OE2 2.87Å; R76-E119 PolarHBondContact NE-OE2 3.07Å; R76-E119 IonicContact NH1-OE2 3.02Å; R76-E119 IonicContact NH2-OE1 2.84Å; R76-E119 PolarHBondContact NH2-OE1 2.9Å; R76-E119 IonicContact NH2-OE2 3.96Å; R76-E119 PolarHBondContact NH2-OE2 3.3Å
77E88.2Confident89.2Confident144 Ų14455 Ų5567%0.67329%0.285SS*.THydrogen-bonded Turntrans-64.9-18.9-179.1-72.9174.5164.700114.4E73 H75 S79E73-E77 WeakPolarHBondContact O-CG 3.42Å; E73-E77 PolarHBondContact O-N 2.83Å; H75-E77 PolarHBondContact O-N 2.94Å; E77-S79 PolarHBondContact O-N 2.83Å
78R84.8Confident89.1Confident136 Ų13649.8 Ų49.851%0.51327%0.266SS..  trans-64130.9179.7-70.8169.7-176.2-175.3-3.5109.2K4 Y36 R74 H75 R76 S80K4-R78 PolarHBondContact NZ-O 3.28Å; Y36-R78 PolarHBondContact OH-NH1 2.94Å; R74-R78 WeakPolarHBondContact O-CG 3.41Å; H75-R78 WeakPolarHBondContact O-CB 3.25Å; H75-R78 PolarHBondContact O-N 2.91Å; R76-R78 PolarHBondContact O-N 3Å; R78-S80 PolarHBondContact O-N 3.04Å
79S61.5Low88.9Confident130 Ų13050.3 Ų50.391%0.90927%0.269SS*.SBendtrans-78.6-19.5-176.1-42.10000114.1E77E77-S79 PolarHBondContact O-N 2.83Å
80S62.8Low88.8Confident107 Ų10748.9 Ų48.975%0.74826%0.262SS*.SBendtrans-127.7123.3173.953.10000109.2R78R78-S80 PolarHBondContact O-N 3.04Å
81G73.6Confident88.9Confident51 Ų5144.8 Ų44.853%0.52624%0.243SC..  trans171.3156.6-179.400000113K4K4-G81 VanDerWaalsContact CE-O 3.25Å; K4-G81 WeakPolarHBondContact CE-O 3.43Å; K4-G81 VanDerWaalsContact NZ-N 3.14Å
82S88.3Confident88.9Confident49 Ų4946 Ų4634%0.34325%0.247SC..  trans-78.6174.8167.5400000111.3P34 H75P34-S82 WeakPolarHBondContact CD-OG 3.43Å; H75-S82 PolarHBondContact NE2-O 3.46Å
83D93.4Very high89Confident36 Ų3649.6 Ų49.619%0.19326%0.261CS..  trans-61.2169.3161.8-60.1-29.5000110.8M5 Y7 W33 P34M5-D83 HydrophobicContact CB-CB 4.31Å; M5-D83 PolarHBondContact N-OD1 3.47Å; M5-D83 VanDerWaalsContact O-CA 3.29Å; M5-D83 WeakPolarHBondContact O-CA 3.29Å; M5-D83 VanDerWaalsContact O-CB 3.27Å; M5-D83 WeakPolarHBondContact O-CB 2.94Å; Y7-D83 HydrophobicContact CE2-CB 4.46Å; W33-D83 VanDerWaalsContact CB-O 3.29Å; W33-D83 WeakPolarHBondContact CB-O 3.5Å; W33-D83 HydrophobicContact CD2-CB 3.73Å; W33-D83 HydrophobicContact CE3-CB 3.84Å; W33-D83 HydrophobicContact CG-CB 4.42Å; W33-D83 VanDerWaalsContact CG-O 3.29Å; W33-D83 HydrophobicContact CH2-CB 3.81Å; W33-D83 WeakPolarHBondContact CH2-OD2 3.47Å; W33-D83 HydrophobicContact CZ2-CB 3.71Å; W33-D83 VanDerWaalsContact CZ2-OD2 3.26Å; W33-D83 WeakPolarHBondContact CZ2-OD2 3.49Å; W33-D83 HydrophobicContact CZ3-CB 3.89Å; P34-D83 WeakPolarHBondContact CD-O 3.37Å
84A94.4Very high89Confident0 Ų050.6 Ų50.60%027%0.268CS..EExtended strand (participates in β ladder)trans-132.9161.917900000113.9M5 I6 Y7 P34 Y36M5-A84 PolarHBondContact O-N 2.96Å; I6-A84 WeakPolarHBondContact CA-O 3.42Å; I6-A84 HydrophobicContact CG1-CB 4.33Å; Y7-A84 PolarHBondContact N-O 3.06Å; P34-A84 HydrophobicContact CG-CB 3.96Å; Y36-A84 HydrophobicContact CD2-CB 4.13Å; Y36-A84 HydrophobicContact CE2-CB 3.72Å
85L95.6Very high89.2Confident1 Ų144.5 Ų44.51%0.00525%0.245CC..EExtended strand (participates in β ladder)trans-109.6138170.3-63.3160.1000109.1Y7 I9 G24 L27 S28 W33 P34 F35 Y36Y7-L85 CarbonylContact O-C 3.54Å; Y7-L85 WeakPolarHBondContact O-CA 3.37Å; I9-L85 HydrophobicContact CD1-CD2 4.22Å; I9-L85 HydrophobicContact CG1-CD2 4.47Å; G24-L85 WeakPolarHBondContact O-CD1 3.28Å; L27-L85 HydrophobicContact CB-CD1 3.54Å; L27-L85 HydrophobicContact CB-CD2 4.27Å; L27-L85 HydrophobicContact CD1-CD2 4.11Å; S28-L85 VanDerWaalsContact N-CD1 3.3Å; W33-L85 HydrophobicContact CE3-CD2 4.46Å; W33-L85 HydrophobicContact CE3-CG 4.29Å; P34-L85 PolarHBondContact O-N 2.57Å; F35-L85 WeakPolarHBondContact CA-O 3.49Å; F35-L85 HydrophobicContact CB-CB 4.38Å; F35-L85 HydrophobicContact CD2-CB 3.63Å; F35-L85 HydrophobicContact CE2-CB 4.44Å; F35-L85 HydrophobicContact CG-CB 4.44Å; Y36-L85 WeakPolarHBondContact CD2-O 3.47Å; Y36-L85 PolarHBondContact N-O 3.48Å
86L95.9Very high89.4Confident1 Ų144.4 Ų44.41%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-129120.3172.6170.861.9000109.4I6 Y7 V8 I9 Y36 L68 I72 C88I6-L86 HydrophobicContact CG2-CB 4.14Å; Y7-L86 PolarHBondContact O-N 3.43Å; V8-L86 CarbonylContact C-O 3.59Å; V8-L86 VanDerWaalsContact CA-O 3.25Å; V8-L86 WeakPolarHBondContact CA-O 3.26Å; V8-L86 HydrophobicContact CG2-CB 4.44Å; V8-L86 HydrophobicContact CG2-CD2 4.29Å; I9-L86 PolarHBondContact N-O 3.4Å; Y36-L86 WeakPolarHBondContact O-CA 3.41Å; L68-L86 HydrophobicContact CB-CD2 4.42Å; L68-L86 HydrophobicContact CD2-CD1 4.04Å; I72-L86 HydrophobicContact CD1-CD2 4.03Å; I72-L86 HydrophobicContact CG1-CD2 4.05Å; L86-C88 HydrophobicContact CG-CB 4.41Å
87A95.4Very high89.7Confident0 Ų042.2 Ų42.20%024%0.237CC..EExtended strand (participates in β ladder)trans-78.5125.2167.800000109.6K17 E18 F35 Y36 G38K17-A87 HydrophobicContact CB-CB 4.29Å; E18-A87 HydrophobicContact CB-CB 4.49Å; E18-A87 WeakPolarHBondContact OE2-CB 3.41Å; F35-A87 HydrophobicContact CE2-CB 3.73Å; F35-A87 HydrophobicContact CZ-CB 3.72Å; Y36-A87 PolarHBondContact O-N 3.1Å; G38-A87 WeakPolarHBondContact CA-O 3.48Å; G38-A87 PolarHBondContact N-O 3.49Å
88C95.6Very high90.1Very high0 Ų035.5 Ų35.50%021%0.206CC..  trans-156.4132.7174.4178.60000109.9V8 I9 M10 W64 L68 L86 A90V8-C88 HydrophobicContact CG1-CB 3.88Å; I9-C88 PolarHBondContact O-N 3.22Å; I9-C88 VanDerWaalsContact O-O 3.12Å; M10-C88 WeakPolarHBondContact CA-O 3.49Å; M10-C88 WeakPolarHBondContact CB-O 3.32Å; W64-C88 VanDerWaalsContact CH2-SG 3.53Å; L68-C88 HydrophobicContact CD1-CB 3.98Å; L68-C88 VanDerWaalsContact CD1-SG 3.51Å; L86-C88 HydrophobicContact CG-CB 4.41Å; C88-A90 VanDerWaalsContact C-N 3.27Å; C88-A90 PolarHBondContact O-N 3.46Å
89S92.9Very high90.6Very high11 Ų1129 Ų298%0.07718%0.181CC..  trans-58.1-38.3-178.562.70000113.5G11 L91G11-S89 PolarHBondContact N-O 3.07Å; G11-S89 WeakPolarHBondContact O-CA 3.33Å; S89-L91 WeakPolarHBondContact O-CD2 3.42Å; S89-L91 PolarHBondContact O-N 3.31Å
90A95.2Very high92.1Very high0 Ų023.7 Ų23.70%014%0.143CC..  trans42.740.5172.600000114.9M10 C88 K92 R96 L99 F122M10-A90 HydrophobicContact CB-CB 3.98Å; M10-A90 HydrophobicContact CE-CB 4.49Å; M10-A90 WeakPolarHBondContact CE-O 3.4Å; M10-A90 HydrophobicContact SD-CB 4.43Å; C88-A90 VanDerWaalsContact C-N 3.27Å; C88-A90 PolarHBondContact O-N 3.46Å; A90-K92 PolarHBondContact O-N 2.78Å; A90-R96 HydrophobicContact CB-CG 3.94Å; A90-R96 PolarHBondContact O-NH1 2.81Å; A90-L99 HydrophobicContact CB-CD1 4Å; A90-F122 HydrophobicContact CB-CE1 4.35Å
91L96.4Very high93.5Very high0 Ų020.2 Ų20.20%011%0.114CC..  trans-68.1-32.6-163.7-59.5173.4000114.4V12 S89 Y95 Q152 I155 L156 E157V12-L91 HydrophobicContact CG1-CD2 3.97Å; S89-L91 WeakPolarHBondContact O-CD2 3.42Å; S89-L91 PolarHBondContact O-N 3.31Å; L91-Y95 HydrophobicContact CB-CD2 4.48Å; L91-Y95 HydrophobicContact CB-CE2 4.43Å; L91-Q152 HydrophobicContact CD1-CB 3.74Å; L91-Q152 HydrophobicContact CD1-CG 3.7Å; L91-I155 HydrophobicContact CB-CD1 4.3Å; L91-I155 HydrophobicContact CB-CG1 4.23Å; L91-I155 HydrophobicContact CD1-CD1 3.89Å; L91-I155 HydrophobicContact CD1-CG1 4Å; L91-L156 HydrophobicContact CD2-CD1 3.91Å; L91-E157 PolarHBondContact O-N 2.92Å
92K95.9Very high94.4Very high36 Ų3617.8 Ų17.816%0.1579%0.09CC..SBendtrans-101.4152177.3-61.8-172.9-176.4178.60111.2D58 A90 L94 Y95 R96 I155 E157D58-K92 IonicContact OD1-NZ 3.6Å; D58-K92 PolarHBondContact OD1-NZ 3.14Å; D58-K92 IonicContact OD2-NZ 3.59Å; D58-K92 PolarHBondContact OD2-NZ 3.26Å; A90-K92 PolarHBondContact O-N 2.78Å; K92-L94 PolarHBondContact O-N 2.97Å; K92-Y95 HydrophobicContact CB-CD1 4Å; K92-Y95 HydrophobicContact CB-CD2 3.93Å; K92-Y95 HydrophobicContact CB-CE1 4.09Å; K92-Y95 HydrophobicContact CB-CE2 4.02Å; K92-Y95 HydrophobicContact CB-CG 3.91Å; K92-Y95 HydrophobicContact CD-CE1 3.82Å; K92-Y95 HydrophobicContact CD-CE2 4.17Å; K92-Y95 HydrophobicContact CG-CD2 4.23Å; K92-Y95 HydrophobicContact CG-CE1 4.18Å; K92-Y95 HydrophobicContact CG-CE2 3.81Å; K92-Y95 WeakPolarHBondContact O-CB 3.35Å; K92-Y95 PolarHBondContact O-N 3.29Å; K92-R96 PolarHBondContact O-N 3.46Å; K92-I155 WeakPolarHBondContact CG-O 3.42Å; K92-E157 WeakPolarHBondContact CA-OE2 3.46Å
