A0A096M8R7_POEFO Loading...

Copine-3

Calcium-dependent phospholipid-binding protein that plays a role in ERBB2-mediated tumor cell migration in response to growth factor heregulin stimulation.

AlphaFold DB , UniProt , Accession A0A096M8R7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 533 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M27.2Very low69.3Low236 Ų23673.9 Ų73.9100%1.16342%0.417SS*.  0103.60-90.3-173.7-91.100107.4D3M1-D3 PolarHBondContact O-N 2.99Å; M1-D3 VanDerWaalsContact O-N 3.07Å
2A31.1Very low71.6Confident76 Ų7668.1 Ų68.163%0.62838%0.384SS*.  trans-74.893.2177.500000108.8C4A2-C4 PolarHBondContact O-N 3.1Å; A2-C4 VanDerWaalsContact O-N 3.08Å
3D36.4Very low73.4Confident161 Ų16165.3 Ų65.386%0.86137%0.372SS*.  trans-83.941.3-178.5-130.47.4000111.5M1M1-D3 PolarHBondContact O-N 2.99Å; M1-D3 VanDerWaalsContact O-N 3.07Å
4C48.8Very low75Confident104 Ų10460.9 Ų60.970%0.70335%0.347SS*.  trans-111.260.3-175.6-152.10000111.3A2 S6A2-C4 PolarHBondContact O-N 3.1Å; A2-C4 VanDerWaalsContact O-N 3.08Å; C4-S6 PolarHBondContact O-N 3.23Å
5V68.6Low76.2Confident60 Ų6063.6 Ų63.636%0.36436%0.355SS..  trans-70.4105.8166.3-177.10000107.9D64 H66V5-D64 HydrophobicContact CG1-CB 3.62Å; V5-H66 VanDerWaalsContact CG2-NE2 3.33Å; V5-H66 WeakPolarHBondContact CG2-NE2 3.36Å
6S83.7Confident77.2Confident20 Ų2065 Ų6514%0.1436%0.362CS..EExtended strand (participates in β ladder)trans-71.7150.6167.8-750000109.2C4 Y65 E132C4-S6 PolarHBondContact O-N 3.23Å; S6-Y65 PolarHBondContact N-O 2.94Å; S6-Y65 WeakPolarHBondContact O-CB 3.36Å; S6-Y65 PolarHBondContact O-N 2.92Å; S6-E132 VanDerWaalsContact CB-OE1 3.28Å; S6-E132 WeakPolarHBondContact CB-OE1 2.67Å; S6-E132 PolarHBondContact OG-OE1 3.46Å
7K89.6Confident78.1Confident104 Ų10461.7 Ų61.745%0.45234%0.343SS..EExtended strand (participates in β ladder)trans-103.8136170.8-66.1-164.6178.7-97.50109.4D64 I133K7-D64 WeakPolarHBondContact CE-OD1 3.48Å; K7-D64 WeakPolarHBondContact CG-OD1 3.39Å; K7-D64 IonicContact NZ-OD1 2.93Å; K7-D64 PolarHBondContact NZ-OD1 3.14Å; K7-D64 IonicContact NZ-OD2 3.23Å; K7-I133 HydrophobicContact CB-CB 4.11Å; K7-I133 HydrophobicContact CB-CD1 4.25Å; K7-I133 HydrophobicContact CB-CG1 4.5Å; K7-I133 PolarHBondContact O-N 3.1Å
8V92.7Very high78.6Confident0 Ų061.1 Ų61.10%034%0.339CS..EExtended strand (participates in β ladder)trans-116.2136.2178.5177.80000109.3L10 R62 V63 Y65 L100 V104 A130 E131 L278 M282V8-L10 HydrophobicContact CG1-CD2 3.68Å; V8-L10 HydrophobicContact CG1-CG 4.41Å; V8-R62 WeakPolarHBondContact O-CA 3.4Å; V8-V63 PolarHBondContact N-O 2.85Å; V8-V63 PolarHBondContact O-N 3.32Å; V8-Y65 HydrophobicContact CG2-CG 4.34Å; V8-L100 HydrophobicContact CG1-CD1 4.4Å; V8-V104 HydrophobicContact CG1-CG1 4.21Å; V8-V104 HydrophobicContact CG2-CG1 4.15Å; V8-A130 HydrophobicContact CG1-CB 3.82Å; V8-E131 CarbonylContact C-O 3.54Å; V8-E131 WeakPolarHBondContact CA-O 3.1Å; V8-L278 HydrophobicContact CG2-CD1 3.77Å; V8-M282 HydrophobicContact CG1-CE 4.41Å; V8-M282 HydrophobicContact CG2-CE 4.39Å
9E94.1Very high78.6Confident29 Ų2963.1 Ų63.114%0.13635%0.349CS..EExtended strand (participates in β ladder)trans-100.6128.1170.1-164.5163.998.700109.6R60 R62 A130 E131 I133E9-R60 VanDerWaalsContact CD-CG 3.41Å; E9-R60 HydrophobicContact CG-CB 3.55Å; E9-R60 HydrophobicContact CG-CG 4.02Å; E9-R60 WeakPolarHBondContact OE1-CD 3.05Å; E9-R60 WeakPolarHBondContact OE1-CG 3.44Å; E9-R60 IonicContact OE1-NE 3.93Å; E9-R60 PolarHBondContact OE1-NE 3.03Å; E9-R60 VanDerWaalsContact OE1-NE 3.14Å; E9-R60 WeakPolarHBondContact OE2-CB 3.44Å; E9-R62 IonicContact OE2-CZ 3.51Å; E9-R62 IonicContact OE2-NE 3.34Å; E9-R62 PolarHBondContact OE2-NE 3.38Å; E9-R62 IonicContact OE2-NH2 3.75Å; E9-A130 CarbonylContact O-C 3.46Å; E9-A130 WeakPolarHBondContact O-CA 3.35Å; E9-E131 PolarHBondContact N-O 2.78Å; E9-E131 PolarHBondContact O-N 3.34Å; E9-I133 HydrophobicContact CB-CD1 3.87Å; E9-I133 HydrophobicContact CB-CG1 3.78Å
10L95.5Very high78.2Confident0 Ų064.3 Ų64.30%035%0.35CS..EExtended strand (participates in β ladder)trans-110.1131.8177.4-52.4178.6000109.5V8 L32 L61 V63 L73 F75 L100 I103 I128 T129 A130V8-L10 HydrophobicContact CG1-CD2 3.68Å; V8-L10 HydrophobicContact CG1-CG 4.41Å; L10-L32 HydrophobicContact CD1-CD2 4.39Å; L10-L61 HydrophobicContact CB-CB 4.24Å; L10-L61 PolarHBondContact N-O 2.9Å; L10-L61 PolarHBondContact O-N 2.58Å; L10-V63 HydrophobicContact CD1-CG2 3.97Å; L10-L73 HydrophobicContact CD1-CD1 4.07Å; L10-F75 HydrophobicContact CD1-CE1 4.31Å; L10-F75 HydrophobicContact CD1-CZ 3.95Å; L10-L100 HydrophobicContact CD1-CD1 4.38Å; L10-L100 HydrophobicContact CD2-CD1 4.23Å; L10-I103 HydrophobicContact CD2-CG2 4.03Å; L10-I128 HydrophobicContact CB-CG2 4.25Å; L10-I128 HydrophobicContact CD2-CG2 4.35Å; L10-T129 CarbonylContact C-O 3.56Å; L10-T129 WeakPolarHBondContact CA-O 3.25Å; L10-A130 HydrophobicContact CD2-CB 3.65Å
11T94.8Very high77.5Confident23 Ų2363.6 Ų63.614%0.14135%0.346CS..EExtended strand (participates in β ladder)trans-111.6141.2173.379.10000108.4I128 T129T11-I128 WeakPolarHBondContact O-CA 3.32Å; T11-T129 PolarHBondContact N-O 3.31Å; T11-T129 PolarHBondContact O-N 2.99Å; T11-T129 WeakPolarHBondContact OG1-CB 3.24Å
12V96.3Very high78.9Confident4 Ų459.9 Ų59.92%0.02434%0.337CS..EExtended strand (participates in β ladder)trans-126.5136.3-174.5-1780000109.5C30 F57 L61 F75 I126 T127 I128V12-C30 HydrophobicContact CG1-CB 4.4Å; V12-F57 HydrophobicContact CB-CD2 4.09Å; V12-F57 HydrophobicContact CG1-CD2 4.05Å; V12-F57 HydrophobicContact CG1-CE2 4.32Å; V12-F57 WeakPolarHBondContact O-CD2 3.48Å; V12-F57 PolarHBondContact O-N 2.7Å; V12-L61 HydrophobicContact CG2-CD1 3.78Å; V12-F75 HydrophobicContact CG2-CD1 4.07Å; V12-F75 HydrophobicContact CG2-CE1 4.07Å; V12-I126 HydrophobicContact CG1-CD1 3.7Å; V12-I126 HydrophobicContact CG1-CG1 3.75Å; V12-T127 WeakPolarHBondContact CA-O 3.32Å; V12-I128 HydrophobicContact CG2-CG1 4.41Å
13S95.1Very high80.3Confident32 Ų3260.3 Ų60.322%0.22435%0.349CS..EExtended strand (participates in β ladder)trans-134.7157.7163.262.40000109.8P55 I126 T127S13-P55 CarbonylContact C-O 3.58Å; S13-P55 WeakPolarHBondContact CA-O 3.47Å; S13-P55 WeakPolarHBondContact CB-O 3.45Å; S13-I126 CarbonylContact O-C 3.54Å; S13-I126 WeakPolarHBondContact O-CA 3.37Å; S13-T127 PolarHBondContact N-O 3.34Å; S13-T127 PolarHBondContact O-N 3.05Å
14C95.8Very high81.9Confident3 Ų355.2 Ų55.22%0.0233%0.326CS..EExtended strand (participates in β ladder)trans-130161.9173.4-58.40000110.4L17 S54 P55 S125C14-L17 HydrophobicContact CB-CD1 4.22Å; C14-L17 HydrophobicContact CB-CD2 3.76Å; C14-L17 HydrophobicContact CB-CG 4.05Å; C14-S54 CarbonylContact O-C 3.57Å; C14-S54 VanDerWaalsContact O-C 3.23Å; C14-S54 WeakPolarHBondContact O-CA 3.12Å; C14-P55 HydrophobicContact CB-CG 3.79Å; C14-P55 PolarHBondContact N-O 2.88Å; C14-S125 CarbonylContact C-O 3.55Å; C14-S125 WeakPolarHBondContact CA-O 3.34Å; C14-S125 VanDerWaalsContact CB-O 3.26Å; C14-S125 WeakPolarHBondContact CB-O 3.48Å
15E93.6Very high83.2Confident102 Ų10254.9 Ų54.948%0.47731%0.313SS..EExtended strand (participates in β ladder)trans-137.2146.7172.6-63.4-176.317800110.4L17 S53 G124 S125E15-L17 VanDerWaalsContact C-N 3.34Å; E15-L17 PolarHBondContact O-N 3.22Å; E15-S53 CarbonylContact C-O 3.52Å; E15-G124 CarbonylContact O-C 3.57Å; E15-G124 VanDerWaalsContact O-CA 3.27Å; E15-G124 WeakPolarHBondContact O-CA 3.24Å; E15-S125 PolarHBondContact N-O 3Å; E15-S125 PolarHBondContact O-N 2.86Å
16N92.4Very high83.9Confident86 Ų8652 Ų5246%0.4630%0.295SS..SBendtrans57.240.6173.3-51.1-60000114S53 K123 G124N16-S53 PolarHBondContact N-O 2.78Å; N16-K123 HydrophobicContact CB-CB 4.26Å; N16-G124 WeakPolarHBondContact O-CA 3.14Å; N16-G124 PolarHBondContact O-N 3.12Å
17L92.1Very high84Confident9 Ų952.6 Ų52.65%0.04730%0.296CS..PPolyproline II helixtrans-57.6152172.5-62.3-177.3000111.3C14 E15 P28 S53 P55 V77 L93 L113C14-L17 HydrophobicContact CB-CD1 4.22Å; C14-L17 HydrophobicContact CB-CD2 3.76Å; C14-L17 HydrophobicContact CB-CG 4.05Å; E15-L17 VanDerWaalsContact C-N 3.34Å; E15-L17 PolarHBondContact O-N 3.22Å; L17-P28 HydrophobicContact CD1-CB 3.64Å; L17-P28 HydrophobicContact CD1-CG 4.05Å; L17-S53 WeakPolarHBondContact CG-O 3.37Å; L17-S53 PolarHBondContact N-O 3.17Å; L17-P55 HydrophobicContact CD1-CG 3.71Å; L17-V77 HydrophobicContact CD1-CG1 4.06Å; L17-V77 HydrophobicContact CD2-CG1 4.28Å; L17-L93 HydrophobicContact CB-CD1 4.47Å; L17-L93 HydrophobicContact CD1-CD1 4.1Å; L17-L113 HydrophobicContact CD2-CD1 3.27Å
18L86.8Confident84.1Confident51 Ų5147.6 Ų47.627%0.26728%0.275SS..PPolyproline II helixtrans-67.8133.9175.3-68.3171.1000109.8S26 L93 L115 A121L18-S26 PolarHBondContact O-OG 3.22Å; L18-S26 VanDerWaalsContact O-OG 3.04Å; L18-L93 HydrophobicContact CB-CD2 4.39Å; L18-L93 WeakPolarHBondContact O-CD2 2.8Å; L18-L115 HydrophobicContact CD1-CD2 4.35Å; L18-A121 HydrophobicContact CD1-CB 4.24Å
19D79.8Confident84.2Confident99 Ų9948.3 Ų48.353%0.52928%0.278SS..PPolyproline II helixtrans-80.4122.2168.2-58.3-43.2000108.6
20K70.7Confident84.2Confident86 Ų8646.9 Ų46.937%0.37427%0.272SS..  trans-105.7-20176.6-65.5-58.1-136.674.50113.8D91 L93K20-D91 HydrophobicContact CB-CB 4.42Å; K20-D91 WeakPolarHBondContact CB-OD2 3.41Å; K20-D91 HydrophobicContact CG-CB 4.33Å; K20-D91 VanDerWaalsContact CG-OD2 3.27Å; K20-D91 WeakPolarHBondContact CG-OD2 3.3Å; K20-D91 VanDerWaalsContact NZ-CG 3.35Å; K20-D91 IonicContact NZ-OD1 3.58Å; K20-D91 IonicContact NZ-OD2 2.69Å; K20-D91 PolarHBondContact NZ-OD2 2.78Å; K20-L93 HydrophobicContact CG-CD2 3.61Å
21D62.8Low84.3Confident50 Ų5047 Ų4727%0.26727%0.273SS..SBendtrans-79.2141.6173.4-76.9-25.9000113.7G23 S24D21-G23 PolarHBondContact O-N 3.14Å; D21-S24 WeakPolarHBondContact CB-OG 3.39Å; D21-S24 PolarHBondContact OD2-OG 2.63Å
22V57Low84.4Confident158 Ų15845.9 Ų45.996%0.95827%0.266SS*.SBendtrans-7888.1170.8-175.80000109.1
23G60.5Low84.4Confident86 Ų8647.1 Ų47.189%0.88727%0.272SS*.SBendtrans106.90.5170.800000116.4D21D21-G23 PolarHBondContact O-N 3.14Å
24S69.4Low84.4Confident53 Ų5347.6 Ų47.637%0.37127%0.271SS..SBendtrans-124.5163.9167.939.50000111D21D21-S24 WeakPolarHBondContact CB-OG 3.39Å; D21-S24 PolarHBondContact OD2-OG 2.63Å
25K76.9Confident84.3Confident98 Ų9850.7 Ų50.743%0.42628%0.284SS..  trans-84.9159.9165.9-50.5176.7177.4-178.60108.7N51K25-N51 WeakPolarHBondContact CA-OD1 3.49Å; K25-N51 WeakPolarHBondContact CB-OD1 3.32Å; K25-N51 WeakPolarHBondContact CG-OD1 3.16Å; K25-N51 PolarHBondContact N-OD1 2.87Å
26S81.9Confident83.9Confident0 Ų050.4 Ų50.40%029%0.289CS..  trans-57.3154.9176.9-63.70000114.4L18 P28 N51 T52 D79L18-S26 PolarHBondContact O-OG 3.22Å; L18-S26 VanDerWaalsContact O-OG 3.04Å; S26-P28 WeakPolarHBondContact O-CD 3Å; S26-N51 CarbonylContact O-C 3.59Å; S26-N51 VanDerWaalsContact O-CA 3.3Å; S26-N51 WeakPolarHBondContact O-CA 3.36Å; S26-N51 PolarHBondContact O-N 3.31Å; S26-T52 PolarHBondContact O-N 2.79Å; S26-D79 VanDerWaalsContact CA-OD1 3.23Å; S26-D79 WeakPolarHBondContact CA-OD1 3.31Å; S26-D79 WeakPolarHBondContact CA-OD2 3.45Å; S26-D79 VanDerWaalsContact CB-OD1 3.28Å; S26-D79 WeakPolarHBondContact CB-OD1 3.46Å; S26-D79 WeakPolarHBondContact CB-OD2 3.14Å; S26-D79 PolarHBondContact OG-OD2 2.73Å
27D87.2Confident83.4Confident31 Ų3149.2 Ų49.217%0.16630%0.298CS..  trans-101.771.4168.8-75.6-5.5000110.4R48 L49 N50 N51 D79 I80D27-R48 HydrophobicContact CB-CG 4.2Å; D27-L49 CarbonylContact C-O 3.54Å; D27-L49 WeakPolarHBondContact CA-O 3.48Å; D27-N50 WeakPolarHBondContact OD1-CA 3.4Å; D27-N51 PolarHBondContact OD1-N 3.14Å; D27-D79 PolarHBondContact N-OD1 2.65Å; D27-I80 PolarHBondContact O-N 3.46Å
28P91.5Very high83Confident0 Ų055.8 Ų55.80%033%0.333CS..EExtended strand (participates in β ladder)trans-70.5146.2-166.329.3-40000114.2L17 S26 L49 T52 P55 F57 V77 Y78 L93L17-P28 HydrophobicContact CD1-CB 3.64Å; L17-P28 HydrophobicContact CD1-CG 4.05Å; S26-P28 WeakPolarHBondContact O-CD 3Å; P28-L49 WeakPolarHBondContact CD-O 3.29Å; P28-L49 HydrophobicContact CG-CB 4.49Å; P28-L49 PolarHBondContact O-N 3.21Å; P28-T52 WeakPolarHBondContact CD-O 3.25Å; P28-T52 HydrophobicContact CG-CG2 3.77Å; P28-T52 WeakPolarHBondContact CG-O 3.4Å; P28-P55 HydrophobicContact CB-CB 4.42Å; P28-P55 HydrophobicContact CB-CG 4Å; P28-P55 HydrophobicContact CG-CB 3.67Å; P28-P55 HydrophobicContact CG-CG 3.63Å; P28-F57 HydrophobicContact CB-CZ 4.24Å; P28-F57 WeakPolarHBondContact O-CE1 3.21Å; P28-V77 HydrophobicContact CB-CG1 4.26Å; P28-Y78 CarbonylContact C-O 3.57Å; P28-Y78 VanDerWaalsContact CA-O 3.29Å; P28-Y78 WeakPolarHBondContact CA-O 3.5Å; P28-L93 HydrophobicContact CB-CD1 4.42Å
29L93.4Very high83.2Confident14 Ų1460.4 Ų60.47%0.07335%0.35CS..EExtended strand (participates in β ladder)trans-137.9141.4167.7175.2149.6000109.7V31 R45 T46 R48 V77 Y78 I80L29-V31 HydrophobicContact CD2-CG2 3.55Å; L29-R45 HydrophobicContact CD2-CB 4.04Å; L29-T46 WeakPolarHBondContact CD1-O 3.28Å; L29-R48 HydrophobicContact CD1-CB 4.42Å; L29-V77 WeakPolarHBondContact O-CA 3.45Å; L29-Y78 PolarHBondContact N-O 3.05Å; L29-Y78 PolarHBondContact O-N 3.26Å; L29-I80 HydrophobicContact CB-CD1 4.32Å; L29-I80 HydrophobicContact CB-CG1 3.71Å; L29-I80 HydrophobicContact CD1-CG1 4.43Å
30C95.6Very high83.9Confident0 Ų059.4 Ų59.40%034%0.339CS..EExtended strand (participates in β ladder)trans-106.6133176.5-1740000111.8V12 R45 T46 F57 G76V12-C30 HydrophobicContact CG1-CB 4.4Å; C30-R45 CarbonylContact O-C 3.58Å; C30-R45 VanDerWaalsContact O-CA 3.26Å; C30-R45 WeakPolarHBondContact O-CA 3.24Å; C30-T46 HydrophobicContact CB-CG2 3.87Å; C30-T46 PolarHBondContact N-OG1 3.23Å; C30-T46 PolarHBondContact O-N 3.13Å; C30-T46 PolarHBondContact O-OG1 3.14Å; C30-F57 HydrophobicContact CB-CD2 4.37Å; C30-F57 HydrophobicContact CB-CE2 3.95Å; C30-F57 HydrophobicContact CB-CZ 4.23Å; C30-G76 CarbonylContact C-O 3.55Å; C30-G76 WeakPolarHBondContact CA-O 3.12Å
31V96.1Very high85Confident2 Ų258.3 Ų58.31%0.01234%0.34CS..EExtended strand (participates in β ladder)trans-111.8127.8177.7-175.80000109L29 L33 E42 R45 F75 G76 Y78 L87L29-V31 HydrophobicContact CD2-CG2 3.55Å; V31-L33 HydrophobicContact CB-CD1 4.46Å; V31-L33 HydrophobicContact CG1-CD1 3.97Å; V31-L33 HydrophobicContact CG1-CG 4.23Å; V31-E42 HydrophobicContact CG1-CB 4.45Å; V31-E42 HydrophobicContact CG1-CG 3.69Å; V31-R45 HydrophobicContact CG2-CB 4.43Å; V31-F75 WeakPolarHBondContact O-CA 3.44Å; V31-G76 PolarHBondContact N-O 2.86Å; V31-G76 PolarHBondContact O-N 2.65Å; V31-Y78 HydrophobicContact CB-CE2 4.15Å; V31-Y78 HydrophobicContact CG2-CD2 3.8Å; V31-Y78 HydrophobicContact CG2-CE2 3.81Å; V31-L87 HydrophobicContact CG1-CD1 4.46Å; V31-L87 HydrophobicContact CG2-CD1 3.64Å; V31-L87 HydrophobicContact CG2-CD2 4.45Å
32L97Very high86.5Confident0 Ų059.6 Ų59.60%034%0.344CS..EExtended strand (participates in β ladder)trans-98.1121.3172.8177.261.4000109.9L10 L43 C44 L61 V63 L73 K74 F75L10-L32 HydrophobicContact CD1-CD2 4.39Å; L32-L43 HydrophobicContact CD2-CD1 4.22Å; L32-L43 HydrophobicContact CG-CB 4.5Å; L32-L43 HydrophobicContact CG-CD1 4.34Å; L32-L43 PolarHBondContact O-N 3.17Å; L32-C44 PolarHBondContact N-O 2.8Å; L32-L61 HydrophobicContact CB-CD1 4.12Å; L32-L61 HydrophobicContact CD2-CB 4.01Å; L32-L61 HydrophobicContact CD2-CD1 4.42Å; L32-V63 HydrophobicContact CD2-CG2 3.67Å; L32-L73 HydrophobicContact CD1-CB 4.06Å; L32-L73 HydrophobicContact CD1-CD1 4.31Å; L32-L73 HydrophobicContact CD1-CD2 4.2Å; L32-L73 HydrophobicContact CD1-CG 4.41Å; L32-K74 WeakPolarHBondContact CA-O 3.43Å; L32-F75 HydrophobicContact CD1-CD1 4.09Å; L32-F75 HydrophobicContact CD1-CE1 3.72Å; L32-F75 HydrophobicContact CD1-CE2 4.17Å; L32-F75 HydrophobicContact CD1-CG 4.48Å; L32-F75 HydrophobicContact CD1-CZ 3.75Å
33L96.4Very high88.2Confident30 Ų3055.7 Ų55.716%0.15732%0.318CS..EExtended strand (participates in β ladder)trans-113.3146.7171.2-50.895.3000110.5V31 W40 T41 L73 K74V31-L33 HydrophobicContact CB-CD1 4.46Å; V31-L33 HydrophobicContact CG1-CD1 3.97Å; V31-L33 HydrophobicContact CG1-CG 4.23Å; L33-W40 HydrophobicContact CB-CB 4.43Å; L33-W40 HydrophobicContact CB-CE3 3.93Å; L33-W40 HydrophobicContact CD2-CB 4.13Å; L33-T41 CarbonylContact C-O 3.59Å; L33-T41 WeakPolarHBondContact CA-O 3.17Å; L33-L73 CarbonylContact O-C 3.53Å; L33-L73 WeakPolarHBondContact O-CA 3.38Å; L33-K74 HydrophobicContact CB-CB 4.29Å; L33-K74 HydrophobicContact CD1-CB 4.32Å; L33-K74 HydrophobicContact CD1-CD 4.44Å; L33-K74 HydrophobicContact CD1-CG 4.22Å; L33-K74 PolarHBondContact N-O 3.23Å; L33-K74 PolarHBondContact O-N 3.06Å
34Q95.6Very high89.7Confident41 Ų4153.3 Ų53.319%0.19229%0.287CS..EExtended strand (participates in β ladder)trans-117.7140.1171.1-178.4177.7700110.1T41 L43 N72 L73Q34-T41 PolarHBondContact N-O 3.48Å; Q34-T41 PolarHBondContact O-N 3.02Å; Q34-L43 HydrophobicContact CB-CD1 3.71Å; Q34-L43 HydrophobicContact CB-CD2 4.16Å; Q34-L43 HydrophobicContact CB-CG 3.88Å; Q34-N72 WeakPolarHBondContact CA-O 3.24Å; Q34-L73 HydrophobicContact CB-CD2 3.96Å; Q34-L73 HydrophobicContact CG-CD2 4.05Å
35K93.4Very high90.9Very high68 Ų6854.8 Ų54.830%0.29629%0.285SS..EExtended strand (participates in β ladder)trans-83.6123.6174.3-154.2-170.9-178-148.50109.9G37 D38 K39 W40 N72K35-G37 WeakPolarHBondContact CE-O 3.37Å; K35-G37 WeakPolarHBondContact CG-O 3.35Å; K35-G37 PolarHBondContact NZ-O 2.62Å; K35-D38 IonicContact NZ-OD1 2.65Å; K35-D38 PolarHBondContact NZ-OD1 2.85Å; K35-K39 WeakPolarHBondContact CA-O 3.42Å; K35-W40 HydrophobicContact CB-CD2 4.09Å; K35-W40 HydrophobicContact CB-CE3 3.89Å; K35-W40 HydrophobicContact CB-CH2 3.98Å; K35-W40 HydrophobicContact CB-CZ2 4.16Å; K35-W40 HydrophobicContact CB-CZ3 3.82Å; K35-W40 HydrophobicContact CD-CZ2 4.31Å; K35-W40 HydrophobicContact CG-CD2 4.2Å; K35-W40 HydrophobicContact CG-CZ2 4.32Å; K35-N72 HydrophobicContact CB-CB 3.81Å; K35-N72 PolarHBondContact N-O 2.86Å
36T86.3Confident91.7Very high96 Ų9650.4 Ų50.459%0.58927%0.266SS*.EExtended strand (participates in β ladder)trans-122.4112.8170.1-55.30000108.2D38 K39T36-D38 PolarHBondContact O-N 2.84Å; T36-K39 PolarHBondContact N-O 3.42Å; T36-K39 PolarHBondContact O-N 2.66Å; T36-K39 VanDerWaalsContact O-N 3.15Å
37G81.9Confident92.1Very high62 Ų6252.7 Ų52.764%0.63928%0.277SS*.THydrogen-bonded Turntrans60.6-121.5-165.700000110.5K35K35-G37 WeakPolarHBondContact CE-O 3.37Å; K35-G37 WeakPolarHBondContact CG-O 3.35Å; K35-G37 PolarHBondContact NZ-O 2.62Å
38D83.3Confident92.2Very high147 Ų14756.2 Ų56.279%0.78629%0.288SS*.THydrogen-bonded Turntrans-101.46.3176.5-72.2-44.1000114.9K35 T36K35-D38 IonicContact NZ-OD1 2.65Å; K35-D38 PolarHBondContact NZ-OD1 2.85Å; T36-D38 PolarHBondContact O-N 2.84Å
39K91.8Very high92Very high147 Ų14758.2 Ų58.264%0.63930%0.298SS*.EExtended strand (participates in β ladder)trans-107.9131.7-177.3-170.8177.3177.4-175.40111.5K35 T36K35-K39 WeakPolarHBondContact CA-O 3.42Å; T36-K39 PolarHBondContact N-O 3.42Å; T36-K39 PolarHBondContact O-N 2.66Å; T36-K39 VanDerWaalsContact O-N 3.15Å
40W93.7Very high91.6Very high78 Ų7862.6 Ų62.630%0.29532%0.322SS..EExtended strand (participates in β ladder)trans-83.4129.9165.7-69.3100.9000109.9L33 K35 N72 K74L33-W40 HydrophobicContact CB-CB 4.43Å; L33-W40 HydrophobicContact CB-CE3 3.93Å; L33-W40 HydrophobicContact CD2-CB 4.13Å; K35-W40 HydrophobicContact CB-CD2 4.09Å; K35-W40 HydrophobicContact CB-CE3 3.89Å; K35-W40 HydrophobicContact CB-CH2 3.98Å; K35-W40 HydrophobicContact CB-CZ2 4.16Å; K35-W40 HydrophobicContact CB-CZ3 3.82Å; K35-W40 HydrophobicContact CD-CZ2 4.31Å; K35-W40 HydrophobicContact CG-CD2 4.2Å; K35-W40 HydrophobicContact CG-CZ2 4.32Å; W40-N72 HydrophobicContact CH2-CB 4.08Å; W40-K74 HydrophobicContact CD2-CB 4.48Å; W40-K74 HydrophobicContact CE3-CB 3.86Å; W40-K74 HydrophobicContact CH2-CB 3.8Å; W40-K74 HydrophobicContact CZ2-CB 4.41Å; W40-K74 HydrophobicContact CZ3-CB 3.5Å; W40-K74 VanDerWaalsContact CZ3-CB 3.5Å
41T93.9Very high91Very high63 Ų6367 Ų6739%0.38735%0.345SS..EExtended strand (participates in β ladder)trans-123.8130177.9-510000108.9L33 Q34 L43L33-T41 CarbonylContact C-O 3.59Å; L33-T41 WeakPolarHBondContact CA-O 3.17Å; Q34-T41 PolarHBondContact N-O 3.48Å; Q34-T41 PolarHBondContact O-N 3.02Å; T41-L43 PolarHBondContact O-N 3.15Å
42E94.4Very high90.4Very high77 Ų7768.5 Ų68.536%0.3635%0.354SS..EExtended strand (participates in β ladder)trans-64.1127.1172.1-179178.4155.700109.6V31 R45V31-E42 HydrophobicContact CG1-CB 4.45Å; V31-E42 HydrophobicContact CG1-CG 3.69Å; E42-R45 VanDerWaalsContact CD-NH2 3.31Å; E42-R45 IonicContact OE1-CZ 3.45Å; E42-R45 VanDerWaalsContact OE1-CZ 3.23Å; E42-R45 IonicContact OE1-NE 2.7Å; E42-R45 PolarHBondContact OE1-NE 3.48Å; E42-R45 IonicContact OE1-NH2 3.72Å; E42-R45 PolarHBondContact OE1-NH2 3.12Å; E42-R45 IonicContact OE2-NH2 2.83Å; E42-R45 PolarHBondContact OE2-NH2 3.04Å
43L92.9Very high89.9Confident76 Ų7669.7 Ų69.740%0.39836%0.363SS..EExtended strand (participates in β ladder)trans-92.4-48.8173.7-66.2-175.5000111.1L32 Q34 T41 V63L32-L43 HydrophobicContact CD2-CD1 4.22Å; L32-L43 HydrophobicContact CG-CB 4.5Å; L32-L43 HydrophobicContact CG-CD1 4.34Å; L32-L43 PolarHBondContact O-N 3.17Å; Q34-L43 HydrophobicContact CB-CD1 3.71Å; Q34-L43 HydrophobicContact CB-CD2 4.16Å; Q34-L43 HydrophobicContact CB-CG 3.88Å; T41-L43 PolarHBondContact O-N 3.15Å; L43-V63 HydrophobicContact CD1-CG1 4.49Å; L43-V63 HydrophobicContact CD1-CG2 4.35Å
44C91.8Very high89.6Confident36 Ų3671.1 Ų71.124%0.24338%0.375CS..EExtended strand (participates in β ladder)trans-165.9169.5-176.655.10000110.9L32 L61L32-C44 PolarHBondContact N-O 2.8Å; C44-L61 HydrophobicContact CB-CD2 4.4Å; C44-L61 VanDerWaalsContact SG-CD2 3.56Å
45R93.7Very high89.4Confident84 Ų8469.2 Ų69.232%0.31737%0.367SS..EExtended strand (participates in β ladder)trans-132.9156.4175.562.5-174.670.6-175.90.7111.4L29 C30 V31 E42 S85L29-R45 HydrophobicContact CD2-CB 4.04Å; C30-R45 CarbonylContact O-C 3.58Å; C30-R45 VanDerWaalsContact O-CA 3.26Å; C30-R45 WeakPolarHBondContact O-CA 3.24Å; V31-R45 HydrophobicContact CG2-CB 4.43Å; E42-R45 VanDerWaalsContact CD-NH2 3.31Å; E42-R45 IonicContact OE1-CZ 3.45Å; E42-R45 VanDerWaalsContact OE1-CZ 3.23Å; E42-R45 IonicContact OE1-NE 2.7Å; E42-R45 PolarHBondContact OE1-NE 3.48Å; E42-R45 IonicContact OE1-NH2 3.72Å; E42-R45 PolarHBondContact OE1-NH2 3.12Å; E42-R45 IonicContact OE2-NH2 2.83Å; E42-R45 PolarHBondContact OE2-NH2 3.04Å; R45-S85 PolarHBondContact NH1-O 3.02Å
46T93.7Very high89.3Confident7 Ų770.3 Ų70.34%0.04338%0.383CS..  trans-76.6175.2171.364.10000111.2L29 C30 F57 L61L29-T46 WeakPolarHBondContact CD1-O 3.28Å; C30-T46 HydrophobicContact CB-CG2 3.87Å; C30-T46 PolarHBondContact N-OG1 3.23Å; C30-T46 PolarHBondContact O-N 3.13Å; C30-T46 PolarHBondContact O-OG1 3.14Å; T46-F57 HydrophobicContact CG2-CB 3.77Å; T46-F57 HydrophobicContact CG2-CD1 4.17Å; T46-F57 HydrophobicContact CG2-CD2 4.19Å; T46-F57 HydrophobicContact CG2-CG 3.79Å; T46-F57 VanDerWaalsContact OG1-CD1 3.25Å; T46-F57 WeakPolarHBondContact OG1-CD1 3.37Å; T46-F57 WeakPolarHBondContact OG1-CE1 3.07Å; T46-L61 HydrophobicContact CG2-CD1 4.21Å; T46-L61 HydrophobicContact CG2-CD2 3.94Å; T46-L61 HydrophobicContact CG2-CG 4.33Å
47E90.9Very high89.5Confident48 Ų4866 Ų6622%0.22436%0.356CS..  trans-64.8160160.877.9-81.2-153.600111.5L49 F57 S58 Q59E47-L49 HydrophobicContact CG-CD2 3.8Å; E47-L49 HydrophobicContact CG-CG 4.39Å; E47-F57 WeakPolarHBondContact O-CD1 3.21Å; E47-F57 WeakPolarHBondContact O-CE1 3.18Å; E47-S58 VanDerWaalsContact CD-OG 3.3Å; E47-S58 WeakPolarHBondContact OE1-CA 3.37Å; E47-S58 WeakPolarHBondContact OE1-CB 3.1Å; E47-S58 PolarHBondContact OE1-N 3.05Å; E47-S58 PolarHBondContact OE1-OG 2.79Å; E47-Q59 WeakPolarHBondContact OE2-CB 3.3Å; E47-Q59 PolarHBondContact OE2-N 3.32Å
48R90Very high89.7Confident104 Ų10467.3 Ų67.339%0.39236%0.355SS..  trans-84.9132.7167.7-172.9-174.976.2171.38.8109.3D27 L29 N50 I80D27-R48 HydrophobicContact CB-CG 4.2Å; L29-R48 HydrophobicContact CD1-CB 4.42Å; R48-N50 PolarHBondContact NE-OD1 3.04Å; R48-N50 PolarHBondContact NH2-OD1 3.22Å; R48-I80 HydrophobicContact CG-CB 4.28Å; R48-I80 PolarHBondContact NH1-O 2.84Å
49L85.6Confident90Very high43 Ų4364.9 Ų64.923%0.22534%0.34CS..  trans-107.9139171.7-61.1-177.3000109.2D27 P28 E47 T52 P55 F57D27-L49 CarbonylContact C-O 3.54Å; D27-L49 WeakPolarHBondContact CA-O 3.48Å; P28-L49 WeakPolarHBondContact CD-O 3.29Å; P28-L49 HydrophobicContact CG-CB 4.49Å; P28-L49 PolarHBondContact O-N 3.21Å; E47-L49 HydrophobicContact CG-CD2 3.8Å; E47-L49 HydrophobicContact CG-CG 4.39Å; L49-T52 HydrophobicContact CB-CG2 3.86Å; L49-P55 HydrophobicContact CD1-CB 3.67Å; L49-F57 HydrophobicContact CD1-CD1 3.94Å; L49-F57 HydrophobicContact CD1-CE1 4.13Å; L49-F57 HydrophobicContact CG-CD1 4.05Å; L49-F57 HydrophobicContact CG-CE1 4.1Å
50N84.8Confident89.9Confident106 Ų10662.6 Ų62.657%0.56733%0.327SS*.SBendtrans-91.3137.9-175.5-56.8-23.1000111.5D27 R48 T52D27-N50 WeakPolarHBondContact OD1-CA 3.4Å; R48-N50 PolarHBondContact NE-OD1 3.04Å; R48-N50 PolarHBondContact NH2-OD1 3.22Å; N50-T52 PolarHBondContact O-N 3.34Å
51N83.1Confident89.8Confident91 Ų9158.9 Ų58.949%0.48731%0.313SS..SBendtrans51.553.9166.8-166.319.6000113.7K25 S26 D27K25-N51 WeakPolarHBondContact CA-OD1 3.49Å; K25-N51 WeakPolarHBondContact CB-OD1 3.32Å; K25-N51 WeakPolarHBondContact CG-OD1 3.16Å; K25-N51 PolarHBondContact N-OD1 2.87Å; S26-N51 CarbonylContact O-C 3.59Å; S26-N51 VanDerWaalsContact O-CA 3.3Å; S26-N51 WeakPolarHBondContact O-CA 3.36Å; S26-N51 PolarHBondContact O-N 3.31Å; D27-N51 PolarHBondContact OD1-N 3.14Å
52T84.7Confident89.8Confident34 Ų3463.9 Ų63.921%0.20932%0.324CS..  trans-141.3132179.4-173.70000113.1S26 P28 L49 N50 S54 P55S26-T52 PolarHBondContact O-N 2.79Å; P28-T52 WeakPolarHBondContact CD-O 3.25Å; P28-T52 HydrophobicContact CG-CG2 3.77Å; P28-T52 WeakPolarHBondContact CG-O 3.4Å; L49-T52 HydrophobicContact CB-CG2 3.86Å; N50-T52 PolarHBondContact O-N 3.34Å; T52-S54 PolarHBondContact OG1-N 3.17Å; T52-P55 HydrophobicContact CG2-CB 3.96Å
53S86.9Confident89.7Confident26 Ų2660.5 Ų60.518%0.18231%0.309CS..SBendtrans-92.8-3.2172.756.60000113.4E15 N16 L17E15-S53 CarbonylContact C-O 3.52Å; N16-S53 PolarHBondContact N-O 2.78Å; L17-S53 WeakPolarHBondContact CG-O 3.37Å; L17-S53 PolarHBondContact N-O 3.17Å
54S89.2Confident89.6Confident59 Ų5960.2 Ų60.241%0.41331%0.308SS..SBendtrans-134.765.8176.9-59.60000111.2C14 T52C14-S54 CarbonylContact O-C 3.57Å; C14-S54 VanDerWaalsContact O-C 3.23Å; C14-S54 WeakPolarHBondContact O-CA 3.12Å; T52-S54 PolarHBondContact OG1-N 3.17Å
55P90.8Very high89.6Confident2 Ų258.9 Ų58.91%0.01330%0.298CS..  trans-66.6143.6-178.228.3-36.4000112.4S13 C14 L17 P28 L49 T52 F57S13-P55 CarbonylContact C-O 3.58Å; S13-P55 WeakPolarHBondContact CA-O 3.47Å; S13-P55 WeakPolarHBondContact CB-O 3.45Å; C14-P55 HydrophobicContact CB-CG 3.79Å; C14-P55 PolarHBondContact N-O 2.88Å; L17-P55 HydrophobicContact CD1-CG 3.71Å; P28-P55 HydrophobicContact CB-CB 4.42Å; P28-P55 HydrophobicContact CB-CG 4Å; P28-P55 HydrophobicContact CG-CB 3.67Å; P28-P55 HydrophobicContact CG-CG 3.63Å; L49-P55 HydrophobicContact CD1-CB 3.67Å; T52-P55 HydrophobicContact CG2-CB 3.96Å; P55-F57 HydrophobicContact CB-CD2 4.49Å; P55-F57 HydrophobicContact CB-CE1 4Å; P55-F57 HydrophobicContact CB-CE2 3.87Å; P55-F57 HydrophobicContact CB-CZ 3.61Å; P55-F57 HydrophobicContact CG-CE2 3.83Å; P55-F57 HydrophobicContact CG-CZ 3.72Å
56S91Very high89.5Confident91 Ų9157.5 Ų57.564%0.63630%0.295SS*.BIsolated β-bridgetrans-123.4108.1165.2-175.20000107.7
57F91.1Very high89.2Confident4 Ų457.6 Ų57.62%0.01830%0.295CS..  trans-83.3131.1-172.1-57.9-77.6000110.8V12 P28 C30 T46 E47 L49 P55V12-F57 HydrophobicContact CB-CD2 4.09Å; V12-F57 HydrophobicContact CG1-CD2 4.05Å; V12-F57 HydrophobicContact CG1-CE2 4.32Å; V12-F57 WeakPolarHBondContact O-CD2 3.48Å; V12-F57 PolarHBondContact O-N 2.7Å; P28-F57 HydrophobicContact CB-CZ 4.24Å; P28-F57 WeakPolarHBondContact O-CE1 3.21Å; C30-F57 HydrophobicContact CB-CD2 4.37Å; C30-F57 HydrophobicContact CB-CE2 3.95Å; C30-F57 HydrophobicContact CB-CZ 4.23Å; T46-F57 HydrophobicContact CG2-CB 3.77Å; T46-F57 HydrophobicContact CG2-CD1 4.17Å; T46-F57 HydrophobicContact CG2-CD2 4.19Å; T46-F57 HydrophobicContact CG2-CG 3.79Å; T46-F57 VanDerWaalsContact OG1-CD1 3.25Å; T46-F57 WeakPolarHBondContact OG1-CD1 3.37Å; T46-F57 WeakPolarHBondContact OG1-CE1 3.07Å; E47-F57 WeakPolarHBondContact O-CD1 3.21Å; E47-F57 WeakPolarHBondContact O-CE1 3.18Å; L49-F57 HydrophobicContact CD1-CD1 3.94Å; L49-F57 HydrophobicContact CD1-CE1 4.13Å; L49-F57 HydrophobicContact CG-CD1 4.05Å; L49-F57 HydrophobicContact CG-CE1 4.1Å; P55-F57 HydrophobicContact CB-CD2 4.49Å; P55-F57 HydrophobicContact CB-CE1 4Å; P55-F57 HydrophobicContact CB-CE2 3.87Å; P55-F57 HydrophobicContact CB-CZ 3.61Å; P55-F57 HydrophobicContact CG-CE2 3.83Å; P55-F57 HydrophobicContact CG-CZ 3.72Å
58S86.7Confident89Confident90 Ų9056.7 Ų56.763%0.62929%0.291SS*.  trans-79.3-32174.966.30000112.3E47 R60E47-S58 VanDerWaalsContact CD-OG 3.3Å; E47-S58 WeakPolarHBondContact OE1-CA 3.37Å; E47-S58 WeakPolarHBondContact OE1-CB 3.1Å; E47-S58 PolarHBondContact OE1-N 3.05Å; E47-S58 PolarHBondContact OE1-OG 2.79Å; S58-R60 PolarHBondContact O-N 2.89Å
59Q89.1Confident88.9Confident97 Ų9753.8 Ų53.845%0.45328%0.284SS..SBendtrans-63.4133.7177.8-177.560.737.900110.6E47E47-Q59 WeakPolarHBondContact OE2-CB 3.3Å; E47-Q59 PolarHBondContact OE2-N 3.32Å
60R89.5Confident89.1Confident98 Ų9854.1 Ų54.137%0.3729%0.288SS..PPolyproline II helixtrans-99.2125.3-177.7-64.2-56.9-156.8-139.48.3110.2E9 S58E9-R60 VanDerWaalsContact CD-CG 3.41Å; E9-R60 HydrophobicContact CG-CB 3.55Å; E9-R60 HydrophobicContact CG-CG 4.02Å; E9-R60 WeakPolarHBondContact OE1-CD 3.05Å; E9-R60 WeakPolarHBondContact OE1-CG 3.44Å; E9-R60 IonicContact OE1-NE 3.93Å; E9-R60 PolarHBondContact OE1-NE 3.03Å; E9-R60 VanDerWaalsContact OE1-NE 3.14Å; E9-R60 WeakPolarHBondContact OE2-CB 3.44Å; S58-R60 PolarHBondContact O-N 2.89Å
61L92.8Very high89.5Confident0 Ų049.6 Ų49.60%026%0.263CS..EExtended strand (participates in β ladder)trans-96.5117.7-177-49.2174.9000108.6L10 V12 L32 C44 T46 F75L10-L61 HydrophobicContact CB-CB 4.24Å; L10-L61 PolarHBondContact N-O 2.9Å; L10-L61 PolarHBondContact O-N 2.58Å; V12-L61 HydrophobicContact CG2-CD1 3.78Å; L32-L61 HydrophobicContact CB-CD1 4.12Å; L32-L61 HydrophobicContact CD2-CB 4.01Å; L32-L61 HydrophobicContact CD2-CD1 4.42Å; C44-L61 HydrophobicContact CB-CD2 4.4Å; C44-L61 VanDerWaalsContact SG-CD2 3.56Å; T46-L61 HydrophobicContact CG2-CD1 4.21Å; T46-L61 HydrophobicContact CG2-CD2 3.94Å; T46-L61 HydrophobicContact CG2-CG 4.33Å; L61-F75 HydrophobicContact CD1-CE1 4.46Å
62R92.3Very high90.1Very high168 Ų16848.2 Ų48.263%0.63426%0.256SS*.EExtended strand (participates in β ladder)trans-102.9133-172.5-64.2-176175.1169.8-0.8111.3V8 E9 I133V8-R62 WeakPolarHBondContact O-CA 3.4Å; E9-R62 IonicContact OE2-CZ 3.51Å; E9-R62 IonicContact OE2-NE 3.34Å; E9-R62 PolarHBondContact OE2-NE 3.38Å; E9-R62 IonicContact OE2-NH2 3.75Å; R62-I133 HydrophobicContact CG-CD1 3.95Å
63V92.9Very high90.7Very high6 Ų646.7 Ų46.74%0.03625%0.247CC..EExtended strand (participates in β ladder)trans-135.8137.5-179.5-168.40000109.8V8 L10 L32 L43 L100V8-V63 PolarHBondContact N-O 2.85Å; V8-V63 PolarHBondContact O-N 3.32Å; L10-V63 HydrophobicContact CD1-CG2 3.97Å; L32-V63 HydrophobicContact CD2-CG2 3.67Å; L43-V63 HydrophobicContact CD1-CG1 4.49Å; L43-V63 HydrophobicContact CD1-CG2 4.35Å; V63-L100 HydrophobicContact CB-CD2 4.31Å; V63-L100 HydrophobicContact CG1-CD2 3.86Å
64D92Very high91.1Very high70 Ų7047.9 Ų47.937%0.37425%0.249SC..EExtended strand (participates in β ladder)trans-75.9128.1171.3-71.1-19.8000109.7V5 K7 Q71V5-D64 HydrophobicContact CG1-CB 3.62Å; K7-D64 WeakPolarHBondContact CE-OD1 3.48Å; K7-D64 WeakPolarHBondContact CG-OD1 3.39Å; K7-D64 IonicContact NZ-OD1 2.93Å; K7-D64 PolarHBondContact NZ-OD1 3.14Å; K7-D64 IonicContact NZ-OD2 3.23Å; D64-Q71 PolarHBondContact O-NE2 2.87Å
65Y91.8Very high91.5Very high9 Ų945.1 Ų45.14%0.03523%0.229CC..EExtended strand (participates in β ladder)trans-103.2130.3-176.1170.9-96.8000111.6S6 V8 F67 L100 V104 F277 L278 Y333S6-Y65 PolarHBondContact N-O 2.94Å; S6-Y65 WeakPolarHBondContact O-CB 3.36Å; S6-Y65 PolarHBondContact O-N 2.92Å; V8-Y65 HydrophobicContact CG2-CG 4.34Å; Y65-F67 HydrophobicContact CE1-CB 3.99Å; Y65-F67 WeakPolarHBondContact OH-CA 3.41Å; Y65-L100 HydrophobicContact CD2-CD2 3.84Å; Y65-L100 HydrophobicContact CD2-CG 4.06Å; Y65-L100 HydrophobicContact CG-CD2 4.47Å; Y65-V104 HydrophobicContact CE2-CG2 3.89Å; Y65-F277 WeakPolarHBondContact OH-CE1 3.42Å; Y65-L278 HydrophobicContact CD1-CD1 3.71Å; Y65-L278 HydrophobicContact CD1-CD2 4.05Å; Y65-L278 HydrophobicContact CD1-CG 4Å; Y65-L278 HydrophobicContact CD2-CD2 4.48Å; Y65-L278 HydrophobicContact CE1-CD1 4.06Å; Y65-L278 HydrophobicContact CE1-CD2 3.58Å; Y65-L278 HydrophobicContact CE1-CG 3.81Å; Y65-L278 HydrophobicContact CE2-CD2 4.09Å; Y65-L278 HydrophobicContact CG-CD1 4.08Å; Y65-L278 HydrophobicContact CG-CD2 4.45Å; Y65-Y333 WeakPolarHBondContact CE2-OH 3.21Å; Y65-Y333 WeakPolarHBondContact OH-CE1 3.49Å; Y65-Y333 VanDerWaalsContact OH-CZ 3.3Å; Y65-Y333 PolarHBondContact OH-OH 3.15Å
66H90.4Very high91.8Very high55 Ų5545 Ų4526%0.25523%0.228SC..  trans-129.7106.3177.7-55.582.2000107.9V5 E68 T69 Q71V5-H66 VanDerWaalsContact CG2-NE2 3.33Å; V5-H66 WeakPolarHBondContact CG2-NE2 3.36Å; H66-E68 PolarHBondContact O-N 3.45Å; H66-E68 VanDerWaalsContact O-N 3.16Å; H66-T69 HydrophobicContact CB-CG2 4.04Å; H66-T69 WeakPolarHBondContact CB-OG1 3.42Å; H66-T69 PolarHBondContact O-N 3.08Å; H66-T69 VanDerWaalsContact O-N 3.14Å; H66-T69 PolarHBondContact O-OG1 2.96Å; H66-Q71 PolarHBondContact O-OE1 3.11Å
67F88.6Confident92Very high9 Ų940.7 Ų40.74%0.03920%0.198CC..THydrogen-bonded Turntrans-52.4-40-176.8166.2-111.1000111.9Y65 T69 F277 I287 V329 Y333 L506 V509 P510Y65-F67 HydrophobicContact CE1-CB 3.99Å; Y65-F67 WeakPolarHBondContact OH-CA 3.41Å; F67-T69 PolarHBondContact O-N 3Å; F67-F277 HydrophobicContact CD2-CD1 4.42Å; F67-F277 AromaticContact CD2-CE1 3.46Å; F67-F277 HydrophobicContact CD2-CE1 3.46Å; F67-F277 VanDerWaalsContact CD2-CE1 3.46Å; F67-F277 HydrophobicContact CD2-CE2 4.47Å; F67-F277 AromaticContact CD2-CZ 3.47Å; F67-F277 HydrophobicContact CD2-CZ 3.47Å; F67-F277 VanDerWaalsContact CD2-CZ 3.47Å; F67-F277 AromaticContact CE2-CE1 3.92Å; F67-F277 HydrophobicContact CE2-CE1 3.92Å; F67-F277 HydrophobicContact CE2-CE2 4.26Å; F67-F277 AromaticContact CE2-CZ 3.41Å; F67-F277 HydrophobicContact CE2-CZ 3.41Å; F67-F277 VanDerWaalsContact CE2-CZ 3.41Å; F67-F277 HydrophobicContact CG-CE1 4.18Å; F67-F277 HydrophobicContact CG-CZ 4.34Å; F67-F277 HydrophobicContact CZ-CZ 4.22Å; F67-I287 HydrophobicContact CE2-CD1 4.33Å; F67-V329 WeakPolarHBondContact O-CG1 3.44Å; F67-Y333 HydrophobicContact CD2-CD2 4.44Å; F67-Y333 HydrophobicContact CD2-CE1 4.18Å; F67-Y333 AromaticContact CD2-CE2 3.74Å; F67-Y333 HydrophobicContact CD2-CE2 3.74Å; F67-Y333 AromaticContact CD2-CZ 3.6Å; F67-Y333 AromaticContact CE2-CD2 3.85Å; F67-Y333 HydrophobicContact CE2-CD2 3.85Å; F67-Y333 HydrophobicContact CE2-CE1 4.35Å; F67-Y333 AromaticContact CE2-CE2 3.57Å; F67-Y333 HydrophobicContact CE2-CE2 3.57Å; F67-Y333 HydrophobicContact CE2-CG 4.36Å; F67-Y333 AromaticContact CE2-CZ 3.85Å; F67-L506 HydrophobicContact CD1-CB 4.11Å; F67-L506 HydrophobicContact CE1-CB 3.71Å; F67-L506 HydrophobicContact CE1-CD1 4.48Å; F67-L506 HydrophobicContact CE1-CD2 4.19Å; F67-L506 HydrophobicContact CE1-CG 4.35Å; F67-L506 WeakPolarHBondContact CE1-O 3.27Å; F67-L506 HydrophobicContact CZ-CD2 4.46Å; F67-V509 HydrophobicContact CE1-CB 3.92Å; F67-V509 HydrophobicContact CE1-CG1 4.27Å; F67-V509 HydrophobicContact CZ-CB 4.3Å; F67-V509 HydrophobicContact CZ-CG1 4.14Å; F67-P510 HydrophobicContact CB-CG 4.07Å; F67-P510 HydrophobicContact CD1-CG 3.36Å; F67-P510 HydrophobicContact CE1-CG 3.89Å; F67-P510 HydrophobicContact CG-CG 3.74Å
68E86.8Confident92Very high29 Ų2942.5 Ų42.514%0.13621%0.205CC..THydrogen-bonded Turntrans-781.7-173.272.1-90-15300115.2H66 V329 Q503 L506H66-E68 PolarHBondContact O-N 3.45Å; H66-E68 VanDerWaalsContact O-N 3.16Å; E68-V329 WeakPolarHBondContact O-CG2 3.41Å; E68-Q503 HydrophobicContact CB-CB 4.31Å; E68-Q503 HydrophobicContact CG-CB 3.74Å; E68-Q503 HydrophobicContact CG-CG 3.79Å; E68-Q503 PolarHBondContact OE1-NE2 3.2Å; E68-L506 HydrophobicContact CB-CB 4.14Å
69T86.8Confident92.1Very high42 Ų4238.2 Ų38.226%0.25818%0.175SC..SBendtrans-125.6142.9-176.671.80000112.5H66 F67 Q71H66-T69 HydrophobicContact CB-CG2 4.04Å; H66-T69 WeakPolarHBondContact CB-OG1 3.42Å; H66-T69 PolarHBondContact O-N 3.08Å; H66-T69 VanDerWaalsContact O-N 3.14Å; H66-T69 PolarHBondContact O-OG1 2.96Å; F67-T69 PolarHBondContact O-N 3Å; T69-Q71 PolarHBondContact O-N 3.21Å; T69-Q71 WeakPolarHBondContact OG1-CG 3.21Å
70V90.3Very high91.8Very high50 Ų5034.3 Ų34.330%0.30316%0.157SC..  trans-81.395.4168.5-1740000109.1N72 T99 Q328 V329V70-N72 PolarHBondContact O-N 3.25Å; V70-N72 PolarHBondContact O-ND2 2.98Å; V70-T99 HydrophobicContact CG1-CG2 3.69Å; V70-Q328 HydrophobicContact CG2-CB 4.09Å; V70-Q328 WeakPolarHBondContact CG2-O 3.42Å; V70-V329 HydrophobicContact CG2-CG2 3.84Å
71Q92.8Very high91Very high11 Ų1133.7 Ų33.75%0.05116%0.161CC..  trans-87.594.2178.6-60.4178.9-112.900110.5D64 H66 T69 L73 T99 L100D64-Q71 PolarHBondContact O-NE2 2.87Å; H66-Q71 PolarHBondContact O-OE1 3.11Å; T69-Q71 PolarHBondContact O-N 3.21Å; T69-Q71 WeakPolarHBondContact OG1-CG 3.21Å; Q71-L73 PolarHBondContact O-N 2.74Å; Q71-T99 CarbonylContact O-C 3.57Å; Q71-T99 VanDerWaalsContact O-CA 3.31Å; Q71-T99 WeakPolarHBondContact O-CA 3.2Å; Q71-L100 HydrophobicContact CB-CB 3.89Å; Q71-L100 PolarHBondContact O-N 3.09Å
72N95.3Very high89.7Confident63 Ų6335.8 Ų35.834%0.33717%0.172SC..EExtended strand (participates in β ladder)trans-74.4124.1178.8-66.2-79.8000111Q34 K35 W40 V70Q34-N72 WeakPolarHBondContact CA-O 3.24Å; K35-N72 HydrophobicContact CB-CB 3.81Å; K35-N72 PolarHBondContact N-O 2.86Å; W40-N72 HydrophobicContact CH2-CB 4.08Å; V70-N72 PolarHBondContact O-N 3.25Å; V70-N72 PolarHBondContact O-ND2 2.98Å
73L97Very high88.2Confident1 Ų133.9 Ų33.91%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-117.2147.8179.2-58.9-178.5000110.8L10 L32 L33 Q34 Q71 F75 E97 L98 L100 I103L10-L73 HydrophobicContact CD1-CD1 4.07Å; L32-L73 HydrophobicContact CD1-CB 4.06Å; L32-L73 HydrophobicContact CD1-CD1 4.31Å; L32-L73 HydrophobicContact CD1-CD2 4.2Å; L32-L73 HydrophobicContact CD1-CG 4.41Å; L33-L73 CarbonylContact O-C 3.53Å; L33-L73 WeakPolarHBondContact O-CA 3.38Å; Q34-L73 HydrophobicContact CB-CD2 3.96Å; Q34-L73 HydrophobicContact CG-CD2 4.05Å; Q71-L73 PolarHBondContact O-N 2.74Å; L73-F75 HydrophobicContact CB-CE2 3.98Å; L73-F75 HydrophobicContact CD1-CE2 4.49Å; L73-F75 HydrophobicContact CD1-CZ 4.34Å; L73-E97 WeakPolarHBondContact O-CA 3.24Å; L73-L98 CarbonylContact C-O 3.45Å; L73-L98 WeakPolarHBondContact CA-O 3.32Å; L73-L98 WeakPolarHBondContact CB-O 3.4Å; L73-L98 PolarHBondContact N-O 3.38Å; L73-L98 PolarHBondContact O-N 2.87Å; L73-L100 HydrophobicContact CD1-CB 3.99Å; L73-L100 HydrophobicContact CD1-CD1 4.04Å; L73-L100 HydrophobicContact CG-CB 4.48Å; L73-I103 HydrophobicContact CD1-CD1 3.99Å
74K96.7Very high86.7Confident52 Ų5237.1 Ų37.123%0.22621%0.205CC..EExtended strand (participates in β ladder)trans-130.1127.2172.8179.2172.8-171.3144.40109.5L32 L33 W40 A96 E97L32-K74 WeakPolarHBondContact CA-O 3.43Å; L33-K74 HydrophobicContact CB-CB 4.29Å; L33-K74 HydrophobicContact CD1-CB 4.32Å; L33-K74 HydrophobicContact CD1-CD 4.44Å; L33-K74 HydrophobicContact CD1-CG 4.22Å; L33-K74 PolarHBondContact N-O 3.23Å; L33-K74 PolarHBondContact O-N 3.06Å; W40-K74 HydrophobicContact CD2-CB 4.48Å; W40-K74 HydrophobicContact CE3-CB 3.86Å; W40-K74 HydrophobicContact CH2-CB 3.8Å; W40-K74 HydrophobicContact CZ2-CB 4.41Å; W40-K74 HydrophobicContact CZ3-CB 3.5Å; W40-K74 VanDerWaalsContact CZ3-CB 3.5Å; K74-A96 WeakPolarHBondContact CA-O 3.11Å; K74-E97 HydrophobicContact CB-CG 4.04Å; K74-E97 HydrophobicContact CD-CG 4.09Å; K74-E97 WeakPolarHBondContact CE-OE1 3.39Å; K74-E97 HydrophobicContact CG-CG 3.87Å; K74-E97 IonicContact NZ-OE1 2.8Å; K74-E97 PolarHBondContact NZ-OE1 2.89Å
75F97.3Very high85.3Confident0 Ų038.3 Ų38.30%022%0.219CC..EExtended strand (participates in β ladder)trans-105.2106.1174.6-60.5-98000107.7L10 V12 V31 L32 L61 L73 G95 A96 I103 I126 I128L10-F75 HydrophobicContact CD1-CE1 4.31Å; L10-F75 HydrophobicContact CD1-CZ 3.95Å; V12-F75 HydrophobicContact CG2-CD1 4.07Å; V12-F75 HydrophobicContact CG2-CE1 4.07Å; V31-F75 WeakPolarHBondContact O-CA 3.44Å; L32-F75 HydrophobicContact CD1-CD1 4.09Å; L32-F75 HydrophobicContact CD1-CE1 3.72Å; L32-F75 HydrophobicContact CD1-CE2 4.17Å; L32-F75 HydrophobicContact CD1-CG 4.48Å; L32-F75 HydrophobicContact CD1-CZ 3.75Å; L61-F75 HydrophobicContact CD1-CE1 4.46Å; L73-F75 HydrophobicContact CB-CE2 3.98Å; L73-F75 HydrophobicContact CD1-CE2 4.49Å; L73-F75 HydrophobicContact CD1-CZ 4.34Å; F75-G95 CarbonylContact O-C 3.23Å; F75-G95 WeakPolarHBondContact O-CA 3.36Å; F75-A96 PolarHBondContact N-O 3.36Å; F75-A96 PolarHBondContact O-N 2.81Å; F75-I103 HydrophobicContact CE2-CD1 3.85Å; F75-I103 HydrophobicContact CZ-CD1 3.85Å; F75-I126 HydrophobicContact CB-CD1 3.55Å; F75-I126 HydrophobicContact CD1-CD1 4.38Å; F75-I126 HydrophobicContact CG-CD1 4.11Å; F75-I128 HydrophobicContact CD1-CG1 4.2Å; F75-I128 HydrophobicContact CD2-CG1 4.47Å; F75-I128 HydrophobicContact CE1-CG1 3.98Å; F75-I128 HydrophobicContact CE1-CG2 4.21Å; F75-I128 HydrophobicContact CE2-CG1 4.3Å; F75-I128 HydrophobicContact CG-CG1 4.44Å; F75-I128 HydrophobicContact CZ-CG1 4.04Å; F75-I128 HydrophobicContact CZ-CG2 4.07Å
76G95.9Very high84.1Confident0 Ų042.3 Ų42.30%024%0.241CC..EExtended strand (participates in β ladder)trans-98.7129.4174.500000110.5C30 V31C30-G76 CarbonylContact C-O 3.55Å; C30-G76 WeakPolarHBondContact CA-O 3.12Å; V31-G76 PolarHBondContact N-O 2.86Å; V31-G76 PolarHBondContact O-N 2.65Å
77V95.3Very high83.2Confident0 Ų041.1 Ų41.10%024%0.236CC..EExtended strand (participates in β ladder)trans-106.9129.6176-171.30000108.6L17 P28 L29 L93 G94 L113 I126L17-V77 HydrophobicContact CD1-CG1 4.06Å; L17-V77 HydrophobicContact CD2-CG1 4.28Å; P28-V77 HydrophobicContact CB-CG1 4.26Å; L29-V77 WeakPolarHBondContact O-CA 3.45Å; V77-L93 HydrophobicContact CB-CB 4.38Å; V77-L93 HydrophobicContact CG1-CB 4.25Å; V77-L93 HydrophobicContact CG1-CD1 4.23Å; V77-L93 PolarHBondContact O-N 3.01Å; V77-G94 PolarHBondContact N-O 2.88Å; V77-G94 PolarHBondContact O-N 2.89Å; V77-L113 HydrophobicContact CG2-CD2 4.05Å; V77-I126 HydrophobicContact CG2-CD1 4.4Å
78Y92.8Very high82.2Confident43 Ų4345.5 Ų45.517%0.16926%0.264CS..EExtended strand (participates in β ladder)trans-127.4146.8-175.1-63.6-97.1000110.3P28 L29 V31 L87 D91 Y92P28-Y78 CarbonylContact C-O 3.57Å; P28-Y78 VanDerWaalsContact CA-O 3.29Å; P28-Y78 WeakPolarHBondContact CA-O 3.5Å; L29-Y78 PolarHBondContact N-O 3.05Å; L29-Y78 PolarHBondContact O-N 3.26Å; V31-Y78 HydrophobicContact CB-CE2 4.15Å; V31-Y78 HydrophobicContact CG2-CD2 3.8Å; V31-Y78 HydrophobicContact CG2-CE2 3.81Å; Y78-L87 HydrophobicContact CD1-CB 4.49Å; Y78-L87 HydrophobicContact CD1-CD2 4.46Å; Y78-L87 HydrophobicContact CD2-CD2 4.41Å; Y78-L87 HydrophobicContact CE1-CB 4.35Å; Y78-L87 HydrophobicContact CE2-CD1 4.27Å; Y78-L87 HydrophobicContact CG-CD2 4.19Å; Y78-D91 CarbonylContact C-O 3.57Å; Y78-D91 WeakPolarHBondContact CA-O 3.22Å; Y78-Y92 HydrophobicContact CD1-CD2 4.03Å; Y78-Y92 AromaticContact CE1-CD2 3.59Å; Y78-Y92 HydrophobicContact CE1-CD2 3.59Å; Y78-Y92 HydrophobicContact CE1-CE2 4.42Å; Y78-Y92 HydrophobicContact CE1-CG 4.38Å; Y78-Y92 HydrophobicContact CE2-CD2 4.14Å; Y78-Y92 HydrophobicContact CE2-CE2 4.31Å; Y78-Y92 HydrophobicContact CG-CD2 4.47Å; Y78-Y92 AromaticContact CZ-CD2 3.65Å
79D88.4Confident81Confident0 Ų050.1 Ų50.10%029%0.289CS..EExtended strand (participates in β ladder)trans-89.6121.1166.8-152.5-4.7000108.9S26 D27 D90 D91 L93S26-D79 VanDerWaalsContact CA-OD1 3.23Å; S26-D79 WeakPolarHBondContact CA-OD1 3.31Å; S26-D79 WeakPolarHBondContact CA-OD2 3.45Å; S26-D79 VanDerWaalsContact CB-OD1 3.28Å; S26-D79 WeakPolarHBondContact CB-OD1 3.46Å; S26-D79 WeakPolarHBondContact CB-OD2 3.14Å; S26-D79 PolarHBondContact OG-OD2 2.73Å; D27-D79 PolarHBondContact N-OD1 2.65Å; D79-D90 WeakPolarHBondContact O-CB 3.14Å; D79-D91 HydrophobicContact CB-CB 3.81Å; D79-D91 PolarHBondContact N-O 2.83Å; D79-D91 PolarHBondContact O-N 3.43Å; D79-D91 VanDerWaalsContact O-N 3.14Å; D79-L93 HydrophobicContact CB-CD1 4.02Å; D79-L93 HydrophobicContact CB-CD2 3.99Å; D79-L93 HydrophobicContact CB-CG 4.02Å
80I83.3Confident80.5Confident14 Ų1448.7 Ų48.77%0.07228%0.28CS..  trans-108.392.4-171.3-51.5-64.7000110.3D27 L29 R48 L87 D90D27-I80 PolarHBondContact O-N 3.46Å; L29-I80 HydrophobicContact CB-CD1 4.32Å; L29-I80 HydrophobicContact CB-CG1 3.71Å; L29-I80 HydrophobicContact CD1-CG1 4.43Å; R48-I80 HydrophobicContact CG-CB 4.28Å; R48-I80 PolarHBondContact NH1-O 2.84Å; I80-L87 HydrophobicContact CD1-CD2 3.72Å; I80-D90 HydrophobicContact CD1-CB 3.95Å; I80-D90 WeakPolarHBondContact CD1-OD2 3.33Å
81D71.6Confident80.1Confident86 Ų8649.1 Ų49.146%0.4628%0.281SS..  trans-85.7-14-175.8-58.1-30.9000113.5
82N65.3Low80Confident43 Ų4351.3 Ų51.323%0.2329%0.289CS..SBendtrans-122.3169.1-173.26961.7000112.7T84 D90N82-T84 VanDerWaalsContact C-N 3.32Å; N82-T84 WeakPolarHBondContact OD1-CA 3.24Å; N82-T84 WeakPolarHBondContact OD1-CB 3.32Å; N82-T84 PolarHBondContact OD1-N 2.57Å; N82-T84 PolarHBondContact OD1-O 2.88Å; N82-T84 PolarHBondContact OD1-OG1 2.98Å; N82-D90 PolarHBondContact ND2-OD1 3.34Å
83S60.7Low79.8Confident129 Ų12948.4 Ų48.490%0.90227%0.273SS*.SBendtrans-90.86.7179.853.70000113.4
84T62Low79.6Confident73 Ų7348.3 Ų48.345%0.44827%0.273SS..  trans-88.2151.7-177.479.30000110.6N82 N86N82-T84 VanDerWaalsContact C-N 3.32Å; N82-T84 WeakPolarHBondContact OD1-CA 3.24Å; N82-T84 WeakPolarHBondContact OD1-CB 3.32Å; N82-T84 PolarHBondContact OD1-N 2.57Å; N82-T84 PolarHBondContact OD1-O 2.88Å; N82-T84 PolarHBondContact OD1-OG1 2.98Å; T84-N86 VanDerWaalsContact C-N 3.26Å; T84-N86 PolarHBondContact O-N 2.96Å
85S62.7Low79.5Confident96 Ų9646 Ų4667%0.67126%0.264SS*.SBendtrans-82.2-4.3179.956.90000113.7R45R45-S85 PolarHBondContact NH1-O 3.02Å
86N66.9Low79.5Confident93 Ų9346.5 Ų46.550%0.49727%0.268SS..  trans-100.4124.6-170.2-17018.5000111T84 T88T84-N86 VanDerWaalsContact C-N 3.26Å; T84-N86 PolarHBondContact O-N 2.96Å; N86-T88 PolarHBondContact ND2-OG1 2.72Å; N86-T88 VanDerWaalsContact ND2-OG1 3.15Å; N86-T88 PolarHBondContact O-N 3.46Å
87L71.4Confident79.5Confident30 Ų3052 Ų5216%0.15729%0.293CS..THydrogen-bonded Turntrans-82.66.6-171.8-58.4165.1000114V31 Y78 I80 D89 D90V31-L87 HydrophobicContact CG1-CD1 4.46Å; V31-L87 HydrophobicContact CG2-CD1 3.64Å; V31-L87 HydrophobicContact CG2-CD2 4.45Å; Y78-L87 HydrophobicContact CD1-CB 4.49Å; Y78-L87 HydrophobicContact CD1-CD2 4.46Å; Y78-L87 HydrophobicContact CD2-CD2 4.41Å; Y78-L87 HydrophobicContact CE1-CB 4.35Å; Y78-L87 HydrophobicContact CE2-CD1 4.27Å; Y78-L87 HydrophobicContact CG-CD2 4.19Å; I80-L87 HydrophobicContact CD1-CD2 3.72Å; L87-D89 PolarHBondContact O-N 2.86Å; L87-D90 WeakPolarHBondContact CA-OD2 3.32Å
88T66.5Low79.5Confident101 Ų10152.5 Ų52.562%0.6230%0.296SS*.THydrogen-bonded Turntrans-69.2-25.6-175.852.20000113.1N86N86-T88 PolarHBondContact ND2-OG1 2.72Å; N86-T88 VanDerWaalsContact ND2-OG1 3.15Å; N86-T88 PolarHBondContact O-N 3.46Å
89D63.3Low79.6Confident125 Ų12551 Ų5167%0.66829%0.291SS*.SBendtrans-110.12.1-173-54.7-4.5000110.9L87L87-D89 PolarHBondContact O-N 2.86Å
90D75.9Confident79.9Confident13 Ų1351 Ų517%0.0729%0.291CS..SBendtrans-96.8149.4-177-66.1-30.4000111.7D79 I80 N82 L87 Y92D79-D90 WeakPolarHBondContact O-CB 3.14Å; I80-D90 HydrophobicContact CD1-CB 3.95Å; I80-D90 WeakPolarHBondContact CD1-OD2 3.33Å; N82-D90 PolarHBondContact ND2-OD1 3.34Å; L87-D90 WeakPolarHBondContact CA-OD2 3.32Å; D90-Y92 PolarHBondContact O-N 2.91Å
91D82.1Confident80.3Confident59 Ų5950.5 Ų50.532%0.31629%0.29SS..EExtended strand (participates in β ladder)trans-86.4114.1-168-118.510.4000111.7K20 Y78 D79 L93K20-D91 HydrophobicContact CB-CB 4.42Å; K20-D91 WeakPolarHBondContact CB-OD2 3.41Å; K20-D91 HydrophobicContact CG-CB 4.33Å; K20-D91 VanDerWaalsContact CG-OD2 3.27Å; K20-D91 WeakPolarHBondContact CG-OD2 3.3Å; K20-D91 VanDerWaalsContact NZ-CG 3.35Å; K20-D91 IonicContact NZ-OD1 3.58Å; K20-D91 IonicContact NZ-OD2 2.69Å; K20-D91 PolarHBondContact NZ-OD2 2.78Å; Y78-D91 CarbonylContact C-O 3.57Å; Y78-D91 WeakPolarHBondContact CA-O 3.22Å; D79-D91 HydrophobicContact CB-CB 3.81Å; D79-D91 PolarHBondContact N-O 2.83Å; D79-D91 PolarHBondContact O-N 3.43Å; D79-D91 VanDerWaalsContact O-N 3.14Å; D91-L93 PolarHBondContact O-N 2.83Å; D91-L93 VanDerWaalsContact O-N 3.15Å
92Y90.4Very high81.4Confident57 Ų5748.7 Ų48.722%0.22428%0.279CS..EExtended strand (participates in β ladder)trans-71112.8-179.4-173.9-115.4000111.7Y78 D90 G94 G95 L115Y78-Y92 HydrophobicContact CD1-CD2 4.03Å; Y78-Y92 AromaticContact CE1-CD2 3.59Å; Y78-Y92 HydrophobicContact CE1-CD2 3.59Å; Y78-Y92 HydrophobicContact CE1-CE2 4.42Å; Y78-Y92 HydrophobicContact CE1-CG 4.38Å; Y78-Y92 HydrophobicContact CE2-CD2 4.14Å; Y78-Y92 HydrophobicContact CE2-CE2 4.31Å; Y78-Y92 HydrophobicContact CG-CD2 4.47Å; Y78-Y92 AromaticContact CZ-CD2 3.65Å; D90-Y92 PolarHBondContact O-N 2.91Å; Y92-G94 WeakPolarHBondContact CE2-O 3.41Å; Y92-G94 VanDerWaalsContact OH-C 3.31Å; Y92-G95 VanDerWaalsContact OH-CA 3.3Å; Y92-G95 WeakPolarHBondContact OH-CA 3.28Å; Y92-G95 PolarHBondContact OH-N 2.91Å; Y92-G95 VanDerWaalsContact OH-N 3.07Å; Y92-L115 HydrophobicContact CD1-CD2 4.25Å; Y92-L115 WeakPolarHBondContact CE1-O 3.44Å
93L90.1Very high82.8Confident1 Ų146.7 Ų46.71%0.00527%0.268CS..EExtended strand (participates in β ladder)trans-84.3-18.5-179.6-60.5-178.8000112.6L17 L18 K20 P28 V77 D79 D91 A121L17-L93 HydrophobicContact CB-CD1 4.47Å; L17-L93 HydrophobicContact CD1-CD1 4.1Å; L18-L93 HydrophobicContact CB-CD2 4.39Å; L18-L93 WeakPolarHBondContact O-CD2 2.8Å; K20-L93 HydrophobicContact CG-CD2 3.61Å; P28-L93 HydrophobicContact CB-CD1 4.42Å; V77-L93 HydrophobicContact CB-CB 4.38Å; V77-L93 HydrophobicContact CG1-CB 4.25Å; V77-L93 HydrophobicContact CG1-CD1 4.23Å; V77-L93 PolarHBondContact O-N 3.01Å; D79-L93 HydrophobicContact CB-CD1 4.02Å; D79-L93 HydrophobicContact CB-CD2 3.99Å; D79-L93 HydrophobicContact CB-CG 4.02Å; D91-L93 PolarHBondContact O-N 2.83Å; D91-L93 VanDerWaalsContact O-N 3.15Å; L93-A121 VanDerWaalsContact O-CB 3.24Å; L93-A121 WeakPolarHBondContact O-CB 3.41Å
94G93.9Very high84.3Confident0 Ų040.5 Ų40.50%023%0.225CC..EExtended strand (participates in β ladder)trans134.9175.9177.900000112.2V77 Y92 Q114V77-G94 PolarHBondContact N-O 2.88Å; V77-G94 PolarHBondContact O-N 2.89Å; Y92-G94 WeakPolarHBondContact CE2-O 3.41Å; Y92-G94 VanDerWaalsContact OH-C 3.31Å; G94-Q114 CarbonylContact C-O 3.57Å; G94-Q114 WeakPolarHBondContact CA-O 3.45Å
95G94.8Very high85.7Confident4 Ų438.5 Ų38.54%0.04121%0.214CC..EExtended strand (participates in β ladder)trans-160.5174.5177.600000114.2F75 Y92 Q114F75-G95 CarbonylContact O-C 3.23Å; F75-G95 WeakPolarHBondContact O-CA 3.36Å; Y92-G95 VanDerWaalsContact OH-CA 3.3Å; Y92-G95 WeakPolarHBondContact OH-CA 3.28Å; Y92-G95 PolarHBondContact OH-N 2.91Å; Y92-G95 VanDerWaalsContact OH-N 3.07Å; G95-Q114 PolarHBondContact N-O 3.37Å; G95-Q114 PolarHBondContact O-N 3.47Å
96A96.2Very high86.9Confident9 Ų936.4 Ų36.47%0.07420%0.2CC..EExtended strand (participates in β ladder)trans-131.4139.1175.800000110.4K74 F75 R111 I126K74-A96 WeakPolarHBondContact CA-O 3.11Å; F75-A96 PolarHBondContact N-O 3.36Å; F75-A96 PolarHBondContact O-N 2.81Å; A96-R111 HydrophobicContact CB-CB 4.27Å; A96-I126 HydrophobicContact CB-CG2 3.64Å
97E95.5Very high88Confident115 Ų11534.9 Ų34.954%0.53719%0.188SC..EExtended strand (participates in β ladder)trans-109.3124.8172.6-67.1-178.7-166.200108.3L73 K74L73-E97 WeakPolarHBondContact O-CA 3.24Å; K74-E97 HydrophobicContact CB-CG 4.04Å; K74-E97 HydrophobicContact CD-CG 4.09Å; K74-E97 WeakPolarHBondContact CE-OE1 3.39Å; K74-E97 HydrophobicContact CG-CG 3.87Å; K74-E97 IonicContact NZ-OE1 2.8Å; K74-E97 PolarHBondContact NZ-OE1 2.89Å
98L94.9Very high89.1Confident11 Ų1136.6 Ų36.66%0.05820%0.2CC..EExtended strand (participates in β ladder)trans-145.7156.1-175.6-70.7168.9000108.7L73 I103 I109 R111 I128L73-L98 CarbonylContact C-O 3.45Å; L73-L98 WeakPolarHBondContact CA-O 3.32Å; L73-L98 WeakPolarHBondContact CB-O 3.4Å; L73-L98 PolarHBondContact N-O 3.38Å; L73-L98 PolarHBondContact O-N 2.87Å; L98-I103 HydrophobicContact CB-CD1 4.32Å; L98-I103 HydrophobicContact CB-CG1 4.26Å; L98-I103 HydrophobicContact CD1-CG1 4.23Å; L98-I109 HydrophobicContact CD1-CD1 4.1Å; L98-I109 HydrophobicContact CD1-CG1 4.5Å; L98-I109 HydrophobicContact CD1-CG2 3.99Å; L98-I109 HydrophobicContact CD2-CD1 3.81Å; L98-R111 HydrophobicContact CD1-CG 4.14Å; L98-R111 HydrophobicContact CD2-CG 4.08Å; L98-R111 HydrophobicContact CG-CG 4.48Å; L98-I128 HydrophobicContact CD1-CD1 4Å
99T95.1Very high90.4Very high11 Ų1132 Ų327%0.06717%0.172CC..EExtended strand (participates in β ladder)trans-87151.6167.268.70000110.2V70 Q71 G101 Q102 I103 D332V70-T99 HydrophobicContact CG1-CG2 3.69Å; Q71-T99 CarbonylContact O-C 3.57Å; Q71-T99 VanDerWaalsContact O-CA 3.31Å; Q71-T99 WeakPolarHBondContact O-CA 3.2Å; T99-G101 PolarHBondContact O-N 2.78Å; T99-Q102 PolarHBondContact O-N 2.84Å; T99-Q102 VanDerWaalsContact OG1-CD 3.31Å; T99-Q102 WeakPolarHBondContact OG1-CG 3.45Å; T99-Q102 PolarHBondContact OG1-N 2.84Å; T99-Q102 VanDerWaalsContact OG1-N 3.14Å; T99-I103 WeakPolarHBondContact O-CG1 3.23Å; T99-I103 PolarHBondContact O-N 2.9Å; T99-D332 VanDerWaalsContact CB-OD2 3.26Å; T99-D332 WeakPolarHBondContact CB-OD2 3.42Å; T99-D332 WeakPolarHBondContact CG2-OD2 3.48Å; T99-D332 PolarHBondContact OG1-OD2 3.47Å
100L95.2Very high91.9Very high0 Ų029.4 Ų29.40%016%0.161CC..Hα-helixtrans-59-36.2172.8-175.456.9000111.1V8 L10 V63 Y65 Q71 L73 Q102 I103 V104V8-L100 HydrophobicContact CG1-CD1 4.4Å; L10-L100 HydrophobicContact CD1-CD1 4.38Å; L10-L100 HydrophobicContact CD2-CD1 4.23Å; V63-L100 HydrophobicContact CB-CD2 4.31Å; V63-L100 HydrophobicContact CG1-CD2 3.86Å; Y65-L100 HydrophobicContact CD2-CD2 3.84Å; Y65-L100 HydrophobicContact CD2-CG 4.06Å; Y65-L100 HydrophobicContact CG-CD2 4.47Å; Q71-L100 HydrophobicContact CB-CB 3.89Å; Q71-L100 PolarHBondContact O-N 3.09Å; L73-L100 HydrophobicContact CD1-CB 3.99Å; L73-L100 HydrophobicContact CD1-CD1 4.04Å; L73-L100 HydrophobicContact CG-CB 4.48Å; L100-Q102 PolarHBondContact O-N 2.84Å; L100-I103 PolarHBondContact O-N 3.01Å; L100-V104 HydrophobicContact CD1-CG1 4.09Å; L100-V104 HydrophobicContact CG-CG1 4.3Å; L100-V104 WeakPolarHBondContact O-CG2 3.45Å; L100-V104 PolarHBondContact O-N 3.27Å
101G92.8Very high92.9Very high5 Ų534 Ų345%0.05218%0.177CC..Hα-helixtrans-53.7-47.3174.200000113T99 I103 V104 S105T99-G101 PolarHBondContact O-N 2.78Å; G101-I103 VanDerWaalsContact C-N 3.33Å; G101-I103 PolarHBondContact O-N 2.94Å; G101-V104 VanDerWaalsContact O-CG2 3.31Å; G101-V104 WeakPolarHBondContact O-CG2 3.47Å; G101-V104 PolarHBondContact O-N 3.39Å; G101-S105 WeakPolarHBondContact O-CB 3.15Å; G101-S105 PolarHBondContact O-N 3.28Å; G101-S105 PolarHBondContact O-OG 2.72Å; G101-S105 VanDerWaalsContact O-OG 3.09Å
102Q93.1Very high93.6Very high48 Ų4835.1 Ų35.122%0.22419%0.188CC..Hα-helixtrans-63.2-37.3177.5-73.6163.71.900113.2T99 L100 S105 S106 D332T99-Q102 PolarHBondContact O-N 2.84Å; T99-Q102 VanDerWaalsContact OG1-CD 3.31Å; T99-Q102 WeakPolarHBondContact OG1-CG 3.45Å; T99-Q102 PolarHBondContact OG1-N 2.84Å; T99-Q102 VanDerWaalsContact OG1-N 3.14Å; L100-Q102 PolarHBondContact O-N 2.84Å; Q102-S105 PolarHBondContact O-OG 3.11Å; Q102-S106 WeakPolarHBondContact O-CB 3.17Å; Q102-S106 PolarHBondContact O-N 3.12Å; Q102-S106 PolarHBondContact O-OG 3.4Å; Q102-S106 VanDerWaalsContact O-OG 3.07Å; Q102-D332 HydrophobicContact CG-CB 4.2Å; Q102-D332 WeakPolarHBondContact CG-OD1 3.5Å; Q102-D332 PolarHBondContact NE2-OD1 3.47Å
103I94.7Very high93.8Very high0 Ų032.5 Ų32.50%018%0.177CC..Hα-helixtrans-70.6-47.3-179.5-56.2167.5000109.5L10 L73 F75 L98 T99 L100 G101 S106 K107 I109 I128 A130L10-I103 HydrophobicContact CD2-CG2 4.03Å; L73-I103 HydrophobicContact CD1-CD1 3.99Å; F75-I103 HydrophobicContact CE2-CD1 3.85Å; F75-I103 HydrophobicContact CZ-CD1 3.85Å; L98-I103 HydrophobicContact CB-CD1 4.32Å; L98-I103 HydrophobicContact CB-CG1 4.26Å; L98-I103 HydrophobicContact CD1-CG1 4.23Å; T99-I103 WeakPolarHBondContact O-CG1 3.23Å; T99-I103 PolarHBondContact O-N 2.9Å; L100-I103 PolarHBondContact O-N 3.01Å; G101-I103 VanDerWaalsContact C-N 3.33Å; G101-I103 PolarHBondContact O-N 2.94Å; I103-S106 PolarHBondContact O-N 2.76Å; I103-K107 WeakPolarHBondContact O-CA 3.48Å; I103-K107 PolarHBondContact O-N 2.95Å; I103-I109 HydrophobicContact CB-CG2 4.44Å; I103-I109 HydrophobicContact CG1-CG2 4.11Å; I103-I109 HydrophobicContact CG2-CG2 4.19Å; I103-I128 HydrophobicContact CD1-CG2 4.33Å; I103-I128 HydrophobicContact CG2-CB 4.43Å; I103-I128 HydrophobicContact CG2-CG2 3.8Å; I103-A130 HydrophobicContact CG2-CB 3.85Å
104V93.3Very high94Very high0 Ų035.7 Ų35.70%019%0.192CC..Hα-helixtrans-70.1-32.1-179.1-58.20000112.6V8 Y65 L100 G101 K107 A130 L278 M282 Y333V8-V104 HydrophobicContact CG1-CG1 4.21Å; V8-V104 HydrophobicContact CG2-CG1 4.15Å; Y65-V104 HydrophobicContact CE2-CG2 3.89Å; L100-V104 HydrophobicContact CD1-CG1 4.09Å; L100-V104 HydrophobicContact CG-CG1 4.3Å; L100-V104 WeakPolarHBondContact O-CG2 3.45Å; L100-V104 PolarHBondContact O-N 3.27Å; G101-V104 VanDerWaalsContact O-CG2 3.31Å; G101-V104 WeakPolarHBondContact O-CG2 3.47Å; G101-V104 PolarHBondContact O-N 3.39Å; V104-K107 PolarHBondContact O-N 2.89Å; V104-A130 HydrophobicContact CG1-CB 4.26Å; V104-L278 HydrophobicContact CB-CD2 3.95Å; V104-L278 HydrophobicContact CG1-CD2 4.29Å; V104-L278 HydrophobicContact CG2-CD2 3.87Å; V104-M282 HydrophobicContact CB-CE 3.82Å; V104-M282 HydrophobicContact CG1-CE 3.68Å; V104-M282 VanDerWaalsContact O-CG 3.27Å; V104-M282 WeakPolarHBondContact O-CG 3.47Å; V104-Y333 HydrophobicContact CG2-CE1 4.15Å
105S90.5Very high93.9Very high30 Ų3038.1 Ų38.121%0.2121%0.205CC..Hα-helixtrans-70.1-33.2176.265.90000113.1G101 Q102 D332G101-S105 WeakPolarHBondContact O-CB 3.15Å; G101-S105 PolarHBondContact O-N 3.28Å; G101-S105 PolarHBondContact O-OG 2.72Å; G101-S105 VanDerWaalsContact O-OG 3.09Å; Q102-S105 PolarHBondContact O-OG 3.11Å; S105-D332 VanDerWaalsContact CB-O 3.3Å; S105-D332 WeakPolarHBondContact CB-O 3.4Å; S105-D332 PolarHBondContact OG-O 3.25Å
106S89.1Confident93.6Very high53 Ų5345.5 Ų45.537%0.37124%0.236SC..Hα-helixtrans-86.9-17.8175.8-56.10000113.1Q102 I103 T108Q102-S106 WeakPolarHBondContact O-CB 3.17Å; Q102-S106 PolarHBondContact O-N 3.12Å; Q102-S106 PolarHBondContact O-OG 3.4Å; Q102-S106 VanDerWaalsContact O-OG 3.07Å; I103-S106 PolarHBondContact O-N 2.76Å; S106-T108 PolarHBondContact O-N 3.46Å
107K89.6Confident93.1Very high60 Ų6053.5 Ų53.526%0.26127%0.269SS..SBendtrans59.4-51.8-164.5-168.5-172.8-175.5177.40114I103 V104 T129 A130 M282I103-K107 WeakPolarHBondContact O-CA 3.48Å; I103-K107 PolarHBondContact O-N 2.95Å; V104-K107 PolarHBondContact O-N 2.89Å; K107-T129 CarbonylContact O-C 3.18Å; K107-T129 VanDerWaalsContact O-CA 3.29Å; K107-T129 WeakPolarHBondContact O-CA 3.47Å; K107-A130 PolarHBondContact O-N 3.15Å; K107-M282 HydrophobicContact CB-CB 4.45Å; K107-M282 HydrophobicContact CG-CB 4.44Å
108T93.4Very high92.6Very high66 Ų6654.3 Ų54.341%0.40528%0.277SS..EExtended strand (participates in β ladder)trans-124.1128.1173.7-62.50000109.4S106 T127 I128 T129S106-T108 PolarHBondContact O-N 3.46Å; T108-T127 HydrophobicContact CG2-CG2 3.78Å; T108-I128 CarbonylContact C-O 3.58Å; T108-I128 WeakPolarHBondContact CA-O 3.11Å; T108-T129 WeakPolarHBondContact CG2-OG1 3.39Å; T108-T129 WeakPolarHBondContact OG1-CG2 3.49Å; T108-T129 PolarHBondContact OG1-OG1 3.44Å
109I94.1Very high92.5Very high4 Ų459.4 Ų59.42%0.02130%0.299CS..EExtended strand (participates in β ladder)trans-133.1128-177.6-172.1166.1000110.2L98 I103 R111 T127 I128L98-I109 HydrophobicContact CD1-CD1 4.1Å; L98-I109 HydrophobicContact CD1-CG1 4.5Å; L98-I109 HydrophobicContact CD1-CG2 3.99Å; L98-I109 HydrophobicContact CD2-CD1 3.81Å; I103-I109 HydrophobicContact CB-CG2 4.44Å; I103-I109 HydrophobicContact CG1-CG2 4.11Å; I103-I109 HydrophobicContact CG2-CG2 4.19Å; I109-R111 VanDerWaalsContact CD1-CZ 3.49Å; I109-R111 HydrophobicContact CG1-CG 4.29Å; I109-T127 WeakPolarHBondContact O-CA 3.18Å; I109-I128 HydrophobicContact CG2-CB 4.01Å; I109-I128 HydrophobicContact CG2-CD1 4.33Å; I109-I128 PolarHBondContact N-O 3.39Å; I109-I128 PolarHBondContact O-N 2.96Å
110T96Very high92.4Very high72 Ų7263 Ų6344%0.44232%0.323SS..EExtended strand (participates in β ladder)trans-108.6133.2173.2-55.90000109.6I126 T127T110-I126 CarbonylContact C-O 3.49Å; T110-I126 WeakPolarHBondContact CA-O 3.39Å; T110-T127 WeakPolarHBondContact CG2-OG1 3.36Å; T110-T127 PolarHBondContact OG1-OG1 3.19Å
111R96Very high92.2Very high108 Ų10863.1 Ų63.141%0.40832%0.323SS..EExtended strand (participates in β ladder)trans-134.5146.4177.8-69.4-65.4178.6-100.88.2111.2A96 L98 I109 S125 I126A96-R111 HydrophobicContact CB-CB 4.27Å; L98-R111 HydrophobicContact CD1-CG 4.14Å; L98-R111 HydrophobicContact CD2-CG 4.08Å; L98-R111 HydrophobicContact CG-CG 4.48Å; I109-R111 VanDerWaalsContact CD1-CZ 3.49Å; I109-R111 HydrophobicContact CG1-CG 4.29Å; R111-S125 CarbonylContact O-C 3.54Å; R111-S125 VanDerWaalsContact O-CA 3.31Å; R111-S125 WeakPolarHBondContact O-CA 3.33Å; R111-I126 HydrophobicContact CB-CG2 4.37Å; R111-I126 PolarHBondContact N-O 3.47Å; R111-I126 PolarHBondContact O-N 2.8Å
112P96.1Very high92.1Very high83 Ų8365.2 Ų65.254%0.53935%0.345SS..EExtended strand (participates in β ladder)trans-65.4140169.229-33.7000109.7
113L95.7Very high92.1Very high2 Ų271.8 Ų71.81%0.0137%0.373CS..EExtended strand (participates in β ladder)trans-73.5141.8173.5-74.3168.2000110.3L17 V77 A121 G124 I126L17-L113 HydrophobicContact CD2-CD1 3.27Å; V77-L113 HydrophobicContact CG2-CD2 4.05Å; L113-A121 HydrophobicContact CB-CB 3.89Å; L113-A121 WeakPolarHBondContact O-CB 3.13Å; L113-A121 PolarHBondContact O-N 2.8Å; L113-G124 PolarHBondContact N-O 2.67Å; L113-I126 HydrophobicContact CD2-CB 3.85Å; L113-I126 HydrophobicContact CD2-CG2 3.78Å; L113-I126 HydrophobicContact CG-CB 4.22Å; L113-I126 HydrophobicContact CG-CG2 4.28Å
114Q95.1Very high92Very high69 Ų6972 Ų7232%0.32237%0.374SS..EExtended strand (participates in β ladder)trans-123.7134.6179-62.9-171.2-7.900111.1G94 G95 K119G94-Q114 CarbonylContact C-O 3.57Å; G94-Q114 WeakPolarHBondContact CA-O 3.45Å; G95-Q114 PolarHBondContact N-O 3.37Å; G95-Q114 PolarHBondContact O-N 3.47Å; Q114-K119 CarbonylContact C-O 3.06Å; Q114-K119 WeakPolarHBondContact CA-O 3.32Å
115L91.1Very high92.2Very high50 Ų5072.9 Ų72.926%0.26238%0.381SS..EExtended strand (participates in β ladder)trans-74.6-36.5172.9-67.9174.7000111L18 Y92 K119 A121L18-L115 HydrophobicContact CD1-CD2 4.35Å; Y92-L115 HydrophobicContact CD1-CD2 4.25Å; Y92-L115 WeakPolarHBondContact CE1-O 3.44Å; L115-K119 HydrophobicContact CB-CD 4.45Å; L115-K119 PolarHBondContact N-O 2.78Å; L115-A121 HydrophobicContact CD2-CB 3.95Å; L115-A121 HydrophobicContact CG-CB 3.79Å
116K88.4Confident92.5Very high159 Ų15971.4 Ų71.469%0.69137%0.371SS*.EExtended strand (participates in β ladder)trans-150.7167.6174.1-62.6-172-179.3-177.10107.5D118 K119K116-D118 PolarHBondContact O-N 3.11Å; K116-D118 VanDerWaalsContact O-N 3.17Å; K116-K119 HydrophobicContact CB-CB 4.31Å; K116-K119 PolarHBondContact O-N 3.24Å
117K84.9Confident92.9Very high178 Ų17870 Ų7077%0.77436%0.36SS*.THydrogen-bonded Turntrans-46.6125.1174.3-169.4-178.5175.8177.70110.3K119K117-K119 PolarHBondContact O-N 2.98Å; K117-K119 VanDerWaalsContact O-N 3.14Å
118D86.3Confident93.2Very high131 Ų13167.1 Ų67.170%0.70135%0.347SS*.THydrogen-bonded Turntrans61.815.4179.7-50.3-44.6000115.6K116K116-D118 PolarHBondContact O-N 3.11Å; K116-D118 VanDerWaalsContact O-N 3.17Å
119K92.4Very high93.3Very high118 Ų11865.4 Ų65.451%0.51334%0.337SS..EExtended strand (participates in β ladder)trans-116.8102174.4-172179.4-179.6-177.70110.7Q114 L115 K116 K117Q114-K119 CarbonylContact C-O 3.06Å; Q114-K119 WeakPolarHBondContact CA-O 3.32Å; L115-K119 HydrophobicContact CB-CD 4.45Å; L115-K119 PolarHBondContact N-O 2.78Å; K116-K119 HydrophobicContact CB-CB 4.31Å; K116-K119 PolarHBondContact O-N 3.24Å; K117-K119 PolarHBondContact O-N 2.98Å; K117-K119 VanDerWaalsContact O-N 3.14Å
120P92.4Very high93.3Very high88 Ų8865.2 Ų65.257%0.57134%0.336SS*.EExtended strand (participates in β ladder)trans-59144.5179.3-24.133.6000113.3G122P120-G122 PolarHBondContact O-N 3.49Å
121A91.3Very high93.1Very high1 Ų166.3 Ų66.31%0.00834%0.336CS..EExtended strand (participates in β ladder)trans-92.769.3170.700000110.5L18 L93 L113 L115 K123 G124L18-A121 HydrophobicContact CD1-CB 4.24Å; L93-A121 VanDerWaalsContact O-CB 3.24Å; L93-A121 WeakPolarHBondContact O-CB 3.41Å; L113-A121 HydrophobicContact CB-CB 3.89Å; L113-A121 WeakPolarHBondContact O-CB 3.13Å; L113-A121 PolarHBondContact O-N 2.8Å; L115-A121 HydrophobicContact CD2-CB 3.95Å; L115-A121 HydrophobicContact CG-CB 3.79Å; A121-K123 PolarHBondContact O-N 3.23Å; A121-G124 PolarHBondContact O-N 2.85Å
122G90.7Very high92.8Very high50 Ų5062.4 Ų62.452%0.51532%0.322SS..EExtended strand (participates in β ladder)trans63.1-131.4-175.800000112.3P120P120-G122 PolarHBondContact O-N 3.49Å
123K92.6Very high92.2Very high186 Ų18661.7 Ų61.781%0.80931%0.313SS*.EExtended strand (participates in β ladder)trans-101.310.6174.6-63-177.7-178.9178.20112.5N16 A121N16-K123 HydrophobicContact CB-CB 4.26Å; A121-K123 PolarHBondContact O-N 3.23Å
124G94.2Very high91.4Very high3 Ų366.7 Ų66.73%0.03134%0.335CS..EExtended strand (participates in β ladder)trans-61.8139.1-176.500000111.8E15 N16 L113 A121E15-G124 CarbonylContact O-C 3.57Å; E15-G124 VanDerWaalsContact O-CA 3.27Å; E15-G124 WeakPolarHBondContact O-CA 3.24Å; N16-G124 WeakPolarHBondContact O-CA 3.14Å; N16-G124 PolarHBondContact O-N 3.12Å; L113-G124 PolarHBondContact N-O 2.67Å; A121-G124 PolarHBondContact O-N 2.85Å
125S96.2Very high90.7Very high19 Ų1965.2 Ų65.213%0.13333%0.329CS..EExtended strand (participates in β ladder)trans-133.3154.417271.20000110.9C14 E15 R111C14-S125 CarbonylContact C-O 3.55Å; C14-S125 WeakPolarHBondContact CA-O 3.34Å; C14-S125 VanDerWaalsContact CB-O 3.26Å; C14-S125 WeakPolarHBondContact CB-O 3.48Å; E15-S125 PolarHBondContact N-O 3Å; E15-S125 PolarHBondContact O-N 2.86Å; R111-S125 CarbonylContact O-C 3.54Å; R111-S125 VanDerWaalsContact O-CA 3.31Å; R111-S125 WeakPolarHBondContact O-CA 3.33Å
126I96.9Very high90.4Very high0 Ų064 Ų640%032%0.323CS..EExtended strand (participates in β ladder)trans-122.2133.3174.3-174.9172.7000108.8V12 S13 F75 V77 A96 T110 R111 L113 I128V12-I126 HydrophobicContact CG1-CD1 3.7Å; V12-I126 HydrophobicContact CG1-CG1 3.75Å; S13-I126 CarbonylContact O-C 3.54Å; S13-I126 WeakPolarHBondContact O-CA 3.37Å; F75-I126 HydrophobicContact CB-CD1 3.55Å; F75-I126 HydrophobicContact CD1-CD1 4.38Å; F75-I126 HydrophobicContact CG-CD1 4.11Å; V77-I126 HydrophobicContact CG2-CD1 4.4Å; A96-I126 HydrophobicContact CB-CG2 3.64Å; T110-I126 CarbonylContact C-O 3.49Å; T110-I126 WeakPolarHBondContact CA-O 3.39Å; R111-I126 HydrophobicContact CB-CG2 4.37Å; R111-I126 PolarHBondContact N-O 3.47Å; R111-I126 PolarHBondContact O-N 2.8Å; L113-I126 HydrophobicContact CD2-CB 3.85Å; L113-I126 HydrophobicContact CD2-CG2 3.78Å; L113-I126 HydrophobicContact CG-CB 4.22Å; L113-I126 HydrophobicContact CG-CG2 4.28Å; I126-I128 HydrophobicContact CB-CD1 4.49Å; I126-I128 HydrophobicContact CD1-CD1 4.09Å; I126-I128 HydrophobicContact CD1-CG1 4.37Å; I126-I128 HydrophobicContact CG1-CD1 3.82Å; I126-I128 HydrophobicContact CG1-CG1 4.26Å; I126-I128 HydrophobicContact CG2-CD1 4.11Å
127T97.5Very high90.5Very high23 Ų2360.8 Ų60.814%0.14131%0.306CS..EExtended strand (participates in β ladder)trans-113.8125.2174.1-63.10000108.6V12 S13 T108 I109 T110V12-T127 WeakPolarHBondContact CA-O 3.32Å; S13-T127 PolarHBondContact N-O 3.34Å; S13-T127 PolarHBondContact O-N 3.05Å; T108-T127 HydrophobicContact CG2-CG2 3.78Å; I109-T127 WeakPolarHBondContact O-CA 3.18Å; T110-T127 WeakPolarHBondContact CG2-OG1 3.36Å; T110-T127 PolarHBondContact OG1-OG1 3.19Å