93R94.3Very high94.6Very high79 Ų7918.5 Ų18.530%0.29810%0.098SC..Hα-helixtrans-54.1-44171-176.6178.8175.294.5-7.1111Y95 R96 Q97 E157 S160 E163R93-Y95 PolarHBondContact O-N 3Å; R93-R96 WeakPolarHBondContact O-CB 3.45Å; R93-R96 PolarHBondContact O-N 3.23Å; R93-R96 VanDerWaalsContact O-N 3.12Å; R93-Q97 HydrophobicContact CG-CG 4.38Å; R93-Q97 VanDerWaalsContact O-CG 3.31Å; R93-Q97 WeakPolarHBondContact O-CG 3.35Å; R93-Q97 PolarHBondContact O-N 2.87Å; R93-E157 WeakPolarHBondContact CB-OE2 3.38Å; R93-E157 PolarHBondContact N-OE2 3.49Å; R93-S160 PolarHBondContact NH1-OG 3.3Å; R93-E163 IonicContact NH1-OE2 3.37Å; R93-E163 PolarHBondContact NH1-OE2 3.16Å
94L93.8Very high94.5Very high76 Ų7620.7 Ų20.740%0.39811%0.113SC..Hα-helixtrans-57.5-37.1176.6-178.960.2000112.4K92 Q97 I98 V106K92-L94 PolarHBondContact O-N 2.97Å; L94-Q97 PolarHBondContact O-N 3.27Å; L94-I98 HydrophobicContact CD1-CD1 4.49Å; L94-I98 HydrophobicContact CG-CD1 4.11Å; L94-I98 VanDerWaalsContact O-CG1 3.28Å; L94-I98 WeakPolarHBondContact O-CG1 3.22Å; L94-I98 PolarHBondContact O-N 3.05Å; L94-V106 HydrophobicContact CD1-CG1 4.09Å
95Y96.3Very high94.2Very high4 Ų421.2 Ų21.22%0.01612%0.117CC..Hα-helixtrans-68-41.3178.9-56-12.3000111.2D58 R61 L65 L91 K92 R93 Q97 I98 L99 I155D58-Y95 WeakPolarHBondContact OD1-CE1 3.43Å; D58-Y95 VanDerWaalsContact OD1-CZ 3.31Å; D58-Y95 PolarHBondContact OD1-OH 3.45Å; R61-Y95 PolarHBondContact NH1-OH 3.27Å; L65-Y95 HydrophobicContact CD1-CD1 3.57Å; L65-Y95 HydrophobicContact CD1-CD2 4.43Å; L65-Y95 HydrophobicContact CD1-CE1 4.31Å; L65-Y95 HydrophobicContact CD1-CG 3.66Å; L91-Y95 HydrophobicContact CB-CD2 4.48Å; L91-Y95 HydrophobicContact CB-CE2 4.43Å; K92-Y95 HydrophobicContact CB-CD1 4Å; K92-Y95 HydrophobicContact CB-CD2 3.93Å; K92-Y95 HydrophobicContact CB-CE1 4.09Å; K92-Y95 HydrophobicContact CB-CE2 4.02Å; K92-Y95 HydrophobicContact CB-CG 3.91Å; K92-Y95 HydrophobicContact CD-CE1 3.82Å; K92-Y95 HydrophobicContact CD-CE2 4.17Å; K92-Y95 HydrophobicContact CG-CD2 4.23Å; K92-Y95 HydrophobicContact CG-CE1 4.18Å; K92-Y95 HydrophobicContact CG-CE2 3.81Å; K92-Y95 WeakPolarHBondContact O-CB 3.35Å; K92-Y95 PolarHBondContact O-N 3.29Å; R93-Y95 PolarHBondContact O-N 3Å; Y95-Q97 VanDerWaalsContact C-N 3.33Å; Y95-I98 PolarHBondContact O-N 3.2Å; Y95-L99 WeakPolarHBondContact O-CG 3.18Å; Y95-L99 PolarHBondContact O-N 3.38Å; Y95-I155 HydrophobicContact CE2-CD1 4.36Å
96R96.1Very high93.8Very high2 Ų224.4 Ų24.41%0.00814%0.137CC..Hα-helixtrans-61.1-43.3173.6-64.2-172.7-63.8-92.512.9110.9A90 K92 R93 I98 L99 L100 F122 E157 E163A90-R96 HydrophobicContact CB-CG 3.94Å; A90-R96 PolarHBondContact O-NH1 2.81Å; K92-R96 PolarHBondContact O-N 3.46Å; R93-R96 WeakPolarHBondContact O-CB 3.45Å; R93-R96 PolarHBondContact O-N 3.23Å; R93-R96 VanDerWaalsContact O-N 3.12Å; R96-I98 VanDerWaalsContact C-N 3.34Å; R96-I98 PolarHBondContact O-N 3.1Å; R96-L99 WeakPolarHBondContact O-CB 3.36Å; R96-L99 PolarHBondContact O-N 2.91Å; R96-L99 VanDerWaalsContact O-N 3.12Å; R96-L100 VanDerWaalsContact O-CG 3.32Å; R96-L100 WeakPolarHBondContact O-CG 3.47Å; R96-L100 PolarHBondContact O-N 2.84Å; R96-F122 HydrophobicContact CB-CE1 4.02Å; R96-F122 HydrophobicContact CB-CE2 4.13Å; R96-F122 HydrophobicContact CB-CZ 3.61Å; R96-F122 HydrophobicContact CG-CD1 4.19Å; R96-F122 HydrophobicContact CG-CE1 3.67Å; R96-F122 HydrophobicContact CG-CE2 4.41Å; R96-F122 HydrophobicContact CG-CZ 3.8Å; R96-E157 PolarHBondContact NH1-O 3.41Å; R96-E157 PolarHBondContact NH2-O 3.12Å; R96-E163 IonicContact CZ-OE1 3.2Å; R96-E163 IonicContact CZ-OE2 3.33Å; R96-E163 IonicContact NE-OE1 3.37Å; R96-E163 PolarHBondContact NE-OE1 3.22Å; R96-E163 IonicContact NE-OE2 3.44Å; R96-E163 IonicContact NH2-OE1 3.84Å; R96-E163 PolarHBondContact NH2-OE1 3.25Å; R96-E163 IonicContact NH2-OE2 2.7Å; R96-E163 PolarHBondContact NH2-OE2 3.41Å
97Q93.9Very high93Very high23 Ų2325.9 Ų25.911%0.10715%0.149CC..Hα-helixtrans-61.3-38.7174.7-65.7-64.7-50.400112.8R93 L94 Y95 L99 L100 H101 A105R93-Q97 HydrophobicContact CG-CG 4.38Å; R93-Q97 VanDerWaalsContact O-CG 3.31Å; R93-Q97 WeakPolarHBondContact O-CG 3.35Å; R93-Q97 PolarHBondContact O-N 2.87Å; L94-Q97 PolarHBondContact O-N 3.27Å; Y95-Q97 VanDerWaalsContact C-N 3.33Å; Q97-L99 VanDerWaalsContact C-N 3.35Å; Q97-L100 PolarHBondContact O-N 3.26Å; Q97-H101 PolarHBondContact O-CD2 3.18Å; Q97-H101 PolarHBondContact O-N 3.02Å; Q97-H101 PolarHBondContact OE1-CD2 3.37Å; Q97-A105 HydrophobicContact CB-CB 4.06Å
98I95.4Very high91.3Very high4 Ų432.7 Ų32.72%0.02119%0.193CC..Hα-helixtrans-65-38.6174-66.2160000111.2L62 L65 L66 L94 Y95 R96 L100 G102 A105 V106L62-I98 HydrophobicContact CD1-CD1 3.83Å; L65-I98 HydrophobicContact CB-CB 4.3Å; L65-I98 HydrophobicContact CB-CG2 3.62Å; L65-I98 HydrophobicContact CD1-CD1 3.96Å; L66-I98 HydrophobicContact CD2-CG2 3.91Å; L66-I98 HydrophobicContact CG-CG2 4.33Å; L94-I98 HydrophobicContact CD1-CD1 4.49Å; L94-I98 HydrophobicContact CG-CD1 4.11Å; L94-I98 VanDerWaalsContact O-CG1 3.28Å; L94-I98 WeakPolarHBondContact O-CG1 3.22Å; L94-I98 PolarHBondContact O-N 3.05Å; Y95-I98 PolarHBondContact O-N 3.2Å; R96-I98 VanDerWaalsContact C-N 3.34Å; R96-I98 PolarHBondContact O-N 3.1Å; I98-L100 VanDerWaalsContact C-N 3.29Å; I98-L100 PolarHBondContact O-N 3.32Å; I98-G102 WeakPolarHBondContact O-CA 3.3Å; I98-G102 PolarHBondContact O-N 2.8Å; I98-A105 HydrophobicContact CB-CB 4.46Å; I98-A105 HydrophobicContact CG1-CB 3.88Å; I98-V106 HydrophobicContact CD1-CG1 3.94Å; I98-V106 HydrophobicContact CG1-CG1 4.04Å
99L95.4Very high89.5Confident0 Ų038.9 Ų38.90%023%0.231CC..Hα-helixtrans-63.5-37175.1-66.1173.8000111.9V8 L65 L68 H69 I72 A90 Y95 R96 Q97 F122V8-L99 HydrophobicContact CG1-CD1 4.23Å; L65-L99 HydrophobicContact CD2-CD2 4.24Å; L65-L99 HydrophobicContact CD2-CG 4.38Å; L68-L99 HydrophobicContact CB-CD2 3.55Å; L68-L99 HydrophobicContact CD1-CD2 4.2Å; H69-L99 PolarHBondContact ND1-O 3.01Å; I72-L99 HydrophobicContact CD1-CB 4.07Å; I72-L99 HydrophobicContact CD1-CD2 4.26Å; A90-L99 HydrophobicContact CB-CD1 4Å; Y95-L99 WeakPolarHBondContact O-CG 3.18Å; Y95-L99 PolarHBondContact O-N 3.38Å; R96-L99 WeakPolarHBondContact O-CB 3.36Å; R96-L99 PolarHBondContact O-N 2.91Å; R96-L99 VanDerWaalsContact O-N 3.12Å; Q97-L99 VanDerWaalsContact C-N 3.35Å; L99-F122 HydrophobicContact CD1-CE1 4.01Å; L99-F122 HydrophobicContact CD1-CZ 4.49Å
100L93.3Very high87.7Confident18 Ų1840.6 Ų40.69%0.09424%0.244CC..Hα-helixtrans-74.8-39.5179.1-62.7175.4000113.4R96 Q97 I98 V120 F122R96-L100 VanDerWaalsContact O-CG 3.32Å; R96-L100 WeakPolarHBondContact O-CG 3.47Å; R96-L100 PolarHBondContact O-N 2.84Å; Q97-L100 PolarHBondContact O-N 3.26Å; I98-L100 VanDerWaalsContact C-N 3.29Å; I98-L100 PolarHBondContact O-N 3.32Å; L100-V120 HydrophobicContact CD2-CB 3.48Å; L100-V120 VanDerWaalsContact CD2-CB 3.48Å; L100-V120 HydrophobicContact CD2-CG1 3.78Å; L100-V120 HydrophobicContact CD2-CG2 4.07Å; L100-F122 HydrophobicContact CD2-CE2 4.19Å; L100-F122 HydrophobicContact CD2-CZ 4.46Å; L100-F122 HydrophobicContact CG-CE2 4.44Å
101H92Very high85.4Confident33 Ų3346.6 Ų46.615%0.15329%0.286CS..Hα-helixtrans-128.83-164.6-51.6-63.7000114.5Q97 T104 A105 L114 P115Q97-H101 PolarHBondContact O-CD2 3.18Å; Q97-H101 PolarHBondContact O-N 3.02Å; Q97-H101 PolarHBondContact OE1-CD2 3.37Å; H101-T104 VanDerWaalsContact CB-OG1 3.31Å; H101-T104 WeakPolarHBondContact CB-OG1 3.37Å; H101-T104 PolarHBondContact O-N 2.67Å; H101-T104 PolarHBondContact O-OG1 3.29Å; H101-A105 HydrophobicContact CB-CB 4.36Å; H101-L114 HydrophobicContact CB-CD1 4.04Å; H101-L114 WeakPolarHBondContact NE2-CB 3.46Å; H101-P115 PolarHBondContact CE1-O 3.06Å; H101-P115 PolarHBondContact NE2-O 3.22Å; H101-P115 VanDerWaalsContact NE2-O 3.15Å
102G93.4Very high83.4Confident1 Ų150.2 Ų50.21%0.0132%0.315CS..G310 helixtrans59.7-138.8179.900000112.7H69 I98 T104 A105H69-G102 WeakPolarHBondContact CD2-CA 3.17Å; H69-G102 PolarHBondContact CE1-N 3.19Å; H69-G102 PolarHBondContact ND1-N 3.07Å; I98-G102 WeakPolarHBondContact O-CA 3.3Å; I98-G102 PolarHBondContact O-N 2.8Å; G102-T104 PolarHBondContact O-N 3.48Å; G102-T104 VanDerWaalsContact O-N 3.16Å; G102-A105 WeakPolarHBondContact O-CB 3.41Å; G102-A105 PolarHBondContact O-N 3.1Å