128I96.9Very high90.8Very high0 Ų052.3 Ų52.30%027%0.269CS..EExtended strand (participates in β ladder)trans-115.3129.6176.8-5592.4000108.2L10 T11 V12 F75 L98 I103 T108 I109 I126L10-I128 HydrophobicContact CB-CG2 4.25Å; L10-I128 HydrophobicContact CD2-CG2 4.35Å; T11-I128 WeakPolarHBondContact O-CA 3.32Å; V12-I128 HydrophobicContact CG2-CG1 4.41Å; F75-I128 HydrophobicContact CD1-CG1 4.2Å; F75-I128 HydrophobicContact CD2-CG1 4.47Å; F75-I128 HydrophobicContact CE1-CG1 3.98Å; F75-I128 HydrophobicContact CE1-CG2 4.21Å; F75-I128 HydrophobicContact CE2-CG1 4.3Å; F75-I128 HydrophobicContact CG-CG1 4.44Å; F75-I128 HydrophobicContact CZ-CG1 4.04Å; F75-I128 HydrophobicContact CZ-CG2 4.07Å; L98-I128 HydrophobicContact CD1-CD1 4Å; I103-I128 HydrophobicContact CD1-CG2 4.33Å; I103-I128 HydrophobicContact CG2-CB 4.43Å; I103-I128 HydrophobicContact CG2-CG2 3.8Å; T108-I128 CarbonylContact C-O 3.58Å; T108-I128 WeakPolarHBondContact CA-O 3.11Å; I109-I128 HydrophobicContact CG2-CB 4.01Å; I109-I128 HydrophobicContact CG2-CD1 4.33Å; I109-I128 PolarHBondContact N-O 3.39Å; I109-I128 PolarHBondContact O-N 2.96Å; I126-I128 HydrophobicContact CB-CD1 4.49Å; I126-I128 HydrophobicContact CD1-CD1 4.09Å; I126-I128 HydrophobicContact CD1-CG1 4.37Å; I126-I128 HydrophobicContact CG1-CD1 3.82Å; I126-I128 HydrophobicContact CG1-CG1 4.26Å; I126-I128 HydrophobicContact CG2-CD1 4.11Å
129T94.9Very high91.2Very high29 Ų2946.1 Ų46.118%0.17824%0.236CC..EExtended strand (participates in β ladder)trans-119.3132.8172-59.90000110.3L10 T11 K107 T108L10-T129 CarbonylContact C-O 3.56Å; L10-T129 WeakPolarHBondContact CA-O 3.25Å; T11-T129 PolarHBondContact N-O 3.31Å; T11-T129 PolarHBondContact O-N 2.99Å; T11-T129 WeakPolarHBondContact OG1-CB 3.24Å; K107-T129 CarbonylContact O-C 3.18Å; K107-T129 VanDerWaalsContact O-CA 3.29Å; K107-T129 WeakPolarHBondContact O-CA 3.47Å; T108-T129 WeakPolarHBondContact CG2-OG1 3.39Å; T108-T129 WeakPolarHBondContact OG1-CG2 3.49Å; T108-T129 PolarHBondContact OG1-OG1 3.44Å
130A94.4Very high91.4Very high0 Ų041.2 Ų41.20%022%0.217CC..EExtended strand (participates in β ladder)trans-105.6141.6178.800000112.5V8 E9 L10 I103 V104 K107 M282V8-A130 HydrophobicContact CG1-CB 3.82Å; E9-A130 CarbonylContact O-C 3.46Å; E9-A130 WeakPolarHBondContact O-CA 3.35Å; L10-A130 HydrophobicContact CD2-CB 3.65Å; I103-A130 HydrophobicContact CG2-CB 3.85Å; V104-A130 HydrophobicContact CG1-CB 4.26Å; K107-A130 PolarHBondContact O-N 3.15Å; A130-M282 HydrophobicContact CB-CE 4.07Å
131E90.3Very high91.5Very high95 Ų9537.1 Ų37.144%0.44419%0.19SC..EExtended strand (participates in β ladder)trans-135.4138.5170.8-63.3-173.7161.600109.8V8 E9V8-E131 CarbonylContact C-O 3.54Å; V8-E131 WeakPolarHBondContact CA-O 3.1Å; E9-E131 PolarHBondContact N-O 2.78Å; E9-E131 PolarHBondContact O-N 3.34Å
132E89.9Confident91.8Very high27 Ų2740.4 Ų40.413%0.12621%0.205CC..EExtended strand (participates in β ladder)trans-76.4129173-172.6-179.1-16200110.4S6 K134 S276 L278 M282S6-E132 VanDerWaalsContact CB-OE1 3.28Å; S6-E132 WeakPolarHBondContact CB-OE1 2.67Å; S6-E132 PolarHBondContact OG-OE1 3.46Å; E132-K134 HydrophobicContact CG-CB 4.23Å; E132-K134 PolarHBondContact O-N 3.1Å; E132-S276 WeakPolarHBondContact OE2-CB 3.38Å; E132-S276 PolarHBondContact OE2-OG 2.9Å; E132-L278 HydrophobicContact CB-CB 4.46Å; E132-L278 HydrophobicContact CB-CD1 4.25Å; E132-L278 HydrophobicContact CG-CD1 3.98Å; E132-M282 HydrophobicContact CB-CE 4.49Å
133I84.2Confident92.1Very high67 Ų6738.4 Ų38.434%0.34418%0.183SC..  trans-86.792.6175.7-51.6175.6000108.6K7 E9 R62K7-I133 HydrophobicContact CB-CB 4.11Å; K7-I133 HydrophobicContact CB-CD1 4.25Å; K7-I133 HydrophobicContact CB-CG1 4.5Å; K7-I133 PolarHBondContact O-N 3.1Å; E9-I133 HydrophobicContact CB-CD1 3.87Å; E9-I133 HydrophobicContact CB-CG1 3.78Å; R62-I133 HydrophobicContact CG-CD1 3.95Å
134K78.9Confident92.3Very high107 Ų10731.1 Ų31.147%0.46515%0.151SC..  trans-156.6147.5177.6-168170.2155.9-144.40112.8E132 N136E132-K134 HydrophobicContact CG-CB 4.23Å; E132-K134 PolarHBondContact O-N 3.1Å; K134-N136 WeakPolarHBondContact CB-OD1 3.27Å; K134-N136 WeakPolarHBondContact CD-OD1 3.39Å; K134-N136 WeakPolarHBondContact CE-OD1 3.35Å; K134-N136 WeakPolarHBondContact CG-OD1 3.43Å; K134-N136 PolarHBondContact NZ-OD1 2.66Å; K134-N136 PolarHBondContact O-N 3.29Å
135D80.6Confident92.5Very high38 Ų3831 Ų3120%0.20315%0.15CC..  trans-87.398.8158.8-167.5-12.5000109R137 S202D135-R137 PolarHBondContact O-N 2.84Å; D135-R137 WeakPolarHBondContact OD1-CB 3.46Å; D135-R137 WeakPolarHBondContact OD1-CG 3.38Å; D135-R137 IonicContact OD1-CZ 2.67Å; D135-R137 PolarHBondContact OD1-N 2.98Å; D135-R137 IonicContact OD1-NE 2.66Å; D135-R137 PolarHBondContact OD1-NE 3.47Å; D135-R137 IonicContact OD1-NH2 3.14Å; D135-R137 IonicContact OD2-CZ 2.78Å; D135-R137 IonicContact OD2-NE 2.78Å; D135-R137 PolarHBondContact OD2-NE 3.31Å; D135-R137 IonicContact OD2-NH2 3.88Å; D135-R137 PolarHBondContact OD2-NH2 3.23Å; D135-S202 WeakPolarHBondContact CB-OG 3.29Å; D135-S202 WeakPolarHBondContact OD2-CB 3.19Å; D135-S202 PolarHBondContact OD2-OG 3.39Å
136N84.1Confident92.5Very high25 Ų2534 Ų3413%0.13416%0.16CC..  trans-76.92.3178.6-71.5-19.7000112.7K134 T273 N274 D279K134-N136 WeakPolarHBondContact CB-OD1 3.27Å; K134-N136 WeakPolarHBondContact CD-OD1 3.39Å; K134-N136 WeakPolarHBondContact CE-OD1 3.35Å; K134-N136 WeakPolarHBondContact CG-OD1 3.43Å; K134-N136 PolarHBondContact NZ-OD1 2.66Å; K134-N136 PolarHBondContact O-N 3.29Å; N136-T273 HydrophobicContact CB-CG2 4.16Å; N136-N274 WeakPolarHBondContact CB-O 3.29Å; N136-N274 PolarHBondContact O-N 3.28Å; N136-D279 PolarHBondContact ND2-OD1 3.01Å; N136-D279 VanDerWaalsContact ND2-OD1 3.14Å; N136-D279 PolarHBondContact ND2-OD2 3.24Å
137R90.4Very high92.5Very high91 Ų9142 Ų4234%0.34320%0.196SC..EExtended strand (participates in β ladder)trans-80.8143.3-179.7-56.8171.3-60.5167.2-1.7110.7D135 L196 S202 L271 V272D135-R137 PolarHBondContact O-N 2.84Å; D135-R137 WeakPolarHBondContact OD1-CB 3.46Å; D135-R137 WeakPolarHBondContact OD1-CG 3.38Å; D135-R137 IonicContact OD1-CZ 2.67Å; D135-R137 PolarHBondContact OD1-N 2.98Å; D135-R137 IonicContact OD1-NE 2.66Å; D135-R137 PolarHBondContact OD1-NE 3.47Å; D135-R137 IonicContact OD1-NH2 3.14Å; D135-R137 IonicContact OD2-CZ 2.78Å; D135-R137 IonicContact OD2-NE 2.78Å; D135-R137 PolarHBondContact OD2-NE 3.31Å; D135-R137 IonicContact OD2-NH2 3.88Å; D135-R137 PolarHBondContact OD2-NH2 3.23Å; R137-L196 HydrophobicContact CB-CB 4.14Å; R137-L196 HydrophobicContact CB-CD2 4.14Å; R137-L196 VanDerWaalsContact O-CB 3.31Å; R137-L196 WeakPolarHBondContact O-CB 3.44Å; R137-L196 PolarHBondContact O-N 3.12Å; R137-S202 PolarHBondContact NH2-O 3.2Å; R137-L271 HydrophobicContact CB-CD1 3.95Å; R137-L271 HydrophobicContact CB-CD2 4.43Å; R137-L271 HydrophobicContact CB-CG 4.1Å; R137-L271 HydrophobicContact CG-CD2 4.43Å; R137-L271 HydrophobicContact CG-CG 4.47Å; R137-V272 CarbonylContact C-O 3.59Å; R137-V272 WeakPolarHBondContact CA-O 3.22Å
138A92.2Very high92.5Very high0 Ų041.1 Ų41.10%019%0.19CC..EExtended strand (participates in β ladder)trans-130.8143169.800000110.2V194 V272 N274A138-V194 CarbonylContact C-O 3.56Å; A138-V194 WeakPolarHBondContact CA-O 3.43Å; A138-V194 WeakPolarHBondContact CB-O 3.08Å; A138-V272 HydrophobicContact CB-CG2 4.13Å; A138-V272 PolarHBondContact N-O 2.82Å; A138-V272 PolarHBondContact O-N 2.88Å; A138-N274 WeakPolarHBondContact CB-ND2 3.46Å
139I94.5Very high92.4Very high1 Ų143.3 Ų43.31%0.00520%0.201CC..EExtended strand (participates in β ladder)trans-87.2136.8172.9-155.8171000108.6L141 S193 V194 L196 F199 A231 C269 K270I139-L141 HydrophobicContact CD1-CD1 4.33Å; I139-L141 HydrophobicContact CD1-CG 4.44Å; I139-L141 HydrophobicContact CG1-CG 4.29Å; I139-L141 HydrophobicContact CG2-CD1 4.3Å; I139-S193 CarbonylContact O-C 3.6Å; I139-S193 VanDerWaalsContact O-CA 3.23Å; I139-S193 WeakPolarHBondContact O-CA 3.34Å; I139-S193 PolarHBondContact O-OG 2.84Å; I139-V194 HydrophobicContact CG2-CB 4.24Å; I139-V194 PolarHBondContact N-O 2.72Å; I139-V194 PolarHBondContact O-N 3.33Å; I139-L196 HydrophobicContact CB-CD1 4.47Å; I139-F199 HydrophobicContact CB-CD1 4.47Å; I139-F199 HydrophobicContact CD1-CD1 3.88Å; I139-F199 HydrophobicContact CD1-CE1 3.48Å; I139-F199 VanDerWaalsContact CD1-CE1 3.48Å; I139-F199 HydrophobicContact CD1-CZ 4.05Å; I139-F199 HydrophobicContact CG2-CB 4.11Å; I139-F199 HydrophobicContact CG2-CD1 3.79Å; I139-F199 HydrophobicContact CG2-CD2 3.7Å; I139-F199 HydrophobicContact CG2-CE1 4.07Å; I139-F199 HydrophobicContact CG2-CE2 3.99Å; I139-F199 HydrophobicContact CG2-CG 3.59Å; I139-F199 HydrophobicContact CG2-CZ 4.17Å; I139-A231 HydrophobicContact CD1-CB 4.33Å; I139-C269 VanDerWaalsContact CD1-SG 3.55Å; I139-K270 CarbonylContact C-O 3.45Å
140V95.5Very high92.3Very high16 Ų1647 Ų4710%0.09722%0.215CC..EExtended strand (participates in β ladder)trans-120.6118.7176.9179.60000107.6K191 F192 C269 K270 V272V140-K191 HydrophobicContact CG1-CD 4.17Å; V140-K191 HydrophobicContact CG1-CG 4.04Å; V140-F192 WeakPolarHBondContact CA-O 3.46Å; V140-C269 WeakPolarHBondContact O-CA 3.08Å; V140-K270 HydrophobicContact CB-CB 4.46Å; V140-K270 PolarHBondContact N-O 3.28Å; V140-K270 PolarHBondContact O-N 3.25Å; V140-V272 HydrophobicContact CG2-CB 4.39Å; V140-V272 HydrophobicContact CG2-CG1 3.87Å; V140-V272 HydrophobicContact CG2-CG2 3.59Å
141L95.4Very high92.1Very high2 Ų249.3 Ų49.31%0.0123%0.225CC..EExtended strand (participates in β ladder)trans-121140.7-171.3-77.9165.1000111.4I139 L143 K191 F192 F199 L234 V266 C269I139-L141 HydrophobicContact CD1-CD1 4.33Å; I139-L141 HydrophobicContact CD1-CG 4.44Å; I139-L141 HydrophobicContact CG1-CG 4.29Å; I139-L141 HydrophobicContact CG2-CD1 4.3Å; L141-L143 HydrophobicContact CD2-CD2 4.4Å; L141-K191 WeakPolarHBondContact O-CA 3.42Å; L141-F192 HydrophobicContact CB-CD1 4.45Å; L141-F192 HydrophobicContact CB-CD2 4.5Å; L141-F192 HydrophobicContact CB-CE1 3.82Å; L141-F192 HydrophobicContact CB-CE2 3.88Å; L141-F192 HydrophobicContact CB-CZ 3.5Å; L141-F192 VanDerWaalsContact CB-CZ 3.5Å; L141-F192 HydrophobicContact CD1-CE2 3.82Å; L141-F192 HydrophobicContact CD1-CZ 3.66Å; L141-F192 HydrophobicContact CG-CE2 4.43Å; L141-F192 HydrophobicContact CG-CZ 4.22Å; L141-F192 PolarHBondContact N-O 3.26Å; L141-F192 PolarHBondContact O-N 3.23Å; L141-F192 VanDerWaalsContact O-N 3.11Å; L141-F199 HydrophobicContact CD1-CE2 3.82Å; L141-F199 HydrophobicContact CD1-CZ 3.65Å; L141-L234 HydrophobicContact CD1-CD1 4.34Å; L141-L234 HydrophobicContact CD2-CB 4.45Å; L141-L234 HydrophobicContact CD2-CD1 4.4Å; L141-V266 HydrophobicContact CD2-CG1 3.92Å; L141-C269 HydrophobicContact CD2-CB 3.72Å; L141-C269 WeakPolarHBondContact CD2-SG 3.16Å
142E96.3Very high91.8Very high69 Ų6946.8 Ų46.832%0.32222%0.215SC..EExtended strand (participates in β ladder)trans-125.8118.9167.2-171.1-179.2159.400108.2K267 S268E142-K267 HydrophobicContact CB-CB 4.2Å; E142-K267 HydrophobicContact CG-CB 4.12Å; E142-K267 HydrophobicContact CG-CD 4.05Å; E142-K267 PolarHBondContact O-N 2.92Å; E142-K267 WeakPolarHBondContact OE1-CD 3.4Å; E142-S268 PolarHBondContact N-O 3.32Å; E142-S268 PolarHBondContact O-N 3.14Å
143L97.1Very high91.4Very high9 Ų951.1 Ų51.15%0.04724%0.243CC..EExtended strand (participates in β ladder)trans-121.7144.1-171.1-58.4177.7000110.2L141 L161 I163 W189 F192 V266L141-L143 HydrophobicContact CD2-CD2 4.4Å; L143-L161 HydrophobicContact CB-CD1 4.2Å; L143-L161 HydrophobicContact CD1-CD1 3.57Å; L143-L161 HydrophobicContact CG-CD1 4.5Å; L143-I163 HydrophobicContact CD1-CD1 4.32Å; L143-W189 HydrophobicContact CB-CE3 3.94Å; L143-W189 HydrophobicContact CB-CZ3 4.44Å; L143-W189 PolarHBondContact O-N 3.32Å; L143-W189 VanDerWaalsContact O-N 3.11Å; L143-F192 HydrophobicContact CD1-CE1 3.8Å; L143-F192 HydrophobicContact CD1-CZ 3.97Å; L143-F192 HydrophobicContact CG-CE1 4.22Å; L143-V266 HydrophobicContact CD2-CB 4.09Å; L143-V266 HydrophobicContact CD2-CG1 4.05Å; L143-V266 HydrophobicContact CD2-CG2 3.74Å
144E97.6Very high91.2Very high32 Ų3257.6 Ų57.615%0.1527%0.269CS..EExtended strand (participates in β ladder)trans-134.7167.2165.470.7173.8-174.300110.1K146 P187 V264 S265 K267E144-K146 WeakPolarHBondContact OE1-CE 3.34Å; E144-K146 IonicContact OE1-NZ 3.15Å; E144-K146 PolarHBondContact OE1-NZ 3.11Å; E144-P187 CarbonylContact C-O 3.6Å; E144-P187 VanDerWaalsContact CA-O 3.24Å; E144-P187 WeakPolarHBondContact CA-O 3.27Å; E144-P187 WeakPolarHBondContact CB-O 3.17Å; E144-V264 CarbonylContact O-C 3.59Å; E144-V264 WeakPolarHBondContact O-CA 3.44Å; E144-S265 PolarHBondContact N-O 2.72Å; E144-S265 PolarHBondContact O-N 3.18Å; E144-K267 HydrophobicContact CG-CD 4.45Å; E144-K267 HydrophobicContact CG-CG 4.22Å; E144-K267 WeakPolarHBondContact OE2-CE 3.38Å; E144-K267 IonicContact OE2-NZ 2.65Å; E144-K267 PolarHBondContact OE2-NZ 3.41Å
145A98Very high91.6Very high1 Ų154 Ų541%0.00826%0.262CS..EExtended strand (participates in β ladder)trans-132.5161166.600000111.2L148 N186 P187 W189 V263 V264A145-L148 HydrophobicContact CB-CD1 3.85Å; A145-L148 HydrophobicContact CB-CD2 3.82Å; A145-L148 HydrophobicContact CB-CG 3.84Å; A145-N186 CarbonylContact O-C 3.33Å; A145-N186 VanDerWaalsContact O-C 3.27Å; A145-N186 WeakPolarHBondContact O-CA 3.21Å; A145-P187 HydrophobicContact CB-CG 3.92Å; A145-P187 PolarHBondContact N-O 3.35Å; A145-W189 HydrophobicContact CB-CH2 3.64Å; A145-W189 HydrophobicContact CB-CZ3 3.87Å; A145-V263 CarbonylContact C-O 3.54Å; A145-V263 WeakPolarHBondContact CA-O 3.47Å; A145-V263 WeakPolarHBondContact CB-O 3.45Å; A145-V264 HydrophobicContact CB-CG2 3.95Å
146K97.4Very high92.1Very high81 Ų8156.7 Ų56.735%0.35227%0.272SS..EExtended strand (participates in β ladder)trans-136.1142.7178.5-68.2175.4-175.3137.50110.6E144 L148 L185 N186 G262 V263E144-K146 WeakPolarHBondContact OE1-CE 3.34Å; E144-K146 IonicContact OE1-NZ 3.15Å; E144-K146 PolarHBondContact OE1-NZ 3.11Å; K146-L148 PolarHBondContact O-N 2.6Å; K146-L185 CarbonylContact C-O 3.6Å; K146-N186 WeakPolarHBondContact CA-OD1 3.46Å; K146-G262 WeakPolarHBondContact O-CA 3.41Å; K146-V263 PolarHBondContact N-O 3.36Å; K146-V263 PolarHBondContact O-N 3.44Å
147K96.9Very high92.6Very high170 Ų17055.5 Ų55.574%0.73927%0.266SS*.SBendtrans52.340.8174.8-56.5176.6-179.2174.30112.7L185 N186 G262K147-L185 PolarHBondContact N-O 2.86Å; K147-L185 VanDerWaalsContact N-O 3.11Å; K147-N186 PolarHBondContact N-OD1 2.95Å; K147-G262 WeakPolarHBondContact O-CA 3.23Å
148L96.9Very high92.8Very high4 Ų452.6 Ų52.62%0.02126%0.257CS..PPolyproline II helixtrans-59.4146.4173.5-66.1179.1000110.4A145 K146 K150 P159 L185 P187 I224 S261A145-L148 HydrophobicContact CB-CD1 3.85Å; A145-L148 HydrophobicContact CB-CD2 3.82Å; A145-L148 HydrophobicContact CB-CG 3.84Å; K146-L148 PolarHBondContact O-N 2.6Å; L148-K150 PolarHBondContact O-N 3.31Å; L148-P159 HydrophobicContact CD1-CB 3.58Å; L148-P159 HydrophobicContact CD1-CG 3.76Å; L148-L185 HydrophobicContact CB-CB 4.42Å; L148-L185 HydrophobicContact CB-CD2 4.48Å; L148-L185 PolarHBondContact N-O 3.36Å; L148-L185 WeakPolarHBondContact O-CD2 3.21Å; L148-P187 HydrophobicContact CD1-CG 3.78Å; L148-I224 HydrophobicContact CB-CG2 4.44Å; L148-I224 HydrophobicContact CD1-CD1 4.44Å; L148-I224 HydrophobicContact CD2-CG2 4.26Å; L148-S261 WeakPolarHBondContact CA-O 3.34Å
149D93.9Very high93Very high45 Ų4552.6 Ų52.624%0.24126%0.257CS..PPolyproline II helixtrans-64.4135.5174.6-84.1-15000110.8S157 I224 K252 S261D149-S157 PolarHBondContact O-OG 2.78Å; D149-I224 HydrophobicContact CB-CG2 4.21Å; D149-K252 IonicContact OD2-NZ 3.39Å; D149-K252 PolarHBondContact OD2-NZ 3.22Å; D149-S261 PolarHBondContact N-O 2.91Å; D149-S261 WeakPolarHBondContact OD2-CA 3.38Å; D149-S261 WeakPolarHBondContact OD2-CB 3.46Å; D149-S261 PolarHBondContact OD2-OG 3.03Å
150K93.2Very high93.1Very high106 Ų10652.6 Ų52.646%0.46126%0.257SS..PPolyproline II helixtrans-69.4127.7170-169.6-166.1-171.1-126.80109.7L148 D152 T153 G155 S157 L185L148-K150 PolarHBondContact O-N 3.31Å; K150-D152 WeakPolarHBondContact CE-O 3.46Å; K150-D152 PolarHBondContact NZ-O 3.34Å; K150-T153 PolarHBondContact NZ-O 2.95Å; K150-G155 WeakPolarHBondContact CE-O 3.47Å; K150-G155 PolarHBondContact NZ-O 3.21Å; K150-S157 WeakPolarHBondContact CA-OG 3.33Å; K150-L185 HydrophobicContact CB-CD1 4.45Å; K150-L185 HydrophobicContact CB-CD2 4.48Å
151K90.1Very high93.3Very high49 Ų4951.9 Ų51.921%0.21325%0.253CS..  trans-110.5-39.9177.5-72.4-63.5-166.1141.50111.9S157 D214 D222 L223 I224K151-S157 PolarHBondContact N-OG 3.28Å; K151-D214 HydrophobicContact CB-CB 3.89Å; K151-D214 WeakPolarHBondContact CB-OD2 3.23Å; K151-D214 HydrophobicContact CG-CB 4.08Å; K151-D222 HydrophobicContact CB-CB 4.48Å; K151-D222 HydrophobicContact CD-CB 4.4Å; K151-D222 HydrophobicContact CG-CB 4.38Å; K151-L223 WeakPolarHBondContact CE-O 3.31Å; K151-L223 PolarHBondContact NZ-O 3.17Å; K151-I224 HydrophobicContact CG-CG1 3.94Å
152D85.3Confident93.4Very high43 Ų4353.1 Ų53.123%0.2326%0.259CS..  trans-64.9143.1174.2-72.1-49.3000116.6K150 K156K150-D152 WeakPolarHBondContact CE-O 3.46Å; K150-D152 PolarHBondContact NZ-O 3.34Å; D152-K156 VanDerWaalsContact OD2-O 3.09Å
153T81Confident93.5Very high118 Ų11850 Ų5072%0.72424%0.244SC*.SBendtrans-71.9-46.1171.753.60000111.6K150K150-T153 PolarHBondContact NZ-O 2.95Å
154F80.8Confident93.5Very high202 Ų20251 Ų5189%0.88625%0.248SC*.SBendtrans-117.583.1-179.9-62.7-79.6000112.1
155G86.2Confident93.4Very high31 Ų3150.8 Ų50.832%0.3225%0.247SC..SBendtrans148.7-161.1-177.400000111.3K150K150-G155 WeakPolarHBondContact CE-O 3.47Å; K150-G155 PolarHBondContact NZ-O 3.21Å
156K92.3Very high93.1Very high95 Ų9554.2 Ų54.241%0.41326%0.262SS..  trans-116164.4156.7-63.7163.5177.2172.20105.6D152 N183 L185D152-K156 VanDerWaalsContact OD2-O 3.09Å; K156-N183 WeakPolarHBondContact CB-OD1 3.33Å; K156-N183 WeakPolarHBondContact CD-O 3.16Å; K156-N183 WeakPolarHBondContact CG-OD1 3.46Å; K156-N183 PolarHBondContact N-OD1 3.26Å; K156-N183 WeakPolarHBondContact O-CA 3.39Å; K156-L185 HydrophobicContact CB-CD2 3.86Å; K156-L185 HydrophobicContact CB-CG 3.9Å; K156-L185 HydrophobicContact CD-CG 4.1Å; K156-L185 HydrophobicContact CG-CD1 4.28Å; K156-L185 HydrophobicContact CG-CD2 4.45Å; K156-L185 HydrophobicContact CG-CG 4Å
157S93.3Very high92.4Very high0 Ų050.9 Ų50.90%025%0.251CS..  trans-53149.8174.4-37.30000111.9D149 K150 K151 P159 N183 N184 D214D149-S157 PolarHBondContact O-OG 2.78Å; K150-S157 WeakPolarHBondContact CA-OG 3.33Å; K151-S157 PolarHBondContact N-OG 3.28Å; S157-P159 WeakPolarHBondContact O-CD 3.42Å; S157-N183 CarbonylContact O-C 3.52Å; S157-N183 PolarHBondContact O-N 3.07Å; S157-N184 PolarHBondContact O-N 3.02Å; S157-D214 VanDerWaalsContact CA-OD1 3.25Å; S157-D214 WeakPolarHBondContact CA-OD1 3.15Å; S157-D214 WeakPolarHBondContact CB-OD1 3.47Å
158D94.6Very high91.6Very high30 Ų3052.5 Ų52.516%0.1626%0.261CS..  trans-100.667.6170.7-70.2-7.7000110.4V180 V181 K182 N183 D214 H215D158-V180 HydrophobicContact CB-CG1 3.85Å; D158-V181 CarbonylContact C-O 3.55Å; D158-V181 WeakPolarHBondContact CA-O 3.46Å; D158-K182 WeakPolarHBondContact OD1-CA 3.43Å; D158-N183 PolarHBondContact OD1-N 3.32Å; D158-D214 WeakPolarHBondContact CA-OD1 3.46Å; D158-D214 PolarHBondContact N-OD1 3.15Å; D158-H215 HydrophobicContact CB-CB 4.05Å; D158-H215 WeakPolarHBondContact O-CB 3.38Å; D158-H215 PolarHBondContact O-N 2.84Å; D158-H215 VanDerWaalsContact O-N 3.12Å
159P96.7Very high91Very high0 Ų057.3 Ų57.30%029%0.287CS..EExtended strand (participates in β ladder)trans-72.7146-167.331.1-42.1000114.9L148 S157 V181 N184 P187 W189 S213 I224L148-P159 HydrophobicContact CD1-CB 3.58Å; L148-P159 HydrophobicContact CD1-CG 3.76Å; S157-P159 WeakPolarHBondContact O-CD 3.42Å; P159-V181 WeakPolarHBondContact CD-O 3.23Å; P159-V181 PolarHBondContact O-N 3.46Å; P159-V181 VanDerWaalsContact O-N 3.14Å; P159-N184 WeakPolarHBondContact CD-O 3.45Å; P159-N184 WeakPolarHBondContact CG-O 3.46Å; P159-P187 HydrophobicContact CB-CG 4.29Å; P159-P187 HydrophobicContact CG-CB 3.86Å; P159-P187 HydrophobicContact CG-CG 3.55Å; P159-W189 HydrophobicContact CB-CZ2 4.16Å; P159-W189 HydrophobicContact CG-CZ2 4.46Å; P159-W189 PolarHBondContact O-NE1 2.92Å; P159-S213 VanDerWaalsContact CA-O 3.3Å; P159-S213 WeakPolarHBondContact CA-O 3.49Å; P159-I224 HydrophobicContact CB-CD1 4.12Å
160F97.4Very high90.6Very high2 Ų256.8 Ų56.81%0.00929%0.293CS..EExtended strand (participates in β ladder)trans-138.3163.3164.967.9-78.8000110.8E162 R177 V180 C212 S213 H215 H221F160-E162 HydrophobicContact CD2-CG 4.03Å; F160-E162 HydrophobicContact CE2-CG 3.64Å; F160-R177 HydrophobicContact CD2-CG 3.81Å; F160-R177 HydrophobicContact CE2-CG 4.22Å; F160-V180 HydrophobicContact CB-CG2 4.16Å; F160-V180 HydrophobicContact CD1-CG2 4.16Å; F160-V180 HydrophobicContact CG-CG2 4.31Å; F160-C212 WeakPolarHBondContact O-CA 3.21Å; F160-S213 WeakPolarHBondContact CD1-O 3.44Å; F160-S213 PolarHBondContact N-O 3.31Å; F160-S213 PolarHBondContact O-N 3.35Å; F160-S213 VanDerWaalsContact O-N 3.09Å; F160-H215 HydrophobicContact CD1-CB 4.05Å; F160-H215 HydrophobicContact CE1-CB 4.09Å; F160-H221 HydrophobicContact CE1-CB 4.19Å; F160-H221 AromaticContact CE1-CG 3.97Å; F160-H221 HydrophobicContact CZ-CB 4.1Å; F160-H221 AromaticContact CZ-CD2 3.6Å; F160-H221 AromaticContact CZ-CG 3.88Å
161L98.1Very high90.5Very high0 Ų058.8 Ų58.80%030%0.301CS..EExtended strand (participates in β ladder)trans-111.6140.8176.3-60.5-179.4000111.1L143 R177 T178 W189 V210 D211 C212 V264L143-L161 HydrophobicContact CB-CD1 4.2Å; L143-L161 HydrophobicContact CD1-CD1 3.57Å; L143-L161 HydrophobicContact CG-CD1 4.5Å; L161-R177 VanDerWaalsContact O-CA 3.31Å; L161-R177 WeakPolarHBondContact O-CA 3.2Å; L161-T178 HydrophobicContact CB-CG2 3.95Å; L161-T178 PolarHBondContact N-OG1 2.74Å; L161-T178 PolarHBondContact O-N 3.49Å; L161-W189 HydrophobicContact CD1-CD2 4.28Å; L161-W189 HydrophobicContact CD1-CE3 3.75Å; L161-W189 HydrophobicContact CD1-CH2 3.8Å; L161-W189 HydrophobicContact CD1-CZ2 4.33Å; L161-W189 HydrophobicContact CD1-CZ3 3.5Å; L161-W189 VanDerWaalsContact CD1-CZ3 3.5Å; L161-W189 HydrophobicContact CD2-CH2 3.73Å; L161-W189 HydrophobicContact CD2-CZ2 4.08Å; L161-W189 HydrophobicContact CD2-CZ3 4.28Å; L161-W189 HydrophobicContact CG-CD2 4.29Å; L161-W189 HydrophobicContact CG-CE3 4.17Å; L161-W189 HydrophobicContact CG-CH2 3.59Å; L161-W189 HydrophobicContact CG-CZ2 3.74Å; L161-W189 HydrophobicContact CG-CZ3 3.84Å; L161-V210 HydrophobicContact CB-CG1 4.46Å; L161-V210 HydrophobicContact CD2-CG1 4.23Å; L161-D211 CarbonylContact C-O 3.55Å; L161-D211 WeakPolarHBondContact CA-O 3.24Å; L161-C212 HydrophobicContact CD2-CB 3.55Å; L161-V264 HydrophobicContact CD1-CG1 4.22Å; L161-V264 HydrophobicContact CD2-CG2 4.1Å
162E98.1Very high90.8Very high29 Ų2961.2 Ų61.214%0.13631%0.309CS..EExtended strand (participates in β ladder)trans-117.4123.8166.5-65.9-167.612200109.7F160 F164 L174 R177 V210 D211F160-E162 HydrophobicContact CD2-CG 4.03Å; F160-E162 HydrophobicContact CE2-CG 3.64Å; E162-F164 HydrophobicContact CB-CD2 4.3Å; E162-F164 HydrophobicContact CB-CE2 3.36Å; E162-F164 HydrophobicContact CB-CZ 3.61Å; E162-F164 HydrophobicContact CG-CZ 4.42Å; E162-L174 HydrophobicContact CB-CD1 3.72Å; E162-L174 HydrophobicContact CG-CD1 4.07Å; E162-R177 HydrophobicContact CG-CG 4.09Å; E162-R177 IonicContact OE1-CZ 3.73Å; E162-R177 IonicContact OE1-NE 2.57Å; E162-R177 PolarHBondContact OE1-NE 3.33Å; E162-R177 IonicContact OE1-NH2 2.58Å; E162-R177 PolarHBondContact OE1-NH2 2.87Å; E162-V210 CarbonylContact O-C 3.55Å; E162-V210 WeakPolarHBondContact O-CA 3.18Å; E162-D211 PolarHBondContact N-O 3.14Å; E162-D211 PolarHBondContact O-N 2.78Å
163I98.1Very high91.2Very high4 Ų463.4 Ų63.42%0.02132%0.318CS..EExtended strand (participates in β ladder)trans-106.2129.7179.1-52.7176.4000107.7L143 V175 H176 F192 F199 V210L143-I163 HydrophobicContact CD1-CD1 4.32Å; I163-V175 HydrophobicContact CB-CG2 4Å; I163-V175 HydrophobicContact CG2-CG2 3.75Å; I163-V175 VanDerWaalsContact O-CG2 3.24Å; I163-V175 WeakPolarHBondContact O-CG2 3.33Å; I163-V175 PolarHBondContact O-N 2.8Å; I163-H176 HydrophobicContact CB-CB 4.5Å; I163-H176 PolarHBondContact N-O 3.02Å; I163-H176 PolarHBondContact O-N 2.91Å; I163-F192 HydrophobicContact CD1-CE2 4.14Å; I163-F192 HydrophobicContact CD1-CZ 3.63Å; I163-F199 HydrophobicContact CD1-CE2 4.22Å; I163-F199 HydrophobicContact CG2-CE2 3.85Å; I163-F199 HydrophobicContact CG2-CZ 4.21Å; I163-V210 HydrophobicContact CG1-CG1 4.43Å; I163-V210 HydrophobicContact CG1-CG2 4.31Å; I163-V210 HydrophobicContact CG2-CG2 4.35Å
164F97.8Very high91.8Very high29 Ų2961.7 Ų61.713%0.12730%0.304CS..EExtended strand (participates in β ladder)trans-123.4142.7-178.7-54.6-98.9000111.1E162 W172 Q173 L174 L208 K209 D211E162-F164 HydrophobicContact CB-CD2 4.3Å; E162-F164 HydrophobicContact CB-CE2 3.36Å; E162-F164 HydrophobicContact CB-CZ 3.61Å; E162-F164 HydrophobicContact CG-CZ 4.42Å; F164-W172 HydrophobicContact CB-CB 4.06Å; F164-W172 HydrophobicContact CB-CD2 4.49Å; F164-W172 HydrophobicContact CB-CE3 3.95Å; F164-W172 HydrophobicContact CD1-CB 4.27Å; F164-W172 HydrophobicContact CG-CB 4.37Å; F164-Q173 CarbonylContact C-O 3.59Å; F164-Q173 WeakPolarHBondContact CA-O 3.36Å; F164-L174 HydrophobicContact CD1-CB 3.98Å; F164-L174 HydrophobicContact CD1-CD1 4.22Å; F164-L174 HydrophobicContact CE1-CB 3.83Å; F164-L174 HydrophobicContact CE1-CD1 3.79Å; F164-L174 HydrophobicContact CE1-CG 4.42Å; F164-L174 HydrophobicContact CE2-CD1 4.39Å; F164-L174 HydrophobicContact CZ-CD1 3.89Å; F164-L208 WeakPolarHBondContact O-CA 3.11Å; F164-K209 HydrophobicContact CB-CB 4.29Å; F164-K209 PolarHBondContact N-O 3.49Å; F164-K209 PolarHBondContact O-N 3.46Å; F164-D211 HydrophobicContact CE2-CB 4.14Å; F164-D211 WeakPolarHBondContact CE2-OD2 3.45Å
165K95.2Very high92.5Very high28 Ų2853 Ų5312%0.12227%0.267CS..EExtended strand (participates in β ladder)trans-100.9155.8165.472.6174.4168.8-171.30111.2W172 Q173 V175 Q197 T198 F199 L208K165-W172 CarbonylContact O-C 3.59Å; K165-W172 WeakPolarHBondContact O-CA 3.48Å; K165-Q173 HydrophobicContact CG-CB 4.15Å; K165-Q173 PolarHBondContact N-O 3.2Å; K165-Q173 PolarHBondContact O-N 3.49Å; K165-V175 HydrophobicContact CB-CG1 3.83Å; K165-V175 HydrophobicContact CD-CG1 3.83Å; K165-V175 HydrophobicContact CG-CG1 3.55Å; K165-Q197 PolarHBondContact NZ-O 2.82Å; K165-T198 VanDerWaalsContact CD-O 3.27Å; K165-T198 WeakPolarHBondContact CD-O 3.23Å; K165-T198 WeakPolarHBondContact CE-O 3.5Å; K165-T198 PolarHBondContact NZ-O 3.02Å; K165-F199 WeakPolarHBondContact CB-O 3.36Å; K165-L208 HydrophobicContact CB-CD2 4.14Å
166Q91.4Very high93Very high72 Ų7253.6 Ų53.634%0.33626%0.262SS..EExtended strand (participates in β ladder)trans-84.1119.5170.1-161.1170.529.400110.4G170 W172Q166-G170 PolarHBondContact NE2-O 2.61Å; Q166-W172 HydrophobicContact CB-CE3 4.2Å; Q166-W172 HydrophobicContact CB-CH2 4.26Å; Q166-W172 HydrophobicContact CB-CZ3 3.86Å
167G82.9Confident93.3Very high12 Ų1255.3 Ų55.312%0.12427%0.266CS..PPolyproline II helixtrans-73.6169.1172.300000112.4N169 G170 K171G167-N169 PolarHBondContact O-N 2.87Å; G167-G170 WeakPolarHBondContact O-CA 3.42Å; G167-G170 PolarHBondContact O-N 3.07Å; G167-K171 PolarHBondContact N-O 3.01Å
168E80.5Confident93.5Very high203 Ų20355.8 Ų55.895%0.94927%0.269SS*.THydrogen-bonded Turntrans-61.8-29.6-179.2-63.9-176.717000113.2G170E168-G170 PolarHBondContact O-N 2.85Å
169N84.8Confident93.6Very high105 Ų10557.4 Ų57.456%0.56128%0.275SS*.THydrogen-bonded Turntrans-79.48.1173.864.15.7000113.5G167 K171G167-N169 PolarHBondContact O-N 2.87Å; N169-K171 PolarHBondContact O-N 2.95Å; N169-K171 VanDerWaalsContact OD1-CB 3.3Å; N169-K171 WeakPolarHBondContact OD1-CB 3.49Å; N169-K171 PolarHBondContact OD1-N 2.9Å
170G85.2Confident93.6Very high35 Ų3559.9 Ų59.936%0.36129%0.29SS..SBendtrans76.5-3.8-178.200000115.2Q166 G167 E168Q166-G170 PolarHBondContact NE2-O 2.61Å; G167-G170 WeakPolarHBondContact O-CA 3.42Å; G167-G170 PolarHBondContact O-N 3.07Å; E168-G170 PolarHBondContact O-N 2.85Å
171K91.2Very high93.5Very high147 Ų14761 Ų6164%0.63930%0.298SS*.  trans-79145179.9-62.3-173.9178.6-177.90111.5G167 N169G167-K171 PolarHBondContact N-O 3.01Å; N169-K171 PolarHBondContact O-N 2.95Å; N169-K171 VanDerWaalsContact OD1-CB 3.3Å; N169-K171 WeakPolarHBondContact OD1-CB 3.49Å; N169-K171 PolarHBondContact OD1-N 2.9Å
172W95.3Very high93.4Very high100 Ų10068.7 Ų68.738%0.37933%0.331SS..EExtended strand (participates in β ladder)trans-73.6134.1172.4-64.5110.2000110.9F164 K165 Q166 P207 K209F164-W172 HydrophobicContact CB-CB 4.06Å; F164-W172 HydrophobicContact CB-CD2 4.49Å; F164-W172 HydrophobicContact CB-CE3 3.95Å; F164-W172 HydrophobicContact CD1-CB 4.27Å; F164-W172 HydrophobicContact CG-CB 4.37Å; K165-W172 CarbonylContact O-C 3.59Å; K165-W172 WeakPolarHBondContact O-CA 3.48Å; Q166-W172 HydrophobicContact CB-CE3 4.2Å; Q166-W172 HydrophobicContact CB-CH2 4.26Å; Q166-W172 HydrophobicContact CB-CZ3 3.86Å; W172-P207 HydrophobicContact CH2-CB 4.04Å; W172-K209 HydrophobicContact CD2-CB 3.91Å; W172-K209 HydrophobicContact CD2-CD 4.05Å; W172-K209 HydrophobicContact CE3-CB 3.69Å; W172-K209 HydrophobicContact CG-CD 4.21Å; W172-K209 HydrophobicContact CH2-CB 3.82Å; W172-K209 HydrophobicContact CZ2-CB 4.01Å; W172-K209 HydrophobicContact CZ2-CD 4.37Å; W172-K209 HydrophobicContact CZ3-CB 3.65Å
173Q94.4Very high93.1Very high89 Ų8971.7 Ų71.742%0.41635%0.348SS..EExtended strand (participates in β ladder)trans-124.5126.5178.8-64.6179.8-18.600109F164 K165 V175F164-Q173 CarbonylContact C-O 3.59Å; F164-Q173 WeakPolarHBondContact CA-O 3.36Å; K165-Q173 HydrophobicContact CG-CB 4.15Å; K165-Q173 PolarHBondContact N-O 3.2Å; K165-Q173 PolarHBondContact O-N 3.49Å; Q173-V175 PolarHBondContact O-N 2.99Å
174L94.7Very high93Very high82 Ų8273.7 Ų73.743%0.42936%0.359SS..EExtended strand (participates in β ladder)trans-64.6126.9178.6-176.969.6000109.5E162 F164 H176E162-L174 HydrophobicContact CB-CD1 3.72Å; E162-L174 HydrophobicContact CG-CD1 4.07Å; F164-L174 HydrophobicContact CD1-CB 3.98Å; F164-L174 HydrophobicContact CD1-CD1 4.22Å; F164-L174 HydrophobicContact CE1-CB 3.83Å; F164-L174 HydrophobicContact CE1-CD1 3.79Å; F164-L174 HydrophobicContact CE1-CG 4.42Å; F164-L174 HydrophobicContact CE2-CD1 4.39Å; F164-L174 HydrophobicContact CZ-CD1 3.89Å; L174-H176 WeakPolarHBondContact CD1-O 3.37Å
175V94.7Very high92.9Very high19 Ų1974 Ų7412%0.11536%0.361CS..EExtended strand (participates in β ladder)trans-111.2-26.7177.5-58.30000112.6I163 K165 Q173 T198 F199I163-V175 HydrophobicContact CB-CG2 4Å; I163-V175 HydrophobicContact CG2-CG2 3.75Å; I163-V175 VanDerWaalsContact O-CG2 3.24Å; I163-V175 WeakPolarHBondContact O-CG2 3.33Å; I163-V175 PolarHBondContact O-N 2.8Å; K165-V175 HydrophobicContact CB-CG1 3.83Å; K165-V175 HydrophobicContact CD-CG1 3.83Å; K165-V175 HydrophobicContact CG-CG1 3.55Å; Q173-V175 PolarHBondContact O-N 2.99Å; V175-T198 HydrophobicContact CB-CG2 4.45Å; V175-T198 WeakPolarHBondContact CG1-O 3.3Å; V175-F199 HydrophobicContact CG2-CD2 3.97Å; V175-F199 HydrophobicContact CG2-CE2 4.39Å
176H97.1Very high93Very high44 Ų4476.7 Ų76.720%0.20438%0.377CS..EExtended strand (participates in β ladder)trans-158.7145.6176.7-169.169.7000111.3I163 L174 F192 V194I163-H176 HydrophobicContact CB-CB 4.5Å; I163-H176 PolarHBondContact N-O 3.02Å; I163-H176 PolarHBondContact O-N 2.91Å; L174-H176 WeakPolarHBondContact CD1-O 3.37Å; H176-F192 HydrophobicContact CB-CE2 4.38Å; H176-F192 AromaticContact CD2-CD1 3.96Å; H176-F192 AromaticContact CD2-CD2 3.45Å; H176-F192 VanDerWaalsContact CD2-CD2 3.45Å; H176-F192 WeakPolarHBondContact CD2-CD2 3.03Å; H176-F192 AromaticContact CD2-CE1 3.96Å; H176-F192 AromaticContact CD2-CE2 3.45Å; H176-F192 VanDerWaalsContact CD2-CE2 3.45Å; H176-F192 WeakPolarHBondContact CD2-CE2 2.98Å; H176-F192 AromaticContact CD2-CG 3.71Å; H176-F192 AromaticContact CD2-CZ 3.71Å; H176-F192 AromaticContact CE1-CD2 3.72Å; H176-F192 AromaticContact CE1-CG 3.75Å; H176-F192 AromaticContact CG-CD2 3.8Å; H176-F192 AromaticContact CG-CE2 3.83Å; H176-F192 AromaticContact ND1-CD2 3.95Å; H176-F192 AromaticContact NE2-CD1 3.6Å; H176-F192 AromaticContact NE2-CD2 3.4Å; H176-F192 WeakPolarHBondContact NE2-CD2 3.13Å; H176-F192 AromaticContact NE2-CE2 3.9Å; H176-F192 AromaticContact NE2-CG 3.23Å; H176-F192 WeakPolarHBondContact NE2-CG 3.49Å; H176-V194 HydrophobicContact CB-CG2 4.03Å
177R97.4Very high93.3Very high132 Ų13273.2 Ų73.250%0.49836%0.361SS..EExtended strand (participates in β ladder)trans-127.9128.8169.8-176.3-174.7-69.1171.4-4.4108.5F160 L161 E162F160-R177 HydrophobicContact CD2-CG 3.81Å; F160-R177 HydrophobicContact CE2-CG 4.22Å; L161-R177 VanDerWaalsContact O-CA 3.31Å; L161-R177 WeakPolarHBondContact O-CA 3.2Å; E162-R177 HydrophobicContact CG-CG 4.09Å; E162-R177 IonicContact OE1-CZ 3.73Å; E162-R177 IonicContact OE1-NE 2.57Å; E162-R177 PolarHBondContact OE1-NE 3.33Å; E162-R177 IonicContact OE1-NH2 2.58Å; E162-R177 PolarHBondContact OE1-NH2 2.87Å
178T97.8Very high94Very high10 Ų1075.3 Ų75.36%0.06137%0.374CS..PPolyproline II helixtrans-76171.4176.864.90000111.4L161 W189 F192L161-T178 HydrophobicContact CB-CG2 3.95Å; L161-T178 PolarHBondContact N-OG1 2.74Å; L161-T178 PolarHBondContact O-N 3.49Å; T178-W189 HydrophobicContact CG2-CB 4.18Å; T178-W189 HydrophobicContact CG2-CG 4.13Å; T178-W189 VanDerWaalsContact OG1-CD1 3.28Å; T178-W189 PolarHBondContact OG1-NE1 3.46Å; T178-F192 HydrophobicContact CG2-CE1 4.22Å
179E96.1Very high94.8Very high63 Ų6366 Ų6629%0.29433%0.33SS..PPolyproline II helixtrans-67158.7166.479.2-75-172.800112.1V181 W189 K190E179-V181 HydrophobicContact CG-CG2 4.48Å; E179-W189 PolarHBondContact O-NE1 3.02Å; E179-W189 VanDerWaalsContact OE1-CA 3.28Å; E179-W189 WeakPolarHBondContact OE1-CA 3.16Å; E179-K190 WeakPolarHBondContact OE1-CG 3.31Å; E179-K190 PolarHBondContact OE1-N 2.81Å; E179-K190 PolarHBondContact OE2-N 3.19Å
180V96.6Very high95.4Very high52 Ų5268.3 Ų68.332%0.31534%0.335SS..PPolyproline II helixtrans-81.2127.6172176.40000109.4D158 F160 H215D158-V180 HydrophobicContact CB-CG1 3.85Å; F160-V180 HydrophobicContact CB-CG2 4.16Å; F160-V180 HydrophobicContact CD1-CG2 4.16Å; F160-V180 HydrophobicContact CG-CG2 4.31Å; V180-H215 HydrophobicContact CB-CB 4.43Å; V180-H215 HydrophobicContact CG1-CB 3.63Å; V180-H215 HydrophobicContact CG2-CB 3.86Å
181V96.4Very high95.9Very high27 Ų2773 Ų7316%0.16435%0.345CS..  trans-106.4105.6176.1-178.40000109.2D158 P159 E179 N184 P187 W189D158-V181 CarbonylContact C-O 3.55Å; D158-V181 WeakPolarHBondContact CA-O 3.46Å; P159-V181 WeakPolarHBondContact CD-O 3.23Å; P159-V181 PolarHBondContact O-N 3.46Å; P159-V181 VanDerWaalsContact O-N 3.14Å; E179-V181 HydrophobicContact CG-CG2 4.48Å; V181-N184 HydrophobicContact CG1-CB 3.86Å; V181-P187 HydrophobicContact CB-CB 3.93Å; V181-P187 HydrophobicContact CG1-CB 4.01Å; V181-P187 HydrophobicContact CG2-CB 4.12Å; V181-W189 HydrophobicContact CG2-CG 4.44Å
182K94.8Very high96.1Very high161 Ų16167 Ų6770%0.732%0.319SS*.THydrogen-bonded Turntrans-68.9141.3-172.6-60.6-170.3176.6-1700114.1D158 N184D158-K182 WeakPolarHBondContact OD1-CA 3.43Å; K182-N184 PolarHBondContact O-N 2.97Å
183N93.6Very high96Very high91 Ų9165 Ų6549%0.48732%0.321SS..THydrogen-bonded Turntrans52.149.4169.2-168.37.7000112.7K156 S157 D158K156-N183 WeakPolarHBondContact CB-OD1 3.33Å; K156-N183 WeakPolarHBondContact CD-O 3.16Å; K156-N183 WeakPolarHBondContact CG-OD1 3.46Å; K156-N183 PolarHBondContact N-OD1 3.26Å; K156-N183 WeakPolarHBondContact O-CA 3.39Å; S157-N183 CarbonylContact O-C 3.52Å; S157-N183 PolarHBondContact O-N 3.07Å; D158-N183 PolarHBondContact OD1-N 3.32Å
184N94.6Very high96Very high47 Ų4761.1 Ų61.125%0.25130%0.303SS..  trans-144.7116.2-171.4-163.4-9.5000113.6S157 P159 V181 K182 N186S157-N184 PolarHBondContact O-N 3.02Å; P159-N184 WeakPolarHBondContact CD-O 3.45Å; P159-N184 WeakPolarHBondContact CG-O 3.46Å; V181-N184 HydrophobicContact CG1-CB 3.86Å; K182-N184 PolarHBondContact O-N 2.97Å; N184-N186 VanDerWaalsContact C-N 3.35Å; N184-N186 WeakPolarHBondContact OD1-CA 3.26Å; N184-N186 PolarHBondContact OD1-N 3.1Å; N184-N186 PolarHBondContact OD1-O 3.02Å
185L95.8Very high95.8Very high35 Ų3560.1 Ų60.118%0.18330%0.301CS..SBendtrans-88.9-1.5174.2-54.4-178.5000113.6K146 K147 L148 K150 K156 P187K146-L185 CarbonylContact C-O 3.6Å; K147-L185 PolarHBondContact N-O 2.86Å; K147-L185 VanDerWaalsContact N-O 3.11Å; L148-L185 HydrophobicContact CB-CB 4.42Å; L148-L185 HydrophobicContact CB-CD2 4.48Å; L148-L185 PolarHBondContact N-O 3.36Å; L148-L185 WeakPolarHBondContact O-CD2 3.21Å; K150-L185 HydrophobicContact CB-CD1 4.45Å; K150-L185 HydrophobicContact CB-CD2 4.48Å; K156-L185 HydrophobicContact CB-CD2 3.86Å; K156-L185 HydrophobicContact CB-CG 3.9Å; K156-L185 HydrophobicContact CD-CG 4.1Å; K156-L185 HydrophobicContact CG-CD1 4.28Å; K156-L185 HydrophobicContact CG-CD2 4.45Å; K156-L185 HydrophobicContact CG-CG 4Å; L185-P187 VanDerWaalsContact C-CD 3.44Å
186N97.9Very high95.7Very high84 Ų8459.3 Ų59.345%0.44930%0.296SS..SBendtrans-132.758.2176.1-47.5-87.5000110.1A145 K146 K147 N184A145-N186 CarbonylContact O-C 3.33Å; A145-N186 VanDerWaalsContact O-C 3.27Å; A145-N186 WeakPolarHBondContact O-CA 3.21Å; K146-N186 WeakPolarHBondContact CA-OD1 3.46Å; K147-N186 PolarHBondContact N-OD1 2.95Å; N184-N186 VanDerWaalsContact C-N 3.35Å; N184-N186 WeakPolarHBondContact OD1-CA 3.26Å; N184-N186 PolarHBondContact OD1-N 3.1Å; N184-N186 PolarHBondContact OD1-O 3.02Å
187P97.7Very high95.4Very high0 Ų062 Ų620%031%0.309CS..  trans-67.8149.4-175.633.2-40.2000111.5E144 A145 L148 P159 V181 L185 W189E144-P187 CarbonylContact C-O 3.6Å; E144-P187 VanDerWaalsContact CA-O 3.24Å; E144-P187 WeakPolarHBondContact CA-O 3.27Å; E144-P187 WeakPolarHBondContact CB-O 3.17Å; A145-P187 HydrophobicContact CB-CG 3.92Å; A145-P187 PolarHBondContact N-O 3.35Å; L148-P187 HydrophobicContact CD1-CG 3.78Å; P159-P187 HydrophobicContact CB-CG 4.29Å; P159-P187 HydrophobicContact CG-CB 3.86Å; P159-P187 HydrophobicContact CG-CG 3.55Å; V181-P187 HydrophobicContact CB-CB 3.93Å; V181-P187 HydrophobicContact CG1-CB 4.01Å; V181-P187 HydrophobicContact CG2-CB 4.12Å; L185-P187 VanDerWaalsContact C-CD 3.44Å; P187-W189 HydrophobicContact CB-CD2 4.47Å; P187-W189 HydrophobicContact CB-CH2 4.32Å; P187-W189 HydrophobicContact CB-CZ2 3.94Å; P187-W189 HydrophobicContact CG-CH2 3.46Å; P187-W189 VanDerWaalsContact CG-CH2 3.46Å; P187-W189 HydrophobicContact CG-CZ2 3.4Å; P187-W189 HydrophobicContact CG-CZ3 4.07Å
188S97.2Very high95Very high56 Ų5658.7 Ų58.739%0.39230%0.304SS..BIsolated β-bridgetrans-121120.1160.7-167.90000106.2K267S188-K267 PolarHBondContact OG-NZ 3.06Å; S188-K267 VanDerWaalsContact OG-NZ 3.12Å
189W97.8Very high94.9Very high7 Ų758.2 Ų58.23%0.02730%0.301CS..PPolyproline II helixtrans-87.6158.8-179.5-62.4-81.4000111.1L143 A145 P159 L161 T178 E179 V181 P187L143-W189 HydrophobicContact CB-CE3 3.94Å; L143-W189 HydrophobicContact CB-CZ3 4.44Å; L143-W189 PolarHBondContact O-N 3.32Å; L143-W189 VanDerWaalsContact O-N 3.11Å; A145-W189 HydrophobicContact CB-CH2 3.64Å; A145-W189 HydrophobicContact CB-CZ3 3.87Å; P159-W189 HydrophobicContact CB-CZ2 4.16Å; P159-W189 HydrophobicContact CG-CZ2 4.46Å; P159-W189 PolarHBondContact O-NE1 2.92Å; L161-W189 HydrophobicContact CD1-CD2 4.28Å; L161-W189 HydrophobicContact CD1-CE3 3.75Å; L161-W189 HydrophobicContact CD1-CH2 3.8Å; L161-W189 HydrophobicContact CD1-CZ2 4.33Å; L161-W189 HydrophobicContact CD1-CZ3 3.5Å; L161-W189 VanDerWaalsContact CD1-CZ3 3.5Å; L161-W189 HydrophobicContact CD2-CH2 3.73Å; L161-W189 HydrophobicContact CD2-CZ2 4.08Å; L161-W189 HydrophobicContact CD2-CZ3 4.28Å; L161-W189 HydrophobicContact CG-CD2 4.29Å; L161-W189 HydrophobicContact CG-CE3 4.17Å; L161-W189 HydrophobicContact CG-CH2 3.59Å; L161-W189 HydrophobicContact CG-CZ2 3.74Å; L161-W189 HydrophobicContact CG-CZ3 3.84Å; T178-W189 HydrophobicContact CG2-CB 4.18Å; T178-W189 HydrophobicContact CG2-CG 4.13Å; T178-W189 VanDerWaalsContact OG1-CD1 3.28Å; T178-W189 PolarHBondContact OG1-NE1 3.46Å; E179-W189 PolarHBondContact O-NE1 3.02Å; E179-W189 VanDerWaalsContact OE1-CA 3.28Å; E179-W189 WeakPolarHBondContact OE1-CA 3.16Å; V181-W189 HydrophobicContact CG2-CG 4.44Å; P187-W189 HydrophobicContact CB-CD2 4.47Å; P187-W189 HydrophobicContact CB-CH2 4.32Å; P187-W189 HydrophobicContact CB-CZ2 3.94Å; P187-W189 HydrophobicContact CG-CH2 3.46Å; P187-W189 VanDerWaalsContact CG-CH2 3.46Å; P187-W189 HydrophobicContact CG-CZ2 3.4Å; P187-W189 HydrophobicContact CG-CZ3 4.07Å
190K96.6Very high94.7Very high153 Ų15355.3 Ų55.367%0.66529%0.287SS*.PPolyproline II helixtrans-60.1140174.1-73173.3-176.2177.80109.7E179 F192E179-K190 WeakPolarHBondContact OE1-CG 3.31Å; E179-K190 PolarHBondContact OE1-N 2.81Å; E179-K190 PolarHBondContact OE2-N 3.19Å; K190-F192 PolarHBondContact O-N 3.42Å
191K95.8Very high94.4Very high135 Ų13554.3 Ų54.359%0.58728%0.282SS*.PPolyproline II helixtrans-58135.1170.2-179.9-178.8177.5-176.40110V140 L141V140-K191 HydrophobicContact CG1-CD 4.17Å; V140-K191 HydrophobicContact CG1-CG 4.04Å; L141-K191 WeakPolarHBondContact O-CA 3.42Å
192F95.5Very high94Very high21 Ų2154.6 Ų54.69%0.09229%0.285CS..EExtended strand (participates in β ladder)trans-134.7165.4-179.665-90.9000111.9V140 L141 L143 I163 H176 T178 K190 V194V140-F192 WeakPolarHBondContact CA-O 3.46Å; L141-F192 HydrophobicContact CB-CD1 4.45Å; L141-F192 HydrophobicContact CB-CD2 4.5Å; L141-F192 HydrophobicContact CB-CE1 3.82Å; L141-F192 HydrophobicContact CB-CE2 3.88Å; L141-F192 HydrophobicContact CB-CZ 3.5Å; L141-F192 VanDerWaalsContact CB-CZ 3.5Å; L141-F192 HydrophobicContact CD1-CE2 3.82Å; L141-F192 HydrophobicContact CD1-CZ 3.66Å; L141-F192 HydrophobicContact CG-CE2 4.43Å; L141-F192 HydrophobicContact CG-CZ 4.22Å; L141-F192 PolarHBondContact N-O 3.26Å; L141-F192 PolarHBondContact O-N 3.23Å; L141-F192 VanDerWaalsContact O-N 3.11Å; L143-F192 HydrophobicContact CD1-CE1 3.8Å; L143-F192 HydrophobicContact CD1-CZ 3.97Å; L143-F192 HydrophobicContact CG-CE1 4.22Å; I163-F192 HydrophobicContact CD1-CE2 4.14Å; I163-F192 HydrophobicContact CD1-CZ 3.63Å; H176-F192 HydrophobicContact CB-CE2 4.38Å; H176-F192 AromaticContact CD2-CD1 3.96Å; H176-F192 AromaticContact CD2-CD2 3.45Å; H176-F192 VanDerWaalsContact CD2-CD2 3.45Å; H176-F192 WeakPolarHBondContact CD2-CD2 3.03Å; H176-F192 AromaticContact CD2-CE1 3.96Å; H176-F192 AromaticContact CD2-CE2 3.45Å; H176-F192 VanDerWaalsContact CD2-CE2 3.45Å; H176-F192 WeakPolarHBondContact CD2-CE2 2.98Å; H176-F192 AromaticContact CD2-CG 3.71Å; H176-F192 AromaticContact CD2-CZ 3.71Å; H176-F192 AromaticContact CE1-CD2 3.72Å; H176-F192 AromaticContact CE1-CG 3.75Å; H176-F192 AromaticContact CG-CD2 3.8Å; H176-F192 AromaticContact CG-CE2 3.83Å; H176-F192 AromaticContact ND1-CD2 3.95Å; H176-F192 AromaticContact NE2-CD1 3.6Å; H176-F192 AromaticContact NE2-CD2 3.4Å; H176-F192 WeakPolarHBondContact NE2-CD2 3.13Å; H176-F192 AromaticContact NE2-CE2 3.9Å; H176-F192 AromaticContact NE2-CG 3.23Å; H176-F192 WeakPolarHBondContact NE2-CG 3.49Å; T178-F192 HydrophobicContact CG2-CE1 4.22Å; K190-F192 PolarHBondContact O-N 3.42Å; F192-V194 HydrophobicContact CD2-CG2 3.85Å; F192-V194 HydrophobicContact CE2-CG2 4.02Å
193S94.1Very high93.9Very high58 Ų5850 Ų5041%0.40627%0.269SS..EExtended strand (participates in β ladder)trans-133.5138.8176.8-174.30000111.1I139I139-S193 CarbonylContact O-C 3.6Å; I139-S193 VanDerWaalsContact O-CA 3.23Å; I139-S193 WeakPolarHBondContact O-CA 3.34Å; I139-S193 PolarHBondContact O-OG 2.84Å
194V93Very high93.9Very high6 Ų648 Ų484%0.03626%0.257CS..EExtended strand (participates in β ladder)trans-134.8133.9178.3-171.90000109.2A138 I139 H176 F192 L196 T198 F199A138-V194 CarbonylContact C-O 3.56Å; A138-V194 WeakPolarHBondContact CA-O 3.43Å; A138-V194 WeakPolarHBondContact CB-O 3.08Å; I139-V194 HydrophobicContact CG2-CB 4.24Å; I139-V194 PolarHBondContact N-O 2.72Å; I139-V194 PolarHBondContact O-N 3.33Å; H176-V194 HydrophobicContact CB-CG2 4.03Å; F192-V194 HydrophobicContact CD2-CG2 3.85Å; F192-V194 HydrophobicContact CE2-CG2 4.02Å; V194-L196 PolarHBondContact O-N 2.93Å; V194-T198 HydrophobicContact CG1-CG2 3.91Å; V194-F199 HydrophobicContact CB-CB 4.27Å; V194-F199 HydrophobicContact CB-CD2 4.07Å; V194-F199 HydrophobicContact CG1-CB 3.95Å; V194-F199 HydrophobicContact CG1-CD2 4.21Å; V194-F199 HydrophobicContact CG2-CD2 4.32Å
195P91.8Very high93.9Very high62 Ų6250.2 Ų50.240%0.40327%0.266SS..EExtended strand (participates in β ladder)trans-53.4138171.6-25.234.3000111.4Q197 T198 F199P195-Q197 VanDerWaalsContact C-N 3.28Å; P195-Q197 PolarHBondContact O-N 3.44Å; P195-T198 WeakPolarHBondContact O-CA 3.39Å; P195-T198 WeakPolarHBondContact O-CB 3.43Å; P195-T198 PolarHBondContact O-N 3.06Å; P195-F199 WeakPolarHBondContact O-CB 3.48Å; P195-F199 PolarHBondContact O-N 3.05Å
196L92.8Very high93.8Very high1 Ų151.9 Ų51.91%0.00527%0.272CS..Hα-helixtrans-64.3-34.8-173.7-166.471.3000112R137 I139 V194 T198 F199 C200 S201 S202 L271R137-L196 HydrophobicContact CB-CB 4.14Å; R137-L196 HydrophobicContact CB-CD2 4.14Å; R137-L196 VanDerWaalsContact O-CB 3.31Å; R137-L196 WeakPolarHBondContact O-CB 3.44Å; R137-L196 PolarHBondContact O-N 3.12Å; I139-L196 HydrophobicContact CB-CD1 4.47Å; V194-L196 PolarHBondContact O-N 2.93Å; L196-T198 VanDerWaalsContact C-N 3.33Å; L196-T198 PolarHBondContact O-N 3.28Å; L196-F199 PolarHBondContact O-N 3.47Å; L196-C200 VanDerWaalsContact CD1-SG 3.57Å; L196-C200 PolarHBondContact O-N 3.29Å; L196-S201 PolarHBondContact O-N 3.11Å; L196-S202 PolarHBondContact O-N 2.73Å; L196-L271 HydrophobicContact CD1-CD1 3.92Å; L196-L271 HydrophobicContact CD2-CD1 4.17Å
197Q89.5Confident93.7Very high101 Ų10150.1 Ų50.147%0.47227%0.265SS..Hα-helixtrans-59.9-42.2171.1-178.36211.400112.2K165 P195 S201 S202K165-Q197 PolarHBondContact NZ-O 2.82Å; P195-Q197 VanDerWaalsContact C-N 3.28Å; P195-Q197 PolarHBondContact O-N 3.44Å; Q197-S201 WeakPolarHBondContact O-CA 3.33Å; Q197-S201 PolarHBondContact O-N 3.27Å; Q197-S201 VanDerWaalsContact OE1-C 3.26Å; Q197-S202 WeakPolarHBondContact CA-OG 3.4Å; Q197-S202 PolarHBondContact OE1-OG 2.95Å
198T90.6Very high93.7Very high63 Ų6350.1 Ų50.139%0.38727%0.265SS..Hα-helixtrans-68-45.2175.4-590000110.3K165 V175 V194 P195 L196K165-T198 VanDerWaalsContact CD-O 3.27Å; K165-T198 WeakPolarHBondContact CD-O 3.23Å; K165-T198 WeakPolarHBondContact CE-O 3.5Å; K165-T198 PolarHBondContact NZ-O 3.02Å; V175-T198 HydrophobicContact CB-CG2 4.45Å; V175-T198 WeakPolarHBondContact CG1-O 3.3Å; V194-T198 HydrophobicContact CG1-CG2 3.91Å; P195-T198 WeakPolarHBondContact O-CA 3.39Å; P195-T198 WeakPolarHBondContact O-CB 3.43Å; P195-T198 PolarHBondContact O-N 3.06Å; L196-T198 VanDerWaalsContact C-N 3.33Å; L196-T198 PolarHBondContact O-N 3.28Å
199F94.1Very high93.8Very high0 Ų050 Ų500%026%0.257CS..Hα-helixtrans-69.4-48.2-172.2-168.8-103.8000113.9I139 L141 I163 K165 V175 V194 P195 L196 L208 A231 L234I139-F199 HydrophobicContact CB-CD1 4.47Å; I139-F199 HydrophobicContact CD1-CD1 3.88Å; I139-F199 HydrophobicContact CD1-CE1 3.48Å; I139-F199 VanDerWaalsContact CD1-CE1 3.48Å; I139-F199 HydrophobicContact CD1-CZ 4.05Å; I139-F199 HydrophobicContact CG2-CB 4.11Å; I139-F199 HydrophobicContact CG2-CD1 3.79Å; I139-F199 HydrophobicContact CG2-CD2 3.7Å; I139-F199 HydrophobicContact CG2-CE1 4.07Å; I139-F199 HydrophobicContact CG2-CE2 3.99Å; I139-F199 HydrophobicContact CG2-CG 3.59Å; I139-F199 HydrophobicContact CG2-CZ 4.17Å; L141-F199 HydrophobicContact CD1-CE2 3.82Å; L141-F199 HydrophobicContact CD1-CZ 3.65Å; I163-F199 HydrophobicContact CD1-CE2 4.22Å; I163-F199 HydrophobicContact CG2-CE2 3.85Å; I163-F199 HydrophobicContact CG2-CZ 4.21Å; K165-F199 WeakPolarHBondContact CB-O 3.36Å; V175-F199 HydrophobicContact CG2-CD2 3.97Å; V175-F199 HydrophobicContact CG2-CE2 4.39Å; V194-F199 HydrophobicContact CB-CB 4.27Å; V194-F199 HydrophobicContact CB-CD2 4.07Å; V194-F199 HydrophobicContact CG1-CB 3.95Å; V194-F199 HydrophobicContact CG1-CD2 4.21Å; V194-F199 HydrophobicContact CG2-CD2 4.32Å; P195-F199 WeakPolarHBondContact O-CB 3.48Å; P195-F199 PolarHBondContact O-N 3.05Å; L196-F199 PolarHBondContact O-N 3.47Å; F199-L208 HydrophobicContact CD1-CD1 4.06Å; F199-L208 HydrophobicContact CE1-CD1 3.3Å; F199-L208 HydrophobicContact CZ-CD1 3.73Å; F199-L208 WeakPolarHBondContact O-CD2 3.46Å; F199-A231 HydrophobicContact CD1-CB 4.37Å; F199-A231 HydrophobicContact CE1-CB 4.13Å; F199-L234 HydrophobicContact CE1-CD1 3.98Å; F199-L234 HydrophobicContact CZ-CD1 3.77Å
200C92.8Very high93.8Very high1 Ų150 Ų501%0.00726%0.258CS..Hα-helixtrans-142.921.2-175.967.70000113.3L196 S202 D203 L208 A231L196-C200 VanDerWaalsContact CD1-SG 3.57Å; L196-C200 PolarHBondContact O-N 3.29Å; C200-S202 PolarHBondContact O-N 2.83Å; C200-D203 WeakPolarHBondContact CB-O 3.14Å; C200-D203 PolarHBondContact O-N 3.19Å; C200-D203 VanDerWaalsContact O-N 3.17Å; C200-D203 PolarHBondContact SG-O 2.91Å; C200-L208 HydrophobicContact CB-CD2 4.19Å; C200-A231 HydrophobicContact CB-CB 4.46Å
201S89.9Confident93.8Very high31 Ų3143.4 Ų43.422%0.21723%0.23CC..THydrogen-bonded Turntrans55.638.7-177.3-55.10000112.5L196 Q197 D203L196-S201 PolarHBondContact O-N 3.11Å; Q197-S201 WeakPolarHBondContact O-CA 3.33Å; Q197-S201 PolarHBondContact O-N 3.27Å; Q197-S201 VanDerWaalsContact OE1-C 3.26Å; S201-D203 PolarHBondContact O-N 3.06Å
202S88.8Confident94Very high33 Ų3337 Ų3723%0.23120%0.202CC..THydrogen-bonded Turntrans634.6-180-52.40000115.4D135 R137 L196 Q197 C200D135-S202 WeakPolarHBondContact CB-OG 3.29Å; D135-S202 WeakPolarHBondContact OD2-CB 3.19Å; D135-S202 PolarHBondContact OD2-OG 3.39Å; R137-S202 PolarHBondContact NH2-O 3.2Å; L196-S202 PolarHBondContact O-N 2.73Å; Q197-S202 WeakPolarHBondContact CA-OG 3.4Å; Q197-S202 PolarHBondContact OE1-OG 2.95Å; C200-S202 PolarHBondContact O-N 2.83Å
203D91.6Very high94Very high66 Ų6636.4 Ų36.435%0.35320%0.201SC..  trans-108.9109179.1-177.9-11.7000109.1C200 S201 E205 K206C200-D203 WeakPolarHBondContact CB-O 3.14Å; C200-D203 PolarHBondContact O-N 3.19Å; C200-D203 VanDerWaalsContact O-N 3.17Å; C200-D203 PolarHBondContact SG-O 2.91Å; S201-D203 PolarHBondContact O-N 3.06Å; D203-E205 PolarHBondContact O-N 3.19Å; D203-E205 WeakPolarHBondContact OD1-CB 3.32Å; D203-E205 PolarHBondContact OD1-N 3.44Å; D203-K206 HydrophobicContact CB-CB 4.49Å; D203-K206 HydrophobicContact CB-CD 3.88Å; D203-K206 HydrophobicContact CB-CG 3.88Å; D203-K206 PolarHBondContact O-N 3.27Å; D203-K206 WeakPolarHBondContact OD2-CE 3.33Å
204M94.1Very high94Very high47 Ų4733.7 Ų33.723%0.23218%0.182CC..THydrogen-bonded Turntrans-70.5-13.4-174.8-63.8-176.468.200113.4A231 S232 M235M204-A231 HydrophobicContact CB-CB 4.28Å; M204-A231 HydrophobicContact CG-CB 4.48Å; M204-A231 PolarHBondContact O-N 3.43Å; M204-S232 PolarHBondContact O-N 2.97Å; M204-S232 VanDerWaalsContact O-N 3.11Å; M204-S232 PolarHBondContact O-OG 3.08Å; M204-M235 HydrophobicContact CE-CB 4.34Å; M204-M235 HydrophobicContact CE-CG 3.61Å
205E95.6Very high94Very high94 Ų9436.4 Ų36.444%0.43919%0.194SC..THydrogen-bonded Turntrans-95.3-8.8-178.5-66.6-57127.700113.3D203 K230 S232D203-E205 PolarHBondContact O-N 3.19Å; D203-E205 WeakPolarHBondContact OD1-CB 3.32Å; D203-E205 PolarHBondContact OD1-N 3.44Å; E205-K230 WeakPolarHBondContact O-CD 3.1Å; E205-K230 WeakPolarHBondContact O-CE 3.33Å; E205-K230 WeakPolarHBondContact OE2-CD 3.5Å; E205-K230 IonicContact OE2-NZ 2.86Å; E205-K230 PolarHBondContact OE2-NZ 2.94Å; E205-S232 WeakPolarHBondContact OE1-CB 3.39Å; E205-S232 PolarHBondContact OE1-OG 3.46Å
206K93.3Very high93.7Very high71 Ų7135 Ų3531%0.30918%0.183SC..SBendtrans-64.7138.2176.7-81.7-178-175176.20111.4D203 L208D203-K206 HydrophobicContact CB-CB 4.49Å; D203-K206 HydrophobicContact CB-CD 3.88Å; D203-K206 HydrophobicContact CB-CG 3.88Å; D203-K206 PolarHBondContact O-N 3.27Å; D203-K206 WeakPolarHBondContact OD2-CE 3.33Å; K206-L208 PolarHBondContact O-N 2.69Å
207P95.9Very high93.1Very high47 Ų4740.8 Ų40.831%0.30522%0.224SC..EExtended strand (participates in β ladder)trans-59.4136.2176-24.234.2000112.5W172 T228W172-P207 HydrophobicContact CH2-CB 4.04Å; P207-T228 HydrophobicContact CB-CG2 4.21Å
208L97.6Very high92.7Very high0 Ų041.9 Ų41.90%023%0.232CC..EExtended strand (participates in β ladder)trans-116.1139.1170.1-61.6174.8000108.7F164 K165 F199 C200 K206 T228 T229 A231 L234F164-L208 WeakPolarHBondContact O-CA 3.11Å; K165-L208 HydrophobicContact CB-CD2 4.14Å; F199-L208 HydrophobicContact CD1-CD1 4.06Å; F199-L208 HydrophobicContact CE1-CD1 3.3Å; F199-L208 HydrophobicContact CZ-CD1 3.73Å; F199-L208 WeakPolarHBondContact O-CD2 3.46Å; C200-L208 HydrophobicContact CB-CD2 4.19Å; K206-L208 PolarHBondContact O-N 2.69Å; L208-T228 CarbonylContact O-C 3.5Å; L208-T228 VanDerWaalsContact O-CA 3.22Å; L208-T228 WeakPolarHBondContact O-CA 3.37Å; L208-T228 WeakPolarHBondContact O-CG2 3.3Å; L208-T229 HydrophobicContact CB-CG2 4.14Å; L208-T229 PolarHBondContact N-O 3.46Å; L208-T229 PolarHBondContact O-N 2.71Å; L208-A231 HydrophobicContact CD1-CB 4.32Å; L208-L234 HydrophobicContact CD1-CD1 4.09Å
209K97.8Very high92Very high52 Ų5241.2 Ų41.223%0.22624%0.239CC..EExtended strand (participates in β ladder)trans-108.2136.3171.1178174.7-174.2-101.90108.6F164 W172 D211F164-K209 HydrophobicContact CB-CB 4.29Å; F164-K209 PolarHBondContact N-O 3.49Å; F164-K209 PolarHBondContact O-N 3.46Å; W172-K209 HydrophobicContact CD2-CB 3.91Å; W172-K209 HydrophobicContact CD2-CD 4.05Å; W172-K209 HydrophobicContact CE3-CB 3.69Å; W172-K209 HydrophobicContact CG-CD 4.21Å; W172-K209 HydrophobicContact CH2-CB 3.82Å; W172-K209 HydrophobicContact CZ2-CB 4.01Å; W172-K209 HydrophobicContact CZ2-CD 4.37Å; W172-K209 HydrophobicContact CZ3-CB 3.65Å; K209-D211 WeakPolarHBondContact CE-OD1 3.2Å; K209-D211 IonicContact NZ-OD1 3.72Å; K209-D211 PolarHBondContact NZ-OD1 2.79Å; K209-D211 IonicContact NZ-OD2 3.43Å; K209-D211 PolarHBondContact NZ-OD2 3.39Å
210V98.2Very high91.5Very high7 Ų744.7 Ų44.74%0.04226%0.263CS..EExtended strand (participates in β ladder)trans-122.3123.1174-175.50000108L161 E162 I163 S226 F227L161-V210 HydrophobicContact CB-CG1 4.46Å; L161-V210 HydrophobicContact CD2-CG1 4.23Å; E162-V210 CarbonylContact O-C 3.55Å; E162-V210 WeakPolarHBondContact O-CA 3.18Å; I163-V210 HydrophobicContact CG1-CG1 4.43Å; I163-V210 HydrophobicContact CG1-CG2 4.31Å; I163-V210 HydrophobicContact CG2-CG2 4.35Å; V210-S226 CarbonylContact O-C 3.02Å; V210-S226 VanDerWaalsContact O-CA 3.24Å; V210-S226 WeakPolarHBondContact O-CA 3.14Å; V210-F227 HydrophobicContact CB-CD1 4.09Å; V210-F227 HydrophobicContact CB-CD2 4.24Å; V210-F227 HydrophobicContact CB-CE1 3.59Å; V210-F227 HydrophobicContact CB-CE2 3.76Å; V210-F227 HydrophobicContact CB-CG 4.4Å; V210-F227 HydrophobicContact CB-CZ 3.42Å; V210-F227 VanDerWaalsContact CB-CZ 3.42Å; V210-F227 HydrophobicContact CG1-CD1 4.49Å; V210-F227 HydrophobicContact CG1-CE1 3.64Å; V210-F227 HydrophobicContact CG1-CE2 4.44Å; V210-F227 HydrophobicContact CG1-CZ 3.62Å; V210-F227 HydrophobicContact CG2-CD2 4.37Å; V210-F227 HydrophobicContact CG2-CE1 4.33Å; V210-F227 HydrophobicContact CG2-CE2 3.65Å; V210-F227 HydrophobicContact CG2-CZ 3.64Å; V210-F227 PolarHBondContact N-O 2.75Å; V210-F227 PolarHBondContact O-N 3.5Å
211D98.1Very high91.3Very high16 Ų1647.5 Ų47.59%0.08628%0.276CS..EExtended strand (participates in β ladder)trans-106.3130.1173.3-65.4-21.9000108.8L161 E162 F164 K209 L223 S226L161-D211 CarbonylContact C-O 3.55Å; L161-D211 WeakPolarHBondContact CA-O 3.24Å; E162-D211 PolarHBondContact N-O 3.14Å; E162-D211 PolarHBondContact O-N 2.78Å; F164-D211 HydrophobicContact CE2-CB 4.14Å; F164-D211 WeakPolarHBondContact CE2-OD2 3.45Å; K209-D211 WeakPolarHBondContact CE-OD1 3.2Å; K209-D211 IonicContact NZ-OD1 3.72Å; K209-D211 PolarHBondContact NZ-OD1 2.79Å; K209-D211 IonicContact NZ-OD2 3.43Å; K209-D211 PolarHBondContact NZ-OD2 3.39Å; D211-L223 HydrophobicContact CB-CD1 3.97Å; D211-S226 WeakPolarHBondContact OD1-CB 3.29Å; D211-S226 PolarHBondContact OD1-OG 3.47Å
212C98.1Very high91.4Very high0 Ų049.5 Ų49.50%028%0.284CS..EExtended strand (participates in β ladder)trans-105.1120.9169-1750000108F160 L161 I224 G225F160-C212 WeakPolarHBondContact O-CA 3.21Å; L161-C212 HydrophobicContact CD2-CB 3.55Å; C212-I224 WeakPolarHBondContact O-CA 3.4Å; C212-I224 VanDerWaalsContact O-CB 3.29Å; C212-I224 WeakPolarHBondContact O-CB 3.42Å; C212-I224 PolarHBondContact O-N 3.08Å; C212-G225 PolarHBondContact N-O 3.22Å; C212-G225 PolarHBondContact O-N 2.87Å; C212-G225 VanDerWaalsContact O-N 3.17Å
213S96.6Very high91.7Very high9 Ų950.2 Ų50.26%0.06329%0.285CS..EExtended strand (participates in β ladder)trans-128.6153.6-175.6-60.30000110.7P159 F160 D222P159-S213 VanDerWaalsContact CA-O 3.3Å; P159-S213 WeakPolarHBondContact CA-O 3.49Å; F160-S213 WeakPolarHBondContact CD1-O 3.44Å; F160-S213 PolarHBondContact N-O 3.31Å; F160-S213 PolarHBondContact O-N 3.35Å; F160-S213 VanDerWaalsContact O-N 3.09Å; S213-D222 CarbonylContact C-O 3.6Å; S213-D222 WeakPolarHBondContact CA-O 3.45Å
214D94.6Very high91.9Very high0 Ų047 Ų470%027%0.268CS..EExtended strand (participates in β ladder)trans-87.2138.8170.7-167.123.4000110.2K151 S157 D158 D216 H221 D222 I224K151-D214 HydrophobicContact CB-CB 3.89Å; K151-D214 WeakPolarHBondContact CB-OD2 3.23Å; K151-D214 HydrophobicContact CG-CB 4.08Å; S157-D214 VanDerWaalsContact CA-OD1 3.25Å; S157-D214 WeakPolarHBondContact CA-OD1 3.15Å; S157-D214 WeakPolarHBondContact CB-OD1 3.47Å; D158-D214 WeakPolarHBondContact CA-OD1 3.46Å; D158-D214 PolarHBondContact N-OD1 3.15Å; D214-D216 PolarHBondContact O-N 3.43Å; D214-H221 CarbonylContact O-C 3.53Å; D214-H221 VanDerWaalsContact O-CA 3.28Å; D214-H221 WeakPolarHBondContact O-CA 3.28Å; D214-H221 VanDerWaalsContact O-CB 3.24Å; D214-H221 WeakPolarHBondContact O-CB 3.18Å; D214-D222 HydrophobicContact CB-CB 4.07Å; D214-D222 PolarHBondContact N-O 3.19Å; D214-D222 PolarHBondContact O-N 2.91Å; D214-I224 HydrophobicContact CB-CD1 4.28Å; D214-I224 HydrophobicContact CB-CG1 4.29Å
215H91.6Very high92.1Very high63 Ų6344.8 Ų44.829%0.29226%0.257SS..  trans-90.9106.1-175.8177.277.1000112.5D158 F160 V180 H221D158-H215 HydrophobicContact CB-CB 4.05Å; D158-H215 WeakPolarHBondContact O-CB 3.38Å; D158-H215 PolarHBondContact O-N 2.84Å; D158-H215 VanDerWaalsContact O-N 3.12Å; F160-H215 HydrophobicContact CD1-CB 4.05Å; F160-H215 HydrophobicContact CE1-CB 4.09Å; V180-H215 HydrophobicContact CB-CB 4.43Å; V180-H215 HydrophobicContact CG1-CB 3.63Å; V180-H215 HydrophobicContact CG2-CB 3.86Å; H215-H221 AromaticContact CE1-CE1 3.45Å; H215-H221 PolarHBondContact CE1-CE1 3Å; H215-H221 VanDerWaalsContact CE1-CE1 3.45Å; H215-H221 AromaticContact ND1-CE1 3.08Å; H215-H221 PolarHBondContact ND1-CE1 3.46Å; H215-H221 AromaticContact ND1-ND1 3.63Å; H215-H221 AromaticContact ND1-NE2 3.72Å
216D86Confident92.2Very high34 Ų3441.2 Ų41.218%0.18224%0.242CC..  trans-91.4134.5166.8-59.3-70000113.5D214 D218 G219 H221 D222D214-D216 PolarHBondContact O-N 3.43Å; D216-D218 WeakPolarHBondContact CB-OD1 3.47Å; D216-D218 PolarHBondContact O-N 3.49Å; D216-G219 PolarHBondContact O-N 2.57Å; D216-H221 PolarHBondContact N-ND1 3.46Å; D216-H221 VanDerWaalsContact N-ND1 3.15Å; D216-H221 PolarHBondContact O-CE1 3.36Å; D216-H221 PolarHBondContact O-ND1 3.1Å; D216-H221 WeakPolarHBondContact OD2-CA 3.47Å; D216-D222 PolarHBondContact OD2-N 3.38Å
217S81.1Confident92.4Very high122 Ų12238.8 Ų38.885%0.85323%0.231SC*.THydrogen-bonded Turntrans-65.4-17.5-17761.20000115.1G219S217-G219 VanDerWaalsContact C-N 3.29Å
218D79.8Confident92.4Very high123 Ų12340.9 Ų40.966%0.65824%0.244SC*.THydrogen-bonded Turntrans-86.4-0.9175.966.35.6000113.2D216 S220D216-D218 WeakPolarHBondContact CB-OD1 3.47Å; D216-D218 PolarHBondContact O-N 3.49Å; D218-S220 VanDerWaalsContact C-N 3.35Å; D218-S220 WeakPolarHBondContact OD1-CB 3.45Å; D218-S220 PolarHBondContact OD1-N 3.32Å; D218-S220 PolarHBondContact OD1-OG 2.95Å; D218-S220 PolarHBondContact OD2-OG 2.64Å
219G76.1Confident92.4Very high50 Ų5041.4 Ų41.452%0.51525%0.247SC..SBendtrans85.7-1.2-179.100000114.7D216 S217 H221D216-G219 PolarHBondContact O-N 2.57Å; S217-G219 VanDerWaalsContact C-N 3.29Å; G219-H221 PolarHBondContact O-N 3.38Å; G219-H221 VanDerWaalsContact O-N 3.14Å
220S84.5Confident92.4Very high73 Ų7342.4 Ų42.451%0.5125%0.251SS..  trans-87.948.2-179.569.70000113.5D218 D222D218-S220 VanDerWaalsContact C-N 3.35Å; D218-S220 WeakPolarHBondContact OD1-CB 3.45Å; D218-S220 PolarHBondContact OD1-N 3.32Å; D218-S220 PolarHBondContact OD1-OG 2.95Å; D218-S220 PolarHBondContact OD2-OG 2.64Å; S220-D222 PolarHBondContact O-N 2.96Å
221H87.8Confident92.3Very high59 Ų5942 Ų4227%0.27325%0.249SC..PPolyproline II helixtrans-49.7124.8-172.8-55.7-32.2000114.3F160 D214 H215 D216 G219F160-H221 HydrophobicContact CE1-CB 4.19Å; F160-H221 AromaticContact CE1-CG 3.97Å; F160-H221 HydrophobicContact CZ-CB 4.1Å; F160-H221 AromaticContact CZ-CD2 3.6Å; F160-H221 AromaticContact CZ-CG 3.88Å; D214-H221 CarbonylContact O-C 3.53Å; D214-H221 VanDerWaalsContact O-CA 3.28Å; D214-H221 WeakPolarHBondContact O-CA 3.28Å; D214-H221 VanDerWaalsContact O-CB 3.24Å; D214-H221 WeakPolarHBondContact O-CB 3.18Å; H215-H221 AromaticContact CE1-CE1 3.45Å; H215-H221 PolarHBondContact CE1-CE1 3Å; H215-H221 VanDerWaalsContact CE1-CE1 3.45Å; H215-H221 AromaticContact ND1-CE1 3.08Å; H215-H221 PolarHBondContact ND1-CE1 3.46Å; H215-H221 AromaticContact ND1-ND1 3.63Å; H215-H221 AromaticContact ND1-NE2 3.72Å; D216-H221 PolarHBondContact N-ND1 3.46Å; D216-H221 VanDerWaalsContact N-ND1 3.15Å; D216-H221 PolarHBondContact O-CE1 3.36Å; D216-H221 PolarHBondContact O-ND1 3.1Å; D216-H221 WeakPolarHBondContact OD2-CA 3.47Å; G219-H221 PolarHBondContact O-N 3.38Å; G219-H221 VanDerWaalsContact O-N 3.14Å
222D91.4Very high92.2Very high73 Ų7342.5 Ų42.539%0.3925%0.253SS..EExtended strand (participates in β ladder)trans-79.8118.8-178.5-101.2-16.4000113.3K151 S213 D214 D216 S220 I224K151-D222 HydrophobicContact CB-CB 4.48Å; K151-D222 HydrophobicContact CD-CB 4.4Å; K151-D222 HydrophobicContact CG-CB 4.38Å; S213-D222 CarbonylContact C-O 3.6Å; S213-D222 WeakPolarHBondContact CA-O 3.45Å; D214-D222 HydrophobicContact CB-CB 4.07Å; D214-D222 PolarHBondContact N-O 3.19Å; D214-D222 PolarHBondContact O-N 2.91Å; D216-D222 PolarHBondContact OD2-N 3.38Å; S220-D222 PolarHBondContact O-N 2.96Å; D222-I224 PolarHBondContact O-N 2.91Å
223L95.8Very high92.1Very high48 Ų4845.7 Ų45.725%0.25127%0.268SS..EExtended strand (participates in β ladder)trans-63.8122.9176.2-176.469.9000111.3K151 D211 H249K151-L223 WeakPolarHBondContact CE-O 3.31Å; K151-L223 PolarHBondContact NZ-O 3.17Å; D211-L223 HydrophobicContact CB-CD1 3.97Å; L223-H249 PolarHBondContact O-CD2 2.93Å; L223-H249 PolarHBondContact O-NE2 3.36Å
224I96.3Very high92.1Very high0 Ų045.6 Ų45.60%027%0.267CS..EExtended strand (participates in β ladder)trans-81.5-49.3172.1-61.8173.7000109.5L148 D149 K151 P159 C212 D214 D222 H249 S261L148-I224 HydrophobicContact CB-CG2 4.44Å; L148-I224 HydrophobicContact CD1-CD1 4.44Å; L148-I224 HydrophobicContact CD2-CG2 4.26Å; D149-I224 HydrophobicContact CB-CG2 4.21Å; K151-I224 HydrophobicContact CG-CG1 3.94Å; P159-I224 HydrophobicContact CB-CD1 4.12Å; C212-I224 WeakPolarHBondContact O-CA 3.4Å; C212-I224 VanDerWaalsContact O-CB 3.29Å; C212-I224 WeakPolarHBondContact O-CB 3.42Å; C212-I224 PolarHBondContact O-N 3.08Å; D214-I224 HydrophobicContact CB-CD1 4.28Å; D214-I224 HydrophobicContact CB-CG1 4.29Å; D222-I224 PolarHBondContact O-N 2.91Å; I224-H249 PolarHBondContact O-CD2 2.88Å; I224-S261 WeakPolarHBondContact CG2-O 3.4Å; I224-S261 WeakPolarHBondContact O-CB 3.28Å; I224-S261 PolarHBondContact O-OG 2.8Å
225G97.1Very high92.1Very high0 Ų048.6 Ų48.60%028%0.282CS..EExtended strand (participates in β ladder)trans178.3170.7174.600000112.4C212 I248C212-G225 PolarHBondContact N-O 3.22Å; C212-G225 PolarHBondContact O-N 2.87Å; C212-G225 VanDerWaalsContact O-N 3.17Å; G225-I248 WeakPolarHBondContact CA-O 3.42Å
226S97.6Very high92.2Very high18 Ų1851.5 Ų51.513%0.12629%0.294CS..EExtended strand (participates in β ladder)trans-132.7157.7-178.2-56.50000111.3V210 D211 I248V210-S226 CarbonylContact O-C 3.02Å; V210-S226 VanDerWaalsContact O-CA 3.24Å; V210-S226 WeakPolarHBondContact O-CA 3.14Å; D211-S226 WeakPolarHBondContact OD1-CB 3.29Å; D211-S226 PolarHBondContact OD1-OG 3.47Å; S226-I248 PolarHBondContact N-O 3.37Å; S226-I248 PolarHBondContact O-N 2.6Å
227F97.8Very high92.5Very high20 Ų2050.1 Ų50.19%0.08829%0.287CS..EExtended strand (participates in β ladder)trans-145.1160.8166.562.7-87.9000111.3V210 T229 F245 V264V210-F227 HydrophobicContact CB-CD1 4.09Å; V210-F227 HydrophobicContact CB-CD2 4.24Å; V210-F227 HydrophobicContact CB-CE1 3.59Å; V210-F227 HydrophobicContact CB-CE2 3.76Å; V210-F227 HydrophobicContact CB-CG 4.4Å; V210-F227 HydrophobicContact CB-CZ 3.42Å; V210-F227 VanDerWaalsContact CB-CZ 3.42Å; V210-F227 HydrophobicContact CG1-CD1 4.49Å; V210-F227 HydrophobicContact CG1-CE1 3.64Å; V210-F227 HydrophobicContact CG1-CE2 4.44Å; V210-F227 HydrophobicContact CG1-CZ 3.62Å; V210-F227 HydrophobicContact CG2-CD2 4.37Å; V210-F227 HydrophobicContact CG2-CE1 4.33Å; V210-F227 HydrophobicContact CG2-CE2 3.65Å; V210-F227 HydrophobicContact CG2-CZ 3.64Å; V210-F227 PolarHBondContact N-O 2.75Å; V210-F227 PolarHBondContact O-N 3.5Å; F227-T229 HydrophobicContact CD2-CG2 4.36Å; F227-T229 HydrophobicContact CE2-CG2 4.03Å; F227-F245 HydrophobicContact CB-CB 4.31Å; F227-F245 HydrophobicContact CD1-CB 3.94Å; F227-F245 HydrophobicContact CD2-CB 3.5Å; F227-F245 AromaticContact CD2-CD1 3.81Å; F227-F245 HydrophobicContact CD2-CD1 3.81Å; F227-F245 HydrophobicContact CD2-CD2 4.22Å; F227-F245 AromaticContact CD2-CG 3.57Å; F227-F245 HydrophobicContact CD2-CG 3.57Å; F227-F245 HydrophobicContact CE1-CB 4.06Å; F227-F245 HydrophobicContact CE2-CB 3.63Å; F227-F245 HydrophobicContact CE2-CD1 4.03Å; F227-F245 AromaticContact CE2-CD2 3.63Å; F227-F245 HydrophobicContact CE2-CD2 3.63Å; F227-F245 HydrophobicContact CE2-CE2 4.31Å; F227-F245 AromaticContact CE2-CG 3.47Å; F227-F245 HydrophobicContact CE2-CG 3.47Å; F227-F245 VanDerWaalsContact CE2-CG 3.47Å; F227-F245 HydrophobicContact CG-CB 3.66Å; F227-F245 HydrophobicContact CG-CG 4.25Å; F227-F245 HydrophobicContact CZ-CB 3.9Å; F227-F245 HydrophobicContact CZ-CD2 4.05Å; F227-F245 HydrophobicContact CZ-CG 4.09Å; F227-V264 HydrophobicContact CE1-CB 3.73Å; F227-V264 HydrophobicContact CE1-CG1 3.99Å; F227-V264 HydrophobicContact CE1-CG2 4.02Å; F227-V264 HydrophobicContact CZ-CB 4.12Å; F227-V264 HydrophobicContact CZ-CG1 3.92Å
228T97.3Very high92.4Very high92 Ų9246.9 Ų46.956%0.56427%0.267SS*.EExtended strand (participates in β ladder)trans-113.3140173.5-56.60000109P207 L208P207-T228 HydrophobicContact CB-CG2 4.21Å; L208-T228 CarbonylContact O-C 3.5Å; L208-T228 VanDerWaalsContact O-CA 3.22Å; L208-T228 WeakPolarHBondContact O-CA 3.37Å; L208-T228 WeakPolarHBondContact O-CG2 3.3Å
229T97.3Very high92.1Very high10 Ų1046.9 Ų46.96%0.06128%0.277CS..EExtended strand (participates in β ladder)trans-149-169.5-179.7-168.60000110.4L208 F227 L234 F245L208-T229 HydrophobicContact CB-CG2 4.14Å; L208-T229 PolarHBondContact N-O 3.46Å; L208-T229 PolarHBondContact O-N 2.71Å; F227-T229 HydrophobicContact CD2-CG2 4.36Å; F227-T229 HydrophobicContact CE2-CG2 4.03Å; T229-L234 HydrophobicContact CG2-CD1 4.45Å; T229-L234 HydrophobicContact CG2-CD2 3.93Å; T229-L234 HydrophobicContact CG2-CG 4.18Å; T229-F245 WeakPolarHBondContact OG1-CE1 3.09Å; T229-F245 WeakPolarHBondContact OG1-CZ 3.15Å
230K97Very high92.2Very high73 Ų7348.4 Ų48.432%0.31729%0.293SS..EExtended strand (participates in β ladder)trans-137.3156.4174.7-63.6173.4168.8-168.80109.3E205 S232 E233 L234E205-K230 WeakPolarHBondContact O-CD 3.1Å; E205-K230 WeakPolarHBondContact O-CE 3.33Å; E205-K230 WeakPolarHBondContact OE2-CD 3.5Å; E205-K230 IonicContact OE2-NZ 2.86Å; E205-K230 PolarHBondContact OE2-NZ 2.94Å; K230-S232 PolarHBondContact O-N 3.21Å; K230-E233 HydrophobicContact CB-CG 4.27Å; K230-E233 WeakPolarHBondContact O-CB 3.29Å; K230-E233 PolarHBondContact O-N 2.84Å; K230-E233 VanDerWaalsContact O-N 3.1Å; K230-L234 WeakPolarHBondContact O-CG 3.23Å; K230-L234 PolarHBondContact O-N 3.4Å; K230-L234 VanDerWaalsContact O-N 3.1Å
231A95.8Very high92.4Very high0 Ų048.4 Ų48.40%029%0.293CS..Hα-helixtrans-62.2-34.5178.100000112I139 F199 C200 M204 L208 E233 L234 M235I139-A231 HydrophobicContact CD1-CB 4.33Å; F199-A231 HydrophobicContact CD1-CB 4.37Å; F199-A231 HydrophobicContact CE1-CB 4.13Å; C200-A231 HydrophobicContact CB-CB 4.46Å; M204-A231 HydrophobicContact CB-CB 4.28Å; M204-A231 HydrophobicContact CG-CB 4.48Å; M204-A231 PolarHBondContact O-N 3.43Å; L208-A231 HydrophobicContact CD1-CB 4.32Å; A231-E233 VanDerWaalsContact C-N 3.31Å; A231-E233 PolarHBondContact O-N 3.36Å; A231-L234 PolarHBondContact O-N 2.89Å; A231-M235 WeakPolarHBondContact O-CB 3.34Å; A231-M235 VanDerWaalsContact O-CG 3.25Å; A231-M235 WeakPolarHBondContact O-CG 3.34Å; A231-M235 PolarHBondContact O-N 3.13Å