103A92.1Very high81.9Confident63 Ų6353.6 Ų53.652%0.52134%0.343SS..G310 helixtrans-64.6-18.4-177.600000113.6L66 A105 V106L66-A103 HydrophobicContact CD2-CB 4.07Å; L66-A103 VanDerWaalsContact CD2-N 3.34Å; A103-A105 PolarHBondContact O-N 3.49Å; A103-V106 VanDerWaalsContact O-CG2 3.25Å; A103-V106 WeakPolarHBondContact O-CG2 3.35Å; A103-V106 PolarHBondContact O-N 2.92Å
104T90.7Very high80.5Confident82 Ų8252.1 Ų52.150%0.50334%0.341SS..G310 helixtrans-69.2-24.9178.7710000112.3H101 G102 V106 A107H101-T104 VanDerWaalsContact CB-OG1 3.31Å; H101-T104 WeakPolarHBondContact CB-OG1 3.37Å; H101-T104 PolarHBondContact O-N 2.67Å; H101-T104 PolarHBondContact O-OG1 3.29Å; G102-T104 PolarHBondContact O-N 3.48Å; G102-T104 VanDerWaalsContact O-N 3.16Å; T104-V106 PolarHBondContact O-N 3.19Å; T104-A107 WeakPolarHBondContact O-CB 3.06Å; T104-A107 PolarHBondContact O-N 3.07Å
105A88.5Confident79.2Confident11 Ų1153.1 Ų53.19%0.09135%0.352CS..G310 helixtrans-63.3-24.8177.100000113.8Q97 I98 H101 G102 A103 L114Q97-A105 HydrophobicContact CB-CB 4.06Å; I98-A105 HydrophobicContact CB-CB 4.46Å; I98-A105 HydrophobicContact CG1-CB 3.88Å; H101-A105 HydrophobicContact CB-CB 4.36Å; G102-A105 WeakPolarHBondContact O-CB 3.41Å; G102-A105 PolarHBondContact O-N 3.1Å; A103-A105 PolarHBondContact O-N 3.49Å; A105-L114 HydrophobicContact CB-CD1 4.32Å
106V86.1Confident77.8Confident68 Ų6855.9 Ų55.941%0.41237%0.372SS..G310 helixtrans-109.36.7-178.5-65.50000112.8L62 L94 I98 A103 T104L62-V106 HydrophobicContact CD1-CG1 4.33Å; L62-V106 HydrophobicContact CD1-CG2 4.47Å; L94-V106 HydrophobicContact CD1-CG1 4.09Å; I98-V106 HydrophobicContact CD1-CG1 3.94Å; I98-V106 HydrophobicContact CG1-CG1 4.04Å; A103-V106 VanDerWaalsContact O-CG2 3.25Å; A103-V106 WeakPolarHBondContact O-CG2 3.35Å; A103-V106 PolarHBondContact O-N 2.92Å; T104-V106 PolarHBondContact O-N 3.19Å
107A80.6Confident76.8Confident33 Ų3356.6 Ų56.627%0.27338%0.378SS..  trans-72.9141.5-178.700000111.4T104 T109 S110T104-A107 WeakPolarHBondContact O-CB 3.06Å; T104-A107 PolarHBondContact O-N 3.07Å; A107-T109 PolarHBondContact O-N 3.34Å; A107-S110 PolarHBondContact O-N 3.34Å; A107-S110 PolarHBondContact O-OG 3.37Å
108P59.3Low75.9Confident142 Ų14259.5 Ų59.592%0.92240%0.398SS*.THydrogen-bonded Turntrans-61-12.5-175.9-22.832.2000115.8
109T57.6Low75.5Confident130 Ų13060.6 Ų60.680%0.79840%0.403SS*.THydrogen-bonded Turntrans-97.2-5.2-17453.30000113.8A107 S111A107-T109 PolarHBondContact O-N 3.34Å; T109-S111 VanDerWaalsContact C-N 3.27Å; T109-S111 PolarHBondContact O-N 3.16Å
110S55.6Low75.3Confident48 Ų4860.7 Ų60.734%0.33640%0.404SS..  trans-8365.3-179.553.20000112.1A107A107-S110 PolarHBondContact O-N 3.34Å; A107-S110 PolarHBondContact O-OG 3.37Å
111S46.9Very low75.3Confident126 Ų12660.9 Ų60.988%0.88140%0.404SS*.  trans-76.4-9.6168.3177.10000112.9T109T109-S111 VanDerWaalsContact C-N 3.27Å; T109-S111 PolarHBondContact O-N 3.16Å
112A55Low75.5Confident76 Ų7659.4 Ų59.463%0.62840%0.397SS*.SBendtrans-98.7136176.600000109.5L114A112-L114 PolarHBondContact O-N 2.92Å
113S62.9Low75.7Confident106 Ų10659.3 Ų59.374%0.74140%0.397SS*.  trans-49.8114.1168-60.30000108.7
114L66.5Low75.9Confident49 Ų4956.7 Ų56.726%0.25737%0.373SS..PPolyproline II helixtrans-63.6134.1175.2-72164000108.1H101 A105 A112H101-L114 HydrophobicContact CB-CD1 4.04Å; H101-L114 WeakPolarHBondContact NE2-CB 3.46Å; A105-L114 HydrophobicContact CB-CD1 4.32Å; A112-L114 PolarHBondContact O-N 2.92Å
115P65.6Low76.2Confident96 Ų9653 Ų5362%0.62335%0.35SS*.PPolyproline II helixtrans-64.3146.2-177.126.6-33.2000109.7H101 S117H101-P115 PolarHBondContact CE1-O 3.06Å; H101-P115 PolarHBondContact NE2-O 3.22Å; H101-P115 VanDerWaalsContact NE2-O 3.15Å; P115-S117 PolarHBondContact O-N 3.25Å
116S66.9Low76.5Confident62 Ų6256 Ų5643%0.43436%0.362SS..PPolyproline II helixtrans-51.1129.7168.853.60000109.9P118S116-P118 WeakPolarHBondContact O-CD 3.39Å
117S74.6Confident76.8Confident18 Ų1853 Ų5313%0.12635%0.346CS..PPolyproline II helixtrans-77.1119.4165.8-172.60000107.5P115 E119 V120 N164P115-S117 PolarHBondContact O-N 3.25Å; S117-E119 PolarHBondContact O-N 3.4Å; S117-E119 PolarHBondContact OG-OE2 2.79Å; S117-V120 PolarHBondContact O-N 3.47Å; S117-N164 PolarHBondContact O-ND2 3.32Å
118P75.2Confident77.5Confident83 Ų8355.2 Ų55.254%0.53935%0.353SS..THydrogen-bonded Turntrans-57.3-34.7178.521.8-28.7000110M5 S116 V120M5-P118 VanDerWaalsContact CE-C 3.45Å; M5-P118 WeakPolarHBondContact CE-O 3.44Å; S116-P118 WeakPolarHBondContact O-CD 3.39Å; P118-V120 VanDerWaalsContact C-N 3.26Å; P118-V120 PolarHBondContact O-N 3.18Å; P118-V120 VanDerWaalsContact O-N 3.17Å
119E86.5Confident79Confident27 Ų2750.8 Ų50.813%0.12632%0.318CS..THydrogen-bonded Turntrans-72.7-6.4-169.6-61.1155.5125.700115.5D3 M5 I6 R76 S117D3-E119 HydrophobicContact CB-CG 3.93Å; M5-E119 CarbonylContact C-O 3.55Å; M5-E119 WeakPolarHBondContact CA-O 3.25Å; I6-E119 PolarHBondContact N-O 3.05Å; R76-E119 IonicContact CZ-OE1 2.92Å; R76-E119 IonicContact CZ-OE2 2.67Å; R76-E119 VanDerWaalsContact NE-CD 3.33Å; R76-E119 IonicContact NE-OE1 2.63Å; R76-E119 PolarHBondContact NE-OE1 3.43Å; R76-E119 IonicContact NE-OE2 2.87Å; R76-E119 PolarHBondContact NE-OE2 3.07Å; R76-E119 IonicContact NH1-OE2 3.02Å; R76-E119 IonicContact NH2-OE1 2.84Å; R76-E119 PolarHBondContact NH2-OE1 2.9Å; R76-E119 IonicContact NH2-OE2 3.96Å; R76-E119 PolarHBondContact NH2-OE2 3.3Å; S117-E119 PolarHBondContact O-N 3.4Å; S117-E119 PolarHBondContact OG-OE2 2.79Å
120V91.9Very high80.7Confident3 Ų349.5 Ų49.52%0.01831%0.306CS..EExtended strand (participates in β ladder)trans-126.6126.7177.4179.80000108.9I6 V8 I72 L100 S117 P118 F122I6-V120 WeakPolarHBondContact O-CA 3.25Å; V8-V120 HydrophobicContact CG2-CG1 3.73Å; I72-V120 HydrophobicContact CG2-CG2 3.77Å; L100-V120 HydrophobicContact CD2-CB 3.48Å; L100-V120 VanDerWaalsContact CD2-CB 3.48Å; L100-V120 HydrophobicContact CD2-CG1 3.78Å; L100-V120 HydrophobicContact CD2-CG2 4.07Å; S117-V120 PolarHBondContact O-N 3.47Å; P118-V120 VanDerWaalsContact C-N 3.26Å; P118-V120 PolarHBondContact O-N 3.18Å; P118-V120 VanDerWaalsContact O-N 3.17Å; V120-F122 HydrophobicContact CG1-CE2 4.3Å; V120-F122 HydrophobicContact CG1-CZ 4.21Å
121F94.3Very high82.4Confident21 Ų2148.9 Ų48.99%0.09230%0.299CS..EExtended strand (participates in β ladder)trans-126.2134.4-176-161.5-82.6000110.5I6 Y7 V8 L123 N164 L166 H184I6-F121 PolarHBondContact O-N 2.75Å; Y7-F121 CarbonylContact C-O 3.49Å; Y7-F121 VanDerWaalsContact CA-O 3.27Å; Y7-F121 WeakPolarHBondContact CA-O 3.34Å; Y7-F121 HydrophobicContact CD1-CB 3.93Å; Y7-F121 HydrophobicContact CD1-CD1 4.01Å; Y7-F121 HydrophobicContact CD1-CG 4.28Å; Y7-F121 HydrophobicContact CE1-CB 3.99Å; Y7-F121 HydrophobicContact CE1-CD1 4.04Å; Y7-F121 HydrophobicContact CE1-CG 4.12Å; V8-F121 PolarHBondContact N-O 3.22Å; F121-L123 HydrophobicContact CD1-CD2 4.11Å; F121-L123 HydrophobicContact CE1-CD2 4.18Å; F121-N164 HydrophobicContact CD2-CB 3.9Å; F121-N164 HydrophobicContact CE2-CB 4.18Å; F121-L166 HydrophobicContact CE1-CB 3.63Å; F121-L166 VanDerWaalsContact CE1-N 3.33Å; F121-L166 HydrophobicContact CZ-CB 4.14Å; F121-H184 AromaticContact CD1-NE2 3.81Å; F121-H184 AromaticContact CD2-NE2 3.75Å; F121-H184 AromaticContact CE1-CD2 3.92Å; F121-H184 AromaticContact CE1-NE2 3.38Å; F121-H184 WeakPolarHBondContact CE1-NE2 3.23Å; F121-H184 AromaticContact CE2-CE1 3.53Å; F121-H184 AromaticContact CE2-NE2 3.33Å; F121-H184 VanDerWaalsContact CE2-NE2 3.33Å; F121-H184 WeakPolarHBondContact CE2-NE2 3.25Å; F121-H184 AromaticContact CG-NE2 3.99Å; F121-H184 AromaticContact CZ-CE1 3.34Å; F121-H184 WeakPolarHBondContact CZ-CE1 3.4Å; F121-H184 AromaticContact CZ-NE2 3.14Å; F121-H184 WeakPolarHBondContact CZ-NE2 3.27Å