232S96.1Very high92.7Very high25 Ų2548.4 Ų48.418%0.17530%0.298CS..Hα-helixtrans-62.2-35173.954.10000113.5M204 E205 K230M204-S232 PolarHBondContact O-N 2.97Å; M204-S232 VanDerWaalsContact O-N 3.11Å; M204-S232 PolarHBondContact O-OG 3.08Å; E205-S232 WeakPolarHBondContact OE1-CB 3.39Å; E205-S232 PolarHBondContact OE1-OG 3.46Å; K230-S232 PolarHBondContact O-N 3.21Å
233E96.4Very high92.9Very high67 Ų6746.2 Ų46.231%0.31329%0.287SS..Hα-helixtrans-70.7-43174-67.7-59.8137.400111.7K230 A231 M235 K236K230-E233 HydrophobicContact CB-CG 4.27Å; K230-E233 WeakPolarHBondContact O-CB 3.29Å; K230-E233 PolarHBondContact O-N 2.84Å; K230-E233 VanDerWaalsContact O-N 3.1Å; A231-E233 VanDerWaalsContact C-N 3.31Å; A231-E233 PolarHBondContact O-N 3.36Å; E233-M235 VanDerWaalsContact C-N 3.25Å; E233-M235 PolarHBondContact O-N 3.21Å; E233-K236 WeakPolarHBondContact O-CB 3.29Å; E233-K236 PolarHBondContact O-N 2.95Å; E233-K236 VanDerWaalsContact O-N 3.15Å; E233-K236 WeakPolarHBondContact OE1-CE 3.35Å; E233-K236 IonicContact OE1-NZ 2.65Å; E233-K236 PolarHBondContact OE1-NZ 3.46Å; E233-K236 WeakPolarHBondContact OE2-CE 3.31Å; E233-K236 IonicContact OE2-NZ 3.41Å; E233-K236 PolarHBondContact OE2-NZ 3.37Å
234L96.1Very high93Very high8 Ų849 Ų494%0.04230%0.299CS..Hα-helixtrans-58.5-40.2174.8-60.3177.7000111.4L141 F199 L208 T229 K230 A231 K236 A237 F245 V266 C269L141-L234 HydrophobicContact CD1-CD1 4.34Å; L141-L234 HydrophobicContact CD2-CB 4.45Å; L141-L234 HydrophobicContact CD2-CD1 4.4Å; F199-L234 HydrophobicContact CE1-CD1 3.98Å; F199-L234 HydrophobicContact CZ-CD1 3.77Å; L208-L234 HydrophobicContact CD1-CD1 4.09Å; T229-L234 HydrophobicContact CG2-CD1 4.45Å; T229-L234 HydrophobicContact CG2-CD2 3.93Å; T229-L234 HydrophobicContact CG2-CG 4.18Å; K230-L234 WeakPolarHBondContact O-CG 3.23Å; K230-L234 PolarHBondContact O-N 3.4Å; K230-L234 VanDerWaalsContact O-N 3.1Å; A231-L234 PolarHBondContact O-N 2.89Å; L234-K236 PolarHBondContact O-N 3.09Å; L234-A237 VanDerWaalsContact O-CB 3.24Å; L234-A237 WeakPolarHBondContact O-CB 3.1Å; L234-A237 PolarHBondContact O-N 2.78Å; L234-F245 HydrophobicContact CD2-CE2 3.75Å; L234-F245 HydrophobicContact CD2-CZ 4.06Å; L234-V266 HydrophobicContact CD2-CG2 3.56Å; L234-C269 HydrophobicContact CB-CB 4.42Å; L234-C269 WeakPolarHBondContact O-CB 3.44Å
235M94.8Very high93.1Very high62 Ų6250.5 Ų50.531%0.30531%0.306SS..THydrogen-bonded Turntrans-65.6-13.6179.6-75.7-68.1-54.400114.6M204 A231 E233 A237 C269 L271M204-M235 HydrophobicContact CE-CB 4.34Å; M204-M235 HydrophobicContact CE-CG 3.61Å; A231-M235 WeakPolarHBondContact O-CB 3.34Å; A231-M235 VanDerWaalsContact O-CG 3.25Å; A231-M235 WeakPolarHBondContact O-CG 3.34Å; A231-M235 PolarHBondContact O-N 3.13Å; E233-M235 VanDerWaalsContact C-N 3.25Å; E233-M235 PolarHBondContact O-N 3.21Å; M235-A237 PolarHBondContact O-N 3.41Å; M235-C269 HydrophobicContact SD-CB 4.22Å; M235-C269 PolarHBondContact SD-SG 3.15Å; M235-L271 HydrophobicContact CE-CB 4.07Å; M235-L271 HydrophobicContact SD-CB 4.29Å
236K94.3Very high93.1Very high125 Ų12554.5 Ų54.554%0.54333%0.327SS..THydrogen-bonded Turntrans-68.7-17171.2-62.7176.8-174.9171.30112.2E233 L234 A238 V243E233-K236 WeakPolarHBondContact O-CB 3.29Å; E233-K236 PolarHBondContact O-N 2.95Å; E233-K236 VanDerWaalsContact O-N 3.15Å; E233-K236 WeakPolarHBondContact OE1-CE 3.35Å; E233-K236 IonicContact OE1-NZ 2.65Å; E233-K236 PolarHBondContact OE1-NZ 3.46Å; E233-K236 WeakPolarHBondContact OE2-CE 3.31Å; E233-K236 IonicContact OE2-NZ 3.41Å; E233-K236 PolarHBondContact OE2-NZ 3.37Å; L234-K236 PolarHBondContact O-N 3.09Å; K236-A238 PolarHBondContact O-N 3.05Å; K236-V243 HydrophobicContact CB-CG2 3.78Å
237A92Very high93Very high4 Ų453.7 Ų53.73%0.03332%0.321CS..  trans-70.6116.8177.200000111.5L234 M235 V243 V266 C269L234-A237 VanDerWaalsContact O-CB 3.24Å; L234-A237 WeakPolarHBondContact O-CB 3.1Å; L234-A237 PolarHBondContact O-N 2.78Å; M235-A237 PolarHBondContact O-N 3.41Å; A237-V243 HydrophobicContact CB-CB 4.29Å; A237-V243 HydrophobicContact CB-CG2 3.86Å; A237-V266 HydrophobicContact CB-CB 3.83Å; A237-V266 HydrophobicContact CB-CG1 3.54Å; A237-V266 WeakPolarHBondContact CB-O 3.33Å; A237-C269 HydrophobicContact CB-CB 4.42Å
238A79.6Confident93Very high54 Ų5454.4 Ų54.445%0.44633%0.326SS..BIsolated β-bridgetrans-116.6162.2173.300000110.5K236 G240 S241K236-A238 PolarHBondContact O-N 3.05Å; A238-G240 PolarHBondContact O-N 3.15Å; A238-S241 PolarHBondContact N-O 2.95Å; A238-S241 VanDerWaalsContact N-O 3.12Å; A238-S241 CarbonylContact O-C 3.47Å; A238-S241 PolarHBondContact O-N 3.38Å
239S72.8Confident92.9Very high123 Ų12351 Ų5186%0.8630%0.303SS*.THydrogen-bonded Turntrans-56.9114.8176.3-173.90000110.2
240G77.6Confident92.6Very high83 Ų8354 Ų5486%0.85632%0.323SS*.THydrogen-bonded Turntrans90.4-2.9-176.900000115.5A238A238-G240 PolarHBondContact O-N 3.15Å
241S89.8Confident92.3Very high73 Ų7357.4 Ų57.451%0.5134%0.34SS..BIsolated β-bridgetrans-13479.6174.5-167.20000109.4A238A238-S241 PolarHBondContact N-O 2.95Å; A238-S241 VanDerWaalsContact N-O 3.12Å; A238-S241 CarbonylContact O-C 3.47Å; A238-S241 PolarHBondContact O-N 3.38Å
242P93.3Very high92Very high58 Ų5859.8 Ų59.838%0.37735%0.35SS..  trans-71.9151.3-179.130.5-34.4000111.3V266P242-V266 WeakPolarHBondContact CA-O 3.36Å; P242-V266 VanDerWaalsContact CB-O 3.32Å; P242-V266 WeakPolarHBondContact CB-O 3.35Å
243V96.8Very high91.6Very high27 Ų2764.8 Ų64.816%0.16437%0.371CS..EExtended strand (participates in β ladder)trans-98.5129.2169.1179.30000108.1K236 A237 F245 S265 V266K236-V243 HydrophobicContact CB-CG2 3.78Å; A237-V243 HydrophobicContact CB-CB 4.29Å; A237-V243 HydrophobicContact CB-CG2 3.86Å; V243-F245 HydrophobicContact CB-CE2 4.33Å; V243-F245 HydrophobicContact CG1-CD2 4.47Å; V243-F245 HydrophobicContact CG1-CE1 4.29Å; V243-F245 HydrophobicContact CG1-CE2 3.6Å; V243-F245 HydrophobicContact CG1-CZ 3.48Å; V243-F245 VanDerWaalsContact CG1-CZ 3.48Å; V243-S265 CarbonylContact O-C 3.59Å; V243-S265 WeakPolarHBondContact O-CA 3.43Å; V243-V266 HydrophobicContact CB-CB 4.46Å; V243-V266 PolarHBondContact N-O 2.79Å; V243-V266 PolarHBondContact O-N 2.79Å
244E97.2Very high91.2Very high108 Ų10870.3 Ų70.351%0.50539%0.394SS..EExtended strand (participates in β ladder)trans-112.7139.9-173.5-59.2-160.4139.600111.6V263 S265E244-V263 HydrophobicContact CB-CG1 3.73Å; E244-V263 HydrophobicContact CG-CG1 4.26Å; E244-S265 WeakPolarHBondContact CG-OG 3.39Å; E244-S265 PolarHBondContact OE1-OG 2.87Å
245F97.9Very high90.9Very high30 Ų3076.2 Ų76.213%0.13242%0.419CS..EExtended strand (participates in β ladder)trans-127.7124.1177.2-58.3-82.9000109.6F227 T229 L234 V243 C247 V263 V264 V266F227-F245 HydrophobicContact CB-CB 4.31Å; F227-F245 HydrophobicContact CD1-CB 3.94Å; F227-F245 HydrophobicContact CD2-CB 3.5Å; F227-F245 AromaticContact CD2-CD1 3.81Å; F227-F245 HydrophobicContact CD2-CD1 3.81Å; F227-F245 HydrophobicContact CD2-CD2 4.22Å; F227-F245 AromaticContact CD2-CG 3.57Å; F227-F245 HydrophobicContact CD2-CG 3.57Å; F227-F245 HydrophobicContact CE1-CB 4.06Å; F227-F245 HydrophobicContact CE2-CB 3.63Å; F227-F245 HydrophobicContact CE2-CD1 4.03Å; F227-F245 AromaticContact CE2-CD2 3.63Å; F227-F245 HydrophobicContact CE2-CD2 3.63Å; F227-F245 HydrophobicContact CE2-CE2 4.31Å; F227-F245 AromaticContact CE2-CG 3.47Å; F227-F245 HydrophobicContact CE2-CG 3.47Å; F227-F245 VanDerWaalsContact CE2-CG 3.47Å; F227-F245 HydrophobicContact CG-CB 3.66Å; F227-F245 HydrophobicContact CG-CG 4.25Å; F227-F245 HydrophobicContact CZ-CB 3.9Å; F227-F245 HydrophobicContact CZ-CD2 4.05Å; F227-F245 HydrophobicContact CZ-CG 4.09Å; T229-F245 WeakPolarHBondContact OG1-CE1 3.09Å; T229-F245 WeakPolarHBondContact OG1-CZ 3.15Å; L234-F245 HydrophobicContact CD2-CE2 3.75Å; L234-F245 HydrophobicContact CD2-CZ 4.06Å; V243-F245 HydrophobicContact CB-CE2 4.33Å; V243-F245 HydrophobicContact CG1-CD2 4.47Å; V243-F245 HydrophobicContact CG1-CE1 4.29Å; V243-F245 HydrophobicContact CG1-CE2 3.6Å; V243-F245 HydrophobicContact CG1-CZ 3.48Å; V243-F245 VanDerWaalsContact CG1-CZ 3.48Å; F245-C247 PolarHBondContact O-N 3.43Å; F245-V263 WeakPolarHBondContact O-CA 3.47Å; F245-V264 PolarHBondContact N-O 2.64Å; F245-V264 PolarHBondContact O-N 3.22Å; F245-V266 HydrophobicContact CD2-CG2 4.31Å; F245-V266 HydrophobicContact CE2-CG2 3.79Å
246D97.5Very high90.4Very high85 Ų8583.8 Ų83.846%0.45545%0.451SS..EExtended strand (participates in β ladder)trans-65.5124.9171.3-76.2-38.2000109.8I248 N260D246-I248 HydrophobicContact CB-CD1 3.9Å; D246-I248 HydrophobicContact CB-CG1 4.39Å; D246-I248 PolarHBondContact O-N 3.39Å; D246-N260 HydrophobicContact CB-CB 3.91Å; D246-N260 PolarHBondContact OD1-ND2 3.4Å
247C95.5Very high90.2Very high0 Ų083.1 Ų83.10%046%0.462CS..  trans-78.4119.2170.8-75.50000109.3F245 Y258 S261 G262 V264F245-C247 PolarHBondContact O-N 3.43Å; C247-Y258 PolarHBondContact O-OH 3.14Å; C247-S261 PolarHBondContact O-N 3.02Å; C247-G262 WeakPolarHBondContact CB-O 3.48Å; C247-G262 PolarHBondContact N-O 3.16Å; C247-V264 WeakPolarHBondContact SG-CG2 3.44Å
248I97.1Very high90.2Very high36 Ų3685 Ų8519%0.18547%0.468CS..BIsolated β-bridgetrans-113.5121.9-175.2-55.6-58.8000111.3G225 S226 D246 Q253 Y258 N260G225-I248 WeakPolarHBondContact CA-O 3.42Å; S226-I248 PolarHBondContact N-O 3.37Å; S226-I248 PolarHBondContact O-N 2.6Å; D246-I248 HydrophobicContact CB-CD1 3.9Å; D246-I248 HydrophobicContact CB-CG1 4.39Å; D246-I248 PolarHBondContact O-N 3.39Å; I248-Q253 VanDerWaalsContact CG2-CD 3.49Å; I248-Q253 HydrophobicContact CG2-CG 3.28Å; I248-Y258 WeakPolarHBondContact CA-OH 3.29Å; I248-Y258 HydrophobicContact CD1-CE1 4.35Å; I248-Y258 HydrophobicContact CG2-CE1 4.1Å; I248-N260 HydrophobicContact CD1-CB 4.02Å
249H95.4Very high90.8Very high19 Ų1991 Ų919%0.08848%0.484CS..  trans-85.6121.6173.5-166.9-72.7000110.3L223 I224 E251 K252 Q253 Y258L223-H249 PolarHBondContact O-CD2 2.93Å; L223-H249 PolarHBondContact O-NE2 3.36Å; I224-H249 PolarHBondContact O-CD2 2.88Å; H249-E251 VanDerWaalsContact C-N 3.28Å; H249-E251 IonicContact CE1-OE2 3.6Å; H249-E251 PolarHBondContact ND1-N 3.36Å; H249-E251 PolarHBondContact O-N 3.37Å; H249-K252 HydrophobicContact CB-CB 4.04Å; H249-K252 HydrophobicContact CB-CD 3.97Å; H249-K252 HydrophobicContact CB-CG 3.89Å; H249-K252 PolarHBondContact O-N 3.21Å; H249-Q253 PolarHBondContact O-N 2.56Å; H249-Y258 PolarHBondContact N-OH 3.48Å
250P91.6Very high91.9Very high74 Ų7487.5 Ų87.548%0.48146%0.456SS..THydrogen-bonded Turntrans-54.4-40.8-175-27.634.3000113.8
251E90.4Very high92.7Very high145 Ų14583.5 Ų83.568%0.67842%0.415SS*.THydrogen-bonded Turntrans-74.8-27.5-179.6-54.3-173.1154.100113.9H249H249-E251 VanDerWaalsContact C-N 3.28Å; H249-E251 IonicContact CE1-OE2 3.6Å; H249-E251 PolarHBondContact ND1-N 3.36Å; H249-E251 PolarHBondContact O-N 3.37Å
252K89.9Confident93.1Very high49 Ų4980.1 Ų80.121%0.21339%0.391CS..G310 helixtrans-82.7-23-177.7-61-175-174.9-175.90112.3D149 H249 K254 K255 Y258D149-K252 IonicContact OD2-NZ 3.39Å; D149-K252 PolarHBondContact OD2-NZ 3.22Å; H249-K252 HydrophobicContact CB-CB 4.04Å; H249-K252 HydrophobicContact CB-CD 3.97Å; H249-K252 HydrophobicContact CB-CG 3.89Å; H249-K252 PolarHBondContact O-N 3.21Å; K252-K254 PolarHBondContact O-N 2.98Å; K252-K255 WeakPolarHBondContact O-CB 3.36Å; K252-K255 PolarHBondContact O-N 3.13Å; K252-Y258 HydrophobicContact CB-CD1 4.05Å; K252-Y258 HydrophobicContact CB-CD2 3.62Å; K252-Y258 HydrophobicContact CB-CE1 4.05Å; K252-Y258 HydrophobicContact CB-CE2 3.62Å; K252-Y258 HydrophobicContact CB-CG 3.82Å; K252-Y258 HydrophobicContact CD-CD2 4.11Å; K252-Y258 HydrophobicContact CD-CE2 3.71Å; K252-Y258 HydrophobicContact CG-CD2 4.48Å; K252-Y258 HydrophobicContact CG-CE2 4.31Å; K252-Y258 WeakPolarHBondContact O-CB 3.39Å
253Q87.8Confident93.3Very high130 Ų13078.6 Ų78.661%0.60738%0.381SS*.G310 helixtrans-53.2-28.5175.8-84.5-171.9-16.500113.7I248 H249 K255 Y258I248-Q253 VanDerWaalsContact CG2-CD 3.49Å; I248-Q253 HydrophobicContact CG2-CG 3.28Å; H249-Q253 PolarHBondContact O-N 2.56Å; Q253-K255 PolarHBondContact O-N 3.37Å; Q253-Y258 HydrophobicContact CG-CE1 4.44Å
254K87.5Confident93.4Very high184 Ų18477.3 Ų77.380%0.837%0.373SS*.G310 helixtrans-67.8-15.8178.9-61177.9-176.6174.40113K252K252-K254 PolarHBondContact O-N 2.98Å
255K89.5Confident93.4Very high131 Ų13172.2 Ų72.257%0.5735%0.349SS*.SBendtrans-88.9123.9-177.7-60.1-179.5-179.4-179.80110.5K252 Q253 S257 Y258K252-K255 WeakPolarHBondContact O-CB 3.36Å; K252-K255 PolarHBondContact O-N 3.13Å; Q253-K255 PolarHBondContact O-N 3.37Å; K255-S257 PolarHBondContact O-N 2.77Å; K255-S257 VanDerWaalsContact O-N 3.1Å; K255-Y258 WeakPolarHBondContact O-CB 3.24Å; K255-Y258 PolarHBondContact O-N 2.83Å
256K85.1Confident93.3Very high221 Ų22170.8 Ų70.896%0.96134%0.343SS*.THydrogen-bonded Turntrans-57.6-27.1-178.4-71.2-173.2177.6-178.20115.1
257S90Very high93.2Very high111 Ų11169.6 Ų69.678%0.77633%0.334SS*.THydrogen-bonded Turntrans-90-7-179.361.40000113.9K255K255-S257 PolarHBondContact O-N 2.77Å; K255-S257 VanDerWaalsContact O-N 3.1Å
258Y92.1Very high93.2Very high45 Ų4570.6 Ų70.618%0.17634%0.341CS..  trans-77.1131.5-176.3178-104.7000110.6C247 I248 H249 K252 Q253 K255 N260 S261C247-Y258 PolarHBondContact O-OH 3.14Å; I248-Y258 WeakPolarHBondContact CA-OH 3.29Å; I248-Y258 HydrophobicContact CD1-CE1 4.35Å; I248-Y258 HydrophobicContact CG2-CE1 4.1Å; H249-Y258 PolarHBondContact N-OH 3.48Å; K252-Y258 HydrophobicContact CB-CD1 4.05Å; K252-Y258 HydrophobicContact CB-CD2 3.62Å; K252-Y258 HydrophobicContact CB-CE1 4.05Å; K252-Y258 HydrophobicContact CB-CE2 3.62Å; K252-Y258 HydrophobicContact CB-CG 3.82Å; K252-Y258 HydrophobicContact CD-CD2 4.11Å; K252-Y258 HydrophobicContact CD-CE2 3.71Å; K252-Y258 HydrophobicContact CG-CD2 4.48Å; K252-Y258 HydrophobicContact CG-CE2 4.31Å; K252-Y258 WeakPolarHBondContact O-CB 3.39Å; Q253-Y258 HydrophobicContact CG-CE1 4.44Å; K255-Y258 WeakPolarHBondContact O-CB 3.24Å; K255-Y258 PolarHBondContact O-N 2.83Å; Y258-N260 VanDerWaalsContact CE2-O 3.24Å; Y258-N260 WeakPolarHBondContact CE2-O 3.41Å; Y258-N260 VanDerWaalsContact CZ-C 3.44Å; Y258-N260 VanDerWaalsContact OH-C 3.31Å; Y258-S261 PolarHBondContact OH-N 2.83Å; Y258-S261 PolarHBondContact OH-OG 3.26Å
259K91.4Very high93.1Very high180 Ų18069.2 Ų69.278%0.78333%0.334SS*.  trans-107.6-59.7175.8-66.4-172.3177.1-174.50110.8
260N95.3Very high93Very high48 Ų4874 Ų7426%0.25736%0.355SS..  trans-158.8173175.960.742.7000109.3D246 I248 Y258 G262D246-N260 HydrophobicContact CB-CB 3.91Å; D246-N260 PolarHBondContact OD1-ND2 3.4Å; I248-N260 HydrophobicContact CD1-CB 4.02Å; Y258-N260 VanDerWaalsContact CE2-O 3.24Å; Y258-N260 WeakPolarHBondContact CE2-O 3.41Å; Y258-N260 VanDerWaalsContact CZ-C 3.44Å; Y258-N260 VanDerWaalsContact OH-C 3.31Å; N260-G262 PolarHBondContact OD1-N 3.14Å
261S96.3Very high93Very high0 Ų073.4 Ų73.40%035%0.347CS..SBendtrans-101.527.9172.3-57.80000111.4L148 D149 I224 C247 Y258L148-S261 WeakPolarHBondContact CA-O 3.34Å; D149-S261 PolarHBondContact N-O 2.91Å; D149-S261 WeakPolarHBondContact OD2-CA 3.38Å; D149-S261 WeakPolarHBondContact OD2-CB 3.46Å; D149-S261 PolarHBondContact OD2-OG 3.03Å; I224-S261 WeakPolarHBondContact CG2-O 3.4Å; I224-S261 WeakPolarHBondContact O-CB 3.28Å; I224-S261 PolarHBondContact O-OG 2.8Å; C247-S261 PolarHBondContact O-N 3.02Å; Y258-S261 PolarHBondContact OH-N 2.83Å; Y258-S261 PolarHBondContact OH-OG 3.26Å
262G96.9Very high93.1Very high1 Ų169 Ų691%0.0133%0.331CS..  trans109.9175.9-168.700000113.2K146 K147 C247 N260K146-G262 WeakPolarHBondContact O-CA 3.41Å; K147-G262 WeakPolarHBondContact O-CA 3.23Å; C247-G262 WeakPolarHBondContact CB-O 3.48Å; C247-G262 PolarHBondContact N-O 3.16Å; N260-G262 PolarHBondContact OD1-N 3.14Å
263V98Very high93.1Very high26 Ų2670 Ų7016%0.15834%0.341CS..EExtended strand (participates in β ladder)trans-127.3130.1-175-179.90000108.9A145 K146 E244 F245A145-V263 CarbonylContact C-O 3.54Å; A145-V263 WeakPolarHBondContact CA-O 3.47Å; A145-V263 WeakPolarHBondContact CB-O 3.45Å; K146-V263 PolarHBondContact N-O 3.36Å; K146-V263 PolarHBondContact O-N 3.44Å; E244-V263 HydrophobicContact CB-CG1 3.73Å; E244-V263 HydrophobicContact CG-CG1 4.26Å; F245-V263 WeakPolarHBondContact O-CA 3.47Å
264V98.1Very high93Very high1 Ų166.6 Ų66.61%0.00633%0.327CS..EExtended strand (participates in β ladder)trans-97.6125.7169.5169.50000108.2E144 A145 L161 F227 F245 C247E144-V264 CarbonylContact O-C 3.59Å; E144-V264 WeakPolarHBondContact O-CA 3.44Å; A145-V264 HydrophobicContact CB-CG2 3.95Å; L161-V264 HydrophobicContact CD1-CG1 4.22Å; L161-V264 HydrophobicContact CD2-CG2 4.1Å; F227-V264 HydrophobicContact CE1-CB 3.73Å; F227-V264 HydrophobicContact CE1-CG1 3.99Å; F227-V264 HydrophobicContact CE1-CG2 4.02Å; F227-V264 HydrophobicContact CZ-CB 4.12Å; F227-V264 HydrophobicContact CZ-CG1 3.92Å; F245-V264 PolarHBondContact N-O 2.64Å; F245-V264 PolarHBondContact O-N 3.22Å; C247-V264 WeakPolarHBondContact SG-CG2 3.44Å
265S97.1Very high93.1Very high0 Ų060.8 Ų60.80%030%0.3CS..EExtended strand (participates in β ladder)trans-113.4128.1-178.8-48.90000109.9E144 V243 E244 K267E144-S265 PolarHBondContact N-O 2.72Å; E144-S265 PolarHBondContact O-N 3.18Å; V243-S265 CarbonylContact O-C 3.59Å; V243-S265 WeakPolarHBondContact O-CA 3.43Å; E244-S265 WeakPolarHBondContact CG-OG 3.39Å; E244-S265 PolarHBondContact OE1-OG 2.87Å; S265-K267 PolarHBondContact O-N 2.78Å
266V97.2Very high93.2Very high1 Ų155 Ų551%0.00628%0.276CS..EExtended strand (participates in β ladder)trans-84.3109170.9-1730000107.6L141 L143 L234 A237 P242 V243 F245 C269L141-V266 HydrophobicContact CD2-CG1 3.92Å; L143-V266 HydrophobicContact CD2-CB 4.09Å; L143-V266 HydrophobicContact CD2-CG1 4.05Å; L143-V266 HydrophobicContact CD2-CG2 3.74Å; L234-V266 HydrophobicContact CD2-CG2 3.56Å; A237-V266 HydrophobicContact CB-CB 3.83Å; A237-V266 HydrophobicContact CB-CG1 3.54Å; A237-V266 WeakPolarHBondContact CB-O 3.33Å; P242-V266 WeakPolarHBondContact CA-O 3.36Å; P242-V266 VanDerWaalsContact CB-O 3.32Å; P242-V266 WeakPolarHBondContact CB-O 3.35Å; V243-V266 HydrophobicContact CB-CB 4.46Å; V243-V266 PolarHBondContact N-O 2.79Å; V243-V266 PolarHBondContact O-N 2.79Å; F245-V266 HydrophobicContact CD2-CG2 4.31Å; F245-V266 HydrophobicContact CE2-CG2 3.79Å; V266-C269 HydrophobicContact CG1-CB 4Å
267K94.8Very high93.5Very high59 Ų5945.3 Ų45.326%0.25723%0.234SC..EExtended strand (participates in β ladder)trans-72.5-43.4178.3-75.4-178166.7157.10112.2E142 E144 S188 S265E142-K267 HydrophobicContact CB-CB 4.2Å; E142-K267 HydrophobicContact CG-CB 4.12Å; E142-K267 HydrophobicContact CG-CD 4.05Å; E142-K267 PolarHBondContact O-N 2.92Å; E142-K267 WeakPolarHBondContact OE1-CD 3.4Å; E144-K267 HydrophobicContact CG-CD 4.45Å; E144-K267 HydrophobicContact CG-CG 4.22Å; E144-K267 WeakPolarHBondContact OE2-CE 3.38Å; E144-K267 IonicContact OE2-NZ 2.65Å; E144-K267 PolarHBondContact OE2-NZ 3.41Å; S188-K267 PolarHBondContact OG-NZ 3.06Å; S188-K267 VanDerWaalsContact OG-NZ 3.12Å; S265-K267 PolarHBondContact O-N 2.78Å
268S94.9Very high93.6Very high22 Ų2240.1 Ų40.115%0.15420%0.198CC..EExtended strand (participates in β ladder)trans-151.6136.2-179.7-171.20000109.3E142E142-S268 PolarHBondContact N-O 3.32Å; E142-S268 PolarHBondContact O-N 3.14Å
269C94.8Very high93.6Very high6 Ų639.7 Ų39.74%0.04120%0.198CC..EExtended strand (participates in β ladder)trans-131120.2169.5-173.70000108I139 V140 L141 L234 M235 A237 V266I139-C269 VanDerWaalsContact CD1-SG 3.55Å; V140-C269 WeakPolarHBondContact O-CA 3.08Å; L141-C269 HydrophobicContact CD2-CB 3.72Å; L141-C269 WeakPolarHBondContact CD2-SG 3.16Å; L234-C269 HydrophobicContact CB-CB 4.42Å; L234-C269 WeakPolarHBondContact O-CB 3.44Å; M235-C269 HydrophobicContact SD-CB 4.22Å; M235-C269 PolarHBondContact SD-SG 3.15Å; A237-C269 HydrophobicContact CB-CB 4.42Å; V266-C269 HydrophobicContact CG1-CB 4Å
270K93.8Very high93.6Very high121 Ų12131.3 Ų31.353%0.52616%0.162SC..EExtended strand (participates in β ladder)trans-126.2138.6179.7-62.6-174.8-177.5-175.70110.1I139 V140 V272I139-K270 CarbonylContact C-O 3.45Å; V140-K270 HydrophobicContact CB-CB 4.46Å; V140-K270 PolarHBondContact N-O 3.28Å; V140-K270 PolarHBondContact O-N 3.25Å; K270-V272 HydrophobicContact CB-CG1 4.43Å
271L92.8Very high93.5Very high61 Ų6129 Ų2932%0.31915%0.15SC..EExtended strand (participates in β ladder)trans-91.9121.4166.6-159.765000107.8R137 L196 M235R137-L271 HydrophobicContact CB-CD1 3.95Å; R137-L271 HydrophobicContact CB-CD2 4.43Å; R137-L271 HydrophobicContact CB-CG 4.1Å; R137-L271 HydrophobicContact CG-CD2 4.43Å; R137-L271 HydrophobicContact CG-CG 4.47Å; L196-L271 HydrophobicContact CD1-CD1 3.92Å; L196-L271 HydrophobicContact CD2-CD1 4.17Å; M235-L271 HydrophobicContact CE-CB 4.07Å; M235-L271 HydrophobicContact SD-CB 4.29Å
272V91.4Very high93.2Very high53 Ų5329.8 Ų29.832%0.32115%0.154SC..EExtended strand (participates in β ladder)trans-119.1154.1178.2-56.50000109.7R137 A138 V140 K270R137-V272 CarbonylContact C-O 3.59Å; R137-V272 WeakPolarHBondContact CA-O 3.22Å; A138-V272 HydrophobicContact CB-CG2 4.13Å; A138-V272 PolarHBondContact N-O 2.82Å; A138-V272 PolarHBondContact O-N 2.88Å; V140-V272 HydrophobicContact CG2-CB 4.39Å; V140-V272 HydrophobicContact CG2-CG1 3.87Å; V140-V272 HydrophobicContact CG2-CG2 3.59Å; K270-V272 HydrophobicContact CB-CG1 4.43Å
273T89.3Confident92.9Very high70 Ų7029.9 Ų29.943%0.42916%0.155SC..EExtended strand (participates in β ladder)trans-92122.2173-50.40000109.2N136 Y275N136-T273 HydrophobicContact CB-CG2 4.16Å; T273-Y275 HydrophobicContact CG2-CD1 3.84Å; T273-Y275 HydrophobicContact CG2-CE1 3.46Å; T273-Y275 VanDerWaalsContact CG2-CE1 3.46Å; T273-Y275 HydrophobicContact CG2-CE2 4.14Å; T273-Y275 HydrophobicContact CG2-CG 4.38Å
274N87.4Confident92.5Very high58 Ų5830.1 Ų30.131%0.3116%0.162SC..  trans-97.499.8170.6-77.1-8.9000108.7N136 A138N136-N274 WeakPolarHBondContact CB-O 3.29Å; N136-N274 PolarHBondContact O-N 3.28Å; A138-N274 WeakPolarHBondContact CB-ND2 3.46Å
275Y89.9Confident92.3Very high61 Ų6130.3 Ų30.324%0.23916%0.164CC..  trans-69.8136.2179.6-59.5-73.2000112T273 D279 V514 E523 P524T273-Y275 HydrophobicContact CG2-CD1 3.84Å; T273-Y275 HydrophobicContact CG2-CE1 3.46Å; T273-Y275 VanDerWaalsContact CG2-CE1 3.46Å; T273-Y275 HydrophobicContact CG2-CE2 4.14Å; T273-Y275 HydrophobicContact CG2-CG 4.38Å; Y275-D279 VanDerWaalsContact CA-OD2 3.24Å; Y275-D279 WeakPolarHBondContact CA-OD2 3.4Å; Y275-D279 HydrophobicContact CD1-CB 4.12Å; Y275-V514 WeakPolarHBondContact O-CG1 3.46Å; Y275-E523 HydrophobicContact CE2-CB 3.9Å; Y275-E523 HydrophobicContact CE2-CG 3.68Å; Y275-E523 VanDerWaalsContact OH-CD 3.27Å; Y275-E523 PolarHBondContact OH-OE2 3.23Å; Y275-P524 HydrophobicContact CD1-CG 3.41Å; Y275-P524 VanDerWaalsContact CD1-CG 3.41Å; Y275-P524 HydrophobicContact CD2-CG 4.36Å; Y275-P524 HydrophobicContact CE1-CG 3.98Å; Y275-P524 HydrophobicContact CG-CG 3.6Å
276S90.5Very high92Very high11 Ų1133.2 Ų33.28%0.07718%0.177CC..  trans-85.2172.517279.90000110.9E132 L278 D279 F280E132-S276 WeakPolarHBondContact OE2-CB 3.38Å; E132-S276 PolarHBondContact OE2-OG 2.9Å; S276-L278 VanDerWaalsContact C-N 3.33Å; S276-L278 PolarHBondContact OG-N 3.22Å; S276-L278 VanDerWaalsContact OG-N 3.13Å; S276-D279 PolarHBondContact N-OD2 3.13Å; S276-D279 PolarHBondContact O-N 3.17Å; S276-D279 PolarHBondContact OG-N 3.43Å; S276-D279 PolarHBondContact OG-OD2 3.14Å; S276-F280 WeakPolarHBondContact O-CD2 2.92Å
277F92.1Very high91.7Very high16 Ų1633.1 Ų33.17%0.0718%0.177CC..Hα-helixtrans-59.4-43.7167.7170.6-97.9000112.3Y65 F67 D279 F280 V281 I287 Y333 P510 L513 V514Y65-F277 WeakPolarHBondContact OH-CE1 3.42Å; F67-F277 HydrophobicContact CD2-CD1 4.42Å; F67-F277 AromaticContact CD2-CE1 3.46Å; F67-F277 HydrophobicContact CD2-CE1 3.46Å; F67-F277 VanDerWaalsContact CD2-CE1 3.46Å; F67-F277 HydrophobicContact CD2-CE2 4.47Å; F67-F277 AromaticContact CD2-CZ 3.47Å; F67-F277 HydrophobicContact CD2-CZ 3.47Å; F67-F277 VanDerWaalsContact CD2-CZ 3.47Å; F67-F277 AromaticContact CE2-CE1 3.92Å; F67-F277 HydrophobicContact CE2-CE1 3.92Å; F67-F277 HydrophobicContact CE2-CE2 4.26Å; F67-F277 AromaticContact CE2-CZ 3.41Å; F67-F277 HydrophobicContact CE2-CZ 3.41Å; F67-F277 VanDerWaalsContact CE2-CZ 3.41Å; F67-F277 HydrophobicContact CG-CE1 4.18Å; F67-F277 HydrophobicContact CG-CZ 4.34Å; F67-F277 HydrophobicContact CZ-CZ 4.22Å; F277-D279 VanDerWaalsContact C-N 3.29Å; F277-D279 PolarHBondContact O-N 3.38Å; F277-F280 PolarHBondContact O-N 3.35Å; F277-F280 VanDerWaalsContact O-N 3.16Å; F277-V281 HydrophobicContact CD1-CG2 4.19Å; F277-V281 HydrophobicContact CD2-CG2 4.36Å; F277-V281 HydrophobicContact CE1-CG2 3.64Å; F277-V281 HydrophobicContact CE2-CG2 3.87Å; F277-V281 HydrophobicContact CZ-CG2 3.48Å; F277-V281 VanDerWaalsContact CZ-CG2 3.48Å; F277-V281 PolarHBondContact O-N 2.84Å; F277-I287 HydrophobicContact CE2-CD1 3.68Å; F277-I287 HydrophobicContact CZ-CD1 3.59Å; F277-Y333 HydrophobicContact CE1-CE1 4.13Å; F277-Y333 HydrophobicContact CZ-CD1 4.36Å; F277-Y333 HydrophobicContact CZ-CE1 4.37Å; F277-P510 HydrophobicContact CB-CB 3.81Å; F277-P510 HydrophobicContact CD1-CB 4.48Å; F277-P510 HydrophobicContact CD2-CB 3.9Å; F277-P510 HydrophobicContact CD2-CG 4.4Å; F277-P510 HydrophobicContact CG-CB 3.81Å; F277-P510 HydrophobicContact CG-CG 4.38Å; F277-L513 HydrophobicContact CD2-CB 4.45Å; F277-L513 HydrophobicContact CD2-CD1 4.17Å; F277-L513 HydrophobicContact CD2-CD2 4.21Å; F277-L513 HydrophobicContact CE2-CD1 3.95Å; F277-V514 HydrophobicContact CB-CG2 4.23Å
278L91.3Very high91.7Very high2 Ų231.9 Ų31.91%0.0117%0.173CC..Hα-helixtrans-63.7-34.2178.7-77.5-177.4000112.1V8 Y65 V104 E132 S276 F280 V281 M282V8-L278 HydrophobicContact CG2-CD1 3.77Å; Y65-L278 HydrophobicContact CD1-CD1 3.71Å; Y65-L278 HydrophobicContact CD1-CD2 4.05Å; Y65-L278 HydrophobicContact CD1-CG 4Å; Y65-L278 HydrophobicContact CD2-CD2 4.48Å; Y65-L278 HydrophobicContact CE1-CD1 4.06Å; Y65-L278 HydrophobicContact CE1-CD2 3.58Å; Y65-L278 HydrophobicContact CE1-CG 3.81Å; Y65-L278 HydrophobicContact CE2-CD2 4.09Å; Y65-L278 HydrophobicContact CG-CD1 4.08Å; Y65-L278 HydrophobicContact CG-CD2 4.45Å; V104-L278 HydrophobicContact CB-CD2 3.95Å; V104-L278 HydrophobicContact CG1-CD2 4.29Å; V104-L278 HydrophobicContact CG2-CD2 3.87Å; E132-L278 HydrophobicContact CB-CB 4.46Å; E132-L278 HydrophobicContact CB-CD1 4.25Å; E132-L278 HydrophobicContact CG-CD1 3.98Å; S276-L278 VanDerWaalsContact C-N 3.33Å; S276-L278 PolarHBondContact OG-N 3.22Å; S276-L278 VanDerWaalsContact OG-N 3.13Å; L278-F280 VanDerWaalsContact C-N 3.29Å; L278-F280 PolarHBondContact O-N 2.98Å; L278-V281 PolarHBondContact O-N 2.9Å; L278-M282 HydrophobicContact CB-CE 4.44Å; L278-M282 HydrophobicContact CD1-CE 4.28Å; L278-M282 HydrophobicContact CD2-CE 4.35Å; L278-M282 WeakPolarHBondContact O-CB 3.35Å; L278-M282 VanDerWaalsContact O-CG 3.29Å; L278-M282 WeakPolarHBondContact O-CG 3.37Å; L278-M282 PolarHBondContact O-N 3.4Å
279D91.4Very high91.7Very high36 Ų3630.9 Ų30.919%0.19317%0.166CC..Hα-helixtrans-58.5-43.1174.6-70.2-51.8000111.1N136 Y275 S276 F277 G283 P524N136-D279 PolarHBondContact ND2-OD1 3.01Å; N136-D279 VanDerWaalsContact ND2-OD1 3.14Å; N136-D279 PolarHBondContact ND2-OD2 3.24Å; Y275-D279 VanDerWaalsContact CA-OD2 3.24Å; Y275-D279 WeakPolarHBondContact CA-OD2 3.4Å; Y275-D279 HydrophobicContact CD1-CB 4.12Å; S276-D279 PolarHBondContact N-OD2 3.13Å; S276-D279 PolarHBondContact O-N 3.17Å; S276-D279 PolarHBondContact OG-N 3.43Å; S276-D279 PolarHBondContact OG-OD2 3.14Å; F277-D279 VanDerWaalsContact C-N 3.29Å; F277-D279 PolarHBondContact O-N 3.38Å; D279-G283 WeakPolarHBondContact O-CA 3.31Å; D279-G283 PolarHBondContact O-N 2.87Å; D279-P524 HydrophobicContact CB-CB 4.28Å; D279-P524 HydrophobicContact CB-CG 3.73Å; D279-P524 WeakPolarHBondContact O-CB 3.25Å
280F92.9Very high91.8Very high4 Ų430.9 Ų30.92%0.01817%0.166CC..Hα-helixtrans-67.5-47.5177.4-73.1-74.3000111.9S276 F277 L278 G283 G284 C285 A415 L513 V514 F517 P524S276-F280 WeakPolarHBondContact O-CD2 2.92Å; F277-F280 PolarHBondContact O-N 3.35Å; F277-F280 VanDerWaalsContact O-N 3.16Å; L278-F280 VanDerWaalsContact C-N 3.29Å; L278-F280 PolarHBondContact O-N 2.98Å; F280-G283 CarbonylContact O-C 3.58Å; F280-G283 WeakPolarHBondContact O-CA 3.27Å; F280-G283 PolarHBondContact O-N 2.85Å; F280-G283 VanDerWaalsContact O-N 3.15Å; F280-G284 PolarHBondContact O-N 2.91Å; F280-C285 HydrophobicContact CB-CB 4.05Å; F280-C285 WeakPolarHBondContact O-CB 3.42Å; F280-C285 PolarHBondContact O-N 2.77Å; F280-A415 HydrophobicContact CD1-CB 3.56Å; F280-A415 HydrophobicContact CE1-CB 3.57Å; F280-L513 HydrophobicContact CB-CD2 3.89Å; F280-L513 HydrophobicContact CD2-CD2 3.79Å; F280-L513 HydrophobicContact CG-CD2 3.9Å; F280-V514 HydrophobicContact CD2-CG2 4.17Å; F280-V514 HydrophobicContact CE2-CG2 4.2Å; F280-F517 HydrophobicContact CD1-CB 4.36Å; F280-F517 AromaticContact CD1-CD2 3.6Å; F280-F517 HydrophobicContact CD1-CD2 3.6Å; F280-F517 HydrophobicContact CD1-CE2 4.11Å; F280-F517 HydrophobicContact CD1-CG 4.09Å; F280-F517 HydrophobicContact CD2-CD2 4.32Å; F280-F517 HydrophobicContact CE1-CB 3.49Å; F280-F517 VanDerWaalsContact CE1-CB 3.49Å; F280-F517 AromaticContact CE1-CD2 3.62Å; F280-F517 HydrophobicContact CE1-CD2 3.62Å; F280-F517 AromaticContact CE1-CG 3.66Å; F280-F517 HydrophobicContact CE1-CG 3.66Å; F280-F517 HydrophobicContact CE2-CB 4.21Å; F280-F517 HydrophobicContact CE2-CD2 4.34Å; F280-F517 AromaticContact CG-CD2 3.99Å; F280-F517 HydrophobicContact CG-CD2 3.99Å; F280-F517 HydrophobicContact CG-CE2 4.45Å; F280-F517 HydrophobicContact CZ-CB 3.41Å; F280-F517 VanDerWaalsContact CZ-CB 3.41Å; F280-F517 HydrophobicContact CZ-CD2 4.02Å; F280-F517 HydrophobicContact CZ-CG 4.03Å; F280-P524 HydrophobicContact CD1-CB 4.08Å; F280-P524 HydrophobicContact CD1-CG 3.65Å; F280-P524 HydrophobicContact CD2-CG 4.23Å; F280-P524 HydrophobicContact CE1-CB 4.37Å; F280-P524 HydrophobicContact CE1-CG 3.64Å; F280-P524 HydrophobicContact CE2-CG 4.2Å; F280-P524 HydrophobicContact CG-CG 3.94Å; F280-P524 HydrophobicContact CZ-CG 3.91Å
281V92.1Very high91.9Very high1 Ų125.1 Ų25.11%0.00614%0.14CC..Hα-helixtrans-64.2-49.8-179.1168.60000111.5F277 L278 G283 G284 Y333F277-V281 HydrophobicContact CD1-CG2 4.19Å; F277-V281 HydrophobicContact CD2-CG2 4.36Å; F277-V281 HydrophobicContact CE1-CG2 3.64Å; F277-V281 HydrophobicContact CE2-CG2 3.87Å; F277-V281 HydrophobicContact CZ-CG2 3.48Å; F277-V281 VanDerWaalsContact CZ-CG2 3.48Å; F277-V281 PolarHBondContact O-N 2.84Å; L278-V281 PolarHBondContact O-N 2.9Å; V281-G283 PolarHBondContact O-N 2.85Å; V281-G284 PolarHBondContact O-N 2.98Å; V281-Y333 HydrophobicContact CG1-CD1 3.84Å; V281-Y333 HydrophobicContact CG1-CE1 4.24Å; V281-Y333 HydrophobicContact CG2-CD1 4.25Å
282M90.8Very high92.2Very high15 Ų1522.2 Ų22.27%0.07413%0.125CC..Hα-helixtrans-66-21.3173.8-66.3179.6179.100112.3V8 V104 K107 A130 E132 L278 G284 Q527V8-M282 HydrophobicContact CG1-CE 4.41Å; V8-M282 HydrophobicContact CG2-CE 4.39Å; V104-M282 HydrophobicContact CB-CE 3.82Å; V104-M282 HydrophobicContact CG1-CE 3.68Å; V104-M282 VanDerWaalsContact O-CG 3.27Å; V104-M282 WeakPolarHBondContact O-CG 3.47Å; K107-M282 HydrophobicContact CB-CB 4.45Å; K107-M282 HydrophobicContact CG-CB 4.44Å; A130-M282 HydrophobicContact CB-CE 4.07Å; E132-M282 HydrophobicContact CB-CE 4.49Å; L278-M282 HydrophobicContact CB-CE 4.44Å; L278-M282 HydrophobicContact CD1-CE 4.28Å; L278-M282 HydrophobicContact CD2-CE 4.35Å; L278-M282 WeakPolarHBondContact O-CB 3.35Å; L278-M282 VanDerWaalsContact O-CG 3.29Å; L278-M282 WeakPolarHBondContact O-CG 3.37Å; L278-M282 PolarHBondContact O-N 3.4Å; M282-G284 PolarHBondContact O-N 3.4Å; M282-Q527 VanDerWaalsContact O-CD 3.24Å; M282-Q527 PolarHBondContact O-NE2 3.17Å
283G90.3Very high92.5Very high4 Ų419.7 Ų19.74%0.04111%0.11CC..THydrogen-bonded Turntrans-74.6-4.1169.800000113.8D279 F280 V281 Q525D279-G283 WeakPolarHBondContact O-CA 3.31Å; D279-G283 PolarHBondContact O-N 2.87Å; F280-G283 CarbonylContact O-C 3.58Å; F280-G283 WeakPolarHBondContact O-CA 3.27Å; F280-G283 PolarHBondContact O-N 2.85Å; F280-G283 VanDerWaalsContact O-N 3.15Å; V281-G283 PolarHBondContact O-N 2.85Å; G283-Q525 WeakPolarHBondContact CA-O 3.31Å; G283-Q525 WeakPolarHBondContact O-CB 3.18Å; G283-Q525 PolarHBondContact O-OE1 2.8Å
284G90.3Very high92.9Very high30 Ų3016.4 Ų16.431%0.3099%0.09SC..THydrogen-bonded Turntrans92.314.5-179.400000114.6F280 V281 M282 Q286F280-G284 PolarHBondContact O-N 2.91Å; V281-G284 PolarHBondContact O-N 2.98Å; M282-G284 PolarHBondContact O-N 3.4Å; G284-Q286 PolarHBondContact O-N 3.31Å
285C92.7Very high93.4Very high6 Ų613.6 Ų13.64%0.0418%0.075CC..  trans-67.5122.7168.8-173.30000110.1F280 A415 S416F280-C285 HydrophobicContact CB-CB 4.05Å; F280-C285 WeakPolarHBondContact O-CB 3.42Å; F280-C285 PolarHBondContact O-N 2.77Å; C285-A415 WeakPolarHBondContact CB-O 3.13Å; C285-S416 WeakPolarHBondContact CA-O 3.34Å
286Q91.1Very high93.7Very high60 Ų6010.8 Ų10.828%0.286%0.064SC..EExtended strand (participates in β ladder)trans-92.2144.9174.8-64.8179.1-23.600111.2G284 T335 S416 Y418G284-Q286 PolarHBondContact O-N 3.31Å; Q286-T335 PolarHBondContact NE2-OG1 3.36Å; Q286-S416 PolarHBondContact N-O 3.05Å; Q286-Y418 PolarHBondContact O-N 2.89Å
287I92.1Very high93.9Very high0 Ų012.1 Ų12.10%08%0.08CC..EExtended strand (participates in β ladder)trans-106.7100.8174.5-56.6-177.2000108.3F67 F277 V330 Y333 Y418 V420 L513F67-I287 HydrophobicContact CE2-CD1 4.33Å; F277-I287 HydrophobicContact CE2-CD1 3.68Å; F277-I287 HydrophobicContact CZ-CD1 3.59Å; I287-V330 HydrophobicContact CG2-CG1 4Å; I287-Y333 HydrophobicContact CD1-CD1 4.46Å; I287-Y333 HydrophobicContact CD1-CG 4.08Å; I287-Y333 PolarHBondContact N-O 2.92Å; I287-Y418 WeakPolarHBondContact CA-O 3.34Å; I287-V420 HydrophobicContact CG2-CB 4.35Å; I287-V420 HydrophobicContact CG2-CG2 3.57Å; I287-L513 HydrophobicContact CD1-CD1 4.47Å; I287-L513 HydrophobicContact CG1-CD1 4.48Å
288N93.1Very high93.9Very high33 Ų3315 Ų1518%0.17610%0.102CC..EExtended strand (participates in β ladder)trans-78.9120.4179.3-61.7-88.2000109.8Q417 Y418 F419 V420N288-Q417 PolarHBondContact ND2-OE1 2.84Å; N288-Q417 PolarHBondContact OD1-OE1 2.78Å; N288-Y418 PolarHBondContact N-O 3.46Å; N288-Y418 PolarHBondContact ND2-O 2.93Å; N288-F419 HydrophobicContact CB-CD1 3.54Å; N288-F419 HydrophobicContact CB-CE1 3.75Å; N288-F419 HydrophobicContact CB-CG 4.23Å; N288-F419 CarbonylContact O-C 3.53Å; N288-F419 WeakPolarHBondContact O-CA 3.22Å; N288-V420 PolarHBondContact O-N 2.93Å
289F94.9Very high94.1Very high1 Ų115.1 Ų15.10%0.00410%0.102CC..EExtended strand (participates in β ladder)trans-105.1125.6-175-173.8-120.2000112.1V291 V326 V330 F339 P340 I373 V420 L422F289-V291 HydrophobicContact CD1-CG2 4.05Å; F289-V291 HydrophobicContact CE1-CG2 3.43Å; F289-V291 VanDerWaalsContact CE1-CG2 3.43Å; F289-V291 HydrophobicContact CZ-CG2 3.82Å; F289-V326 HydrophobicContact CE2-CG1 4.32Å; F289-V326 HydrophobicContact CZ-CG1 4.25Å; F289-V330 HydrophobicContact CB-CG1 3.83Å; F289-V330 HydrophobicContact CD2-CB 4.21Å; F289-V330 HydrophobicContact CD2-CG1 3.74Å; F289-V330 HydrophobicContact CD2-CG2 4.45Å; F289-V330 HydrophobicContact CE2-CB 4.49Å; F289-V330 HydrophobicContact CE2-CG1 4.45Å; F289-V330 HydrophobicContact CE2-CG2 4.4Å; F289-V330 HydrophobicContact CG-CB 4.38Å; F289-V330 HydrophobicContact CG-CG1 3.87Å; F289-F339 HydrophobicContact CB-CD1 3.7Å; F289-F339 HydrophobicContact CB-CE1 3.8Å; F289-F339 HydrophobicContact CD1-CD1 4.18Å; F289-F339 HydrophobicContact CD1-CE1 4.48Å; F289-F339 HydrophobicContact CD1-CG 4.24Å; F289-F339 HydrophobicContact CG-CD1 4.46Å; F289-F339 WeakPolarHBondContact O-CD1 3.24Å; F289-P340 WeakPolarHBondContact O-CD 3.49Å; F289-I373 HydrophobicContact CD1-CD1 4.37Å; F289-I373 HydrophobicContact CE1-CD1 4.05Å; F289-V420 HydrophobicContact CD2-CB 4.16Å; F289-V420 HydrophobicContact CD2-CG1 3.98Å; F289-V420 HydrophobicContact CE2-CG1 4.17Å; F289-L422 HydrophobicContact CE2-CB 3.69Å; F289-L422 HydrophobicContact CE2-CD2 4.41Å; F289-L422 HydrophobicContact CZ-CB 3.74Å; F289-L422 HydrophobicContact CZ-CD2 3.71Å; F289-L422 HydrophobicContact CZ-CG 4.37Å
290T96.8Very high94.3Very high5 Ų514.9 Ų14.93%0.03111%0.108CC..EExtended strand (participates in β ladder)trans-121.5141.1176-61.70000110.2P340 F342 V402 V420 L421 L422T290-P340 WeakPolarHBondContact CA-O 3.46Å; T290-P340 HydrophobicContact CG2-CB 4.15Å; T290-F342 HydrophobicContact CG2-CD2 3.89Å; T290-F342 HydrophobicContact CG2-CE2 3.9Å; T290-V402 HydrophobicContact CG2-CG2 3.74Å; T290-V420 PolarHBondContact N-O 2.93Å; T290-L421 HydrophobicContact CG2-CD1 4.03Å; T290-L421 CarbonylContact O-C 3.49Å; T290-L421 WeakPolarHBondContact O-CA 3.21Å; T290-L422 PolarHBondContact O-N 3.03Å
291V97.9Very high94.4Very high0 Ų018.1 Ų18.10%013%0.126CC..EExtended strand (participates in β ladder)trans-118.1131.3-179.8-176.40000110.7F289 I293 L323 P340 A341 F342 I376 L422F289-V291 HydrophobicContact CD1-CG2 4.05Å; F289-V291 HydrophobicContact CE1-CG2 3.43Å; F289-V291 VanDerWaalsContact CE1-CG2 3.43Å; F289-V291 HydrophobicContact CZ-CG2 3.82Å; V291-I293 HydrophobicContact CG1-CD1 4.25Å; V291-I293 HydrophobicContact CG1-CG1 3.8Å; V291-L323 HydrophobicContact CG1-CD1 4.05Å; V291-L323 HydrophobicContact CG2-CD1 3.88Å; V291-P340 PolarHBondContact N-O 3.44Å; V291-A341 WeakPolarHBondContact O-CA 3.35Å; V291-F342 PolarHBondContact O-N 3.33Å; V291-I376 HydrophobicContact CB-CD1 4.46Å; V291-I376 HydrophobicContact CG2-CD1 3.75Å; V291-L422 CarbonylContact C-O 3.6Å; V291-L422 WeakPolarHBondContact CA-O 3.23Å
292G97.9Very high94.5Very high0 Ų019.6 Ų19.60%014%0.135CC..EExtended strand (participates in β ladder)trans-113.2124.2167.600000110.9F342 L422 I423 L424G292-F342 CarbonylContact C-O 3.46Å; G292-F342 WeakPolarHBondContact CA-O 3.43Å; G292-L422 PolarHBondContact N-O 3.39Å; G292-I423 WeakPolarHBondContact O-CA 3.37Å; G292-L424 PolarHBondContact O-N 3.3Å
293I98.2Very high94.6Very high1 Ų128.5 Ų28.51%0.00517%0.168CC..EExtended strand (participates in β ladder)trans-114.8125.1179.5-54.8-175.1000109.7V291 F295 Y319 F342 G343 F344 L361 Y380 L424V291-I293 HydrophobicContact CG1-CD1 4.25Å; V291-I293 HydrophobicContact CG1-CG1 3.8Å; I293-F295 HydrophobicContact CB-CD2 4.32Å; I293-F295 HydrophobicContact CB-CE2 3.76Å; I293-F295 HydrophobicContact CB-CZ 4.4Å; I293-F295 HydrophobicContact CG2-CD2 4.14Å; I293-F295 HydrophobicContact CG2-CE2 3.68Å; I293-F295 HydrophobicContact CG2-CZ 3.98Å; I293-F295 VanDerWaalsContact O-CD2 3.25Å; I293-F295 WeakPolarHBondContact O-CD2 3.35Å; I293-F295 PolarHBondContact O-N 2.58Å; I293-Y319 HydrophobicContact CG2-CD1 3.76Å; I293-Y319 HydrophobicContact CG2-CE1 3.98Å; I293-F342 PolarHBondContact N-O 3.03Å; I293-G343 CarbonylContact O-C 3.58Å; I293-G343 WeakPolarHBondContact O-CA 3.44Å; I293-F344 WeakPolarHBondContact O-CD1 3.41Å; I293-F344 PolarHBondContact O-N 2.95Å; I293-L361 HydrophobicContact CD1-CD1 3.8Å; I293-L361 HydrophobicContact CG1-CD1 4.41Å; I293-Y380 HydrophobicContact CD1-CD2 3.73Å; I293-Y380 HydrophobicContact CD1-CE2 4.43Å; I293-Y380 HydrophobicContact CD1-CG 4.44Å; I293-Y380 HydrophobicContact CG2-CD2 4.17Å; I293-Y380 HydrophobicContact CG2-CE2 3.98Å; I293-L424 HydrophobicContact CG1-CD1 4.39Å
294D97.4Very high94.9Very high0 Ų030.4 Ų30.40%018%0.181CC..EExtended strand (participates in β ladder)trans-69.1125.6172.1-168.2-19.7000110.7T296 H309 Y319 F344 T393 L424 T425D294-T296 WeakPolarHBondContact OD1-CB 3.46Å; D294-T296 WeakPolarHBondContact OD1-CG2 3.44Å; D294-T296 PolarHBondContact OD1-N 2.91Å; D294-T296 PolarHBondContact OD1-OG1 3.02Å; D294-H309 PolarHBondContact O-CE1 2.75Å; D294-H309 PolarHBondContact O-NE2 3.21Å; D294-Y319 HydrophobicContact CB-CE1 4.25Å; D294-F344 VanDerWaalsContact CA-CZ 3.5Å; D294-F344 HydrophobicContact CB-CD2 4.44Å; D294-F344 HydrophobicContact CB-CE1 4.31Å; D294-F344 HydrophobicContact CB-CE2 3.57Å; D294-F344 HydrophobicContact CB-CZ 3.5Å; D294-T393 WeakPolarHBondContact OD2-CG2 3.41Å; D294-L424 WeakPolarHBondContact CB-O 3.39Å; D294-L424 PolarHBondContact N-O 3.27Å; D294-T425 WeakPolarHBondContact OD2-CB 3.24Å; D294-T425 PolarHBondContact OD2-OG1 3.42Å
295F97.3Very high95Very high0 Ų033.2 Ų33.20%019%0.194CC..  trans-122.435.3173.2-71-85.4000110.9I293 H309 F344 G345 A346 F359 L361 Y380 V383 L384 I387 L389I293-F295 HydrophobicContact CB-CD2 4.32Å; I293-F295 HydrophobicContact CB-CE2 3.76Å; I293-F295 HydrophobicContact CB-CZ 4.4Å; I293-F295 HydrophobicContact CG2-CD2 4.14Å; I293-F295 HydrophobicContact CG2-CE2 3.68Å; I293-F295 HydrophobicContact CG2-CZ 3.98Å; I293-F295 VanDerWaalsContact O-CD2 3.25Å; I293-F295 WeakPolarHBondContact O-CD2 3.35Å; I293-F295 PolarHBondContact O-N 2.58Å; F295-H309 AromaticContact CD1-CE1 3.94Å; F295-H309 AromaticContact CD1-NE2 3.78Å; F295-F344 PolarHBondContact N-O 3.21Å; F295-G345 VanDerWaalsContact O-O 3.13Å; F295-A346 HydrophobicContact CB-CB 3.83Å; F295-F359 HydrophobicContact CD2-CE1 4.5Å; F295-F359 AromaticContact CD2-CZ 3.78Å; F295-F359 HydrophobicContact CD2-CZ 3.78Å; F295-F359 HydrophobicContact CE2-CZ 4.18Å; F295-F359 HydrophobicContact CG-CZ 4.35Å; F295-L361 HydrophobicContact CE2-CD2 3.57Å; F295-L361 HydrophobicContact CZ-CD2 4.05Å; F295-Y380 HydrophobicContact CE1-CD2 4Å; F295-Y380 AromaticContact CE1-CE2 3.75Å; F295-Y380 HydrophobicContact CE1-CE2 3.75Å; F295-Y380 AromaticContact CZ-CD2 3.57Å; F295-Y380 HydrophobicContact CZ-CD2 3.57Å; F295-Y380 AromaticContact CZ-CE2 3.75Å; F295-Y380 HydrophobicContact CZ-CE2 3.75Å; F295-V383 HydrophobicContact CE1-CG1 4.22Å; F295-V383 HydrophobicContact CE2-CG1 4.46Å; F295-V383 HydrophobicContact CZ-CG1 3.72Å; F295-L384 HydrophobicContact CD1-CD1 3.91Å; F295-L384 HydrophobicContact CE1-CB 4.36Å; F295-L384 HydrophobicContact CE1-CD1 3.76Å; F295-I387 HydrophobicContact CB-CD1 3.89Å; F295-I387 HydrophobicContact CD1-CD1 3.38Å; F295-I387 HydrophobicContact CD2-CD1 4.28Å; F295-I387 HydrophobicContact CE1-CD1 3.81Å; F295-I387 HydrophobicContact CG-CD1 3.61Å; F295-I387 HydrophobicContact CZ-CD1 4.42Å; F295-L389 HydrophobicContact CB-CD2 3.81Å; F295-L389 HydrophobicContact CD1-CD2 4.01Å; F295-L389 HydrophobicContact CG-CD2 4.42Å; F295-L389 WeakPolarHBondContact O-CA 3.35Å; F295-L389 WeakPolarHBondContact O-CB 3.21Å; F295-L389 VanDerWaalsContact O-CD2 3.23Å; F295-L389 WeakPolarHBondContact O-CD2 3.5Å
296T96.2Very high95Very high2 Ų240.2 Ų40.21%0.01223%0.231CC..BIsolated β-bridgetrans-76.3159.8177.158.70000112.4D294 S298 N299 S390 T393D294-T296 WeakPolarHBondContact OD1-CB 3.46Å; D294-T296 WeakPolarHBondContact OD1-CG2 3.44Å; D294-T296 PolarHBondContact OD1-N 2.91Å; D294-T296 PolarHBondContact OD1-OG1 3.02Å; T296-S298 PolarHBondContact O-N 3.4Å; T296-S298 PolarHBondContact OG1-OG 3.15Å; T296-N299 WeakPolarHBondContact O-CB 3.02Å; T296-N299 PolarHBondContact O-N 3.13Å; T296-N299 PolarHBondContact O-ND2 3.22Å; T296-N299 VanDerWaalsContact O-ND2 3.12Å; T296-N299 PolarHBondContact OG1-ND2 2.93Å; T296-S390 CarbonylContact C-O 3.51Å; T296-S390 WeakPolarHBondContact CA-O 3.41Å; T296-S390 VanDerWaalsContact CB-O 3.22Å; T296-S390 WeakPolarHBondContact CB-O 3.37Å; T296-T393 HydrophobicContact CG2-CG2 4.48Å; T296-T393 WeakPolarHBondContact CG2-OG1 3.33Å
297G94.4Very high95.2Very high39 Ų3937.7 Ų37.740%0.40222%0.22SC..G310 helixtrans-68.1-17-175.400000114.3N299 G300 S390G297-N299 PolarHBondContact O-N 2.84Å; G297-G300 PolarHBondContact O-N 3.31Å; G297-G300 VanDerWaalsContact O-N 3.08Å; G297-S390 PolarHBondContact N-O 3Å
298S93.8Very high95.4Very high76 Ų7639.1 Ų39.153%0.53123%0.227SC..G310 helixtrans-58.2-27.7172.744.20000112.3T296 G300 D426T296-S298 PolarHBondContact O-N 3.4Å; T296-S298 PolarHBondContact OG1-OG 3.15Å; S298-G300 PolarHBondContact O-N 3.45Å; S298-G300 VanDerWaalsContact O-N 3.15Å; S298-D426 WeakPolarHBondContact CB-OD2 3.26Å; S298-D426 VanDerWaalsContact OG-CG 3.31Å; S298-D426 PolarHBondContact OG-OD1 3.38Å; S298-D426 PolarHBondContact OG-OD2 3.48Å
299N95.4Very high95.6Very high4 Ų437.6 Ų37.62%0.02122%0.219CC..G310 helixtrans-66.8-12.7176.2-73-77000114.7T296 G297 S307 L308 H309 Y319 L389 D426T296-N299 WeakPolarHBondContact O-CB 3.02Å; T296-N299 PolarHBondContact O-N 3.13Å; T296-N299 PolarHBondContact O-ND2 3.22Å; T296-N299 VanDerWaalsContact O-ND2 3.12Å; T296-N299 PolarHBondContact OG1-ND2 2.93Å; G297-N299 PolarHBondContact O-N 2.84Å; N299-S307 VanDerWaalsContact O-CA 3.24Å; N299-S307 WeakPolarHBondContact O-CA 3.12Å; N299-S307 WeakPolarHBondContact O-CB 3.25Å; N299-S307 PolarHBondContact O-OG 3.03Å; N299-L308 PolarHBondContact O-N 2.9Å; N299-L308 VanDerWaalsContact O-N 3.13Å; N299-L308 WeakPolarHBondContact OD1-CB 3.47Å; N299-H309 VanDerWaalsContact CB-CD2 3.46Å; N299-H309 WeakPolarHBondContact CB-CD2 3.38Å; N299-Y319 PolarHBondContact ND2-OH 2.66Å; N299-Y319 VanDerWaalsContact OD1-CE2 3.29Å; N299-Y319 WeakPolarHBondContact OD1-CE2 3.5Å; N299-Y319 PolarHBondContact OD1-OH 3.44Å; N299-L389 HydrophobicContact CB-CD1 4.19Å; N299-D426 PolarHBondContact N-OD2 3.45Å; N299-D426 VanDerWaalsContact N-OD2 3.13Å; N299-D426 PolarHBondContact ND2-OD1 3.31Å; N299-D426 PolarHBondContact ND2-OD2 2.62Å; N299-D426 VanDerWaalsContact OD1-CB 3.29Å; N299-D426 WeakPolarHBondContact OD1-CB 3.21Å; N299-D426 VanDerWaalsContact OD1-CG 3.24Å
300G94.6Very high95.6Very high31 Ų3140.7 Ų40.732%0.3223%0.231SC..  trans72.5169.8-176.800000114G297 S298 P302 S307 L389G297-G300 PolarHBondContact O-N 3.31Å; G297-G300 VanDerWaalsContact O-N 3.08Å; S298-G300 PolarHBondContact O-N 3.45Å; S298-G300 VanDerWaalsContact O-N 3.15Å; G300-P302 WeakPolarHBondContact O-CD 3.14Å; G300-S307 PolarHBondContact O-OG 2.67Å; G300-S307 VanDerWaalsContact O-OG 3.13Å; G300-L389 WeakPolarHBondContact O-CD1 3.33Å
301D94.7Very high95.4Very high72 Ų7243.7 Ų43.739%0.38525%0.246SC..  trans-60.1119.5-178.3-174.5-25.4000111.2R303 S304 S307D301-R303 PolarHBondContact O-N 2.78Å; D301-R303 WeakPolarHBondContact OD1-CB 3.11Å; D301-R303 IonicContact OD1-CZ 3.44Å; D301-R303 PolarHBondContact OD1-N 2.75Å; D301-R303 IonicContact OD1-NE 3.74Å; D301-R303 PolarHBondContact OD1-NE 2.76Å; D301-R303 IonicContact OD1-NH2 2.71Å; D301-R303 IonicContact OD2-CZ 2.99Å; D301-R303 IonicContact OD2-NE 3.82Å; D301-R303 PolarHBondContact OD2-NE 2.86Å; D301-R303 IonicContact OD2-NH2 2.69Å; D301-R303 PolarHBondContact OD2-NH2 2.9Å; D301-S304 WeakPolarHBondContact O-CA 3.31Å; D301-S304 WeakPolarHBondContact O-CB 3.34Å; D301-S304 PolarHBondContact O-N 3.16Å; D301-S307 WeakPolarHBondContact O-CB 3.48Å
302P95Very high94.9Very high32 Ų3245.8 Ų45.821%0.20826%0.26CS..THydrogen-bonded Turntrans-57.3-17.2-178.2-27.235.8000115.4G300 S304 H309 L384 L389G300-P302 WeakPolarHBondContact O-CD 3.14Å; P302-S304 VanDerWaalsContact C-N 3.34Å; P302-H309 HydrophobicContact CB-CB 4.25Å; P302-H309 HydrophobicContact CG-CB 4.3Å; P302-L384 HydrophobicContact CB-CD1 4.01Å; P302-L384 HydrophobicContact CB-CD2 4.11Å; P302-L384 HydrophobicContact CB-CG 4.07Å; P302-L384 HydrophobicContact CG-CD1 3.7Å; P302-L384 HydrophobicContact CG-CG 4.24Å; P302-L389 HydrophobicContact CG-CD1 3.85Å; P302-L389 HydrophobicContact CG-CD2 4.48Å; P302-L389 HydrophobicContact CG-CG 4.23Å
303R92.7Very high94.2Very high202 Ų20251.2 Ų51.276%0.76230%0.296SS*.THydrogen-bonded Turntrans-81.7-16175.6-59.8171-66.5179.53.1112.7D301D301-R303 PolarHBondContact O-N 2.78Å; D301-R303 WeakPolarHBondContact OD1-CB 3.11Å; D301-R303 IonicContact OD1-CZ 3.44Å; D301-R303 PolarHBondContact OD1-N 2.75Å; D301-R303 IonicContact OD1-NE 3.74Å; D301-R303 PolarHBondContact OD1-NE 2.76Å; D301-R303 IonicContact OD1-NH2 2.71Å; D301-R303 IonicContact OD2-CZ 2.99Å; D301-R303 IonicContact OD2-NE 3.82Å; D301-R303 PolarHBondContact OD2-NE 2.86Å; D301-R303 IonicContact OD2-NH2 2.69Å; D301-R303 PolarHBondContact OD2-NH2 2.9Å
304S95.4Very high93.3Very high44 Ų4458.7 Ų58.731%0.30834%0.335SS..SBendtrans-83.5131.8178.2-177.80000110.5D301 P302 N306 S307 Y310D301-S304 WeakPolarHBondContact O-CA 3.31Å; D301-S304 WeakPolarHBondContact O-CB 3.34Å; D301-S304 PolarHBondContact O-N 3.16Å; P302-S304 VanDerWaalsContact C-N 3.34Å; S304-N306 PolarHBondContact O-N 3.09Å; S304-N306 PolarHBondContact OG-N 2.88Å; S304-S307 WeakPolarHBondContact O-CB 3.36Å; S304-S307 PolarHBondContact O-N 3.16Å; S304-Y310 WeakPolarHBondContact O-CB 3.29Å; S304-Y310 VanDerWaalsContact O-CD2 3.28Å; S304-Y310 WeakPolarHBondContact O-CD2 3.04Å
305P93.3Very high92.5Very high90 Ų9060.7 Ų60.758%0.58436%0.356SS*.THydrogen-bonded Turntrans-57.4-18.6173-26.735.7000115Y310P305-Y310 HydrophobicContact CB-CD1 4.43Å; P305-Y310 HydrophobicContact CB-CE1 4.2Å; P305-Y310 HydrophobicContact CB-CE2 4.48Å; P305-Y310 HydrophobicContact CG-CE2 4.18Å
306N92.9Very high92.1Very high152 Ų15264.6 Ų64.681%0.81338%0.377SS*.THydrogen-bonded Turntrans-86.7-6.4177.4-64.8-26.7000113.3S304S304-N306 PolarHBondContact O-N 3.09Å; S304-N306 PolarHBondContact OG-N 2.88Å
307S95.7Very high92Very high8 Ų865.4 Ų65.46%0.05638%0.381CS..SBendtrans-74.4143.4178173.60000111.4N299 G300 D301 S304 H309 Y310N299-S307 VanDerWaalsContact O-CA 3.24Å; N299-S307 WeakPolarHBondContact O-CA 3.12Å; N299-S307 WeakPolarHBondContact O-CB 3.25Å; N299-S307 PolarHBondContact O-OG 3.03Å; G300-S307 PolarHBondContact O-OG 2.67Å; G300-S307 VanDerWaalsContact O-OG 3.13Å; D301-S307 WeakPolarHBondContact O-CB 3.48Å; S304-S307 WeakPolarHBondContact O-CB 3.36Å; S304-S307 PolarHBondContact O-N 3.16Å; S307-H309 PolarHBondContact O-N 3.41Å; S307-H309 PolarHBondContact OG-N 3.35Å; S307-H309 VanDerWaalsContact OG-N 3.09Å; S307-Y310 WeakPolarHBondContact O-CB 3.39Å; S307-Y310 PolarHBondContact O-N 3.17Å; S307-Y310 VanDerWaalsContact O-N 3.11Å
308L95.7Very high92Very high30 Ų3066.4 Ų66.416%0.15738%0.375CS..THydrogen-bonded Turntrans-69.9-19.9173.3-63.3173.2000112.4N299 N317 Y319 D426 V454N299-L308 PolarHBondContact O-N 2.9Å; N299-L308 VanDerWaalsContact O-N 3.13Å; N299-L308 WeakPolarHBondContact OD1-CB 3.47Å; L308-N317 WeakPolarHBondContact O-CB 3.22Å; L308-Y319 HydrophobicContact CB-CD2 4.48Å; L308-Y319 HydrophobicContact CB-CE2 3.95Å; L308-D426 HydrophobicContact CD1-CB 3.28Å; L308-V454 HydrophobicContact CD1-CG2 4.35Å
309H96.9Very high92.1Very high0 Ų062.9 Ų62.90%035%0.35CS..THydrogen-bonded Turntrans-90.90.3171.6-70.9-52.4000113.8D294 F295 N299 P302 S307 M311 N317 Y319 Y380 L384D294-H309 PolarHBondContact O-CE1 2.75Å; D294-H309 PolarHBondContact O-NE2 3.21Å; F295-H309 AromaticContact CD1-CE1 3.94Å; F295-H309 AromaticContact CD1-NE2 3.78Å; N299-H309 VanDerWaalsContact CB-CD2 3.46Å; N299-H309 WeakPolarHBondContact CB-CD2 3.38Å; P302-H309 HydrophobicContact CB-CB 4.25Å; P302-H309 HydrophobicContact CG-CB 4.3Å; S307-H309 PolarHBondContact O-N 3.41Å; S307-H309 PolarHBondContact OG-N 3.35Å; S307-H309 VanDerWaalsContact OG-N 3.09Å; H309-M311 PolarHBondContact O-N 3.06Å; H309-N317 PolarHBondContact O-ND2 3.38Å; H309-Y319 AromaticContact CE1-CD2 3.76Å; H309-Y319 AromaticContact CE1-CE2 3.46Å; H309-Y319 VanDerWaalsContact CE1-CE2 3.46Å; H309-Y319 WeakPolarHBondContact CE1-CE2 3.48Å; H309-Y319 AromaticContact CE1-CZ 3.61Å; H309-Y319 AromaticContact ND1-CD2 3.6Å; H309-Y319 AromaticContact ND1-CE2 3.67Å; H309-Y380 AromaticContact ND1-CE2 3.81Å; H309-Y380 AromaticContact ND1-CZ 3.72Å; H309-Y380 PolarHBondContact ND1-OH 3.4Å; H309-L384 HydrophobicContact CB-CD1 3.9Å; H309-L384 HydrophobicContact CB-CD2 4.04Å; H309-L384 WeakPolarHBondContact O-CD2 3.2Å
310Y96.1Very high92Very high67 Ų6762.9 Ų62.926%0.26335%0.35SS..  trans-55129.4-177.5-177.6-114.3000111.5S304 P305 S307 S312 N317S304-Y310 WeakPolarHBondContact O-CB 3.29Å; S304-Y310 VanDerWaalsContact O-CD2 3.28Å; S304-Y310 WeakPolarHBondContact O-CD2 3.04Å; P305-Y310 HydrophobicContact CB-CD1 4.43Å; P305-Y310 HydrophobicContact CB-CE1 4.2Å; P305-Y310 HydrophobicContact CB-CE2 4.48Å; P305-Y310 HydrophobicContact CG-CE2 4.18Å; S307-Y310 WeakPolarHBondContact O-CB 3.39Å; S307-Y310 PolarHBondContact O-N 3.17Å; S307-Y310 VanDerWaalsContact O-N 3.11Å; Y310-S312 PolarHBondContact O-N 3.03Å; Y310-N317 WeakPolarHBondContact O-CB 3.03Å; Y310-N317 PolarHBondContact O-ND2 3.47Å
311M92.1Very high91.9Very high68 Ų6862.9 Ų62.934%0.33535%0.345SS..  trans-94.883.3178.5-66.5-68.3-159.400109.1H309 L320 Y380 R381 L384H309-M311 PolarHBondContact O-N 3.06Å; M311-L320 HydrophobicContact SD-CD1 4.06Å; M311-Y380 HydrophobicContact CE-CD1 3.38Å; M311-Y380 HydrophobicContact CE-CE1 3.06Å; M311-Y380 HydrophobicContact SD-CE1 4.01Å; M311-R381 HydrophobicContact CE-CB 4.31Å; M311-R381 HydrophobicContact CE-CG 3.63Å; M311-R381 HydrophobicContact SD-CG 4.43Å; M311-L384 HydrophobicContact CE-CD2 3.7Å; M311-L384 HydrophobicContact CG-CD2 4.09Å
312S87.3Confident91.8Very high43 Ų4359.5 Ų59.530%0.30133%0.327SS..  trans-65.8139.2178.4-173.40000111.3Y310 D314Y310-S312 PolarHBondContact O-N 3.03Å; S312-D314 PolarHBondContact O-N 3.16Å; S312-D314 PolarHBondContact OG-N 3.39Å; S312-D314 VanDerWaalsContact OG-N 3.13Å
313P83.8Confident91.8Very high115 Ų11558 Ų5875%0.74732%0.317SS*.THydrogen-bonded Turntrans-60.2-26.3165.8-21.633.4000113.1
314D78.2Confident91.7Very high157 Ų15751.9 Ų51.984%0.8429%0.294SS*.THydrogen-bonded Turntrans-97.2-2.9-168.6-57.5-46.9000114S312S312-D314 PolarHBondContact O-N 3.16Å; S312-D314 PolarHBondContact OG-N 3.39Å; S312-D314 VanDerWaalsContact OG-N 3.13Å
315G81.1Confident91.4Very high42 Ų4250.5 Ų50.543%0.43329%0.285SS..SBendtrans173.7175-178.200000115.6
316L88.8Confident91.2Very high82 Ų8246.2 Ų46.243%0.42926%0.257SS..  trans-80142.6175.7-60-179.5000110.7L320 W324L316-L320 HydrophobicContact CB-CB 4.04Å; L316-L320 HydrophobicContact CD1-CB 4.46Å; L316-L320 HydrophobicContact CD2-CB 4.12Å; L316-L320 HydrophobicContact CD2-CD1 3.97Å; L316-L320 HydrophobicContact CG-CB 4.43Å; L316-W324 HydrophobicContact CD1-CG 4.37Å
317N93.7Very high91Very high19 Ų1939 Ų3910%0.10222%0.218CC..  trans-72.8174.8165.259.841.8000111.4L308 H309 Y310 Y319 L320 S321 Y380L308-N317 WeakPolarHBondContact O-CB 3.22Å; H309-N317 PolarHBondContact O-ND2 3.38Å; Y310-N317 WeakPolarHBondContact O-CB 3.03Å; Y310-N317 PolarHBondContact O-ND2 3.47Å; N317-Y319 PolarHBondContact O-N 3.02Å; N317-Y319 WeakPolarHBondContact OD1-CB 3.42Å; N317-Y319 PolarHBondContact OD1-N 2.92Å; N317-L320 PolarHBondContact O-N 3.3Å; N317-L320 WeakPolarHBondContact OD1-CB 3.47Å; N317-L320 WeakPolarHBondContact OD1-CG 3.47Å; N317-L320 PolarHBondContact OD1-N 2.8Å; N317-S321 WeakPolarHBondContact O-CB 3.17Å; N317-S321 PolarHBondContact O-N 2.9Å; N317-S321 PolarHBondContact O-OG 3.35Å; N317-Y380 PolarHBondContact ND2-OH 3.06Å
318Q93.9Very high90.7Very high61 Ų6141.3 Ų41.329%0.28523%0.228SC..Hα-helixtrans-65.9-36.9-175-62-173.325.300112.3S321 A322 V454 F490Q318-S321 PolarHBondContact O-N 2.72Å; Q318-A322 WeakPolarHBondContact O-CB 3.45Å; Q318-A322 PolarHBondContact O-N 2.77Å; Q318-V454 HydrophobicContact CB-CB 3.85Å; Q318-V454 HydrophobicContact CB-CG1 3.75Å; Q318-F490 HydrophobicContact CB-CD1 4Å; Q318-F490 HydrophobicContact CB-CE1 4.02Å; Q318-F490 HydrophobicContact CB-CG 4.43Å; Q318-F490 HydrophobicContact CB-CZ 4.44Å; Q318-F490 HydrophobicContact CG-CD1 3.84Å; Q318-F490 HydrophobicContact CG-CE1 3.71Å; Q318-F490 HydrophobicContact CG-CZ 4.47Å
319Y96.1Very high90.4Very high1 Ų140.2 Ų40.20%0.00422%0.223CC..Hα-helixtrans-57.1-53173.8-76.2-86.4000111.8I293 D294 N299 L308 H309 N317 S321 A322 L323 L424 D426 V454I293-Y319 HydrophobicContact CG2-CD1 3.76Å; I293-Y319 HydrophobicContact CG2-CE1 3.98Å; D294-Y319 HydrophobicContact CB-CE1 4.25Å; N299-Y319 PolarHBondContact ND2-OH 2.66Å; N299-Y319 VanDerWaalsContact OD1-CE2 3.29Å; N299-Y319 WeakPolarHBondContact OD1-CE2 3.5Å; N299-Y319 PolarHBondContact OD1-OH 3.44Å; L308-Y319 HydrophobicContact CB-CD2 4.48Å; L308-Y319 HydrophobicContact CB-CE2 3.95Å; H309-Y319 AromaticContact CE1-CD2 3.76Å; H309-Y319 AromaticContact CE1-CE2 3.46Å; H309-Y319 VanDerWaalsContact CE1-CE2 3.46Å; H309-Y319 WeakPolarHBondContact CE1-CE2 3.48Å; H309-Y319 AromaticContact CE1-CZ 3.61Å; H309-Y319 AromaticContact ND1-CD2 3.6Å; H309-Y319 AromaticContact ND1-CE2 3.67Å; N317-Y319 PolarHBondContact O-N 3.02Å; N317-Y319 WeakPolarHBondContact OD1-CB 3.42Å; N317-Y319 PolarHBondContact OD1-N 2.92Å; Y319-S321 VanDerWaalsContact C-N 3.33Å; Y319-S321 PolarHBondContact O-N 2.96Å; Y319-A322 PolarHBondContact O-N 2.94Å; Y319-L323 WeakPolarHBondContact O-CB 3.39Å; Y319-L323 PolarHBondContact O-N 3.18Å; Y319-L424 HydrophobicContact CD1-CB 3.57Å; Y319-L424 HydrophobicContact CD1-CD1 4.13Å; Y319-L424 HydrophobicContact CE1-CB 3.8Å; Y319-L424 WeakPolarHBondContact O-CD1 3.12Å; Y319-D426 PolarHBondContact OH-N 2.9Å; Y319-V454 HydrophobicContact CD2-CG2 4.02Å; Y319-V454 HydrophobicContact CE1-CG2 4.09Å; Y319-V454 HydrophobicContact CE2-CG2 3.49Å; Y319-V454 VanDerWaalsContact CE2-CG2 3.49Å
320L94.4Very high90Very high4 Ų440.2 Ų40.22%0.02122%0.223CC..Hα-helixtrans-66-37.7-180-70.3-178.4000111.7M311 L316 N317 L323 W324 V377 Y380M311-L320 HydrophobicContact SD-CD1 4.06Å; L316-L320 HydrophobicContact CB-CB 4.04Å; L316-L320 HydrophobicContact CD1-CB 4.46Å; L316-L320 HydrophobicContact CD2-CB 4.12Å; L316-L320 HydrophobicContact CD2-CD1 3.97Å; L316-L320 HydrophobicContact CG-CB 4.43Å; N317-L320 PolarHBondContact O-N 3.3Å; N317-L320 WeakPolarHBondContact OD1-CB 3.47Å; N317-L320 WeakPolarHBondContact OD1-CG 3.47Å; N317-L320 PolarHBondContact OD1-N 2.8Å; L320-L323 HydrophobicContact CD2-CD2 4.42Å; L320-L323 PolarHBondContact O-N 2.85Å; L320-W324 WeakPolarHBondContact O-CB 3.13Å; L320-W324 PolarHBondContact O-N 3.48Å; L320-V377 HydrophobicContact CD2-CB 4.43Å; L320-V377 HydrophobicContact CD2-CG1 4.11Å; L320-V377 HydrophobicContact CD2-CG2 4.09Å; L320-Y380 HydrophobicContact CD1-CD1 4.2Å; L320-Y380 HydrophobicContact CD1-CE1 3.99Å; L320-Y380 HydrophobicContact CD2-CD1 3.53Å; L320-Y380 HydrophobicContact CD2-CE1 3.83Å; L320-Y380 HydrophobicContact CD2-CG 4.2Å; L320-Y380 HydrophobicContact CG-CD1 3.99Å; L320-Y380 HydrophobicContact CG-CE1 3.76Å
321S92.4Very high89.6Confident32 Ų3238.2 Ų38.222%0.22422%0.216CC..Hα-helixtrans-64.4-43177.9-59.10000112N317 Q318 Y319 S325N317-S321 WeakPolarHBondContact O-CB 3.17Å; N317-S321 PolarHBondContact O-N 2.9Å; N317-S321 PolarHBondContact O-OG 3.35Å; Q318-S321 PolarHBondContact O-N 2.72Å; Y319-S321 VanDerWaalsContact C-N 3.33Å; Y319-S321 PolarHBondContact O-N 2.96Å; S321-S325 WeakPolarHBondContact O-CB 3.46Å; S321-S325 PolarHBondContact O-N 2.89Å; S321-S325 PolarHBondContact O-OG 3.4Å
322A92.8Very high89.6Confident0 Ų035.5 Ų35.50%020%0.203CC..Hα-helixtrans-64.6-47.4174.400000111.5Q318 Y319 W324 S325 V326 L424 V452 F490 L501Q318-A322 WeakPolarHBondContact O-CB 3.45Å; Q318-A322 PolarHBondContact O-N 2.77Å; Y319-A322 PolarHBondContact O-N 2.94Å; A322-W324 VanDerWaalsContact C-N 3.35Å; A322-W324 PolarHBondContact O-N 2.93Å; A322-S325 PolarHBondContact O-N 3.31Å; A322-V326 WeakPolarHBondContact O-CG2 3.35Å; A322-V326 PolarHBondContact O-N 2.88Å; A322-L424 HydrophobicContact CB-CD2 3.8Å; A322-V452 HydrophobicContact CB-CG1 3.92Å; A322-F490 HydrophobicContact CB-CD2 4Å; A322-F490 HydrophobicContact CB-CE2 4.22Å; A322-L501 HydrophobicContact CB-CD2 4.36Å
323L94.2Very high89.6Confident0 Ų033.8 Ų33.80%019%0.19CC..Hα-helixtrans-56.7-46.2177.1177.761.6000112.1V291 Y319 L320 G327 I373 I376 V377 L422 L424V291-L323 HydrophobicContact CG1-CD1 4.05Å; V291-L323 HydrophobicContact CG2-CD1 3.88Å; Y319-L323 WeakPolarHBondContact O-CB 3.39Å; Y319-L323 PolarHBondContact O-N 3.18Å; L320-L323 HydrophobicContact CD2-CD2 4.42Å; L320-L323 PolarHBondContact O-N 2.85Å; L323-G327 WeakPolarHBondContact O-CA 3.38Å; L323-G327 PolarHBondContact O-N 2.91Å; L323-I373 HydrophobicContact CG-CG2 4.12Å; L323-I376 HydrophobicContact CD1-CD1 4.33Å; L323-I376 HydrophobicContact CD1-CG2 4.31Å; L323-I376 HydrophobicContact CD2-CB 4.12Å; L323-I376 HydrophobicContact CD2-CG2 3.61Å; L323-V377 HydrophobicContact CD2-CG2 4.08Å; L323-L422 HydrophobicContact CD1-CD2 4.39Å; L323-L424 HydrophobicContact CB-CD1 4.16Å
324W91.3Very high89.8Confident74 Ų7428.8 Ų28.828%0.2816%0.156SC..Hα-helixtrans-63.7-45.3176.7-89.5100.1000111.9L316 L320 A322 V326 Q328 I373 V377L316-W324 HydrophobicContact CD1-CG 4.37Å; L320-W324 WeakPolarHBondContact O-CB 3.13Å; L320-W324 PolarHBondContact O-N 3.48Å; A322-W324 VanDerWaalsContact C-N 3.35Å; A322-W324 PolarHBondContact O-N 2.93Å; W324-V326 PolarHBondContact O-N 2.83Å; W324-Q328 HydrophobicContact CE3-CG 3.51Å; W324-Q328 VanDerWaalsContact CE3-NE2 3.27Å; W324-Q328 HydrophobicContact CZ3-CG 3.93Å; W324-Q328 VanDerWaalsContact O-CB 3.23Å; W324-Q328 WeakPolarHBondContact O-CB 3.41Å; W324-Q328 WeakPolarHBondContact O-CG 3.37Å; W324-Q328 PolarHBondContact O-N 2.86Å; W324-Q328 VanDerWaalsContact O-N 3.09Å; W324-I373 HydrophobicContact CD2-CG2 4.2Å; W324-I373 HydrophobicContact CE3-CG2 4.45Å; W324-V377 HydrophobicContact CZ2-CG2 4.35Å
325S88.9Confident90Very high15 Ų1526.4 Ų26.411%0.10515%0.148CC..Hα-helixtrans-62.3-46.5-176.2-57.60000111.7S321 A322 A502S321-S325 WeakPolarHBondContact O-CB 3.46Å; S321-S325 PolarHBondContact O-N 2.89Å; S321-S325 PolarHBondContact O-OG 3.4Å; A322-S325 PolarHBondContact O-N 3.31Å; S325-A502 WeakPolarHBondContact O-CB 3.44Å
326V88.6Confident90.3Very high0 Ų028.6 Ų28.60%015%0.15CC..Hα-helixtrans-79.1-48.5-178-177.70000111F289 A322 W324 Q328 V329 V330 L422 V505 L506F289-V326 HydrophobicContact CE2-CG1 4.32Å; F289-V326 HydrophobicContact CZ-CG1 4.25Å; A322-V326 WeakPolarHBondContact O-CG2 3.35Å; A322-V326 PolarHBondContact O-N 2.88Å; W324-V326 PolarHBondContact O-N 2.83Å; V326-Q328 VanDerWaalsContact C-N 3.31Å; V326-Q328 PolarHBondContact O-N 2.83Å; V326-V329 PolarHBondContact O-N 2.85Å; V326-V329 VanDerWaalsContact O-N 3.17Å; V326-V330 HydrophobicContact CG1-CG2 4.24Å; V326-V330 PolarHBondContact O-N 3.42Å; V326-V330 VanDerWaalsContact O-N 3.17Å; V326-L422 HydrophobicContact CB-CD2 4.12Å; V326-L422 HydrophobicContact CG1-CD2 4.19Å; V326-V505 HydrophobicContact CB-CG1 4.38Å; V326-V505 HydrophobicContact CG1-CG1 3.94Å; V326-V505 HydrophobicContact CG2-CB 4.03Å; V326-V505 HydrophobicContact CG2-CG1 3.48Å; V326-V505 VanDerWaalsContact CG2-CG1 3.48Å; V326-V505 HydrophobicContact CG2-CG2 4.19Å; V326-L506 HydrophobicContact CG1-CD2 4.08Å; V326-L506 HydrophobicContact CG1-CG 4.45Å
327G90.1Very high90.4Very high0 Ų027 Ų270%014%0.139CC..Hα-helixtrans-66.6-28.7-173.700000114.1L323 V329 Q331 I373L323-G327 WeakPolarHBondContact O-CA 3.38Å; L323-G327 PolarHBondContact O-N 2.91Å; G327-V329 VanDerWaalsContact C-N 3.27Å; G327-V329 PolarHBondContact O-N 2.92Å; G327-Q331 VanDerWaalsContact O-CB 3.29Å; G327-Q331 WeakPolarHBondContact O-CB 3.29Å; G327-Q331 WeakPolarHBondContact O-CG 3.4Å; G327-Q331 PolarHBondContact O-N 2.9Å; G327-Q331 VanDerWaalsContact O-N 3.16Å; G327-Q331 PolarHBondContact O-NE2 2.77Å; G327-I373 VanDerWaalsContact C-CG1 3.5Å; G327-I373 VanDerWaalsContact CA-CD1 3.41Å; G327-I373 WeakPolarHBondContact O-CG1 3.11Å
328Q89Confident90.4Very high58 Ų5829.1 Ų29.127%0.27115%0.15SC..Hα-helixtrans-65.6-31.3175.1-75.3-62.3-44.200113.4V70 W324 V326V70-Q328 HydrophobicContact CG2-CB 4.09Å; V70-Q328 WeakPolarHBondContact CG2-O 3.42Å; W324-Q328 HydrophobicContact CE3-CG 3.51Å; W324-Q328 VanDerWaalsContact CE3-NE2 3.27Å; W324-Q328 HydrophobicContact CZ3-CG 3.93Å; W324-Q328 VanDerWaalsContact O-CB 3.23Å; W324-Q328 WeakPolarHBondContact O-CB 3.41Å; W324-Q328 WeakPolarHBondContact O-CG 3.37Å; W324-Q328 PolarHBondContact O-N 2.86Å; W324-Q328 VanDerWaalsContact O-N 3.09Å; V326-Q328 VanDerWaalsContact C-N 3.31Å; V326-Q328 PolarHBondContact O-N 2.83Å
329V89.6Confident90.5Very high6 Ų626.2 Ų26.24%0.03614%0.137CC..Hα-helixtrans-80.5-50.9177.4179.40000110.6F67 E68 V70 V326 G327 Q331 D332 Y333 A502 L506F67-V329 WeakPolarHBondContact O-CG1 3.44Å; E68-V329 WeakPolarHBondContact O-CG2 3.41Å; V70-V329 HydrophobicContact CG2-CG2 3.84Å; V326-V329 PolarHBondContact O-N 2.85Å; V326-V329 VanDerWaalsContact O-N 3.17Å; G327-V329 VanDerWaalsContact C-N 3.27Å; G327-V329 PolarHBondContact O-N 2.92Å; V329-Q331 VanDerWaalsContact C-N 3.32Å; V329-Q331 PolarHBondContact O-N 3.06Å; V329-D332 PolarHBondContact O-N 2.96Å; V329-Y333 HydrophobicContact CG1-CE2 4.46Å; V329-Y333 WeakPolarHBondContact O-CD2 3.2Å; V329-Y333 WeakPolarHBondContact O-CE2 3.08Å; V329-A502 HydrophobicContact CG2-CB 4Å; V329-L506 HydrophobicContact CB-CD1 3.48Å; V329-L506 VanDerWaalsContact CB-CD1 3.48Å; V329-L506 HydrophobicContact CG1-CD1 3.4Å; V329-L506 VanDerWaalsContact CG1-CD1 3.4Å; V329-L506 HydrophobicContact CG2-CD1 4.06Å
330V86.8Confident90.6Very high1 Ų126.7 Ų26.71%0.00614%0.14CC..Hα-helixtrans-66.5-33-172.3-177.90000112.4I287 F289 V326 D332 Y333 L506I287-V330 HydrophobicContact CG2-CG1 4Å; F289-V330 HydrophobicContact CB-CG1 3.83Å; F289-V330 HydrophobicContact CD2-CB 4.21Å; F289-V330 HydrophobicContact CD2-CG1 3.74Å; F289-V330 HydrophobicContact CD2-CG2 4.45Å; F289-V330 HydrophobicContact CE2-CB 4.49Å; F289-V330 HydrophobicContact CE2-CG1 4.45Å; F289-V330 HydrophobicContact CE2-CG2 4.4Å; F289-V330 HydrophobicContact CG-CB 4.38Å; F289-V330 HydrophobicContact CG-CG1 3.87Å; V326-V330 HydrophobicContact CG1-CG2 4.24Å; V326-V330 PolarHBondContact O-N 3.42Å; V326-V330 VanDerWaalsContact O-N 3.17Å; V330-D332 PolarHBondContact O-N 2.86Å; V330-Y333 PolarHBondContact O-N 2.63Å; V330-L506 HydrophobicContact CG2-CD1 4.09Å; V330-L506 HydrophobicContact CG2-CD2 3.61Å
331Q89.6Confident90.7Very high24 Ų2426.5 Ų26.511%0.11214%0.139CC..THydrogen-bonded Turntrans-63.5-15-176.473.1178-87.200115.2G327 V329 K337 F339 I373G327-Q331 VanDerWaalsContact O-CB 3.29Å; G327-Q331 WeakPolarHBondContact O-CB 3.29Å; G327-Q331 WeakPolarHBondContact O-CG 3.4Å; G327-Q331 PolarHBondContact O-N 2.9Å; G327-Q331 VanDerWaalsContact O-N 3.16Å; G327-Q331 PolarHBondContact O-NE2 2.77Å; V329-Q331 VanDerWaalsContact C-N 3.32Å; V329-Q331 PolarHBondContact O-N 3.06Å; Q331-K337 PolarHBondContact O-NZ 2.81Å; Q331-F339 HydrophobicContact CB-CE2 3.84Å; Q331-F339 HydrophobicContact CB-CZ 3.57Å; Q331-I373 VanDerWaalsContact NE2-CG1 3.33Å
332D90.3Very high91Very high11 Ų1125.5 Ų25.56%0.05913%0.13CC..THydrogen-bonded Turntrans-78.8-12.8177.2-79-18.4000112.7T99 Q102 S105 V329 V330 K337T99-D332 VanDerWaalsContact CB-OD2 3.26Å; T99-D332 WeakPolarHBondContact CB-OD2 3.42Å; T99-D332 WeakPolarHBondContact CG2-OD2 3.48Å; T99-D332 PolarHBondContact OG1-OD2 3.47Å; Q102-D332 HydrophobicContact CG-CB 4.2Å; Q102-D332 WeakPolarHBondContact CG-OD1 3.5Å; Q102-D332 PolarHBondContact NE2-OD1 3.47Å; S105-D332 VanDerWaalsContact CB-O 3.3Å; S105-D332 WeakPolarHBondContact CB-O 3.4Å; S105-D332 PolarHBondContact OG-O 3.25Å; V329-D332 PolarHBondContact O-N 2.96Å; V330-D332 PolarHBondContact O-N 2.86Å; D332-K337 IonicContact OD1-NZ 3.99Å; D332-K337 PolarHBondContact OD1-NZ 2.78Å
333Y88.4Confident91.3Very high8 Ų825.5 Ų25.53%0.03113%0.13CC..SBendtrans-103.73178.3-53.3-85000113Y65 F67 V104 F277 V281 I287 V329 V330Y65-Y333 WeakPolarHBondContact CE2-OH 3.21Å; Y65-Y333 WeakPolarHBondContact OH-CE1 3.49Å; Y65-Y333 VanDerWaalsContact OH-CZ 3.3Å; Y65-Y333 PolarHBondContact OH-OH 3.15Å; F67-Y333 HydrophobicContact CD2-CD2 4.44Å; F67-Y333 HydrophobicContact CD2-CE1 4.18Å; F67-Y333 AromaticContact CD2-CE2 3.74Å; F67-Y333 HydrophobicContact CD2-CE2 3.74Å; F67-Y333 AromaticContact CD2-CZ 3.6Å; F67-Y333 AromaticContact CE2-CD2 3.85Å; F67-Y333 HydrophobicContact CE2-CD2 3.85Å; F67-Y333 HydrophobicContact CE2-CE1 4.35Å; F67-Y333 AromaticContact CE2-CE2 3.57Å; F67-Y333 HydrophobicContact CE2-CE2 3.57Å; F67-Y333 HydrophobicContact CE2-CG 4.36Å; F67-Y333 AromaticContact CE2-CZ 3.85Å; V104-Y333 HydrophobicContact CG2-CE1 4.15Å; F277-Y333 HydrophobicContact CE1-CE1 4.13Å; F277-Y333 HydrophobicContact CZ-CD1 4.36Å; F277-Y333 HydrophobicContact CZ-CE1 4.37Å; V281-Y333 HydrophobicContact CG1-CD1 3.84Å; V281-Y333 HydrophobicContact CG1-CE1 4.24Å; V281-Y333 HydrophobicContact CG2-CD1 4.25Å; I287-Y333 HydrophobicContact CD1-CD1 4.46Å; I287-Y333 HydrophobicContact CD1-CG 4.08Å; I287-Y333 PolarHBondContact N-O 2.92Å; V329-Y333 HydrophobicContact CG1-CE2 4.46Å; V329-Y333 WeakPolarHBondContact O-CD2 3.2Å; V329-Y333 WeakPolarHBondContact O-CE2 3.08Å; V330-Y333 PolarHBondContact O-N 2.63Å
334D87Confident91.4Very high9 Ų925.5 Ų25.55%0.04813%0.131CC..  trans-109129.2171.3-167.9-56.2000108.9D336 K337 F339D334-D336 PolarHBondContact OD1-N 2.71Å; D334-D336 VanDerWaalsContact OD1-N 3.09Å; D334-K337 PolarHBondContact OD1-N 2.91Å; D334-F339 HydrophobicContact CB-CE1 3.66Å; D334-F339 HydrophobicContact CB-CZ 4.08Å; D334-F339 WeakPolarHBondContact OD2-CE1 3.33Å