122F96.1Very high84.4Confident2 Ų242.9 Ų42.91%0.00926%0.257CS..EExtended strand (participates in β ladder)trans-97.6125.9-177.1-65-86000111.4V8 M10 A90 R96 L99 L100 V120 N164 A165 L166V8-F122 HydrophobicContact CB-CD1 3.7Å; V8-F122 HydrophobicContact CB-CE1 3.88Å; V8-F122 HydrophobicContact CG1-CD1 3.91Å; V8-F122 HydrophobicContact CG1-CE1 3.94Å; V8-F122 HydrophobicContact CG2-CD1 4.41Å; V8-F122 HydrophobicContact CG2-CE1 4.17Å; V8-F122 CarbonylContact O-C 3.45Å; V8-F122 WeakPolarHBondContact O-CA 3.46Å; M10-F122 HydrophobicContact CG-CB 4.42Å; M10-F122 HydrophobicContact CG-CD1 4.42Å; M10-F122 HydrophobicContact SD-CB 4.03Å; M10-F122 HydrophobicContact SD-CD1 3.86Å; M10-F122 HydrophobicContact SD-CG 4.21Å; A90-F122 HydrophobicContact CB-CE1 4.35Å; R96-F122 HydrophobicContact CB-CE1 4.02Å; R96-F122 HydrophobicContact CB-CE2 4.13Å; R96-F122 HydrophobicContact CB-CZ 3.61Å; R96-F122 HydrophobicContact CG-CD1 4.19Å; R96-F122 HydrophobicContact CG-CE1 3.67Å; R96-F122 HydrophobicContact CG-CE2 4.41Å; R96-F122 HydrophobicContact CG-CZ 3.8Å; L99-F122 HydrophobicContact CD1-CE1 4.01Å; L99-F122 HydrophobicContact CD1-CZ 4.49Å; L100-F122 HydrophobicContact CD2-CE2 4.19Å; L100-F122 HydrophobicContact CD2-CZ 4.46Å; L100-F122 HydrophobicContact CG-CE2 4.44Å; V120-F122 HydrophobicContact CG1-CE2 4.3Å; V120-F122 HydrophobicContact CG1-CZ 4.21Å; F122-N164 WeakPolarHBondContact CD2-O 3.48Å; F122-N164 PolarHBondContact N-O 2.79Å; F122-A165 HydrophobicContact CB-CB 3.91Å; F122-A165 CarbonylContact O-C 3.45Å; F122-A165 WeakPolarHBondContact O-CA 3.48Å; F122-L166 PolarHBondContact O-N 2.89Å
123L96.9Very high86Confident0 Ų041.9 Ų41.90%024%0.239CC..EExtended strand (participates in β ladder)trans-99.695.9168.3-59.4-178.6000108.1Y7 V8 I9 M10 L27 F121 L125 L166 L168 V181Y7-L123 HydrophobicContact CD1-CD1 4.25Å; Y7-L123 HydrophobicContact CD1-CD2 4.21Å; Y7-L123 HydrophobicContact CD1-CG 4.19Å; V8-L123 PolarHBondContact O-N 3.33Å; I9-L123 WeakPolarHBondContact CA-O 3.41Å; I9-L123 HydrophobicContact CG1-CB 4.45Å; I9-L123 HydrophobicContact CG1-CD1 4.27Å; M10-L123 PolarHBondContact N-O 3.24Å; L27-L123 HydrophobicContact CD1-CD1 4.14Å; F121-L123 HydrophobicContact CD1-CD2 4.11Å; F121-L123 HydrophobicContact CE1-CD2 4.18Å; L123-L125 PolarHBondContact O-N 2.7Å; L123-L166 HydrophobicContact CD2-CB 4.03Å; L123-L166 HydrophobicContact CD2-CD2 4.18Å; L123-L168 HydrophobicContact CB-CD1 4.14Å; L123-V181 HydrophobicContact CD1-CG1 3.97Å; L123-V181 HydrophobicContact CD1-CG2 3.9Å; L123-V181 HydrophobicContact CD2-CG2 4.09Å
124Y97.3Very high87.2Confident7 Ų743 Ų433%0.02723%0.233CC..EExtended strand (participates in β ladder)trans-85.1106.2-176172.5-138.2000111.5M10 H126 L156 P158 P159 L166 T167 L168M10-Y124 HydrophobicContact CE-CD2 4.05Å; M10-Y124 HydrophobicContact CG-CD2 4.12Å; M10-Y124 HydrophobicContact CG-CG 4.42Å; Y124-H126 HydrophobicContact CD1-CB 4.18Å; Y124-H126 HydrophobicContact CE1-CB 3.72Å; Y124-H126 AromaticContact CE1-ND1 3.72Å; Y124-H126 HydrophobicContact CE2-CB 4.42Å; Y124-H126 AromaticContact CZ-ND1 3.66Å; Y124-H126 PolarHBondContact O-N 2.94Å; Y124-H126 VanDerWaalsContact O-N 3.11Å; Y124-H126 PolarHBondContact OH-ND1 2.71Å; Y124-L156 HydrophobicContact CE2-CD1 4.31Å; Y124-P158 HydrophobicContact CE1-CB 4.11Å; Y124-P159 HydrophobicContact CD1-CG 4.31Å; Y124-P159 HydrophobicContact CG-CG 4.24Å; Y124-L166 PolarHBondContact N-O 3.17Å; Y124-T167 HydrophobicContact CD1-CG2 3.89Å; Y124-T167 HydrophobicContact CE1-CG2 4.3Å; Y124-L168 PolarHBondContact O-N 3.17Å
125L96.1Very high88.1Confident4 Ų444.8 Ų44.82%0.02124%0.236CC..EExtended strand (participates in β ladder)trans-75.396.7172.7-60.2-169.9000110.1I9 M10 C15 K17 L23 L123 L168 I170 M177I9-L125 HydrophobicContact CG2-CD1 3.78Å; I9-L125 HydrophobicContact CG2-CD2 4.47Å; I9-L125 HydrophobicContact CG2-CG 3.9Å; M10-L125 WeakPolarHBondContact O-CB 3.47Å; M10-L125 PolarHBondContact O-N 2.94Å; C15-L125 HydrophobicContact CB-CB 4.18Å; C15-L125 VanDerWaalsContact SG-CB 3.59Å; K17-L125 HydrophobicContact CG-CD1 4.1Å; L23-L125 HydrophobicContact CD2-CD2 3.7Å; L123-L125 PolarHBondContact O-N 2.7Å; L125-L168 HydrophobicContact CD2-CB 3.92Å; L125-L168 HydrophobicContact CD2-CD1 3.87Å; L125-I170 HydrophobicContact CB-CG2 3.77Å; L125-M177 HydrophobicContact CD2-SD 4.36Å
126H94.9Very high88.9Confident75 Ų7540.9 Ų40.935%0.34721%0.21SC..EExtended strand (participates in β ladder)trans-92.3131.2-178.217778.9000112Y124 T167 L168 I170Y124-H126 HydrophobicContact CD1-CB 4.18Å; Y124-H126 HydrophobicContact CE1-CB 3.72Å; Y124-H126 AromaticContact CE1-ND1 3.72Å; Y124-H126 HydrophobicContact CE2-CB 4.42Å; Y124-H126 AromaticContact CZ-ND1 3.66Å; Y124-H126 PolarHBondContact O-N 2.94Å; Y124-H126 VanDerWaalsContact O-N 3.11Å; Y124-H126 PolarHBondContact OH-ND1 2.71Å; H126-T167 HydrophobicContact CB-CG2 3.62Å; H126-L168 PolarHBondContact N-O 3.29Å; H126-I170 WeakPolarHBondContact O-CG1 3.49Å; H126-I170 WeakPolarHBondContact O-CG2 3.44Å; H126-I170 PolarHBondContact O-N 3.42Å
127G93.1Very high89.6Confident6 Ų642.1 Ų42.16%0.06221%0.214CC..  trans-161.7158.1166.800000110.9F153G127-F153 WeakPolarHBondContact O-CZ 3.46Å
128D93.4Very high89.9Confident79 Ų7945.1 Ų45.142%0.42224%0.24SC..  trans-72.1162.8177.260.737.3000112.3D130 L131 I132D128-D130 VanDerWaalsContact C-N 3.34Å; D128-D130 PolarHBondContact O-N 3.5Å; D128-L131 WeakPolarHBondContact OD1-CA 3.41Å; D128-L131 WeakPolarHBondContact OD1-CB 3.46Å; D128-L131 PolarHBondContact OD1-N 3.1Å; D128-I132 WeakPolarHBondContact O-CG1 3.41Å; D128-I132 PolarHBondContact O-N 3.34Å
129Y92.2Very high90Very high48 Ų4846.8 Ų46.819%0.18824%0.236CC..Hα-helixtrans-58.3-46.9-178.8176.9-90.2000111.5L131 I132 H133 A146 L149 R150 F153Y129-L131 PolarHBondContact O-N 2.97Å; Y129-I132 PolarHBondContact O-N 2.94Å; Y129-H133 HydrophobicContact CD1-CB 4.34Å; Y129-H133 HydrophobicContact CE1-CB 4.03Å; Y129-H133 WeakPolarHBondContact O-CB 3.41Å; Y129-H133 PolarHBondContact O-N 3.49Å; Y129-A146 PolarHBondContact OH-O 3.26Å; Y129-L149 HydrophobicContact CD2-CD2 4.06Å; Y129-L149 HydrophobicContact CD2-CG 4.08Å; Y129-L149 HydrophobicContact CE2-CB 4.3Å; Y129-L149 HydrophobicContact CE2-CD2 3.77Å; Y129-L149 HydrophobicContact CE2-CG 3.79Å; Y129-R150 HydrophobicContact CE2-CB 4.09Å; Y129-F153 VanDerWaalsContact CA-CZ 3.46Å; Y129-F153 AromaticContact CD2-CD2 3.59Å; Y129-F153 HydrophobicContact CD2-CD2 3.59Å; Y129-F153 AromaticContact CD2-CE2 3.9Å; Y129-F153 HydrophobicContact CD2-CE2 3.9Å; Y129-F153 HydrophobicContact CD2-CG 4.15Å; Y129-F153 HydrophobicContact CE2-CD2 4.47Å; Y129-F153 HydrophobicContact CG-CD2 4.43Å; Y129-F153 HydrophobicContact CG-CE2 4.43Å
130D91.8Very high88.6Confident104 Ų10454.4 Ų54.456%0.55627%0.272SS*.Hα-helixtrans-64.3-43.1-173-68.1-30.9000111.8D128 Q134D128-D130 VanDerWaalsContact C-N 3.34Å; D128-D130 PolarHBondContact O-N 3.5Å; D130-Q134 VanDerWaalsContact O-CB 3.31Å; D130-Q134 WeakPolarHBondContact O-CB 3.48Å; D130-Q134 WeakPolarHBondContact O-CG 3.48Å; D130-Q134 PolarHBondContact O-N 2.88Å
131L91.3Very high86.9Confident34 Ų3457.7 Ų57.718%0.17831%0.306CS..Hα-helixtrans-61.6-47.1176.1176.763000111.7D128 Y129 Q134 R135 I170 R171D128-L131 WeakPolarHBondContact OD1-CA 3.41Å; D128-L131 WeakPolarHBondContact OD1-CB 3.46Å; D128-L131 PolarHBondContact OD1-N 3.1Å; Y129-L131 PolarHBondContact O-N 2.97Å; L131-Q134 PolarHBondContact O-N 3.31Å; L131-R135 WeakPolarHBondContact O-CB 3.31Å; L131-R135 WeakPolarHBondContact O-CG 3.44Å; L131-R135 PolarHBondContact O-N 3.12Å; L131-I170 HydrophobicContact CD2-CD1 4.05Å; L131-I170 HydrophobicContact CD2-CG1 3.77Å; L131-R171 HydrophobicContact CD2-CG 3.56Å
132I90Very high84.9Confident1 Ų160.4 Ų60.41%0.00532%0.318CS..Hα-helixtrans-68.6-43.7-177.8-64.5180000110.1V12 C15 D128 Y129 Q134 R135 M136 L149 F153 I170V12-I132 HydrophobicContact CG2-CD1 3.34Å; V12-I132 HydrophobicContact CG2-CG2 4.24Å; C15-I132 HydrophobicContact CB-CD1 3.89Å; D128-I132 WeakPolarHBondContact O-CG1 3.41Å; D128-I132 PolarHBondContact O-N 3.34Å; Y129-I132 PolarHBondContact O-N 2.94Å; I132-Q134 PolarHBondContact O-N 3.33Å; I132-R135 PolarHBondContact O-N 3.24Å; I132-M136 HydrophobicContact CG2-CG 4.32Å; I132-M136 HydrophobicContact CG2-SD 3.8Å; I132-M136 WeakPolarHBondContact O-CB 3.37Å; I132-M136 VanDerWaalsContact O-CG 3.27Å; I132-M136 WeakPolarHBondContact O-CG 3.44Å; I132-M136 PolarHBondContact O-N 3.2Å; I132-L149 HydrophobicContact CB-CD2 4.41Å; I132-L149 HydrophobicContact CG2-CD1 3.75Å; I132-L149 HydrophobicContact CG2-CD2 4.01Å; I132-F153 HydrophobicContact CD1-CE2 4.21Å; I132-F153 HydrophobicContact CD1-CZ 3.9Å; I132-I170 HydrophobicContact CD1-CD1 3.73Å; I132-I170 HydrophobicContact CG1-CD1 3.44Å; I132-I170 VanDerWaalsContact CG1-CD1 3.44Å