335T83.3Confident91.6Very high107 Ų10722 Ų2266%0.65612%0.117SC*.SBendtrans-79.3-39.1-172.5-54.60000112.8Q286Q286-T335 PolarHBondContact NE2-OG1 3.36Å
336D86.9Confident91.9Very high88 Ų8821.3 Ų21.347%0.47111%0.112SC..SBendtrans-93.3-18-177.765.324.7000112.4D334 L338 Q371D334-D336 PolarHBondContact OD1-N 2.71Å; D334-D336 VanDerWaalsContact OD1-N 3.09Å; D336-L338 HydrophobicContact CB-CD1 4.3Å; D336-L338 HydrophobicContact CB-CG 4.26Å; D336-L338 PolarHBondContact O-N 3.47Å; D336-L338 WeakPolarHBondContact OD1-CB 3.35Å; D336-L338 PolarHBondContact OD1-N 2.56Å; D336-Q371 PolarHBondContact O-NE2 3.02Å
337K91.7Very high92.3Very high50 Ų5024.5 Ų24.522%0.21713%0.126CC..  trans5533.3-177.3-57.1173.4178.7-78.80111.1Q331 D332 D334 F339 Q371 G372Q331-K337 PolarHBondContact O-NZ 2.81Å; D332-K337 IonicContact OD1-NZ 3.99Å; D332-K337 PolarHBondContact OD1-NZ 2.78Å; D334-K337 PolarHBondContact OD1-N 2.91Å; K337-F339 HydrophobicContact CB-CE2 4.26Å; K337-F339 HydrophobicContact CB-CZ 4.08Å; K337-Q371 PolarHBondContact O-NE2 2.91Å; K337-G372 PolarHBondContact O-N 2.87Å
338L94.1Very high92.5Very high62 Ų6225.3 Ų25.333%0.32513%0.13SC..EExtended strand (participates in β ladder)trans-98.6109.5173.5-68.1175.6000108.4D336 Y369D336-L338 HydrophobicContact CB-CD1 4.3Å; D336-L338 HydrophobicContact CB-CG 4.26Å; D336-L338 PolarHBondContact O-N 3.47Å; D336-L338 WeakPolarHBondContact OD1-CB 3.35Å; D336-L338 PolarHBondContact OD1-N 2.56Å; L338-Y369 HydrophobicContact CB-CD1 3.78Å; L338-Y369 HydrophobicContact CB-CG 4.39Å; L338-Y369 WeakPolarHBondContact O-CD1 3.33Å
339F95.8Very high92.7Very high0 Ų025 Ų250%013%0.133CC..EExtended strand (participates in β ladder)trans-110.6119.4-172.6-56.8-49.3000111.3F289 Q331 D334 K337 A341 C370 I373 I376F289-F339 HydrophobicContact CB-CD1 3.7Å; F289-F339 HydrophobicContact CB-CE1 3.8Å; F289-F339 HydrophobicContact CD1-CD1 4.18Å; F289-F339 HydrophobicContact CD1-CE1 4.48Å; F289-F339 HydrophobicContact CD1-CG 4.24Å; F289-F339 HydrophobicContact CG-CD1 4.46Å; F289-F339 WeakPolarHBondContact O-CD1 3.24Å; Q331-F339 HydrophobicContact CB-CE2 3.84Å; Q331-F339 HydrophobicContact CB-CZ 3.57Å; D334-F339 HydrophobicContact CB-CE1 3.66Å; D334-F339 HydrophobicContact CB-CZ 4.08Å; D334-F339 WeakPolarHBondContact OD2-CE1 3.33Å; K337-F339 HydrophobicContact CB-CE2 4.26Å; K337-F339 HydrophobicContact CB-CZ 4.08Å; F339-A341 PolarHBondContact O-N 2.96Å; F339-C370 PolarHBondContact N-O 3.4Å; F339-C370 PolarHBondContact O-N 3.5Å; F339-I373 HydrophobicContact CD2-CD1 4.06Å; F339-I373 HydrophobicContact CE2-CD1 4.03Å; F339-I376 HydrophobicContact CB-CD1 3.77Å; F339-I376 HydrophobicContact CB-CG1 4.34Å; F339-I376 HydrophobicContact CD2-CD1 4.18Å; F339-I376 HydrophobicContact CG-CD1 4.36Å
340P96.9Very high92.7Very high11 Ų1130.5 Ų30.57%0.07117%0.17CC..EExtended strand (participates in β ladder)trans-59.9128.6166.7-20.732.4000110.1F289 T290 V291 F342 P368 Y369F289-P340 WeakPolarHBondContact O-CD 3.49Å; T290-P340 WeakPolarHBondContact CA-O 3.46Å; T290-P340 HydrophobicContact CG2-CB 4.15Å; V291-P340 PolarHBondContact N-O 3.44Å; P340-F342 HydrophobicContact CB-CD2 4.44Å; P340-F342 HydrophobicContact CB-CE2 3.57Å; P340-F342 HydrophobicContact CB-CZ 4.07Å; P340-P368 HydrophobicContact CB-CG 4.36Å; P340-Y369 HydrophobicContact CG-CD1 3.77Å; P340-Y369 HydrophobicContact CG-CE1 3.45Å; P340-Y369 VanDerWaalsContact CG-CE1 3.45Å; P340-Y369 HydrophobicContact CG-CG 4.46Å
341A97.8Very high92.6Very high0 Ų034.5 Ų34.50%019%0.191CC..EExtended strand (participates in β ladder)trans-129.2126.1177.400000110.8V291 F339 L361 P368 I376V291-A341 WeakPolarHBondContact O-CA 3.35Å; F339-A341 PolarHBondContact O-N 2.96Å; A341-L361 HydrophobicContact CB-CB 4.37Å; A341-L361 HydrophobicContact CB-CD1 3.68Å; A341-L361 HydrophobicContact CB-CG 4.02Å; A341-L361 PolarHBondContact O-N 2.64Å; A341-P368 PolarHBondContact N-O 2.99Å; A341-I376 HydrophobicContact CB-CG1 4.15Å; A341-I376 HydrophobicContact CB-CG2 3.88Å
342F98.5Very high92.7Very high11 Ų1135.9 Ų35.95%0.04820%0.197CC..EExtended strand (participates in β ladder)trans-124.2150.3-176-57.7-81.5000111.5T290 V291 G292 I293 P340 E358 F359 L361 P368 I398 H401T290-F342 HydrophobicContact CG2-CD2 3.89Å; T290-F342 HydrophobicContact CG2-CE2 3.9Å; V291-F342 PolarHBondContact O-N 3.33Å; G292-F342 CarbonylContact C-O 3.46Å; G292-F342 WeakPolarHBondContact CA-O 3.43Å; I293-F342 PolarHBondContact N-O 3.03Å; P340-F342 HydrophobicContact CB-CD2 4.44Å; P340-F342 HydrophobicContact CB-CE2 3.57Å; P340-F342 HydrophobicContact CB-CZ 4.07Å; F342-E358 HydrophobicContact CB-CG 4.33Å; F342-E358 HydrophobicContact CD1-CG 3.99Å; F342-E358 HydrophobicContact CG-CG 4.3Å; F342-F359 CarbonylContact C-O 3.52Å; F342-F359 WeakPolarHBondContact CA-O 3.5Å; F342-L361 VanDerWaalsContact C-CD2 3.49Å; F342-P368 HydrophobicContact CE1-CB 3.7Å; F342-P368 HydrophobicContact CE1-CG 4.05Å; F342-P368 HydrophobicContact CZ-CB 3.75Å; F342-P368 HydrophobicContact CZ-CG 3.72Å; F342-I398 HydrophobicContact CB-CD1 3.99Å; F342-I398 HydrophobicContact CD2-CD1 4.4Å; F342-H401 AromaticContact CE1-CE1 3.95Å; F342-H401 AromaticContact CZ-CE1 3.53Å; F342-H401 AromaticContact CZ-ND1 3.89Å
343G97.6Very high92.5Very high0 Ų042.3 Ų42.30%023%0.226CC..EExtended strand (participates in β ladder)trans-111157.1166.500000110.9I293 E358 F359 L361I293-G343 CarbonylContact O-C 3.58Å; I293-G343 WeakPolarHBondContact O-CA 3.44Å; G343-E358 CarbonylContact O-C 3.47Å; G343-E358 VanDerWaalsContact O-CA 3.24Å; G343-E358 WeakPolarHBondContact O-CA 3.1Å; G343-F359 PolarHBondContact N-O 3.35Å; G343-F359 WeakPolarHBondContact O-CD1 3.34Å; G343-F359 WeakPolarHBondContact O-CE1 3.48Å; G343-F359 PolarHBondContact O-N 3.07Å; G343-L361 VanDerWaalsContact N-CD2 3.31Å
344F97Very high92.5Very high1 Ų144.9 Ų44.90%0.00425%0.249CC..EExtended strand (participates in β ladder)trans-142.6154.6172.959.3-92.8000111.7I293 D294 F295 H357 T393 F395 I423I293-F344 WeakPolarHBondContact O-CD1 3.41Å; I293-F344 PolarHBondContact O-N 2.95Å; D294-F344 VanDerWaalsContact CA-CZ 3.5Å; D294-F344 HydrophobicContact CB-CD2 4.44Å; D294-F344 HydrophobicContact CB-CE1 4.31Å; D294-F344 HydrophobicContact CB-CE2 3.57Å; D294-F344 HydrophobicContact CB-CZ 3.5Å; F295-F344 PolarHBondContact N-O 3.21Å; F344-H357 WeakPolarHBondContact CB-O 3.43Å; F344-T393 HydrophobicContact CE2-CG2 4.1Å; F344-F395 AromaticContact CE2-CD1 3.91Å; F344-F395 HydrophobicContact CE2-CD1 3.91Å; F344-F395 AromaticContact CE2-CE1 3.66Å; F344-F395 HydrophobicContact CE2-CE1 3.66Å; F344-F395 AromaticContact CZ-CD1 3.86Å; F344-F395 HydrophobicContact CZ-CD1 3.86Å; F344-F395 AromaticContact CZ-CE1 3.55Å; F344-F395 HydrophobicContact CZ-CE1 3.55Å; F344-I423 HydrophobicContact CE1-CG2 4.07Å; F344-I423 HydrophobicContact CZ-CG2 3.94Å
345G95.6Very high92.7Very high0 Ų045.5 Ų45.50%026%0.256CS..SBendtrans85.918175.600000115.4F295 H356 S390F295-G345 VanDerWaalsContact O-O 3.13Å; G345-H356 PolarHBondContact N-O 3.45Å; G345-S390 CarbonylContact O-C 3.6Å; G345-S390 WeakPolarHBondContact O-CA 3.43Å; G345-S390 WeakPolarHBondContact O-CB 3.47Å; G345-S390 PolarHBondContact O-N 3.36Å
346A96.3Very high93Very high0 Ų043.9 Ų43.90%024%0.241CC..EExtended strand (participates in β ladder)trans-123.4154.5-178.800000113.2F295 H356 F359 I387 K388F295-A346 HydrophobicContact CB-CB 3.83Å; A346-H356 PolarHBondContact N-O 2.61Å; A346-H356 PolarHBondContact O-N 3.37Å; A346-F359 HydrophobicContact CB-CE1 3.86Å; A346-F359 HydrophobicContact CB-CZ 4.09Å; A346-I387 HydrophobicContact CB-CB 4.18Å; A346-I387 HydrophobicContact CB-CD1 3.88Å; A346-I387 HydrophobicContact CB-CG1 4.37Å; A346-K388 CarbonylContact C-O 3.57Å; A346-K388 WeakPolarHBondContact CA-O 3.29Å
347K96.7Very high93.2Very high67 Ų6742.2 Ų42.229%0.29123%0.23SC..EExtended strand (participates in β ladder)trans-91.2131.3169.4-66.1170.4171.5-143.40109.1F352 Q353 K388 S390K347-F352 HydrophobicContact CB-CB 4.29Å; K347-F352 HydrophobicContact CB-CD1 4.21Å; K347-F352 WeakPolarHBondContact CD-O 3.41Å; K347-Q353 PolarHBondContact NZ-O 3.49Å; K347-K388 HydrophobicContact CB-CB 4.23Å; K347-K388 PolarHBondContact N-O 3.42Å; K347-K388 PolarHBondContact O-N 2.89Å; K347-S390 WeakPolarHBondContact CE-OG 3.33Å
348L94.6Very high93.4Very high17 Ų1742.5 Ų42.59%0.08923%0.232CC..PPolyproline II helixtrans-101.5155.1-173.5-55.4-177.3000111.9F352 H356 F359 F363 I387L348-F352 WeakPolarHBondContact O-CA 3.28Å; L348-F352 WeakPolarHBondContact O-CD1 3.49Å; L348-F352 PolarHBondContact O-N 3.48Å; L348-H356 HydrophobicContact CD1-CB 4.12Å; L348-H356 HydrophobicContact CG-CB 4.29Å; L348-F359 HydrophobicContact CD1-CB 3.56Å; L348-F359 HydrophobicContact CD1-CD1 4.21Å; L348-F359 HydrophobicContact CD1-CD2 4.35Å; L348-F359 HydrophobicContact CD1-CG 3.8Å; L348-F359 HydrophobicContact CD2-CD1 3.92Å; L348-F359 HydrophobicContact CD2-CD2 3.9Å; L348-F359 HydrophobicContact CD2-CE1 4.02Å; L348-F359 HydrophobicContact CD2-CE2 4.01Å; L348-F359 HydrophobicContact CD2-CG 3.86Å; L348-F359 HydrophobicContact CD2-CZ 4.06Å; L348-F359 HydrophobicContact CG-CD1 4.46Å; L348-F359 HydrophobicContact CG-CG 4.39Å; L348-F363 HydrophobicContact CD2-CE1 4.22Å; L348-I387 HydrophobicContact CD2-CB 4.32Å; L348-I387 HydrophobicContact CD2-CG2 3.46Å; L348-I387 VanDerWaalsContact CD2-CG2 3.46Å
349P91.7Very high93.5Very high51 Ų5140.2 Ų40.233%0.33122%0.219SC..THydrogen-bonded Turntrans-67.9158.2167.928.3-33.4000111.6F352 F363P349-F352 HydrophobicContact CB-CE1 4.28Å; P349-F352 HydrophobicContact CB-CE2 4.01Å; P349-F352 HydrophobicContact CB-CZ 3.65Å; P349-F352 HydrophobicContact CG-CZ 4.44Å; P349-F363 HydrophobicContact CG-CZ 4.38Å
350P89.4Confident93.6Very high123 Ų12340.6 Ų40.680%0.79922%0.222SC*.THydrogen-bonded Turncis-87.9-14.7-1.634.5-34.9000114F352P350-F352 WeakPolarHBondContact O-CD2 3.41Å
351D86.1Confident93.6Very high85 Ų8540.1 Ų40.146%0.45522%0.219SC..THydrogen-bonded Turntrans-91.7-28.9-163.370-27000113.5Q353D351-Q353 HydrophobicContact CB-CG 3.95Å; D351-Q353 WeakPolarHBondContact O-CG 3.49Å; D351-Q353 PolarHBondContact O-N 2.87Å; D351-Q353 PolarHBondContact O-NE2 2.83Å
352F91.3Very high93.5Very high53 Ų5342.7 Ų42.723%0.23223%0.233CC..  trans49.329.5178.9-57.9-82.8000114K347 L348 P349 P350 K388K347-F352 HydrophobicContact CB-CB 4.29Å; K347-F352 HydrophobicContact CB-CD1 4.21Å; K347-F352 WeakPolarHBondContact CD-O 3.41Å; L348-F352 WeakPolarHBondContact O-CA 3.28Å; L348-F352 WeakPolarHBondContact O-CD1 3.49Å; L348-F352 PolarHBondContact O-N 3.48Å; P349-F352 HydrophobicContact CB-CE1 4.28Å; P349-F352 HydrophobicContact CB-CE2 4.01Å; P349-F352 HydrophobicContact CB-CZ 3.65Å; P349-F352 HydrophobicContact CG-CZ 4.44Å; P350-F352 WeakPolarHBondContact O-CD2 3.41Å; F352-K388 HydrophobicContact CB-CD 4.22Å; F352-K388 HydrophobicContact CD1-CB 4.3Å; F352-K388 HydrophobicContact CD1-CD 3.61Å; F352-K388 HydrophobicContact CD1-CG 3.75Å; F352-K388 HydrophobicContact CE1-CD 4.13Å; F352-K388 HydrophobicContact CE1-CG 3.9Å; F352-K388 HydrophobicContact CG-CD 3.99Å
353Q85.3Confident93.3Very high145 Ų14545.8 Ų45.868%0.67825%0.247SC*.  trans-78.4-62.1-171.4-66.3-61.7-42.200110.9K347 D351K347-Q353 PolarHBondContact NZ-O 3.49Å; D351-Q353 HydrophobicContact CB-CG 3.95Å; D351-Q353 WeakPolarHBondContact O-CG 3.49Å; D351-Q353 PolarHBondContact O-N 2.87Å; D351-Q353 PolarHBondContact O-NE2 2.83Å
354A89Confident93.1Very high62 Ų6249 Ų4951%0.51226%0.264SS..SBendtrans-109.8152.7-177.500000111.7
355A90.2Very high92.8Very high23 Ų2354.2 Ų54.219%0.1930%0.298CS..EExtended strand (participates in β ladder)trans-72.1134.4170.500000109.4G391A355-G391 WeakPolarHBondContact CB-O 3.33Å
356H91.4Very high92.8Very high73 Ų7359.8 Ų59.834%0.33834%0.337SS..EExtended strand (participates in β ladder)trans-90.2130.3169.9-69.7-104000108.6G345 A346 L348 E358 F359G345-H356 PolarHBondContact N-O 3.45Å; A346-H356 PolarHBondContact N-O 2.61Å; A346-H356 PolarHBondContact O-N 3.37Å; L348-H356 HydrophobicContact CD1-CB 4.12Å; L348-H356 HydrophobicContact CG-CB 4.29Å; H356-E358 VanDerWaalsContact C-N 3.32Å; H356-F359 HydrophobicContact CB-CD1 4.09Å
357H90.7Very high92.7Very high53 Ų5363.6 Ų63.625%0.24536%0.357CS..SBendtrans-95.26.6176.3-59-66.6000112.9F344 P392 N394 P397F344-H357 WeakPolarHBondContact CB-O 3.43Å; H357-P392 VanDerWaalsContact CE1-CD 3.5Å; H357-P392 WeakPolarHBondContact CE1-CD 3.44Å; H357-P392 PolarHBondContact CE1-O 2.8Å; H357-P392 PolarHBondContact ND1-O 3.44Å; H357-N394 HydrophobicContact CB-CB 4.46Å; H357-P397 HydrophobicContact CB-CB 4.35Å; H357-P397 HydrophobicContact CB-CG 3.83Å
358E95Very high92.6Very high55 Ų5561.1 Ų61.126%0.25735%0.348SS..  trans-168132.1170-176.8167.4-153.600109.2F342 G343 H356 H401F342-E358 HydrophobicContact CB-CG 4.33Å; F342-E358 HydrophobicContact CD1-CG 3.99Å; F342-E358 HydrophobicContact CG-CG 4.3Å; G343-E358 CarbonylContact O-C 3.47Å; G343-E358 VanDerWaalsContact O-CA 3.24Å; G343-E358 WeakPolarHBondContact O-CA 3.1Å; H356-E358 VanDerWaalsContact C-N 3.32Å; E358-H401 IonicContact OE1-CE1 3.25Å; E358-H401 IonicContact OE1-CG 3.79Å; E358-H401 IonicContact OE1-ND1 3.19Å; E358-H401 PolarHBondContact OE1-ND1 3.15Å; E358-H401 IonicContact OE2-CG 3.38Å; E358-H401 IonicContact OE2-ND1 3.76Å
359F96.4Very high92.7Very high15 Ų1565.4 Ų65.47%0.06636%0.363CS..EExtended strand (participates in β ladder)trans-155.4146.217261-89.2000111.4F295 F342 G343 A346 L348 H356 L361 V383 I387F295-F359 HydrophobicContact CD2-CE1 4.5Å; F295-F359 AromaticContact CD2-CZ 3.78Å; F295-F359 HydrophobicContact CD2-CZ 3.78Å; F295-F359 HydrophobicContact CE2-CZ 4.18Å; F295-F359 HydrophobicContact CG-CZ 4.35Å; F342-F359 CarbonylContact C-O 3.52Å; F342-F359 WeakPolarHBondContact CA-O 3.5Å; G343-F359 PolarHBondContact N-O 3.35Å; G343-F359 WeakPolarHBondContact O-CD1 3.34Å; G343-F359 WeakPolarHBondContact O-CE1 3.48Å; G343-F359 PolarHBondContact O-N 3.07Å; A346-F359 HydrophobicContact CB-CE1 3.86Å; A346-F359 HydrophobicContact CB-CZ 4.09Å; L348-F359 HydrophobicContact CD1-CB 3.56Å; L348-F359 HydrophobicContact CD1-CD1 4.21Å; L348-F359 HydrophobicContact CD1-CD2 4.35Å; L348-F359 HydrophobicContact CD1-CG 3.8Å; L348-F359 HydrophobicContact CD2-CD1 3.92Å; L348-F359 HydrophobicContact CD2-CD2 3.9Å; L348-F359 HydrophobicContact CD2-CE1 4.02Å; L348-F359 HydrophobicContact CD2-CE2 4.01Å; L348-F359 HydrophobicContact CD2-CG 3.86Å; L348-F359 HydrophobicContact CD2-CZ 4.06Å; L348-F359 HydrophobicContact CG-CD1 4.46Å; L348-F359 HydrophobicContact CG-CG 4.39Å; H356-F359 HydrophobicContact CB-CD1 4.09Å; F359-L361 HydrophobicContact CE2-CD2 4.18Å; F359-L361 PolarHBondContact O-N 3.5Å; F359-V383 HydrophobicContact CE2-CG2 3.87Å; F359-I387 HydrophobicContact CZ-CD1 4.07Å
360A97.4Very high92.9Very high7 Ų763.4 Ų63.46%0.05835%0.35CS..EExtended strand (participates in β ladder)trans-66.9128.5177.200000110.9N362 F363 P368A360-N362 WeakPolarHBondContact CB-OD1 3.34Å; A360-N362 PolarHBondContact O-N 3.28Å; A360-F363 PolarHBondContact O-N 2.71Å; A360-P368 HydrophobicContact CB-CB 3.82Å
361L97.3Very high93.2Very high2 Ų263.3 Ų63.31%0.0134%0.34CS..THydrogen-bonded Turntrans-62.2-27.5-178.6-63.4-172000112.7I293 F295 A341 F342 G343 F359 F363 I376 A379 V383I293-L361 HydrophobicContact CD1-CD1 3.8Å; I293-L361 HydrophobicContact CG1-CD1 4.41Å; F295-L361 HydrophobicContact CE2-CD2 3.57Å; F295-L361 HydrophobicContact CZ-CD2 4.05Å; A341-L361 HydrophobicContact CB-CB 4.37Å; A341-L361 HydrophobicContact CB-CD1 3.68Å; A341-L361 HydrophobicContact CB-CG 4.02Å; A341-L361 PolarHBondContact O-N 2.64Å; F342-L361 VanDerWaalsContact C-CD2 3.49Å; G343-L361 VanDerWaalsContact N-CD2 3.31Å; F359-L361 HydrophobicContact CE2-CD2 4.18Å; F359-L361 PolarHBondContact O-N 3.5Å; L361-F363 VanDerWaalsContact C-N 3.27Å; L361-F363 PolarHBondContact O-N 2.82Å; L361-I376 HydrophobicContact CD1-CG2 4.24Å; L361-A379 HydrophobicContact CB-CB 3.86Å; L361-V383 HydrophobicContact CD2-CG1 4.15Å; L361-V383 WeakPolarHBondContact O-CB 3.26Å
362N95.4Very high93.6Very high53 Ų5359.8 Ų59.828%0.28332%0.323SS..THydrogen-bonded Turntrans-86.77.5177.868.71.3000113.5A360 N364 N367A360-N362 WeakPolarHBondContact CB-OD1 3.34Å; A360-N362 PolarHBondContact O-N 3.28Å; N362-N364 PolarHBondContact O-N 2.99Å; N362-N364 VanDerWaalsContact O-N 3.07Å; N362-N364 WeakPolarHBondContact OD1-CB 3.37Å; N362-N364 PolarHBondContact OD1-N 3.39Å; N362-N364 PolarHBondContact OD1-O 3.13Å; N362-N367 PolarHBondContact ND2-O 2.83Å
363F94.3Very high93.8Very high77 Ų7757.3 Ų57.334%0.33831%0.312SS..SBendtrans54.818.3-173.5-68.4-54.6000115.4L348 P349 A360 L361 P365 V383 Q386 I387L348-F363 HydrophobicContact CD2-CE1 4.22Å; P349-F363 HydrophobicContact CG-CZ 4.38Å; A360-F363 PolarHBondContact O-N 2.71Å; L361-F363 VanDerWaalsContact C-N 3.27Å; L361-F363 PolarHBondContact O-N 2.82Å; F363-P365 VanDerWaalsContact O-CD 3.3Å; F363-P365 WeakPolarHBondContact O-CD 3.36Å; F363-V383 HydrophobicContact CD2-CG2 4.38Å; F363-V383 HydrophobicContact CE1-CG2 3.84Å; F363-V383 HydrophobicContact CE2-CB 4.42Å; F363-V383 HydrophobicContact CE2-CG2 3.7Å; F363-V383 HydrophobicContact CZ-CG2 3.4Å; F363-V383 VanDerWaalsContact CZ-CG2 3.4Å; F363-Q386 HydrophobicContact CE2-CB 3.99Å; F363-Q386 HydrophobicContact CE2-CG 4.41Å; F363-Q386 HydrophobicContact CZ-CB 4.08Å; F363-I387 HydrophobicContact CE1-CG2 4.33Å; F363-I387 HydrophobicContact CZ-CG2 3.93Å
364N94.6Very high94.3Very high68 Ų6854.5 Ų54.536%0.36430%0.299SS..  trans-112.687.6174.8-170.8-11.9000109.9N362 S366 N367N362-N364 PolarHBondContact O-N 2.99Å; N362-N364 VanDerWaalsContact O-N 3.07Å; N362-N364 WeakPolarHBondContact OD1-CB 3.37Å; N362-N364 PolarHBondContact OD1-N 3.39Å; N362-N364 PolarHBondContact OD1-O 3.13Å; N364-S366 PolarHBondContact O-N 3.24Å; N364-S366 PolarHBondContact OD1-N 3.27Å; N364-N367 CarbonylContact O-C 3.58Å; N364-N367 PolarHBondContact O-N 3.08Å; N364-N367 PolarHBondContact OD1-N 3.12Å
365P90.8Very high94.6Very high110 Ų11052.4 Ų52.471%0.71428%0.283SS*.THydrogen-bonded Turntrans-63.9-23.8-178.426.4-34.7000113.1F363 N367F363-P365 VanDerWaalsContact O-CD 3.3Å; F363-P365 WeakPolarHBondContact O-CD 3.36Å; P365-N367 VanDerWaalsContact C-N 3.32Å
366S94.1Very high94.9Very high117 Ų11751.3 Ų51.382%0.81827%0.274SS*.THydrogen-bonded Turntrans-77.5-18.4176-54.20000113.1N364N364-S366 PolarHBondContact O-N 3.24Å; N364-S366 PolarHBondContact OD1-N 3.27Å
367N94.3Very high95.1Very high79 Ų7947.9 Ų47.942%0.42226%0.259SS..  trans-149.980.4178.7-178.115.5000110N362 N364 P365 Y369N362-N367 PolarHBondContact ND2-O 2.83Å; N364-N367 CarbonylContact O-C 3.58Å; N364-N367 PolarHBondContact O-N 3.08Å; N364-N367 PolarHBondContact OD1-N 3.12Å; P365-N367 VanDerWaalsContact C-N 3.32Å; N367-Y369 PolarHBondContact O-N 3.34Å; N367-Y369 WeakPolarHBondContact OD1-CB 3.42Å; N367-Y369 VanDerWaalsContact OD1-CD2 3.25Å; N367-Y369 WeakPolarHBondContact OD1-CD2 3.29Å
368P95.8Very high95.4Very high16 Ų1649.3 Ų49.310%0.10427%0.268CS..  trans-77.46.1-176.632.6-37.1000113.8P340 A341 F342 A360P340-P368 HydrophobicContact CB-CG 4.36Å; A341-P368 PolarHBondContact N-O 2.99Å; F342-P368 HydrophobicContact CE1-CB 3.7Å; F342-P368 HydrophobicContact CE1-CG 4.05Å; F342-P368 HydrophobicContact CZ-CB 3.75Å; F342-P368 HydrophobicContact CZ-CG 3.72Å; A360-P368 HydrophobicContact CB-CB 3.82Å
369Y96.5Very high95.5Very high106 Ų10647.4 Ų47.442%0.41626%0.262SS..EExtended strand (participates in β ladder)trans-78.4133.8-172-67.4-94.8000112.4L338 P340 N367L338-Y369 HydrophobicContact CB-CD1 3.78Å; L338-Y369 HydrophobicContact CB-CG 4.39Å; L338-Y369 WeakPolarHBondContact O-CD1 3.33Å; P340-Y369 HydrophobicContact CG-CD1 3.77Å; P340-Y369 HydrophobicContact CG-CE1 3.45Å; P340-Y369 VanDerWaalsContact CG-CE1 3.45Å; P340-Y369 HydrophobicContact CG-CG 4.46Å; N367-Y369 PolarHBondContact O-N 3.34Å; N367-Y369 WeakPolarHBondContact OD1-CB 3.42Å; N367-Y369 VanDerWaalsContact OD1-CD2 3.25Å; N367-Y369 WeakPolarHBondContact OD1-CD2 3.29Å
370C96.4Very high95.6Very high9 Ų946.7 Ų46.76%0.06126%0.259CS..EExtended strand (participates in β ladder)trans-112.8138.6175.3-64.10000110F339 G372 I376F339-C370 PolarHBondContact N-O 3.4Å; F339-C370 PolarHBondContact O-N 3.5Å; C370-G372 PolarHBondContact O-N 2.76Å; C370-I376 HydrophobicContact CB-CG1 3.74Å
371Q95.3Very high95.5Very high122 Ų12252 Ų5257%0.5728%0.277SS*.EExtended strand (participates in β ladder)trans-76.7105.7178-173.869.562.100111D336 K337 G375D336-Q371 PolarHBondContact O-NE2 3.02Å; K337-Q371 PolarHBondContact O-NE2 2.91Å; Q371-G375 WeakPolarHBondContact O-CA 3.4Å; Q371-G375 PolarHBondContact O-N 2.84Å
372G94.8Very high95.4Very high10 Ų1053.6 Ų53.610%0.10329%0.294CS..Hα-helixtrans64.3-178.9179.800000113.4K337 C370 Q374 G375 I376K337-G372 PolarHBondContact O-N 2.87Å; C370-G372 PolarHBondContact O-N 2.76Å; G372-Q374 VanDerWaalsContact C-N 3.27Å; G372-Q374 PolarHBondContact O-N 2.84Å; G372-G375 PolarHBondContact O-N 2.84Å; G372-I376 PolarHBondContact O-N 3.17Å
373I94.6Very high95.4Very high2 Ų251.1 Ų51.11%0.0128%0.28CS..Hα-helixtrans-63.9-35.6177.3-58-53.1000111.6F289 L323 W324 G327 Q331 F339 G375 I376 V377F289-I373 HydrophobicContact CD1-CD1 4.37Å; F289-I373 HydrophobicContact CE1-CD1 4.05Å; L323-I373 HydrophobicContact CG-CG2 4.12Å; W324-I373 HydrophobicContact CD2-CG2 4.2Å; W324-I373 HydrophobicContact CE3-CG2 4.45Å; G327-I373 VanDerWaalsContact C-CG1 3.5Å; G327-I373 VanDerWaalsContact CA-CD1 3.41Å; G327-I373 WeakPolarHBondContact O-CG1 3.11Å; Q331-I373 VanDerWaalsContact NE2-CG1 3.33Å; F339-I373 HydrophobicContact CD2-CD1 4.06Å; F339-I373 HydrophobicContact CE2-CD1 4.03Å; I373-G375 VanDerWaalsContact C-N 3.29Å; I373-G375 PolarHBondContact O-N 2.84Å; I373-I376 HydrophobicContact CD1-CD1 4.1Å; I373-I376 PolarHBondContact O-N 2.89Å; I373-I376 VanDerWaalsContact O-N 3.15Å; I373-V377 HydrophobicContact CG2-CG2 4.4Å; I373-V377 VanDerWaalsContact O-CG2 3.27Å; I373-V377 WeakPolarHBondContact O-CG2 3.36Å; I373-V377 PolarHBondContact O-N 2.91Å
374Q94.9Very high95.5Very high85 Ų8548 Ų4840%0.39727%0.267SS..Hα-helixtrans-58.7-41.7175.1-173.559.254.600111.7G372 I376 V377 D378G372-Q374 VanDerWaalsContact C-N 3.27Å; G372-Q374 PolarHBondContact O-N 2.84Å; Q374-I376 VanDerWaalsContact C-N 3.33Å; Q374-I376 PolarHBondContact O-N 2.8Å; Q374-V377 WeakPolarHBondContact O-CB 3.38Å; Q374-V377 PolarHBondContact O-N 2.89Å; Q374-D378 PolarHBondContact NE2-OD1 2.94Å; Q374-D378 VanDerWaalsContact O-CG 3.23Å; Q374-D378 PolarHBondContact O-N 2.95Å
375G96.6Very high95.6Very high18 Ų1849.8 Ų49.819%0.18628%0.282CS..Hα-helixtrans-61.9-38.7176.100000113.1Q371 G372 I373 D378 A379Q371-G375 WeakPolarHBondContact O-CA 3.4Å; Q371-G375 PolarHBondContact O-N 2.84Å; G372-G375 PolarHBondContact O-N 2.84Å; I373-G375 VanDerWaalsContact C-N 3.29Å; I373-G375 PolarHBondContact O-N 2.84Å; G375-D378 PolarHBondContact O-N 3.42Å; G375-A379 WeakPolarHBondContact O-CB 3.13Å; G375-A379 PolarHBondContact O-N 3.09Å
376I97.1Very high95.8Very high0 Ų049.1 Ų49.10%027%0.27CS..Hα-helixtrans-65.1-42.2175.5-55.4176.7000110.3V291 L323 F339 A341 L361 C370 G372 I373 Q374 D378 A379 Y380V291-I376 HydrophobicContact CB-CD1 4.46Å; V291-I376 HydrophobicContact CG2-CD1 3.75Å; L323-I376 HydrophobicContact CD1-CD1 4.33Å; L323-I376 HydrophobicContact CD1-CG2 4.31Å; L323-I376 HydrophobicContact CD2-CB 4.12Å; L323-I376 HydrophobicContact CD2-CG2 3.61Å; F339-I376 HydrophobicContact CB-CD1 3.77Å; F339-I376 HydrophobicContact CB-CG1 4.34Å; F339-I376 HydrophobicContact CD2-CD1 4.18Å; F339-I376 HydrophobicContact CG-CD1 4.36Å; A341-I376 HydrophobicContact CB-CG1 4.15Å; A341-I376 HydrophobicContact CB-CG2 3.88Å; L361-I376 HydrophobicContact CD1-CG2 4.24Å; C370-I376 HydrophobicContact CB-CG1 3.74Å; G372-I376 PolarHBondContact O-N 3.17Å; I373-I376 HydrophobicContact CD1-CD1 4.1Å; I373-I376 PolarHBondContact O-N 2.89Å; I373-I376 VanDerWaalsContact O-N 3.15Å; Q374-I376 VanDerWaalsContact C-N 3.33Å; Q374-I376 PolarHBondContact O-N 2.8Å; I376-D378 VanDerWaalsContact C-N 3.33Å; I376-D378 PolarHBondContact O-N 2.81Å; I376-A379 PolarHBondContact O-N 3.36Å; I376-Y380 WeakPolarHBondContact O-CB 3.23Å; I376-Y380 PolarHBondContact O-N 3.11Å
377V95.8Very high95.9Very high1 Ų144.3 Ų44.31%0.00624%0.235CC..Hα-helixtrans-61.3-43.3177.41740000110.9L320 L323 W324 I373 Q374 Y380 R381L320-V377 HydrophobicContact CD2-CB 4.43Å; L320-V377 HydrophobicContact CD2-CG1 4.11Å; L320-V377 HydrophobicContact CD2-CG2 4.09Å; L323-V377 HydrophobicContact CD2-CG2 4.08Å; W324-V377 HydrophobicContact CZ2-CG2 4.35Å; I373-V377 HydrophobicContact CG2-CG2 4.4Å; I373-V377 VanDerWaalsContact O-CG2 3.27Å; I373-V377 WeakPolarHBondContact O-CG2 3.36Å; I373-V377 PolarHBondContact O-N 2.91Å; Q374-V377 WeakPolarHBondContact O-CB 3.38Å; Q374-V377 PolarHBondContact O-N 2.89Å; V377-Y380 PolarHBondContact O-N 2.79Å; V377-R381 WeakPolarHBondContact O-CG 3.45Å; V377-R381 PolarHBondContact O-N 2.94Å
378D96Very high96Very high83 Ų8346 Ų4644%0.44424%0.238SC..Hα-helixtrans-66.8-41.5179-64.7-23.2000111.1Q374 G375 I376 R381 G382Q374-D378 PolarHBondContact NE2-OD1 2.94Å; Q374-D378 VanDerWaalsContact O-CG 3.23Å; Q374-D378 PolarHBondContact O-N 2.95Å; G375-D378 PolarHBondContact O-N 3.42Å; I376-D378 VanDerWaalsContact C-N 3.33Å; I376-D378 PolarHBondContact O-N 2.81Å; D378-R381 PolarHBondContact O-N 3.49Å; D378-G382 PolarHBondContact O-N 3.36Å
379A97.6Very high96Very high15 Ų1547 Ų4712%0.12424%0.243CC..Hα-helixtrans-62.8-45.2173.600000112.1L361 G375 I376 R381 G382 V383L361-A379 HydrophobicContact CB-CB 3.86Å; G375-A379 WeakPolarHBondContact O-CB 3.13Å; G375-A379 PolarHBondContact O-N 3.09Å; I376-A379 PolarHBondContact O-N 3.36Å; A379-R381 VanDerWaalsContact C-N 3.35Å; A379-R381 PolarHBondContact O-N 3.13Å; A379-G382 PolarHBondContact O-N 2.79Å; A379-G382 VanDerWaalsContact O-N 3.16Å; A379-V383 WeakPolarHBondContact O-CB 3.5Å; A379-V383 WeakPolarHBondContact O-CG1 3.35Å; A379-V383 PolarHBondContact O-N 3.28Å
380Y97.3Very high95.9Very high0 Ų043.4 Ų43.40%023%0.233CC..Hα-helixtrans-58.3-44175.2172.4-96.9000112.1I293 F295 H309 M311 N317 L320 I376 V377 G382 L384I293-Y380 HydrophobicContact CD1-CD2 3.73Å; I293-Y380 HydrophobicContact CD1-CE2 4.43Å; I293-Y380 HydrophobicContact CD1-CG 4.44Å; I293-Y380 HydrophobicContact CG2-CD2 4.17Å; I293-Y380 HydrophobicContact CG2-CE2 3.98Å; F295-Y380 HydrophobicContact CE1-CD2 4Å; F295-Y380 AromaticContact CE1-CE2 3.75Å; F295-Y380 HydrophobicContact CE1-CE2 3.75Å; F295-Y380 AromaticContact CZ-CD2 3.57Å; F295-Y380 HydrophobicContact CZ-CD2 3.57Å; F295-Y380 AromaticContact CZ-CE2 3.75Å; F295-Y380 HydrophobicContact CZ-CE2 3.75Å; H309-Y380 AromaticContact ND1-CE2 3.81Å; H309-Y380 AromaticContact ND1-CZ 3.72Å; H309-Y380 PolarHBondContact ND1-OH 3.4Å; M311-Y380 HydrophobicContact CE-CD1 3.38Å; M311-Y380 HydrophobicContact CE-CE1 3.06Å; M311-Y380 HydrophobicContact SD-CE1 4.01Å; N317-Y380 PolarHBondContact ND2-OH 3.06Å; L320-Y380 HydrophobicContact CD1-CD1 4.2Å; L320-Y380 HydrophobicContact CD1-CE1 3.99Å; L320-Y380 HydrophobicContact CD2-CD1 3.53Å; L320-Y380 HydrophobicContact CD2-CE1 3.83Å; L320-Y380 HydrophobicContact CD2-CG 4.2Å; L320-Y380 HydrophobicContact CG-CD1 3.99Å; L320-Y380 HydrophobicContact CG-CE1 3.76Å; I376-Y380 WeakPolarHBondContact O-CB 3.23Å; I376-Y380 PolarHBondContact O-N 3.11Å; V377-Y380 PolarHBondContact O-N 2.79Å; Y380-G382 VanDerWaalsContact C-N 3.35Å; Y380-L384 WeakPolarHBondContact O-CB 3.36Å; Y380-L384 PolarHBondContact O-N 2.94Å
381R95.3Very high95.6Very high120 Ų12044.4 Ų44.445%0.45325%0.245SC..Hα-helixtrans-65.3-37175.2-74.4171.2174.2173.2-2.7112.6M311 V377 D378 A379 P385M311-R381 HydrophobicContact CE-CB 4.31Å; M311-R381 HydrophobicContact CE-CG 3.63Å; M311-R381 HydrophobicContact SD-CG 4.43Å; V377-R381 WeakPolarHBondContact O-CG 3.45Å; V377-R381 PolarHBondContact O-N 2.94Å; D378-R381 PolarHBondContact O-N 3.49Å; A379-R381 VanDerWaalsContact C-N 3.35Å; A379-R381 PolarHBondContact O-N 3.13Å; R381-P385 VanDerWaalsContact O-CD 3.24Å; R381-P385 WeakPolarHBondContact O-CD 3.44Å
382G95.4Very high95.5Very high34 Ų3441.1 Ų41.135%0.35123%0.234SC..Hα-helixtrans-71.2-39.917900000113.2D378 A379 Y380 P385 Q386D378-G382 PolarHBondContact O-N 3.36Å; A379-G382 PolarHBondContact O-N 2.79Å; A379-G382 VanDerWaalsContact O-N 3.16Å; Y380-G382 VanDerWaalsContact C-N 3.35Å; G382-P385 WeakPolarHBondContact O-CD 3.39Å; G382-Q386 PolarHBondContact O-NE2 3.46Å
383V96.3Very high95.4Very high1 Ų141.1 Ų41.11%0.00623%0.232CC..Hα-helixtrans-80.3-38.9-172.5800000113.1F295 F359 L361 F363 A379 Q386 I387F295-V383 HydrophobicContact CE1-CG1 4.22Å; F295-V383 HydrophobicContact CE2-CG1 4.46Å; F295-V383 HydrophobicContact CZ-CG1 3.72Å; F359-V383 HydrophobicContact CE2-CG2 3.87Å; L361-V383 HydrophobicContact CD2-CG1 4.15Å; L361-V383 WeakPolarHBondContact O-CB 3.26Å; F363-V383 HydrophobicContact CD2-CG2 4.38Å; F363-V383 HydrophobicContact CE1-CG2 3.84Å; F363-V383 HydrophobicContact CE2-CB 4.42Å; F363-V383 HydrophobicContact CE2-CG2 3.7Å; F363-V383 HydrophobicContact CZ-CG2 3.4Å; F363-V383 VanDerWaalsContact CZ-CG2 3.4Å; A379-V383 WeakPolarHBondContact O-CB 3.5Å; A379-V383 WeakPolarHBondContact O-CG1 3.35Å; A379-V383 PolarHBondContact O-N 3.28Å; V383-Q386 WeakPolarHBondContact O-CB 3.3Å; V383-Q386 PolarHBondContact O-N 3.37Å; V383-I387 HydrophobicContact CG2-CG2 4.01Å; V383-I387 PolarHBondContact O-N 2.92Å
384L96.6Very high95.4Very high11 Ų1142.1 Ų42.16%0.05824%0.238CC..G310 helixtrans-52.2-45-174.4-178.365.3000114.6F295 P302 H309 M311 Y380 Q386 L389F295-L384 HydrophobicContact CD1-CD1 3.91Å; F295-L384 HydrophobicContact CE1-CB 4.36Å; F295-L384 HydrophobicContact CE1-CD1 3.76Å; P302-L384 HydrophobicContact CB-CD1 4.01Å; P302-L384 HydrophobicContact CB-CD2 4.11Å; P302-L384 HydrophobicContact CB-CG 4.07Å; P302-L384 HydrophobicContact CG-CD1 3.7Å; P302-L384 HydrophobicContact CG-CG 4.24Å; H309-L384 HydrophobicContact CB-CD1 3.9Å; H309-L384 HydrophobicContact CB-CD2 4.04Å; H309-L384 WeakPolarHBondContact O-CD2 3.2Å; M311-L384 HydrophobicContact CE-CD2 3.7Å; M311-L384 HydrophobicContact CG-CD2 4.09Å; Y380-L384 WeakPolarHBondContact O-CB 3.36Å; Y380-L384 PolarHBondContact O-N 2.94Å; L384-Q386 PolarHBondContact O-N 3.48Å; L384-L389 HydrophobicContact CD1-CD2 4.43Å
385P95.3Very high95.5Very high106 Ų10638.1 Ų38.169%0.68822%0.219SC*.G310 helixtrans-74.4-11178.829.2-35.9000114.4R381 G382R381-P385 VanDerWaalsContact O-CD 3.24Å; R381-P385 WeakPolarHBondContact O-CD 3.44Å; G382-P385 WeakPolarHBondContact O-CD 3.39Å
386Q95.6Very high95.5Very high96 Ų9638 Ų3845%0.44922%0.215SC..G310 helixtrans-97.6-17.5-174.4-61.3-174.963.100113.3F363 G382 V383 L384F363-Q386 HydrophobicContact CE2-CB 3.99Å; F363-Q386 HydrophobicContact CE2-CG 4.41Å; F363-Q386 HydrophobicContact CZ-CB 4.08Å; G382-Q386 PolarHBondContact O-NE2 3.46Å; V383-Q386 WeakPolarHBondContact O-CB 3.3Å; V383-Q386 PolarHBondContact O-N 3.37Å; L384-Q386 PolarHBondContact O-N 3.48Å
387I96.3Very high95.6Very high16 Ų1639.8 Ų39.88%0.08223%0.227CC..SBendtrans-103163.7-175.963.6179000111.6F295 A346 L348 F359 F363 V383 L389F295-I387 HydrophobicContact CB-CD1 3.89Å; F295-I387 HydrophobicContact CD1-CD1 3.38Å; F295-I387 HydrophobicContact CD2-CD1 4.28Å; F295-I387 HydrophobicContact CE1-CD1 3.81Å; F295-I387 HydrophobicContact CG-CD1 3.61Å; F295-I387 HydrophobicContact CZ-CD1 4.42Å; A346-I387 HydrophobicContact CB-CB 4.18Å; A346-I387 HydrophobicContact CB-CD1 3.88Å; A346-I387 HydrophobicContact CB-CG1 4.37Å; L348-I387 HydrophobicContact CD2-CB 4.32Å; L348-I387 HydrophobicContact CD2-CG2 3.46Å; L348-I387 VanDerWaalsContact CD2-CG2 3.46Å; F359-I387 HydrophobicContact CZ-CD1 4.07Å; F363-I387 HydrophobicContact CE1-CG2 4.33Å; F363-I387 HydrophobicContact CZ-CG2 3.93Å; V383-I387 HydrophobicContact CG2-CG2 4.01Å; V383-I387 PolarHBondContact O-N 2.92Å; I387-L389 HydrophobicContact CD1-CD2 4.43Å
388K96.4Very high95.6Very high114 Ų11439.8 Ų39.850%0.49623%0.227SC..EExtended strand (participates in β ladder)trans-112119168.2-63175.3-174.1170.10109.2A346 K347 F352 S390A346-K388 CarbonylContact C-O 3.57Å; A346-K388 WeakPolarHBondContact CA-O 3.29Å; K347-K388 HydrophobicContact CB-CB 4.23Å; K347-K388 PolarHBondContact N-O 3.42Å; K347-K388 PolarHBondContact O-N 2.89Å; F352-K388 HydrophobicContact CB-CD 4.22Å; F352-K388 HydrophobicContact CD1-CB 4.3Å; F352-K388 HydrophobicContact CD1-CD 3.61Å; F352-K388 HydrophobicContact CD1-CG 3.75Å; F352-K388 HydrophobicContact CE1-CD 4.13Å; F352-K388 HydrophobicContact CE1-CG 3.9Å; F352-K388 HydrophobicContact CG-CD 3.99Å; K388-S390 PolarHBondContact O-N 2.94Å
389L96.1Very high95.7Very high38 Ų3835.8 Ų35.820%0.19921%0.205CC..EExtended strand (participates in β ladder)trans-57.8136.9175.6-49.8-175000110.2F295 N299 G300 P302 L384 I387F295-L389 HydrophobicContact CB-CD2 3.81Å; F295-L389 HydrophobicContact CD1-CD2 4.01Å; F295-L389 HydrophobicContact CG-CD2 4.42Å; F295-L389 WeakPolarHBondContact O-CA 3.35Å; F295-L389 WeakPolarHBondContact O-CB 3.21Å; F295-L389 VanDerWaalsContact O-CD2 3.23Å; F295-L389 WeakPolarHBondContact O-CD2 3.5Å; N299-L389 HydrophobicContact CB-CD1 4.19Å; G300-L389 WeakPolarHBondContact O-CD1 3.33Å; P302-L389 HydrophobicContact CG-CD1 3.85Å; P302-L389 HydrophobicContact CG-CD2 4.48Å; P302-L389 HydrophobicContact CG-CG 4.23Å; L384-L389 HydrophobicContact CD1-CD2 4.43Å; I387-L389 HydrophobicContact CD1-CD2 4.43Å
390S94.7Very high95.8Very high31 Ų3137.9 Ų37.922%0.21721%0.214CC..BIsolated β-bridgetrans-148-152.6-170.8-168.40000110.5T296 G297 G345 K347 K388T296-S390 CarbonylContact C-O 3.51Å; T296-S390 WeakPolarHBondContact CA-O 3.41Å; T296-S390 VanDerWaalsContact CB-O 3.22Å; T296-S390 WeakPolarHBondContact CB-O 3.37Å; G297-S390 PolarHBondContact N-O 3Å; G345-S390 CarbonylContact O-C 3.6Å; G345-S390 WeakPolarHBondContact O-CA 3.43Å; G345-S390 WeakPolarHBondContact O-CB 3.47Å; G345-S390 PolarHBondContact O-N 3.36Å; K347-S390 WeakPolarHBondContact CE-OG 3.33Å; K388-S390 PolarHBondContact O-N 2.94Å
391G90.5Very high95.8Very high30 Ų3040.8 Ų40.831%0.30923%0.228SC..  trans-163.9-172.8168.200000110.1A355A355-G391 WeakPolarHBondContact CB-O 3.33Å