133H88.5Confident82.8Confident54 Ų5470.4 Ų70.425%0.2536%0.358CS..Hα-helixtrans-57.8-49.1175.4-178.2-106.8000111Y129 R135 M136 V137 A146 L149Y129-H133 HydrophobicContact CD1-CB 4.34Å; Y129-H133 HydrophobicContact CE1-CB 4.03Å; Y129-H133 WeakPolarHBondContact O-CB 3.41Å; Y129-H133 PolarHBondContact O-N 3.49Å; H133-R135 PolarHBondContact O-N 3.15Å; H133-M136 PolarHBondContact O-N 3.39Å; H133-M136 VanDerWaalsContact O-N 3.13Å; H133-V137 WeakPolarHBondContact O-CG2 3.44Å; H133-V137 PolarHBondContact O-N 2.91Å; H133-A146 WeakPolarHBondContact NE2-CB 3.47Å; H133-L149 HydrophobicContact CB-CD2 3.81Å
134Q87.9Confident80.7Confident130 Ų13076.2 Ų76.261%0.60739%0.386SS*.Hα-helixtrans-57.3-46175.6-75172.613.700112.3D130 L131 I132 M136 V137 A138D130-Q134 VanDerWaalsContact O-CB 3.31Å; D130-Q134 WeakPolarHBondContact O-CB 3.48Å; D130-Q134 WeakPolarHBondContact O-CG 3.48Å; D130-Q134 PolarHBondContact O-N 2.88Å; L131-Q134 PolarHBondContact O-N 3.31Å; I132-Q134 PolarHBondContact O-N 3.33Å; Q134-M136 VanDerWaalsContact C-N 3.29Å; Q134-M136 PolarHBondContact O-N 3.41Å; Q134-V137 PolarHBondContact O-N 3.12Å; Q134-A138 WeakPolarHBondContact O-CB 3.32Å; Q134-A138 PolarHBondContact O-N 3.05Å
135R86.2Confident79.3Confident86 Ų8679.6 Ų79.633%0.32540%0.401SS..Hα-helixtrans-61.4-37176.5-76.5176.6171.8-177.20.6112.5L131 I132 H133 R139 I170L131-R135 WeakPolarHBondContact O-CB 3.31Å; L131-R135 WeakPolarHBondContact O-CG 3.44Å; L131-R135 PolarHBondContact O-N 3.12Å; I132-R135 PolarHBondContact O-N 3.24Å; H133-R135 PolarHBondContact O-N 3.15Å; R135-R139 WeakPolarHBondContact O-CG 3.48Å; R135-I170 VanDerWaalsContact CZ-O 3.27Å; R135-I170 PolarHBondContact NH1-O 2.86Å; R135-I170 PolarHBondContact NH2-O 3.44Å
136M82.1Confident78.2Confident15 Ų1580.1 Ų80.17%0.07441%0.406CS..Hα-helixtrans-71.7-41.8178-72.8175.767.100112I132 H133 Q134 R139 K145 L149I132-M136 HydrophobicContact CG2-CG 4.32Å; I132-M136 HydrophobicContact CG2-SD 3.8Å; I132-M136 WeakPolarHBondContact O-CB 3.37Å; I132-M136 VanDerWaalsContact O-CG 3.27Å; I132-M136 WeakPolarHBondContact O-CG 3.44Å; I132-M136 PolarHBondContact O-N 3.2Å; H133-M136 PolarHBondContact O-N 3.39Å; H133-M136 VanDerWaalsContact O-N 3.13Å; Q134-M136 VanDerWaalsContact C-N 3.29Å; Q134-M136 PolarHBondContact O-N 3.41Å; M136-R139 PolarHBondContact O-N 3.03Å; M136-K145 HydrophobicContact CE-CB 3.41Å; M136-K145 VanDerWaalsContact CE-CB 3.41Å; M136-K145 HydrophobicContact CE-CD 3.9Å; M136-K145 HydrophobicContact CE-CG 4.29Å; M136-L149 HydrophobicContact CE-CB 4.5Å; M136-L149 HydrophobicContact SD-CB 4.39Å; M136-L149 HydrophobicContact SD-CD1 3.98Å; M136-L149 HydrophobicContact SD-CD2 3.83Å; M136-L149 HydrophobicContact SD-CG 4.28Å
137V81.4Confident77.4Confident87 Ų8782.6 Ų82.653%0.52742%0.422SS..Hα-helixtrans-66.5-40.4177.71720000111.7H133 Q134 R139H133-V137 WeakPolarHBondContact O-CG2 3.44Å; H133-V137 PolarHBondContact O-N 2.91Å; Q134-V137 PolarHBondContact O-N 3.12Å; V137-R139 PolarHBondContact O-N 3.24Å
138A81.7Confident76.9Confident81 Ų8184.1 Ų84.167%0.66943%0.428SS*.Hα-helixtrans-61.6-25.817800000113Q134 Q140Q134-A138 WeakPolarHBondContact O-CB 3.32Å; Q134-A138 PolarHBondContact O-N 3.05Å; A138-Q140 VanDerWaalsContact C-N 3.34Å; A138-Q140 PolarHBondContact O-N 3.04Å; A138-Q140 VanDerWaalsContact O-N 3.13Å
139R76.1Confident76.6Confident119 Ų11980.4 Ų80.445%0.44941%0.409SS..SBendtrans-82.482.1169.7-64.4171.2-177166.31.9108.1R135 M136 V137 G141 H142R135-R139 WeakPolarHBondContact O-CG 3.48Å; M136-R139 PolarHBondContact O-N 3.03Å; V137-R139 PolarHBondContact O-N 3.24Å; R139-G141 PolarHBondContact O-N 3.27Å; R139-H142 PolarHBondContact O-CD2 3.44Å
140Q56.5Low76.5Confident187 Ų18784.2 Ų84.287%0.87442%0.423SS*.SBendtrans-27.1125.9178.8-68.6-94.2-15.900114.1A138A138-Q140 VanDerWaalsContact C-N 3.34Å; A138-Q140 PolarHBondContact O-N 3.04Å; A138-Q140 VanDerWaalsContact O-N 3.13Å
141G56.4Low76.4Confident71 Ų7180.5 Ų80.573%0.73240%0.404SS*.SBendtrans115.318.4167.600000118.4R139R139-G141 PolarHBondContact O-N 3.27Å
142H54Low76.4Confident78 Ų7880.3 Ų80.336%0.36140%0.403SS..  trans-136.532.8-163.3-70.4-37.4000117.7R139 M144 K145R139-H142 PolarHBondContact O-CD2 3.44Å; H142-M144 VanDerWaalsContact C-N 3.28Å; H142-M144 PolarHBondContact O-N 3Å; H142-K145 HydrophobicContact CB-CB 4.29Å; H142-K145 HydrophobicContact CB-CD 3.72Å; H142-K145 HydrophobicContact CB-CG 3.87Å; H142-K145 PolarHBondContact CD2-NZ 2.87Å; H142-K145 VanDerWaalsContact CE1-CE 3.46Å; H142-K145 WeakPolarHBondContact CE1-CE 3.33Å; H142-K145 PolarHBondContact CE1-NZ 3.32Å; H142-K145 WeakPolarHBondContact ND1-CE 3.39Å; H142-K145 PolarHBondContact ND1-NZ 2.92Å; H142-K145 PolarHBondContact NE2-NZ 2.84Å; H142-K145 WeakPolarHBondContact O-CB 3.42Å; H142-K145 PolarHBondContact O-N 3.25Å
143Y51.8Low76.6Confident213 Ų21382.4 Ų82.484%0.83541%0.412SS*.THydrogen-bonded Turntrans-56.7-37.1179.3-168.1-96.9000113.6K145 A146Y143-K145 PolarHBondContact O-N 3.46Å; Y143-K145 VanDerWaalsContact O-N 3.1Å; Y143-A146 PolarHBondContact O-N 3.26Å
144M52.2Low76.9Confident122 Ų12284.9 Ų84.960%0.60143%0.427SS*.THydrogen-bonded Turntrans-62.2-15.1173.8-81-149.281.100114.8H142 A146H142-M144 VanDerWaalsContact C-N 3.28Å; H142-M144 PolarHBondContact O-N 3Å; M144-A146 VanDerWaalsContact C-N 3.34Å
145K68.3Low77.2Confident77 Ų7780.7 Ų80.734%0.33541%0.408SS..Hα-helixtrans-80.8-12.2-179.5-60.5-168176.7167.50113.5M136 H142 Y143 L149M136-K145 HydrophobicContact CE-CB 3.41Å; M136-K145 VanDerWaalsContact CE-CB 3.41Å; M136-K145 HydrophobicContact CE-CD 3.9Å; M136-K145 HydrophobicContact CE-CG 4.29Å; H142-K145 HydrophobicContact CB-CB 4.29Å; H142-K145 HydrophobicContact CB-CD 3.72Å; H142-K145 HydrophobicContact CB-CG 3.87Å; H142-K145 PolarHBondContact CD2-NZ 2.87Å; H142-K145 VanDerWaalsContact CE1-CE 3.46Å; H142-K145 WeakPolarHBondContact CE1-CE 3.33Å; H142-K145 PolarHBondContact CE1-NZ 3.32Å; H142-K145 WeakPolarHBondContact ND1-CE 3.39Å; H142-K145 PolarHBondContact ND1-NZ 2.92Å; H142-K145 PolarHBondContact NE2-NZ 2.84Å; H142-K145 WeakPolarHBondContact O-CB 3.42Å; H142-K145 PolarHBondContact O-N 3.25Å; Y143-K145 PolarHBondContact O-N 3.46Å; Y143-K145 VanDerWaalsContact O-N 3.1Å; K145-L149 WeakPolarHBondContact O-CB 3.28Å; K145-L149 PolarHBondContact O-N 3.44Å
146A72.9Confident77.7Confident15 Ų1578 Ų7812%0.12440%0.4CS..Hα-helixtrans-69.3-43.2-177.100000112.9Y129 H133 Y143 M144 L149 R150Y129-A146 PolarHBondContact OH-O 3.26Å; H133-A146 WeakPolarHBondContact NE2-CB 3.47Å; Y143-A146 PolarHBondContact O-N 3.26Å; M144-A146 VanDerWaalsContact C-N 3.34Å; A146-L149 WeakPolarHBondContact O-CB 3.38Å; A146-L149 PolarHBondContact O-N 2.91Å; A146-R150 PolarHBondContact O-N 3.11Å
147D77Confident78.4Confident128 Ų12881.4 Ų81.468%0.68442%0.416SS*.Hα-helixtrans-68.7-38.9177-66.5-28.6000111.3L149 R150 S151D147-L149 VanDerWaalsContact C-N 3.35Å; D147-L149 PolarHBondContact O-N 3.25Å; D147-R150 WeakPolarHBondContact O-CB 3.41Å; D147-R150 PolarHBondContact O-N 3.11Å; D147-S151 PolarHBondContact O-N 3.17Å
148L82.3Confident79.1Confident38 Ų3880.9 Ų80.920%0.19942%0.415CS..Hα-helixtrans-62.1-42.2172-74.8174.8000111.5P55 R150 S151 Q152P55-L148 HydrophobicContact CB-CD2 4.3Å; L148-R150 VanDerWaalsContact C-N 3.33Å; L148-R150 PolarHBondContact O-N 3.33Å; L148-S151 PolarHBondContact O-N 3.06Å; L148-S151 PolarHBondContact O-OG 3.24Å; L148-Q152 WeakPolarHBondContact O-CG 3.18Å; L148-Q152 PolarHBondContact O-N 2.99Å; L148-Q152 VanDerWaalsContact O-N 3.1Å
149L88Confident79.8Confident1 Ų177.9 Ų77.91%0.00539%0.388CS..Hα-helixtrans-60-45.7174.7-179.965.6000110.8V12 Y129 I132 H133 M136 K145 A146 D147 S151 Q152 F153V12-L149 HydrophobicContact CB-CD1 4.08Å; V12-L149 HydrophobicContact CG2-CD1 3.87Å; Y129-L149 HydrophobicContact CD2-CD2 4.06Å; Y129-L149 HydrophobicContact CD2-CG 4.08Å; Y129-L149 HydrophobicContact CE2-CB 4.3Å; Y129-L149 HydrophobicContact CE2-CD2 3.77Å; Y129-L149 HydrophobicContact CE2-CG 3.79Å; I132-L149 HydrophobicContact CB-CD2 4.41Å; I132-L149 HydrophobicContact CG2-CD1 3.75Å; I132-L149 HydrophobicContact CG2-CD2 4.01Å; H133-L149 HydrophobicContact CB-CD2 3.81Å; M136-L149 HydrophobicContact CE-CB 4.5Å; M136-L149 HydrophobicContact SD-CB 4.39Å; M136-L149 HydrophobicContact SD-CD1 3.98Å; M136-L149 HydrophobicContact SD-CD2 3.83Å; M136-L149 HydrophobicContact SD-CG 4.28Å; K145-L149 WeakPolarHBondContact O-CB 3.28Å; K145-L149 PolarHBondContact O-N 3.44Å; A146-L149 WeakPolarHBondContact O-CB 3.38Å; A146-L149 PolarHBondContact O-N 2.91Å; D147-L149 VanDerWaalsContact C-N 3.35Å; D147-L149 PolarHBondContact O-N 3.25Å; L149-S151 PolarHBondContact O-N 3.03Å; L149-Q152 PolarHBondContact O-N 2.95Å; L149-Q152 VanDerWaalsContact O-N 3.14Å; L149-F153 HydrophobicContact CD1-CD2 3.93Å; L149-F153 HydrophobicContact CD1-CE2 3.75Å; L149-F153 HydrophobicContact CG-CD2 4.03Å; L149-F153 HydrophobicContact CG-CE2 4.08Å; L149-F153 PolarHBondContact O-N 2.96Å
150R89.8Confident80.5Confident128 Ų12874.4 Ų74.448%0.48338%0.382SS..Hα-helixtrans-57.3-49.9177.3-169.175.8-145.5-168.62.1110.8Y129 A146 D147 L148 Q152 F153 D154Y129-R150 HydrophobicContact CE2-CB 4.09Å; A146-R150 PolarHBondContact O-N 3.11Å; D147-R150 WeakPolarHBondContact O-CB 3.41Å; D147-R150 PolarHBondContact O-N 3.11Å; L148-R150 VanDerWaalsContact C-N 3.33Å; L148-R150 PolarHBondContact O-N 3.33Å; R150-Q152 PolarHBondContact O-N 3.02Å; R150-Q152 VanDerWaalsContact O-N 3.16Å; R150-F153 PolarHBondContact O-N 2.67Å; R150-D154 IonicContact NE-OD1 2.8Å; R150-D154 PolarHBondContact NE-OD1 2.8Å; R150-D154 IonicContact NH2-OD1 3.81Å; R150-D154 PolarHBondContact O-N 3.26Å
151S89.5Confident81.9Confident25 Ų2574 Ų7418%0.17539%0.386CS..Hα-helixtrans-58.8-30.6178.678.50000113.6D147 L148 L149 I155D147-S151 PolarHBondContact O-N 3.17Å; L148-S151 PolarHBondContact O-N 3.06Å; L148-S151 PolarHBondContact O-OG 3.24Å; L149-S151 PolarHBondContact O-N 3.03Å; S151-I155 PolarHBondContact O-N 3.03Å
152Q92.2Very high83.3Confident31 Ų3177.9 Ų77.915%0.14539%0.385CS..Hα-helixtrans-76-38.9176.7-73.7-167.8-13.300112.4V12 L91 L148 L149 R150 D154 I155 L156V12-Q152 HydrophobicContact CB-CB 4.28Å; V12-Q152 HydrophobicContact CG1-CB 3.98Å; L91-Q152 HydrophobicContact CD1-CB 3.74Å; L91-Q152 HydrophobicContact CD1-CG 3.7Å; L148-Q152 WeakPolarHBondContact O-CG 3.18Å; L148-Q152 PolarHBondContact O-N 2.99Å; L148-Q152 VanDerWaalsContact O-N 3.1Å; L149-Q152 PolarHBondContact O-N 2.95Å; L149-Q152 VanDerWaalsContact O-N 3.14Å; R150-Q152 PolarHBondContact O-N 3.02Å; R150-Q152 VanDerWaalsContact O-N 3.16Å; Q152-D154 VanDerWaalsContact C-N 3.32Å; Q152-I155 WeakPolarHBondContact O-CG1 3.28Å; Q152-I155 PolarHBondContact O-N 2.47Å; Q152-L156 WeakPolarHBondContact O-CB 3.48Å; Q152-L156 PolarHBondContact O-N 3.04Å
153F94.5Very high85.1Confident44 Ų4475 Ų7519%0.19337%0.372CS..Hα-helixtrans-65-37.8172.6-91.8-85.1000111.9V12 G127 Y129 I132 L149 R150 I155 L156V12-F153 HydrophobicContact CB-CE2 4.34Å; V12-F153 HydrophobicContact CG1-CD2 4.03Å; V12-F153 HydrophobicContact CG1-CE2 4.13Å; V12-F153 HydrophobicContact CG1-CG 4.37Å; V12-F153 HydrophobicContact CG2-CD2 4.36Å; V12-F153 HydrophobicContact CG2-CE2 3.71Å; V12-F153 HydrophobicContact CG2-CZ 4.07Å; G127-F153 WeakPolarHBondContact O-CZ 3.46Å; Y129-F153 VanDerWaalsContact CA-CZ 3.46Å; Y129-F153 AromaticContact CD2-CD2 3.59Å; Y129-F153 HydrophobicContact CD2-CD2 3.59Å; Y129-F153 AromaticContact CD2-CE2 3.9Å; Y129-F153 HydrophobicContact CD2-CE2 3.9Å; Y129-F153 HydrophobicContact CD2-CG 4.15Å; Y129-F153 HydrophobicContact CE2-CD2 4.47Å; Y129-F153 HydrophobicContact CG-CD2 4.43Å; Y129-F153 HydrophobicContact CG-CE2 4.43Å; I132-F153 HydrophobicContact CD1-CE2 4.21Å; I132-F153 HydrophobicContact CD1-CZ 3.9Å; L149-F153 HydrophobicContact CD1-CD2 3.93Å; L149-F153 HydrophobicContact CD1-CE2 3.75Å; L149-F153 HydrophobicContact CG-CD2 4.03Å; L149-F153 HydrophobicContact CG-CE2 4.08Å; L149-F153 PolarHBondContact O-N 2.96Å; R150-F153 PolarHBondContact O-N 2.67Å; F153-I155 PolarHBondContact O-N 3.33Å; F153-L156 HydrophobicContact CD1-CD2 4.25Å; F153-L156 HydrophobicContact CE1-CD2 4.39Å; F153-L156 PolarHBondContact O-N 2.87Å
154D94.6Very high86.9Confident106 Ų10667.2 Ų67.257%0.56735%0.345SS*.Hα-helixtrans-64.9-24.4179.8-62.8-22.4000112.5R150 Q152R150-D154 IonicContact NE-OD1 2.8Å; R150-D154 PolarHBondContact NE-OD1 2.8Å; R150-D154 IonicContact NH2-OD1 3.81Å; R150-D154 PolarHBondContact O-N 3.26Å; Q152-D154 VanDerWaalsContact C-N 3.32Å
155I94.8Very high88.9Confident43 Ų4362.9 Ų62.922%0.22133%0.328CS..THydrogen-bonded Turntrans-105.4117671166.4000114L91 K92 Y95 S151 Q152 F153 E157L91-I155 HydrophobicContact CB-CD1 4.3Å; L91-I155 HydrophobicContact CB-CG1 4.23Å; L91-I155 HydrophobicContact CD1-CD1 3.89Å; L91-I155 HydrophobicContact CD1-CG1 4Å; K92-I155 WeakPolarHBondContact CG-O 3.42Å; Y95-I155 HydrophobicContact CE2-CD1 4.36Å; S151-I155 PolarHBondContact O-N 3.03Å; Q152-I155 WeakPolarHBondContact O-CG1 3.28Å; Q152-I155 PolarHBondContact O-N 2.47Å; F153-I155 PolarHBondContact O-N 3.33Å; I155-E157 PolarHBondContact O-N 3.42Å
156L96.6Very high90.2Very high29 Ų2961.2 Ų61.215%0.15232%0.323CS..  trans-73.9117.3-176.9173.763.7000109.6V12 L91 Y124 Q152 F153 P158V12-L156 HydrophobicContact CG1-CD2 4.14Å; L91-L156 HydrophobicContact CD2-CD1 3.91Å; Y124-L156 HydrophobicContact CE2-CD1 4.31Å; Q152-L156 WeakPolarHBondContact O-CB 3.48Å; Q152-L156 PolarHBondContact O-N 3.04Å; F153-L156 HydrophobicContact CD1-CD2 4.25Å; F153-L156 HydrophobicContact CE1-CD2 4.39Å; F153-L156 PolarHBondContact O-N 2.87Å; L156-P158 WeakPolarHBondContact O-CD 3.19Å
157E96.8Very high91.4Very high86 Ų8664 Ų6440%0.40234%0.338SS..  trans-107.999.3170.3-63.1165.4-165.900107.1L91 K92 R93 R96 I155L91-E157 PolarHBondContact O-N 2.92Å; K92-E157 WeakPolarHBondContact CA-OE2 3.46Å; R93-E157 WeakPolarHBondContact CB-OE2 3.38Å; R93-E157 PolarHBondContact N-OE2 3.49Å; R96-E157 PolarHBondContact NH1-O 3.41Å; R96-E157 PolarHBondContact NH2-O 3.12Å; I155-E157 PolarHBondContact O-N 3.42Å
158P96.1Very high92.3Very high77 Ų7757.9 Ų57.950%0.531%0.305SS..PPolyproline II helixtrans-52143.1177-25.935.1000111.2Y124 L156 S160Y124-P158 HydrophobicContact CE1-CB 4.11Å; L156-P158 WeakPolarHBondContact O-CD 3.19Å; P158-S160 PolarHBondContact O-N 3.17Å
159P94.6Very high92.9Very high17 Ų1757.5 Ų57.511%0.1130%0.304CS..PPolyproline II helixtrans-55.4137.3173.6-2434.6000111.4M10 Y124 E163 A165M10-P159 HydrophobicContact CE-CG 3.99Å; M10-P159 HydrophobicContact SD-CG 3.67Å; Y124-P159 HydrophobicContact CD1-CG 4.31Å; Y124-P159 HydrophobicContact CG-CG 4.24Å; P159-E163 WeakPolarHBondContact CA-OE2 3.31Å; P159-E163 HydrophobicContact CB-CB 4.3Å; P159-A165 HydrophobicContact CB-CB 3.57Å; P159-A165 HydrophobicContact CG-CB 4.04Å
160S91Very high93.2Very high47 Ų4757.5 Ų57.533%0.32930%0.304SS..PPolyproline II helixtrans-81.1166.8171.869.60000111.5R93 P158 E162 E163R93-S160 PolarHBondContact NH1-OG 3.3Å; P158-S160 PolarHBondContact O-N 3.17Å; S160-E162 PolarHBondContact O-N 2.8Å; S160-E162 VanDerWaalsContact O-N 3.1Å; S160-E163 PolarHBondContact N-OE2 3.42Å; S160-E163 WeakPolarHBondContact O-CB 3.32Å; S160-E163 PolarHBondContact O-N 2.68Å
161D87.4Confident93.3Very high177 Ų17759.3 Ų59.395%0.94731%0.31SS*.THydrogen-bonded Turntrans-63.2-14.7176.8-61.1-26.5000113.6
162E86Confident93.4Very high154 Ų15461.8 Ų61.872%0.7232%0.318SS*.THydrogen-bonded Turntrans-84.5-12.5175.2-60.4176.8176.500112.7S160S160-E162 PolarHBondContact O-N 2.8Å; S160-E162 VanDerWaalsContact O-N 3.1Å
163E89.8Confident93.3Very high18 Ų1863 Ų638%0.08433%0.33CS..SBendtrans-91.6143.9177.8-61.8-176.683.100110R93 R96 P159 S160 A165R93-E163 IonicContact NH1-OE2 3.37Å; R93-E163 PolarHBondContact NH1-OE2 3.16Å; R96-E163 IonicContact CZ-OE1 3.2Å; R96-E163 IonicContact CZ-OE2 3.33Å; R96-E163 IonicContact NE-OE1 3.37Å; R96-E163 PolarHBondContact NE-OE1 3.22Å; R96-E163 IonicContact NE-OE2 3.44Å; R96-E163 IonicContact NH2-OE1 3.84Å; R96-E163 PolarHBondContact NH2-OE1 3.25Å; R96-E163 IonicContact NH2-OE2 2.7Å; R96-E163 PolarHBondContact NH2-OE2 3.41Å; P159-E163 WeakPolarHBondContact CA-OE2 3.31Å; P159-E163 HydrophobicContact CB-CB 4.3Å; S160-E163 PolarHBondContact N-OE2 3.42Å; S160-E163 WeakPolarHBondContact O-CB 3.32Å; S160-E163 PolarHBondContact O-N 2.68Å; E163-A165 PolarHBondContact O-N 2.67Å
164N91.4Very high93Very high49 Ų4965 Ų6526%0.26234%0.336SS..SBendtrans-68.979.5175.6-75.2-13.8000110.1S117 F121 F122S117-N164 PolarHBondContact O-ND2 3.32Å; F121-N164 HydrophobicContact CD2-CB 3.9Å; F121-N164 HydrophobicContact CE2-CB 4.18Å; F122-N164 WeakPolarHBondContact CD2-O 3.48Å; F122-N164 PolarHBondContact N-O 2.79Å
165A94.5Very high92.8Very high30 Ų3065 Ų6525%0.24834%0.336CS..EExtended strand (participates in β ladder)trans-139.9139.4-173.200000113.4F122 P159 E163F122-A165 HydrophobicContact CB-CB 3.91Å; F122-A165 CarbonylContact O-C 3.45Å; F122-A165 WeakPolarHBondContact O-CA 3.48Å; P159-A165 HydrophobicContact CB-CB 3.57Å; P159-A165 HydrophobicContact CG-CB 4.04Å; E163-A165 PolarHBondContact O-N 2.67Å
166L95.4Very high92.7Very high43 Ų4367.5 Ų67.523%0.22535%0.347CS..EExtended strand (participates in β ladder)trans-109.5121.5166.6176.764.9000108.6F121 F122 L123 Y124 L168 V181 H184F121-L166 HydrophobicContact CE1-CB 3.63Å; F121-L166 VanDerWaalsContact CE1-N 3.33Å; F121-L166 HydrophobicContact CZ-CB 4.14Å; F122-L166 PolarHBondContact O-N 2.89Å; L123-L166 HydrophobicContact CD2-CB 4.03Å; L123-L166 HydrophobicContact CD2-CD2 4.18Å; Y124-L166 PolarHBondContact N-O 3.17Å; L166-L168 HydrophobicContact CD2-CD2 3.9Å; L166-L168 HydrophobicContact CG-CD2 4.07Å; L166-L168 HydrophobicContact CG-CG 4.4Å; L166-V181 HydrophobicContact CD2-CG2 4.45Å; L166-H184 HydrophobicContact CD2-CB 4.03Å
167T96.7Very high92.6Very high72 Ų7267 Ų6744%0.44234%0.343SS..EExtended strand (participates in β ladder)trans-84.9123.5174.6-620000110.3Y124 H126Y124-T167 HydrophobicContact CD1-CG2 3.89Å; Y124-T167 HydrophobicContact CE1-CG2 4.3Å; H126-T167 HydrophobicContact CB-CG2 3.62Å
168L96.3Very high92.4Very high0 Ų063.3 Ų63.30%033%0.327CS..EExtended strand (participates in β ladder)trans-112.4118.8179.1-61.9171.6000109.5L23 L123 Y124 L125 H126 L166 I170 M177 E180 V181L23-L168 HydrophobicContact CD2-CD1 3.61Å; L123-L168 HydrophobicContact CB-CD1 4.14Å; Y124-L168 PolarHBondContact O-N 3.17Å; L125-L168 HydrophobicContact CD2-CB 3.92Å; L125-L168 HydrophobicContact CD2-CD1 3.87Å; H126-L168 PolarHBondContact N-O 3.29Å; L166-L168 HydrophobicContact CD2-CD2 3.9Å; L166-L168 HydrophobicContact CG-CD2 4.07Å; L166-L168 HydrophobicContact CG-CG 4.4Å; L168-I170 PolarHBondContact O-N 3.32Å; L168-M177 HydrophobicContact CB-CG 4.31Å; L168-M177 HydrophobicContact CB-SD 4.09Å; L168-E180 HydrophobicContact CD2-CB 3.93Å; L168-V181 HydrophobicContact CD1-CG2 3.65Å; L168-V181 HydrophobicContact CD2-CG2 4.14Å
169D95.4Very high92.2Very high31 Ų3164.5 Ų64.517%0.16633%0.328CS..EExtended strand (participates in β ladder)trans-76.5113.8178.8-178-8.4000111.1R171 K172D169-R171 VanDerWaalsContact CG-NE 3.34Å; D169-R171 PolarHBondContact O-N 2.93Å; D169-R171 VanDerWaalsContact O-N 3.08Å; D169-R171 WeakPolarHBondContact OD1-CB 3.45Å; D169-R171 VanDerWaalsContact OD1-CG 3.31Å; D169-R171 WeakPolarHBondContact OD1-CG 3.41Å; D169-R171 IonicContact OD1-CZ 3.29Å; D169-R171 PolarHBondContact OD1-N 2.96Å; D169-R171 IonicContact OD1-NE 3.46Å; D169-R171 PolarHBondContact OD1-NE 3.35Å; D169-R171 IonicContact OD1-NH2 3.03Å; D169-R171 IonicContact OD2-CZ 3.22Å; D169-R171 IonicContact OD2-NE 2.78Å; D169-R171 PolarHBondContact OD2-NE 3.31Å; D169-R171 IonicContact OD2-NH2 2.64Å; D169-R171 PolarHBondContact OD2-NH2 3.14Å; D169-K172 HydrophobicContact CB-CD 4.34Å; D169-K172 HydrophobicContact CB-CG 4.27Å; D169-K172 WeakPolarHBondContact O-CB 3.35Å; D169-K172 PolarHBondContact O-N 2.79Å
170I93.4Very high92.3Very high1 Ų166.2 Ų66.21%0.00534%0.335CS..THydrogen-bonded Turntrans-69.8-6.1-17774.4177.5000113.8C15 L125 H126 L131 I132 R135 L168 K172C15-I170 HydrophobicContact CB-CD1 4.46Å; L125-I170 HydrophobicContact CB-CG2 3.77Å; H126-I170 WeakPolarHBondContact O-CG1 3.49Å; H126-I170 WeakPolarHBondContact O-CG2 3.44Å; H126-I170 PolarHBondContact O-N 3.42Å; L131-I170 HydrophobicContact CD2-CD1 4.05Å; L131-I170 HydrophobicContact CD2-CG1 3.77Å; I132-I170 HydrophobicContact CD1-CD1 3.73Å; I132-I170 HydrophobicContact CG1-CD1 3.44Å; I132-I170 VanDerWaalsContact CG1-CD1 3.44Å; R135-I170 VanDerWaalsContact CZ-O 3.27Å; R135-I170 PolarHBondContact NH1-O 2.86Å; R135-I170 PolarHBondContact NH2-O 3.44Å; L168-I170 PolarHBondContact O-N 3.32Å; I170-K172 VanDerWaalsContact C-N 3.29Å
171R91.9Very high92.4Very high165 Ų16564 Ų6462%0.62332%0.32SS*.THydrogen-bonded Turntrans-71.7-27.2170.4-64.9174-65.7-168.43111.7L131 D169L131-R171 HydrophobicContact CD2-CG 3.56Å; D169-R171 VanDerWaalsContact CG-NE 3.34Å; D169-R171 PolarHBondContact O-N 2.93Å; D169-R171 VanDerWaalsContact O-N 3.08Å; D169-R171 WeakPolarHBondContact OD1-CB 3.45Å; D169-R171 VanDerWaalsContact OD1-CG 3.31Å; D169-R171 WeakPolarHBondContact OD1-CG 3.41Å; D169-R171 IonicContact OD1-CZ 3.29Å; D169-R171 PolarHBondContact OD1-N 2.96Å; D169-R171 IonicContact OD1-NE 3.46Å; D169-R171 PolarHBondContact OD1-NE 3.35Å; D169-R171 IonicContact OD1-NH2 3.03Å; D169-R171 IonicContact OD2-CZ 3.22Å; D169-R171 IonicContact OD2-NE 2.78Å; D169-R171 PolarHBondContact OD2-NE 3.31Å; D169-R171 IonicContact OD2-NH2 2.64Å; D169-R171 PolarHBondContact OD2-NH2 3.14Å
172K92.4Very high92.7Very high77 Ų7757 Ų5734%0.33528%0.281SS..SBendtrans-65.7157173.6-62179.9-178.3176.90110.4D169 I170 E176 M177 E180D169-K172 HydrophobicContact CB-CD 4.34Å; D169-K172 HydrophobicContact CB-CG 4.27Å; D169-K172 WeakPolarHBondContact O-CB 3.35Å; D169-K172 PolarHBondContact O-N 2.79Å; I170-K172 VanDerWaalsContact C-N 3.29Å; K172-E176 HydrophobicContact CB-CB 4.11Å; K172-M177 HydrophobicContact CB-CG 4.18Å; K172-E180 WeakPolarHBondContact CD-OE1 3.46Å; K172-E180 WeakPolarHBondContact CE-OE1 3.37Å; K172-E180 IonicContact NZ-OE1 3.78Å; K172-E180 PolarHBondContact NZ-OE1 2.91Å; K172-E180 IonicContact NZ-OE2 3.29Å; K172-E180 PolarHBondContact NZ-OE2 3.26Å
173S90.1Very high93.1Very high56 Ų5657 Ų5739%0.39228%0.279SS..  trans-63.8153.6170.471.50000110.3N175 E176 M177S173-N175 PolarHBondContact O-N 3.26Å; S173-E176 VanDerWaalsContact CB-OE2 3.25Å; S173-E176 WeakPolarHBondContact CB-OE2 3.48Å; S173-E176 PolarHBondContact N-OE2 3.3Å; S173-E176 PolarHBondContact O-N 3.14Å; S173-E176 VanDerWaalsContact O-N 3.15Å; S173-E176 VanDerWaalsContact OG-CG 3.29Å; S173-E176 WeakPolarHBondContact OG-CG 3.44Å; S173-E176 PolarHBondContact OG-N 3.14Å; S173-E176 PolarHBondContact OG-OE2 3.34Å; S173-M177 PolarHBondContact O-N 2.91Å; S173-M177 VanDerWaalsContact O-N 3.16Å
174R87.8Confident93.2Very high88 Ų8857.7 Ų57.733%0.33228%0.282SS..Hα-helixtrans-55.3-38175.4-179.1177.160.8-145.1-3.8112T21 M177 I178T21-R174 PolarHBondContact O-NH1 3.41Å; R174-M177 PolarHBondContact O-N 3.02Å; R174-I178 HydrophobicContact CG-CD1 3.91Å; R174-I178 HydrophobicContact CG-CG1 4.45Å; R174-I178 VanDerWaalsContact O-CG1 3.28Å; R174-I178 WeakPolarHBondContact O-CG1 3.38Å; R174-I178 PolarHBondContact O-N 3.19Å
175N89.8Confident93.2Very high104 Ų10457 Ų5756%0.55628%0.278SS*.Hα-helixtrans-66.2-40.2-180-70.1-4.1000111.9S173 I178 L179S173-N175 PolarHBondContact O-N 3.26Å; N175-I178 PolarHBondContact O-N 3.29Å; N175-L179 WeakPolarHBondContact O-CG 3.48Å; N175-L179 PolarHBondContact O-N 2.74Å
176E93.6Very high92.8Very high97 Ų9763.2 Ų63.245%0.45330%0.302SS..Hα-helixtrans-62.4-45.7175.2-72.5163.7124.100111.3K172 S173 I178 L179 E180K172-E176 HydrophobicContact CB-CB 4.11Å; S173-E176 VanDerWaalsContact CB-OE2 3.25Å; S173-E176 WeakPolarHBondContact CB-OE2 3.48Å; S173-E176 PolarHBondContact N-OE2 3.3Å; S173-E176 PolarHBondContact O-N 3.14Å; S173-E176 VanDerWaalsContact O-N 3.15Å; S173-E176 VanDerWaalsContact OG-CG 3.29Å; S173-E176 WeakPolarHBondContact OG-CG 3.44Å; S173-E176 PolarHBondContact OG-N 3.14Å; S173-E176 PolarHBondContact OG-OE2 3.34Å; E176-I178 VanDerWaalsContact C-N 3.32Å; E176-I178 PolarHBondContact O-N 3Å; E176-L179 PolarHBondContact O-N 2.94Å; E176-E180 PolarHBondContact O-N 3.14Å
177M94.3Very high92.4Very high17 Ų1765.4 Ų65.48%0.08432%0.32CS..Hα-helixtrans-62.2-38.5176.2-68.6-172.8-69.700112.4L23 L125 L168 K172 S173 R174 E180 V181L23-M177 HydrophobicContact CD1-CB 4.25Å; L125-M177 HydrophobicContact CD2-SD 4.36Å; L168-M177 HydrophobicContact CB-CG 4.31Å; L168-M177 HydrophobicContact CB-SD 4.09Å; K172-M177 HydrophobicContact CB-CG 4.18Å; S173-M177 PolarHBondContact O-N 2.91Å; S173-M177 VanDerWaalsContact O-N 3.16Å; R174-M177 PolarHBondContact O-N 3.02Å; M177-E180 PolarHBondContact O-N 3.2Å; M177-V181 WeakPolarHBondContact O-CG2 3.28Å; M177-V181 PolarHBondContact O-N 3.17Å
178I91.5Very high91.4Very high9 Ų969 Ų695%0.04634%0.336CS..Hα-helixtrans-61.7-47174.9-72.1167000110.5L23 F26 L27 R174 N175 E176 E180 V181 E182L23-I178 HydrophobicContact CD1-CD1 4.43Å; L23-I178 HydrophobicContact CD1-CG1 3.52Å; F26-I178 HydrophobicContact CB-CD1 3.84Å; F26-I178 HydrophobicContact CD1-CD1 4.43Å; F26-I178 HydrophobicContact CG-CD1 4.44Å; L27-I178 HydrophobicContact CD2-CB 4.43Å; L27-I178 HydrophobicContact CD2-CG1 4.12Å; L27-I178 HydrophobicContact CD2-CG2 4.11Å; L27-I178 HydrophobicContact CG-CG1 4.46Å; R174-I178 HydrophobicContact CG-CD1 3.91Å; R174-I178 HydrophobicContact CG-CG1 4.45Å; R174-I178 VanDerWaalsContact O-CG1 3.28Å; R174-I178 WeakPolarHBondContact O-CG1 3.38Å; R174-I178 PolarHBondContact O-N 3.19Å; N175-I178 PolarHBondContact O-N 3.29Å; E176-I178 VanDerWaalsContact C-N 3.32Å; E176-I178 PolarHBondContact O-N 3Å; I178-E180 VanDerWaalsContact C-N 3.27Å; I178-E180 PolarHBondContact O-N 2.97Å; I178-V181 PolarHBondContact O-N 3.24Å; I178-V181 VanDerWaalsContact O-N 3.14Å; I178-E182 HydrophobicContact CG2-CG 4.28Å; I178-E182 WeakPolarHBondContact O-CG 3.48Å; I178-E182 PolarHBondContact O-N 2.73Å
179L93.5Very high91.2Very high103 Ų10372.5 Ų72.554%0.53935%0.353SS..Hα-helixtrans-62-35.7178.7-70.1170.5000112.1N175 E176 K183N175-L179 WeakPolarHBondContact O-CG 3.48Å; N175-L179 PolarHBondContact O-N 2.74Å; E176-L179 PolarHBondContact O-N 2.94Å; L179-K183 VanDerWaalsContact O-CB 3.26Å; L179-K183 WeakPolarHBondContact O-CB 3.42Å; L179-K183 PolarHBondContact O-N 3.17Å
180E95.5Very high91Very high53 Ų5374.6 Ų74.625%0.24836%0.363CS..Hα-helixtrans-64-43173.7-75.6172.1-121.300112.1L168 K172 E176 M177 I178 H184L168-E180 HydrophobicContact CD2-CB 3.93Å; K172-E180 WeakPolarHBondContact CD-OE1 3.46Å; K172-E180 WeakPolarHBondContact CE-OE1 3.37Å; K172-E180 IonicContact NZ-OE1 3.78Å; K172-E180 PolarHBondContact NZ-OE1 2.91Å; K172-E180 IonicContact NZ-OE2 3.29Å; K172-E180 PolarHBondContact NZ-OE2 3.26Å; E176-E180 PolarHBondContact O-N 3.14Å; M177-E180 PolarHBondContact O-N 3.2Å; I178-E180 VanDerWaalsContact C-N 3.27Å; I178-E180 PolarHBondContact O-N 2.97Å; E180-H184 WeakPolarHBondContact O-CB 3.42Å; E180-H184 PolarHBondContact O-N 2.99Å
181V94.6Very high90.8Very high1 Ų178.7 Ų78.71%0.00638%0.383CS..Hα-helixtrans-65.3-45.5176173.80000111.1L27 L123 L166 L168 M177 I178 H184 I185L27-V181 HydrophobicContact CD1-CG1 4Å; L27-V181 HydrophobicContact CD1-CG2 4.4Å; L27-V181 HydrophobicContact CD2-CB 4.23Å; L27-V181 HydrophobicContact CD2-CG1 3.94Å; L123-V181 HydrophobicContact CD1-CG1 3.97Å; L123-V181 HydrophobicContact CD1-CG2 3.9Å; L123-V181 HydrophobicContact CD2-CG2 4.09Å; L166-V181 HydrophobicContact CD2-CG2 4.45Å; L168-V181 HydrophobicContact CD1-CG2 3.65Å; L168-V181 HydrophobicContact CD2-CG2 4.14Å; M177-V181 WeakPolarHBondContact O-CG2 3.28Å; M177-V181 PolarHBondContact O-N 3.17Å; I178-V181 PolarHBondContact O-N 3.24Å; I178-V181 VanDerWaalsContact O-N 3.14Å; V181-H184 WeakPolarHBondContact O-CB 3.45Å; V181-H184 PolarHBondContact O-N 3.11Å; V181-I185 HydrophobicContact CG1-CD1 3.74Å; V181-I185 HydrophobicContact CG1-CG1 4.42Å; V181-I185 VanDerWaalsContact O-CG1 3.31Å; V181-I185 WeakPolarHBondContact O-CG1 3.37Å; V181-I185 PolarHBondContact O-N 3.36Å
182E92.8Very high90.8Very high29 Ų2973.6 Ų73.614%0.13637%0.369CS..Hα-helixtrans-61.5-46.5178-71.7-175.4135.200112R30 I178 H184 I185 E186R30-E182 IonicContact CZ-OE1 3.79Å; R30-E182 IonicContact CZ-OE2 3.08Å; R30-E182 VanDerWaalsContact NE-CD 3.27Å; R30-E182 IonicContact NE-OE1 2.67Å; R30-E182 PolarHBondContact NE-OE1 2.75Å; R30-E182 IonicContact NE-OE2 3.38Å; R30-E182 PolarHBondContact NE-OE2 3.22Å; R30-E182 VanDerWaalsContact NH2-CD 3.32Å; R30-E182 IonicContact NH2-OE1 3.32Å; R30-E182 PolarHBondContact NH2-OE1 2.71Å; R30-E182 IonicContact NH2-OE2 2.8Å; R30-E182 PolarHBondContact NH2-OE2 3.46Å; I178-E182 HydrophobicContact CG2-CG 4.28Å; I178-E182 WeakPolarHBondContact O-CG 3.48Å; I178-E182 PolarHBondContact O-N 2.73Å; E182-H184 PolarHBondContact O-N 3.38Å; E182-I185 PolarHBondContact O-N 2.89Å; E182-I185 VanDerWaalsContact O-N 3.14Å; E182-E186 WeakPolarHBondContact O-CG 3.44Å; E182-E186 PolarHBondContact O-N 3.4Å
183K94.1Very high90.7Very high155 Ų15573.4 Ų73.467%0.67437%0.371SS*.Hα-helixtrans-59.4-36.6176.2-179.3178.7177-175.90111.9L179 S187L179-K183 VanDerWaalsContact O-CB 3.26Å; L179-K183 WeakPolarHBondContact O-CB 3.42Å; L179-K183 PolarHBondContact O-N 3.17Å; K183-S187 WeakPolarHBondContact O-CB 3.39Å; K183-S187 PolarHBondContact O-N 3.25Å
184H91.9Very high90.7Very high32 Ų3274.6 Ų74.615%0.14837%0.369CS..Hα-helixtrans-66.4-48.3175173.365.3000111.3F121 L166 E180 V181 E182 E186 S187 L188F121-H184 AromaticContact CD1-NE2 3.81Å; F121-H184 AromaticContact CD2-NE2 3.75Å; F121-H184 AromaticContact CE1-CD2 3.92Å; F121-H184 AromaticContact CE1-NE2 3.38Å; F121-H184 WeakPolarHBondContact CE1-NE2 3.23Å; F121-H184 AromaticContact CE2-CE1 3.53Å; F121-H184 AromaticContact CE2-NE2 3.33Å; F121-H184 VanDerWaalsContact CE2-NE2 3.33Å; F121-H184 WeakPolarHBondContact CE2-NE2 3.25Å; F121-H184 AromaticContact CG-NE2 3.99Å; F121-H184 AromaticContact CZ-CE1 3.34Å; F121-H184 WeakPolarHBondContact CZ-CE1 3.4Å; F121-H184 AromaticContact CZ-NE2 3.14Å; F121-H184 WeakPolarHBondContact CZ-NE2 3.27Å; L166-H184 HydrophobicContact CD2-CB 4.03Å; E180-H184 WeakPolarHBondContact O-CB 3.42Å; E180-H184 PolarHBondContact O-N 2.99Å; V181-H184 WeakPolarHBondContact O-CB 3.45Å; V181-H184 PolarHBondContact O-N 3.11Å; E182-H184 PolarHBondContact O-N 3.38Å; H184-E186 VanDerWaalsContact C-N 3.29Å; H184-E186 PolarHBondContact O-N 3.47Å; H184-S187 PolarHBondContact O-N 3Å; H184-S187 PolarHBondContact O-OG 3.38Å; H184-L188 PolarHBondContact O-N 2.81Å
185I90.7Very high90.9Very high34 Ų3473.6 Ų73.617%0.17437%0.372CS..Hα-helixtrans-57.2-42.4177.1-66.5160.9000111.1Y7 L31 W33 V181 E182 S187 L188Y7-I185 HydrophobicContact CE1-CG1 4.2Å; Y7-I185 HydrophobicContact CE2-CG1 4.48Å; L31-I185 HydrophobicContact CD1-CD1 3.85Å; W33-I185 HydrophobicContact CH2-CD1 3.55Å; W33-I185 HydrophobicContact CH2-CG1 4.04Å; W33-I185 HydrophobicContact CH2-CG2 4.16Å; W33-I185 HydrophobicContact CZ2-CD1 4.46Å; W33-I185 HydrophobicContact CZ2-CG2 4.45Å; W33-I185 HydrophobicContact CZ3-CD1 3.92Å; V181-I185 HydrophobicContact CG1-CD1 3.74Å; V181-I185 HydrophobicContact CG1-CG1 4.42Å; V181-I185 VanDerWaalsContact O-CG1 3.31Å; V181-I185 WeakPolarHBondContact O-CG1 3.37Å; V181-I185 PolarHBondContact O-N 3.36Å; E182-I185 PolarHBondContact O-N 2.89Å; E182-I185 VanDerWaalsContact O-N 3.14Å; I185-S187 PolarHBondContact O-N 2.93Å; I185-L188 PolarHBondContact O-N 3.27Å
186E87.9Confident91Very high161 Ų16171.3 Ų71.375%0.75236%0.358SS*.THydrogen-bonded Turntrans-68.6-17.7177.9-71.4175.317600114E182 H184E182-E186 WeakPolarHBondContact O-CG 3.44Å; E182-E186 PolarHBondContact O-N 3.4Å; H184-E186 VanDerWaalsContact C-N 3.29Å; H184-E186 PolarHBondContact O-N 3.47Å
187S85.3Confident90.8Very high88 Ų8869.2 Ų69.262%0.61535%0.35SS*.THydrogen-bonded Turntrans-91.7-8.8-178.572.40000114.4K183 H184 I185K183-S187 WeakPolarHBondContact O-CB 3.39Å; K183-S187 PolarHBondContact O-N 3.25Å; H184-S187 PolarHBondContact O-N 3Å; H184-S187 PolarHBondContact O-OG 3.38Å; I185-S187 PolarHBondContact O-N 2.93Å
188L77.1Confident90.4Very high148 Ų14873.9 Ų73.978%0.77537%0.374SS*.  trans-87.80176-65.3177.1000111.2M5 H184 I185M5-L188 HydrophobicContact SD-CD1 4.1Å; H184-L188 PolarHBondContact O-N 2.81Å; I185-L188 PolarHBondContact O-N 3.27Å

Retrieved 188 of 188 residues in 173.4 ms (Link to these results)

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