392P93.1Very high95.9Very high53 Ų5335.1 Ų35.134%0.34421%0.207SC..  cis-74.6171.6-2.228.3-38.7000116H357 N394 T430H357-P392 VanDerWaalsContact CE1-CD 3.5Å; H357-P392 WeakPolarHBondContact CE1-CD 3.44Å; H357-P392 PolarHBondContact CE1-O 2.8Å; H357-P392 PolarHBondContact ND1-O 3.44Å; P392-N394 PolarHBondContact O-N 2.85Å; P392-T430 HydrophobicContact CB-CG2 3.69Å; P392-T430 WeakPolarHBondContact CB-OG1 3.48Å; P392-T430 HydrophobicContact CG-CG2 4.44Å
393T92.9Very high96Very high9 Ų934 Ų346%0.05519%0.194CC..  trans-81.5100.2171.5-43.90000109.8D294 T296 F344 F395 E428 T430D294-T393 WeakPolarHBondContact OD2-CG2 3.41Å; T296-T393 HydrophobicContact CG2-CG2 4.48Å; T296-T393 WeakPolarHBondContact CG2-OG1 3.33Å; F344-T393 HydrophobicContact CE2-CG2 4.1Å; T393-F395 HydrophobicContact CG2-CE1 3.81Å; T393-F395 HydrophobicContact CG2-CZ 4.47Å; T393-E428 WeakPolarHBondContact CB-O 3.25Å; T393-E428 PolarHBondContact OG1-O 3.37Å; T393-T430 PolarHBondContact O-N 3.06Å
394N94.7Very high96Very high24 Ų2437.1 Ų37.113%0.12822%0.216CC..  trans-122.7120.6-175.2-71.2-8.4000111H357 P392 P397 D431H357-N394 HydrophobicContact CB-CB 4.46Å; P392-N394 PolarHBondContact O-N 2.85Å; N394-P397 HydrophobicContact CB-CG 4.43Å; N394-D431 VanDerWaalsContact CA-CG 3.47Å; N394-D431 VanDerWaalsContact CA-OD1 3.29Å; N394-D431 WeakPolarHBondContact CA-OD1 3.48Å; N394-D431 WeakPolarHBondContact CA-OD2 3.37Å; N394-D431 HydrophobicContact CB-CB 4.29Å; N394-D431 WeakPolarHBondContact CB-OD2 3.41Å; N394-D431 WeakPolarHBondContact OD1-CB 3.44Å
395F96.4Very high95.8Very high0 Ų039.6 Ų39.60%023%0.229CC..  trans-95.7-23.9178.9-64.9-5.5000112.9F344 T393 P397 I398 I399 I423 T425 I429 D431 T435 I451F344-F395 AromaticContact CE2-CD1 3.91Å; F344-F395 HydrophobicContact CE2-CD1 3.91Å; F344-F395 AromaticContact CE2-CE1 3.66Å; F344-F395 HydrophobicContact CE2-CE1 3.66Å; F344-F395 AromaticContact CZ-CD1 3.86Å; F344-F395 HydrophobicContact CZ-CD1 3.86Å; F344-F395 AromaticContact CZ-CE1 3.55Å; F344-F395 HydrophobicContact CZ-CE1 3.55Å; T393-F395 HydrophobicContact CG2-CE1 3.81Å; T393-F395 HydrophobicContact CG2-CZ 4.47Å; F395-P397 VanDerWaalsContact C-N 3.29Å; F395-I398 VanDerWaalsContact O-CG2 3.31Å; F395-I398 WeakPolarHBondContact O-CG2 3.25Å; F395-I398 PolarHBondContact O-N 3.31Å; F395-I399 HydrophobicContact CB-CD1 3.89Å; F395-I399 WeakPolarHBondContact O-CG1 3.41Å; F395-I399 PolarHBondContact O-N 3.18Å; F395-I399 VanDerWaalsContact O-N 3.07Å; F395-I423 HydrophobicContact CB-CD1 4.3Å; F395-I423 HydrophobicContact CD1-CG2 4.1Å; F395-I423 HydrophobicContact CD2-CD1 4.15Å; F395-I423 HydrophobicContact CD2-CG2 4.34Å; F395-I423 HydrophobicContact CE1-CG2 3.83Å; F395-I423 HydrophobicContact CE2-CG2 4.05Å; F395-I423 HydrophobicContact CG-CD1 4.16Å; F395-I423 HydrophobicContact CG-CG2 4.38Å; F395-I423 HydrophobicContact CZ-CG2 3.83Å; F395-T425 HydrophobicContact CE1-CG2 4.39Å; F395-T425 HydrophobicContact CE2-CG2 4.3Å; F395-T425 HydrophobicContact CZ-CG2 3.52Å; F395-I429 HydrophobicContact CD2-CD1 3.59Å; F395-I429 HydrophobicContact CD2-CG1 3.91Å; F395-I429 HydrophobicContact CE1-CG1 4.45Å; F395-I429 HydrophobicContact CE2-CD1 3.37Å; F395-I429 HydrophobicContact CE2-CG1 3.51Å; F395-I429 HydrophobicContact CZ-CD1 4.17Å; F395-I429 HydrophobicContact CZ-CG1 3.78Å; F395-D431 PolarHBondContact N-OD1 2.64Å; F395-D431 PolarHBondContact N-OD2 3.41Å; F395-T435 HydrophobicContact CB-CG2 4.12Å; F395-I451 HydrophobicContact CD2-CD1 4.34Å; F395-I451 HydrophobicContact CE2-CD1 4.21Å; F395-I451 HydrophobicContact CE2-CG2 4.16Å
396S97Very high95.8Very high15 Ų1534.6 Ų34.611%0.10520%0.196CC..Hα-helixtrans-55.9-36.1-176.569.50000113.6N400 D431 T435S396-N400 VanDerWaalsContact O-CB 3.29Å; S396-N400 WeakPolarHBondContact O-CB 3.45Å; S396-N400 PolarHBondContact O-N 3.04Å; S396-N400 PolarHBondContact O-ND2 2.92Å; S396-D431 WeakPolarHBondContact CB-OD2 3.33Å; S396-D431 PolarHBondContact N-OD2 3.21Å; S396-D431 PolarHBondContact OG-OD2 3.44Å; S396-T435 PolarHBondContact N-OG1 2.87Å
397P97.6Very high95.8Very high38 Ų3832.4 Ų32.425%0.24719%0.192CC..Hα-helixtrans-63.1-53179.8-25.839.8000112.8H357 N394 F395 I399 N400 H401H357-P397 HydrophobicContact CB-CB 4.35Å; H357-P397 HydrophobicContact CB-CG 3.83Å; N394-P397 HydrophobicContact CB-CG 4.43Å; F395-P397 VanDerWaalsContact C-N 3.29Å; P397-I399 PolarHBondContact O-N 3.16Å; P397-N400 PolarHBondContact O-N 3.03Å; P397-H401 PolarHBondContact O-N 3.3Å
398I97.4Very high95.5Very high1 Ų134.1 Ų34.11%0.00521%0.213CC..Hα-helixtrans-66.8-37.6-179-168.7173000112F342 F395 N400 H401 V402 L421 I423F342-I398 HydrophobicContact CB-CD1 3.99Å; F342-I398 HydrophobicContact CD2-CD1 4.4Å; F395-I398 VanDerWaalsContact O-CG2 3.31Å; F395-I398 WeakPolarHBondContact O-CG2 3.25Å; F395-I398 PolarHBondContact O-N 3.31Å; I398-N400 VanDerWaalsContact C-N 3.34Å; I398-N400 PolarHBondContact O-N 3.45Å; I398-H401 PolarHBondContact O-N 3.26Å; I398-V402 WeakPolarHBondContact O-CG2 3.44Å; I398-V402 PolarHBondContact O-N 3.17Å; I398-L421 HydrophobicContact CD1-CD1 3.93Å; I398-L421 HydrophobicContact CG1-CD1 4.15Å; I398-L421 HydrophobicContact CG1-CD2 4.44Å; I398-I423 HydrophobicContact CG2-CD1 4.3Å
399I98.3Very high95.2Very high0 Ų029.7 Ų29.70%020%0.198CC..Hα-helixtrans-61.3-45.8174.3-66.3170.5000110F395 P397 H401 A403 L421 I423 T435 A438 I439 I449F395-I399 HydrophobicContact CB-CD1 3.89Å; F395-I399 WeakPolarHBondContact O-CG1 3.41Å; F395-I399 PolarHBondContact O-N 3.18Å; F395-I399 VanDerWaalsContact O-N 3.07Å; P397-I399 PolarHBondContact O-N 3.16Å; I399-H401 VanDerWaalsContact C-N 3.35Å; I399-H401 PolarHBondContact O-N 3.17Å; I399-A403 WeakPolarHBondContact O-CB 3.41Å; I399-A403 PolarHBondContact O-N 3.33Å; I399-L421 HydrophobicContact CG1-CD2 4.03Å; I399-I423 HydrophobicContact CD1-CD1 4.31Å; I399-I423 HydrophobicContact CG1-CD1 4.08Å; I399-T435 HydrophobicContact CD1-CG2 3.95Å; I399-A438 HydrophobicContact CB-CB 4.17Å; I399-A438 HydrophobicContact CG2-CB 3.68Å; I399-I439 HydrophobicContact CD1-CG1 4.16Å; I399-I449 HydrophobicContact CD1-CD1 4.27Å; I399-I449 HydrophobicContact CG1-CD1 4.18Å; I399-I449 HydrophobicContact CG2-CD1 3.85Å
400N98.3Very high94.8Very high58 Ų5829.2 Ų29.231%0.3120%0.196SC..Hα-helixtrans-66-37178.7-73.6-48.2000112.1S396 P397 I398 S404 R441S396-N400 VanDerWaalsContact O-CB 3.29Å; S396-N400 WeakPolarHBondContact O-CB 3.45Å; S396-N400 PolarHBondContact O-N 3.04Å; S396-N400 PolarHBondContact O-ND2 2.92Å; P397-N400 PolarHBondContact O-N 3.03Å; I398-N400 VanDerWaalsContact C-N 3.34Å; I398-N400 PolarHBondContact O-N 3.45Å; N400-S404 WeakPolarHBondContact O-CB 3.21Å; N400-S404 PolarHBondContact O-N 3.43Å; N400-R441 PolarHBondContact OD1-NH2 3.44Å
401H96.9Very high94.2Very high61 Ų6135.4 Ų35.428%0.28222%0.222SC..Hα-helixtrans-63.4-52.4176-178.9-161.6000111.2F342 E358 P397 I398 I399 A403 S404 I405F342-H401 AromaticContact CE1-CE1 3.95Å; F342-H401 AromaticContact CZ-CE1 3.53Å; F342-H401 AromaticContact CZ-ND1 3.89Å; E358-H401 IonicContact OE1-CE1 3.25Å; E358-H401 IonicContact OE1-CG 3.79Å; E358-H401 IonicContact OE1-ND1 3.19Å; E358-H401 PolarHBondContact OE1-ND1 3.15Å; E358-H401 IonicContact OE2-CG 3.38Å; E358-H401 IonicContact OE2-ND1 3.76Å; P397-H401 PolarHBondContact O-N 3.3Å; I398-H401 PolarHBondContact O-N 3.26Å; I399-H401 VanDerWaalsContact C-N 3.35Å; I399-H401 PolarHBondContact O-N 3.17Å; H401-A403 VanDerWaalsContact C-N 3.32Å; H401-A403 PolarHBondContact O-N 3.28Å; H401-S404 WeakPolarHBondContact O-CB 3.4Å; H401-S404 PolarHBondContact O-N 2.81Å; H401-S404 PolarHBondContact O-OG 3.14Å; H401-I405 PolarHBondContact O-N 2.96Å
402V97.4Very high93.8Very high1 Ų135.4 Ų35.41%0.00622%0.219CC..Hα-helixtrans-64.2-38.6178.4-178.70000111.5T290 I398 S404 I405 A406 F419 L421 L447T290-V402 HydrophobicContact CG2-CG2 3.74Å; I398-V402 WeakPolarHBondContact O-CG2 3.44Å; I398-V402 PolarHBondContact O-N 3.17Å; V402-S404 VanDerWaalsContact C-N 3.28Å; V402-S404 PolarHBondContact O-N 3.09Å; V402-I405 PolarHBondContact O-N 3.43Å; V402-A406 WeakPolarHBondContact O-CB 3.4Å; V402-A406 PolarHBondContact O-N 3.03Å; V402-F419 HydrophobicContact CG1-CB 4.49Å; V402-L421 HydrophobicContact CB-CD2 4.32Å; V402-L421 HydrophobicContact CG1-CB 4.34Å; V402-L421 HydrophobicContact CG2-CB 4.49Å; V402-L421 HydrophobicContact CG2-CD1 4.13Å; V402-L421 HydrophobicContact CG2-CD2 4.09Å; V402-L421 HydrophobicContact CG2-CG 4.46Å; V402-L447 HydrophobicContact CG1-CD1 3.67Å; V402-L447 HydrophobicContact CG1-CD2 4.24Å
403A97.8Very high93.2Very high10 Ų1038.4 Ų38.48%0.08324%0.238CC..Hα-helixtrans-59.4-38.417300000111.9I399 H401 I405 A406 S407 A442 L445 L447I399-A403 WeakPolarHBondContact O-CB 3.41Å; I399-A403 PolarHBondContact O-N 3.33Å; H401-A403 VanDerWaalsContact C-N 3.32Å; H401-A403 PolarHBondContact O-N 3.28Å; A403-I405 VanDerWaalsContact C-N 3.33Å; A403-I405 PolarHBondContact O-N 3.13Å; A403-A406 PolarHBondContact O-N 3.09Å; A403-S407 WeakPolarHBondContact O-CB 3.42Å; A403-S407 PolarHBondContact O-N 2.54Å; A403-A442 HydrophobicContact CB-CB 4.32Å; A403-L445 HydrophobicContact CB-CD1 3.73Å; A403-L445 VanDerWaalsContact O-CD1 3.25Å; A403-L445 WeakPolarHBondContact O-CD1 3.26Å; A403-L447 HydrophobicContact CB-CD2 4.27Å
404S96.2Very high93Very high67 Ų6740.2 Ų40.247%0.46925%0.25SC..Hα-helixtrans-63-39.7176.579.80000112N400 H401 V402 S407N400-S404 WeakPolarHBondContact O-CB 3.21Å; N400-S404 PolarHBondContact O-N 3.43Å; H401-S404 WeakPolarHBondContact O-CB 3.4Å; H401-S404 PolarHBondContact O-N 2.81Å; H401-S404 PolarHBondContact O-OG 3.14Å; V402-S404 VanDerWaalsContact C-N 3.28Å; V402-S404 PolarHBondContact O-N 3.09Å; S404-S407 WeakPolarHBondContact O-CB 3.46Å; S404-S407 PolarHBondContact O-N 2.98Å; S404-S407 PolarHBondContact O-OG 3.21Å
405I93.6Very high92.8Very high64 Ų6439.1 Ų39.133%0.32824%0.244SC..Hα-helixtrans-66.4-50175.2-58.3170.1000109.9H401 V402 A403 S407 G408 F419H401-I405 PolarHBondContact O-N 2.96Å; V402-I405 PolarHBondContact O-N 3.43Å; A403-I405 VanDerWaalsContact C-N 3.33Å; A403-I405 PolarHBondContact O-N 3.13Å; I405-S407 PolarHBondContact O-N 3.42Å; I405-G408 PolarHBondContact O-N 3.43Å; I405-F419 HydrophobicContact CG2-CD1 4.4Å; I405-F419 HydrophobicContact CG2-CE1 3.62Å; I405-F419 HydrophobicContact CG2-CZ 4.05Å
406A95.9Very high92.5Very high0 Ų040.3 Ų40.30%025%0.252CS..Hα-helixtrans-60-30.8178.700000112.5V402 A403 G408 A409 F419 L445 P446 L447V402-A406 WeakPolarHBondContact O-CB 3.4Å; V402-A406 PolarHBondContact O-N 3.03Å; A403-A406 PolarHBondContact O-N 3.09Å; A406-G408 VanDerWaalsContact C-N 3.28Å; A406-G408 PolarHBondContact O-N 3.32Å; A406-A409 WeakPolarHBondContact O-CB 3.19Å; A406-A409 PolarHBondContact O-N 3.44Å; A406-A409 VanDerWaalsContact O-N 3.16Å; A406-F419 HydrophobicContact CB-CB 4.39Å; A406-F419 HydrophobicContact CB-CD2 3.63Å; A406-F419 HydrophobicContact CB-CE2 4.1Å; A406-F419 HydrophobicContact CB-CG 4.01Å; A406-L445 HydrophobicContact CB-CB 4.27Å; A406-P446 HydrophobicContact CB-CG 4.26Å; A406-P446 WeakPolarHBondContact O-CD 3.3Å; A406-P446 WeakPolarHBondContact O-CG 3.21Å; A406-L447 HydrophobicContact CB-CB 4.31Å
407S95.1Very high92.4Very high51 Ų5142 Ų4236%0.35726%0.258SS..Hα-helixtrans-62-34.6175.583.10000112.6A403 S404 I405 A409 T410A403-S407 WeakPolarHBondContact O-CB 3.42Å; A403-S407 PolarHBondContact O-N 2.54Å; S404-S407 WeakPolarHBondContact O-CB 3.46Å; S404-S407 PolarHBondContact O-N 2.98Å; S404-S407 PolarHBondContact O-OG 3.21Å; I405-S407 PolarHBondContact O-N 3.42Å; S407-A409 VanDerWaalsContact C-N 3.27Å; S407-A409 PolarHBondContact O-N 2.91Å; S407-T410 WeakPolarHBondContact O-CB 3.49Å; S407-T410 PolarHBondContact O-N 3.14Å; S407-T410 VanDerWaalsContact O-N 3.12Å; S407-T410 PolarHBondContact O-OG1 2.8Å
408G89.9Confident92.3Very high52 Ų5240.2 Ų40.254%0.53625%0.247SC..Hα-helixtrans-61.8-35.6175.100000112.5I405 A406 T410 Q411I405-G408 PolarHBondContact O-N 3.43Å; A406-G408 VanDerWaalsContact C-N 3.28Å; A406-G408 PolarHBondContact O-N 3.32Å; G408-T410 VanDerWaalsContact C-N 3.25Å; G408-T410 PolarHBondContact O-N 3.17Å; G408-Q411 PolarHBondContact O-N 2.84Å
409A88.9Confident92.2Very high21 Ų2141 Ų4117%0.17425%0.25CS..Hα-helixtrans-71.6-15.8177.700000113.8A406 S407 Q411 A412 Q417 F419 P446A406-A409 WeakPolarHBondContact O-CB 3.19Å; A406-A409 PolarHBondContact O-N 3.44Å; A406-A409 VanDerWaalsContact O-N 3.16Å; S407-A409 VanDerWaalsContact C-N 3.27Å; S407-A409 PolarHBondContact O-N 2.91Å; A409-Q411 PolarHBondContact O-N 2.79Å; A409-A412 WeakPolarHBondContact O-CB 3.4Å; A409-A412 PolarHBondContact O-N 3.33Å; A409-A412 VanDerWaalsContact O-N 3.13Å; A409-Q417 HydrophobicContact CB-CB 4.05Å; A409-F419 HydrophobicContact CB-CE2 3.71Å; A409-F419 HydrophobicContact CB-CZ 4.32Å; A409-P446 HydrophobicContact CB-CG 4.02Å
410T87.6Confident92.1Very high27 Ų2741.1 Ų41.117%0.16625%0.251CS..THydrogen-bonded Turntrans-66.8-20178.266.10000113.7S407 G408 A412 L445S407-T410 WeakPolarHBondContact O-CB 3.49Å; S407-T410 PolarHBondContact O-N 3.14Å; S407-T410 VanDerWaalsContact O-N 3.12Å; S407-T410 PolarHBondContact O-OG1 2.8Å; G408-T410 VanDerWaalsContact C-N 3.25Å; G408-T410 PolarHBondContact O-N 3.17Å; T410-A412 VanDerWaalsContact C-N 3.33Å; T410-L445 HydrophobicContact CG2-CD2 3.75Å
411Q82.3Confident92.1Very high162 Ų16238.3 Ų38.376%0.75724%0.236SC*.THydrogen-bonded Turntrans-82.5-11.9177.4-58.4-59-32.500112.6G408 A409G408-Q411 PolarHBondContact O-N 2.84Å; A409-Q411 PolarHBondContact O-N 2.79Å
412A82.3Confident92.1Very high30 Ų3035.4 Ų35.425%0.24822%0.222CC..  trans-67.1132.8177.600000110A409 T410 T414A409-A412 WeakPolarHBondContact O-CB 3.4Å; A409-A412 PolarHBondContact O-N 3.33Å; A409-A412 VanDerWaalsContact O-N 3.13Å; T410-A412 VanDerWaalsContact C-N 3.33Å; A412-T414 PolarHBondContact O-N 3Å; A412-T414 VanDerWaalsContact O-N 3.16Å
413P81.9Confident92.1Very high116 Ų11635.4 Ų35.475%0.75322%0.222SC*.SBendtrans-73.7-1.3177.730.6-34.5000112.9
414T88.3Confident92.1Very high47 Ų4734.9 Ų34.929%0.28822%0.218SC..SBendtrans-132.4150.7-169.355.60000111.1A412 S416 Q525A412-T414 PolarHBondContact O-N 3Å; A412-T414 VanDerWaalsContact O-N 3.16Å; T414-S416 PolarHBondContact O-N 2.88Å; T414-S416 PolarHBondContact OG1-OG 2.68Å; T414-Q525 HydrophobicContact CG2-CG 4.13Å; T414-Q525 PolarHBondContact OG1-NE2 2.93Å; T414-Q525 VanDerWaalsContact OG1-NE2 3.15Å
415A90.6Very high92Very high1 Ų131.7 Ų31.71%0.00820%0.196CC..SBendtrans-76.368.1173.200000111.6F280 C285 F517 L522F280-A415 HydrophobicContact CD1-CB 3.56Å; F280-A415 HydrophobicContact CE1-CB 3.57Å; C285-A415 WeakPolarHBondContact CB-O 3.13Å; A415-F517 VanDerWaalsContact CA-CE1 3.45Å; A415-F517 HydrophobicContact CB-CD1 3.46Å; A415-F517 VanDerWaalsContact CB-CD1 3.46Å; A415-F517 HydrophobicContact CB-CD2 4.07Å; A415-F517 HydrophobicContact CB-CE1 3.49Å; A415-F517 VanDerWaalsContact CB-CE1 3.49Å; A415-F517 HydrophobicContact CB-CE2 4.08Å; A415-F517 HydrophobicContact CB-CG 3.78Å; A415-F517 HydrophobicContact CB-CZ 3.81Å; A415-L522 HydrophobicContact CB-CB 4.23Å
416S90.3Very high92Very high24 Ų2429.1 Ų29.117%0.16818%0.182CC..  trans-105.7-19.5-171.853.70000114.8C285 Q286 T414C285-S416 WeakPolarHBondContact CA-O 3.34Å; Q286-S416 PolarHBondContact N-O 3.05Å; T414-S416 PolarHBondContact O-N 2.88Å; T414-S416 PolarHBondContact OG1-OG 2.68Å
417Q93.1Very high91Very high52 Ų5229.3 Ų29.324%0.24318%0.184CC..EExtended strand (participates in β ladder)trans-139.9130-171.8-61.8-70.9-62.700110.6N288 A409 F419N288-Q417 PolarHBondContact ND2-OE1 2.84Å; N288-Q417 PolarHBondContact OD1-OE1 2.78Å; A409-Q417 HydrophobicContact CB-CB 4.05Å; Q417-F419 HydrophobicContact CB-CE2 4.22Å
418Y95.4Very high90.1Very high0 Ų033.7 Ų33.70%020%0.199CC..EExtended strand (participates in β ladder)trans-133.2149.4170.1-160-95.9000109.3Q286 I287 N288 V420 P446 S448 R482 Q512 L513 Y516 F517Q286-Y418 PolarHBondContact O-N 2.89Å; I287-Y418 WeakPolarHBondContact CA-O 3.34Å; N288-Y418 PolarHBondContact N-O 3.46Å; N288-Y418 PolarHBondContact ND2-O 2.93Å; Y418-V420 HydrophobicContact CD1-CG2 4.43Å; Y418-P446 HydrophobicContact CD2-CB 3.84Å; Y418-P446 HydrophobicContact CE2-CB 4.28Å; Y418-S448 WeakPolarHBondContact CE1-OG 3.41Å; Y418-S448 PolarHBondContact OH-OG 3.09Å; Y418-S448 VanDerWaalsContact OH-OG 3.09Å; Y418-R482 PolarHBondContact OH-NH1 2.99Å; Y418-R482 VanDerWaalsContact OH-NH1 3.1Å; Y418-Q512 VanDerWaalsContact OH-C 3.27Å; Y418-Q512 PolarHBondContact OH-O 2.95Å; Y418-L513 HydrophobicContact CD1-CB 4.3Å; Y418-L513 HydrophobicContact CD1-CD1 3.92Å; Y418-L513 HydrophobicContact CD1-CG 4.3Å; Y418-L513 HydrophobicContact CD2-CB 4.22Å; Y418-L513 HydrophobicContact CD2-CD1 4.11Å; Y418-L513 HydrophobicContact CD2-CG 3.84Å; Y418-L513 HydrophobicContact CE1-CB 4.12Å; Y418-L513 HydrophobicContact CE2-CB 4.06Å; Y418-L513 HydrophobicContact CE2-CG 4.16Å; Y418-L513 HydrophobicContact CG-CB 4.33Å; Y418-L513 HydrophobicContact CG-CD1 3.65Å; Y418-L513 HydrophobicContact CG-CG 3.91Å; Y418-L513 PolarHBondContact OH-N 2.88Å; Y418-Y516 HydrophobicContact CD2-CD1 4.28Å; Y418-Y516 HydrophobicContact CE2-CD1 4.13Å; Y418-Y516 HydrophobicContact CE2-CG 4.14Å; Y418-F517 HydrophobicContact CD2-CE2 4.23Å; Y418-F517 HydrophobicContact CD2-CZ 4.34Å
419F96.1Very high90Very high18 Ų1832 Ų328%0.07918%0.178CC..EExtended strand (participates in β ladder)trans-119.6139.5-174.6-63.1-96.7000110.4N288 V402 I405 A406 A409 Q417 P446 L447 S448N288-F419 HydrophobicContact CB-CD1 3.54Å; N288-F419 HydrophobicContact CB-CE1 3.75Å; N288-F419 HydrophobicContact CB-CG 4.23Å; N288-F419 CarbonylContact O-C 3.53Å; N288-F419 WeakPolarHBondContact O-CA 3.22Å; V402-F419 HydrophobicContact CG1-CB 4.49Å; I405-F419 HydrophobicContact CG2-CD1 4.4Å; I405-F419 HydrophobicContact CG2-CE1 3.62Å; I405-F419 HydrophobicContact CG2-CZ 4.05Å; A406-F419 HydrophobicContact CB-CB 4.39Å; A406-F419 HydrophobicContact CB-CD2 3.63Å; A406-F419 HydrophobicContact CB-CE2 4.1Å; A406-F419 HydrophobicContact CB-CG 4.01Å; A409-F419 HydrophobicContact CB-CE2 3.71Å; A409-F419 HydrophobicContact CB-CZ 4.32Å; Q417-F419 HydrophobicContact CB-CE2 4.22Å; F419-P446 WeakPolarHBondContact CB-O 3.12Å; F419-P446 HydrophobicContact CD2-CG 4.16Å; F419-P446 WeakPolarHBondContact CD2-O 3.37Å; F419-P446 HydrophobicContact CE2-CG 4.35Å; F419-P446 PolarHBondContact N-O 3.01Å; F419-L447 HydrophobicContact CB-CD1 3.77Å; F419-L447 CarbonylContact O-C 3.53Å; F419-L447 WeakPolarHBondContact O-CA 3.44Å; F419-S448 PolarHBondContact O-N 3.15Å
420V95.9Very high90.2Very high1 Ų135.4 Ų35.41%0.00620%0.196CC..EExtended strand (participates in β ladder)trans-126.7118.5174.4177.20000108.2I287 N288 F289 T290 Y418 S448 I450 V509I287-V420 HydrophobicContact CG2-CB 4.35Å; I287-V420 HydrophobicContact CG2-CG2 3.57Å; N288-V420 PolarHBondContact O-N 2.93Å; F289-V420 HydrophobicContact CD2-CB 4.16Å; F289-V420 HydrophobicContact CD2-CG1 3.98Å; F289-V420 HydrophobicContact CE2-CG1 4.17Å; T290-V420 PolarHBondContact N-O 2.93Å; Y418-V420 HydrophobicContact CD1-CG2 4.43Å; V420-S448 WeakPolarHBondContact CA-O 3.39Å; V420-I450 HydrophobicContact CG1-CD1 3.65Å; V420-I450 HydrophobicContact CG1-CG1 4.32Å; V420-V509 HydrophobicContact CG2-CG1 3.99Å
421L97.6Very high90.5Very high0 Ų034.5 Ų34.50%019%0.191CC..EExtended strand (participates in β ladder)trans-100.6115.9173.1169.556.8000109.4T290 I398 I399 V402 I423 L447 S448 I449 I450T290-L421 HydrophobicContact CG2-CD1 4.03Å; T290-L421 CarbonylContact O-C 3.49Å; T290-L421 WeakPolarHBondContact O-CA 3.21Å; I398-L421 HydrophobicContact CD1-CD1 3.93Å; I398-L421 HydrophobicContact CG1-CD1 4.15Å; I398-L421 HydrophobicContact CG1-CD2 4.44Å; I399-L421 HydrophobicContact CG1-CD2 4.03Å; V402-L421 HydrophobicContact CB-CD2 4.32Å; V402-L421 HydrophobicContact CG1-CB 4.34Å; V402-L421 HydrophobicContact CG2-CB 4.49Å; V402-L421 HydrophobicContact CG2-CD1 4.13Å; V402-L421 HydrophobicContact CG2-CD2 4.09Å; V402-L421 HydrophobicContact CG2-CG 4.46Å; L421-I423 HydrophobicContact CD1-CG1 4.17Å; L421-I423 HydrophobicContact CD2-CD1 4.07Å; L421-I423 HydrophobicContact CD2-CG1 4.15Å; L421-I423 HydrophobicContact CG-CD1 4.34Å; L421-I423 HydrophobicContact CG-CG1 3.89Å; L421-L447 HydrophobicContact CB-CD1 4.27Å; L421-S448 PolarHBondContact N-O 3.38Å; L421-I449 CarbonylContact O-C 3.41Å; L421-I449 WeakPolarHBondContact O-CA 3.42Å; L421-I450 PolarHBondContact O-N 2.89Å
422L97.4Very high91Very high0 Ų029 Ų290%017%0.166CC..EExtended strand (participates in β ladder)trans-93.4119168.9173.464.7000110.1F289 T290 V291 G292 L323 V326 L424 I450 V452F289-L422 HydrophobicContact CE2-CB 3.69Å; F289-L422 HydrophobicContact CE2-CD2 4.41Å; F289-L422 HydrophobicContact CZ-CB 3.74Å; F289-L422 HydrophobicContact CZ-CD2 3.71Å; F289-L422 HydrophobicContact CZ-CG 4.37Å; T290-L422 PolarHBondContact O-N 3.03Å; V291-L422 CarbonylContact C-O 3.6Å; V291-L422 WeakPolarHBondContact CA-O 3.23Å; G292-L422 PolarHBondContact N-O 3.39Å; L323-L422 HydrophobicContact CD1-CD2 4.39Å; V326-L422 HydrophobicContact CB-CD2 4.12Å; V326-L422 HydrophobicContact CG1-CD2 4.19Å; L422-L424 HydrophobicContact CD1-CD2 3.82Å; L422-L424 HydrophobicContact CD2-CD2 4.03Å; L422-L424 HydrophobicContact CD2-CG 4.38Å; L422-L424 HydrophobicContact CG-CD2 3.91Å; L422-L424 HydrophobicContact CG-CG 4.23Å; L422-I450 CarbonylContact C-O 3.39Å; L422-I450 WeakPolarHBondContact CA-O 3.29Å; L422-I450 HydrophobicContact CD1-CB 4.1Å; L422-I450 HydrophobicContact CD1-CG2 3.52Å; L422-V452 HydrophobicContact CD1-CG2 3.81Å
423I97.7Very high91.6Very high0 Ų031.4 Ų31.40%018%0.175CC..EExtended strand (participates in β ladder)trans-105.5123.4172.2-56.5179.9000108.5G292 F344 F395 I398 I399 L421 I449 I450 I451 V452G292-I423 WeakPolarHBondContact O-CA 3.37Å; F344-I423 HydrophobicContact CE1-CG2 4.07Å; F344-I423 HydrophobicContact CZ-CG2 3.94Å; F395-I423 HydrophobicContact CB-CD1 4.3Å; F395-I423 HydrophobicContact CD1-CG2 4.1Å; F395-I423 HydrophobicContact CD2-CD1 4.15Å; F395-I423 HydrophobicContact CD2-CG2 4.34Å; F395-I423 HydrophobicContact CE1-CG2 3.83Å; F395-I423 HydrophobicContact CE2-CG2 4.05Å; F395-I423 HydrophobicContact CG-CD1 4.16Å; F395-I423 HydrophobicContact CG-CG2 4.38Å; F395-I423 HydrophobicContact CZ-CG2 3.83Å; I398-I423 HydrophobicContact CG2-CD1 4.3Å; I399-I423 HydrophobicContact CD1-CD1 4.31Å; I399-I423 HydrophobicContact CG1-CD1 4.08Å; L421-I423 HydrophobicContact CD1-CG1 4.17Å; L421-I423 HydrophobicContact CD2-CD1 4.07Å; L421-I423 HydrophobicContact CD2-CG1 4.15Å; L421-I423 HydrophobicContact CG-CD1 4.34Å; L421-I423 HydrophobicContact CG-CG1 3.89Å; I423-I449 HydrophobicContact CD1-CG2 4.07Å; I423-I450 PolarHBondContact N-O 2.8Å; I423-I451 HydrophobicContact CB-CG1 4.38Å; I423-I451 WeakPolarHBondContact O-CA 3.18Å; I423-V452 PolarHBondContact O-N 3.29Å
424L97.3Very high92.3Very high0 Ų030.9 Ų30.90%016%0.163CC..EExtended strand (participates in β ladder)trans-107.4124.1172.8-55.5-179.1000108.6G292 I293 D294 Y319 A322 L323 L422 V452G292-L424 PolarHBondContact O-N 3.3Å; I293-L424 HydrophobicContact CG1-CD1 4.39Å; D294-L424 WeakPolarHBondContact CB-O 3.39Å; D294-L424 PolarHBondContact N-O 3.27Å; Y319-L424 HydrophobicContact CD1-CB 3.57Å; Y319-L424 HydrophobicContact CD1-CD1 4.13Å; Y319-L424 HydrophobicContact CE1-CB 3.8Å; Y319-L424 WeakPolarHBondContact O-CD1 3.12Å; A322-L424 HydrophobicContact CB-CD2 3.8Å; L323-L424 HydrophobicContact CB-CD1 4.16Å; L422-L424 HydrophobicContact CD1-CD2 3.82Å; L422-L424 HydrophobicContact CD2-CD2 4.03Å; L422-L424 HydrophobicContact CD2-CG 4.38Å; L422-L424 HydrophobicContact CG-CD2 3.91Å; L422-L424 HydrophobicContact CG-CG 4.23Å; L424-V452 HydrophobicContact CD2-CB 3.71Å; L424-V452 HydrophobicContact CD2-CG1 4.41Å; L424-V452 HydrophobicContact CD2-CG2 4.17Å
425T95.8Very high92.7Very high0 Ų028.7 Ų28.70%015%0.149CC..EExtended strand (participates in β ladder)trans-144.9151.5-175.9-179.80000112D294 F395 G427 I451 V452 G453 V454 M462D294-T425 WeakPolarHBondContact OD2-CB 3.24Å; D294-T425 PolarHBondContact OD2-OG1 3.42Å; F395-T425 HydrophobicContact CE1-CG2 4.39Å; F395-T425 HydrophobicContact CE2-CG2 4.3Å; F395-T425 HydrophobicContact CZ-CG2 3.52Å; T425-G427 PolarHBondContact OG1-N 2.9Å; T425-I451 HydrophobicContact CG2-CG2 4.06Å; T425-V452 PolarHBondContact N-O 3.33Å; T425-V452 VanDerWaalsContact N-O 3.16Å; T425-G453 CarbonylContact O-C 3.56Å; T425-G453 WeakPolarHBondContact O-CA 3.09Å; T425-V454 WeakPolarHBondContact O-CG2 3.48Å; T425-V454 PolarHBondContact O-N 2.81Å; T425-M462 HydrophobicContact CG2-CE 4.2Å
426D91.8Very high92.9Very high9 Ų931.4 Ų31.45%0.04816%0.159CC..SBendtrans-93.1-8.717669-46.7000115S298 N299 L308 Y319 V454 A457S298-D426 WeakPolarHBondContact CB-OD2 3.26Å; S298-D426 VanDerWaalsContact OG-CG 3.31Å; S298-D426 PolarHBondContact OG-OD1 3.38Å; S298-D426 PolarHBondContact OG-OD2 3.48Å; N299-D426 PolarHBondContact N-OD2 3.45Å; N299-D426 VanDerWaalsContact N-OD2 3.13Å; N299-D426 PolarHBondContact ND2-OD1 3.31Å; N299-D426 PolarHBondContact ND2-OD2 2.62Å; N299-D426 VanDerWaalsContact OD1-CB 3.29Å; N299-D426 WeakPolarHBondContact OD1-CB 3.21Å; N299-D426 VanDerWaalsContact OD1-CG 3.24Å; L308-D426 HydrophobicContact CD1-CB 3.28Å; Y319-D426 PolarHBondContact OH-N 2.9Å; D426-V454 CarbonylContact C-O 3.59Å; D426-V454 VanDerWaalsContact CA-O 3.28Å; D426-V454 WeakPolarHBondContact CA-O 3.34Å; D426-V454 HydrophobicContact CB-CG2 3.96Å; D426-A457 WeakPolarHBondContact O-CB 3.41Å
427G76.1Confident93.2Very high4 Ų432.2 Ų32.24%0.04116%0.162CC..SBendtrans138.9166.7173.300000114.7T425T425-G427 PolarHBondContact OG1-N 2.9Å
428E75.4Confident93.4Very high143 Ų14329.8 Ų29.867%0.66815%0.15SC*.  trans56.488.7177.1-62.6-170.3174.300116.5T393 T430T393-E428 WeakPolarHBondContact CB-O 3.25Å; T393-E428 PolarHBondContact OG1-O 3.37Å; E428-T430 PolarHBondContact O-N 3.38Å
429I89.1Confident93.5Very high17 Ų1729.9 Ų29.99%0.08715%0.151CC..  trans-68.9123.1167.3-54.9172.3000109.1F395 D431 M462 L465F395-I429 HydrophobicContact CD2-CD1 3.59Å; F395-I429 HydrophobicContact CD2-CG1 3.91Å; F395-I429 HydrophobicContact CE1-CG1 4.45Å; F395-I429 HydrophobicContact CE2-CD1 3.37Å; F395-I429 HydrophobicContact CE2-CG1 3.51Å; F395-I429 HydrophobicContact CZ-CD1 4.17Å; F395-I429 HydrophobicContact CZ-CG1 3.78Å; I429-D431 VanDerWaalsContact CG2-OD1 3.29Å; I429-D431 WeakPolarHBondContact CG2-OD1 3.17Å; I429-M462 HydrophobicContact CD1-CE 4.22Å; I429-M462 HydrophobicContact CD1-CG 4.16Å; I429-M462 HydrophobicContact CD1-SD 4.07Å; I429-M462 HydrophobicContact CG1-CE 3.77Å; I429-M462 HydrophobicContact CG1-SD 4.14Å; I429-L465 HydrophobicContact CD1-CD1 3.57Å
430T91.4Very high93.6Very high92 Ų9229.1 Ų29.156%0.56415%0.147SC*.SBendtrans-85.1-33.3177.5-53.10000112.1P392 T393 E428 L432P392-T430 HydrophobicContact CB-CG2 3.69Å; P392-T430 WeakPolarHBondContact CB-OG1 3.48Å; P392-T430 HydrophobicContact CG-CG2 4.44Å; T393-T430 PolarHBondContact O-N 3.06Å; E428-T430 PolarHBondContact O-N 3.38Å; T430-L432 PolarHBondContact O-N 3.12Å
431D94.3Very high93.6Very high9 Ų935.9 Ų35.95%0.04817%0.173CC..  trans-98.943.3-177.573.2-17.6000113.3N394 F395 S396 I429 D433 Q434 T435N394-D431 VanDerWaalsContact CA-CG 3.47Å; N394-D431 VanDerWaalsContact CA-OD1 3.29Å; N394-D431 WeakPolarHBondContact CA-OD1 3.48Å; N394-D431 WeakPolarHBondContact CA-OD2 3.37Å; N394-D431 HydrophobicContact CB-CB 4.29Å; N394-D431 WeakPolarHBondContact CB-OD2 3.41Å; N394-D431 WeakPolarHBondContact OD1-CB 3.44Å; F395-D431 PolarHBondContact N-OD1 2.64Å; F395-D431 PolarHBondContact N-OD2 3.41Å; S396-D431 WeakPolarHBondContact CB-OD2 3.33Å; S396-D431 PolarHBondContact N-OD2 3.21Å; S396-D431 PolarHBondContact OG-OD2 3.44Å; I429-D431 VanDerWaalsContact CG2-OD1 3.29Å; I429-D431 WeakPolarHBondContact CG2-OD1 3.17Å; D431-D433 VanDerWaalsContact C-N 3.3Å; D431-D433 PolarHBondContact O-N 3.5Å; D431-Q434 HydrophobicContact CB-CB 4.2Å; D431-Q434 PolarHBondContact O-N 2.82Å; D431-Q434 VanDerWaalsContact O-N 3.13Å; D431-Q434 PolarHBondContact O-OE1 2.82Å; D431-T435 WeakPolarHBondContact O-CB 3.35Å; D431-T435 PolarHBondContact O-N 2.97Å; D431-T435 PolarHBondContact O-OG1 3.02Å; D431-T435 PolarHBondContact OD1-OG1 2.65Å
432L92.8Very high93.6Very high45 Ų4536 Ų3624%0.23617%0.173CC..Hα-helixtrans-53.9-44.3-172.5-178.162.4000112.6T430 T435 R436 A461 L464 L465T430-L432 PolarHBondContact O-N 3.12Å; L432-T435 PolarHBondContact O-N 3.36Å; L432-R436 HydrophobicContact CD1-CG 4.44Å; L432-R436 WeakPolarHBondContact O-CB 3.47Å; L432-R436 WeakPolarHBondContact O-CG 3.43Å; L432-R436 PolarHBondContact O-N 3.23Å; L432-A461 HydrophobicContact CD1-CB 4.44Å; L432-L464 HydrophobicContact CD2-CD2 4.38Å; L432-L465 HydrophobicContact CD1-CD1 4.44Å; L432-L465 HydrophobicContact CD1-CD2 4Å; L432-L465 HydrophobicContact CD1-CG 4.3Å
433D95Very high93.5Very high82 Ų8236 Ų3644%0.43917%0.173SC..Hα-helixtrans-65.9-43-180-78.4-21.2000112.4D431 T435 R436 D437 T475D431-D433 VanDerWaalsContact C-N 3.3Å; D431-D433 PolarHBondContact O-N 3.5Å; D433-T435 VanDerWaalsContact C-N 3.32Å; D433-T435 PolarHBondContact O-N 3.47Å; D433-R436 PolarHBondContact O-N 2.92Å; D433-R436 IonicContact OD1-NH1 2.76Å; D433-D437 PolarHBondContact O-N 2.89Å; D433-T475 HydrophobicContact CB-CG2 3.68Å
434Q96.9Very high93.4Very high105 Ų10542 Ų4249%0.49120%0.196SC..Hα-helixtrans-67-36.8176.3-63.181.4-4.100111.4D431 D437 A438D431-Q434 HydrophobicContact CB-CB 4.2Å; D431-Q434 PolarHBondContact O-N 2.82Å; D431-Q434 VanDerWaalsContact O-N 3.13Å; D431-Q434 PolarHBondContact O-OE1 2.82Å; Q434-D437 PolarHBondContact O-N 3.16Å; Q434-A438 WeakPolarHBondContact O-CB 3.47Å; Q434-A438 PolarHBondContact O-N 3.13Å
435T96.4Very high93.4Very high0 Ų043.3 Ų43.30%020%0.203CC..Hα-helixtrans-65.7-44.5175.7-71.90000110.7F395 S396 I399 D431 L432 D433 D437 A438 I439 L465F395-T435 HydrophobicContact CB-CG2 4.12Å; S396-T435 PolarHBondContact N-OG1 2.87Å; I399-T435 HydrophobicContact CD1-CG2 3.95Å; D431-T435 WeakPolarHBondContact O-CB 3.35Å; D431-T435 PolarHBondContact O-N 2.97Å; D431-T435 PolarHBondContact O-OG1 3.02Å; D431-T435 PolarHBondContact OD1-OG1 2.65Å; L432-T435 PolarHBondContact O-N 3.36Å; D433-T435 VanDerWaalsContact C-N 3.32Å; D433-T435 PolarHBondContact O-N 3.47Å; T435-D437 PolarHBondContact O-N 3.33Å; T435-A438 PolarHBondContact O-N 3.16Å; T435-I439 HydrophobicContact CG2-CD1 3.79Å; T435-I439 VanDerWaalsContact O-CG1 3.31Å; T435-I439 WeakPolarHBondContact O-CG1 3.43Å; T435-I439 PolarHBondContact O-N 3.25Å; T435-L465 HydrophobicContact CG2-CD1 3.81Å; T435-L465 HydrophobicContact CG2-CD2 4.49Å
436R95.4Very high93.5Very high58 Ų5843.4 Ų43.422%0.21920%0.203CC..Hα-helixtrans-57.4-47.7172.5-73.8172.561.7-167.74.1111.7L432 D433 A438 I439 V440 L465 L472 R473L432-R436 HydrophobicContact CD1-CG 4.44Å; L432-R436 WeakPolarHBondContact O-CB 3.47Å; L432-R436 WeakPolarHBondContact O-CG 3.43Å; L432-R436 PolarHBondContact O-N 3.23Å; D433-R436 PolarHBondContact O-N 2.92Å; D433-R436 IonicContact OD1-NH1 2.76Å; R436-A438 VanDerWaalsContact C-N 3.31Å; R436-A438 PolarHBondContact O-N 2.7Å; R436-I439 PolarHBondContact O-N 3.18Å; R436-V440 VanDerWaalsContact O-CG2 3.31Å; R436-V440 WeakPolarHBondContact O-CG2 3.36Å; R436-V440 PolarHBondContact O-N 3.22Å; R436-L465 HydrophobicContact CG-CD2 3.79Å; R436-L472 HydrophobicContact CG-CD1 4.14Å; R436-R473 VanDerWaalsContact CZ-O 3.26Å; R436-R473 PolarHBondContact NE-O 2.82Å; R436-R473 PolarHBondContact NH2-O 3.21Å
437D96.8Very high93.8Very high42 Ų4243 Ų4323%0.22520%0.201CC..Hα-helixtrans-63.8-37.8178.5-70.8-12.7000111.9D433 Q434 T435 R441 S474 T475D433-D437 PolarHBondContact O-N 2.89Å; Q434-D437 PolarHBondContact O-N 3.16Å; T435-D437 PolarHBondContact O-N 3.33Å; D437-R441 WeakPolarHBondContact O-CG 3.47Å; D437-R441 PolarHBondContact O-N 3.02Å; D437-R441 VanDerWaalsContact O-N 3.14Å; D437-S474 VanDerWaalsContact OD1-CA 3.27Å; D437-S474 WeakPolarHBondContact OD1-CA 3.4Å; D437-S474 WeakPolarHBondContact OD1-CB 3.27Å; D437-T475 PolarHBondContact OD1-N 3.14Å; D437-T475 PolarHBondContact OD1-OG1 2.69Å; D437-T475 VanDerWaalsContact OD1-OG1 3.14Å; D437-T475 WeakPolarHBondContact OD2-CG2 3.43Å; D437-T475 PolarHBondContact OD2-OG1 2.74Å
438A97.8Very high94.8Very high0 Ų042.8 Ų42.80%020%0.199CC..Hα-helixtrans-64.8-45.8175.200000111.9I399 Q434 T435 R436 R441 A442I399-A438 HydrophobicContact CB-CB 4.17Å; I399-A438 HydrophobicContact CG2-CB 3.68Å; Q434-A438 WeakPolarHBondContact O-CB 3.47Å; Q434-A438 PolarHBondContact O-N 3.13Å; T435-A438 PolarHBondContact O-N 3.16Å; R436-A438 VanDerWaalsContact C-N 3.31Å; R436-A438 PolarHBondContact O-N 2.7Å; A438-R441 PolarHBondContact O-N 2.83Å; A438-A442 VanDerWaalsContact O-CB 3.23Å; A438-A442 WeakPolarHBondContact O-CB 3.34Å; A438-A442 PolarHBondContact O-N 3.15Å
439I97.3Very high95.8Very high2 Ų236 Ų361%0.0117%0.167CC..Hα-helixtrans-61.9-45.9177.6-69.4161.4000111I399 T435 R436 R441 A442 S443 I449 L465 L472 V480 I484 V485I399-I439 HydrophobicContact CD1-CG1 4.16Å; T435-I439 HydrophobicContact CG2-CD1 3.79Å; T435-I439 VanDerWaalsContact O-CG1 3.31Å; T435-I439 WeakPolarHBondContact O-CG1 3.43Å; T435-I439 PolarHBondContact O-N 3.25Å; R436-I439 PolarHBondContact O-N 3.18Å; I439-R441 VanDerWaalsContact C-N 3.33Å; I439-R441 PolarHBondContact O-N 3.46Å; I439-A442 CarbonylContact O-C 3.58Å; I439-A442 PolarHBondContact O-N 2.99Å; I439-S443 PolarHBondContact O-N 2.8Å; I439-I449 HydrophobicContact CG1-CD1 4.01Å; I439-L465 HydrophobicContact CD1-CB 4.34Å; I439-L465 HydrophobicContact CD1-CD1 4.06Å; I439-L465 HydrophobicContact CD1-CD2 3.78Å; I439-L465 HydrophobicContact CD1-CG 4.27Å; I439-L472 HydrophobicContact CB-CD2 4.08Å; I439-L472 HydrophobicContact CD1-CD2 4.36Å; I439-L472 HydrophobicContact CG2-CD2 3.54Å; I439-V480 HydrophobicContact CG2-CG1 4.36Å; I439-I484 HydrophobicContact CG2-CD1 4.01Å; I439-I484 HydrophobicContact CG2-CG1 3.96Å; I439-V485 HydrophobicContact CD1-CG2 3.97Å; I439-V485 HydrophobicContact CG1-CG2 4.18Å; I439-V485 HydrophobicContact CG2-CG2 3.72Å
440V96.4Very high96.1Very high2 Ų235.2 Ų35.21%0.01216%0.163CC..Hα-helixtrans-60.2-43.5178.8172.50000111.1R436 S443 E478 V480R436-V440 VanDerWaalsContact O-CG2 3.31Å; R436-V440 WeakPolarHBondContact O-CG2 3.36Å; R436-V440 PolarHBondContact O-N 3.22Å; V440-S443 WeakPolarHBondContact O-CB 3.41Å; V440-S443 PolarHBondContact O-N 2.8Å; V440-S443 PolarHBondContact O-OG 2.93Å; V440-E478 HydrophobicContact CG1-CB 4.31Å; V440-E478 HydrophobicContact CG1-CG 4.39Å; V440-V480 HydrophobicContact CB-CG1 4.47Å; V440-V480 HydrophobicContact CG2-CG1 3.75Å
441R96.6Very high96.3Very high144 Ų14430.8 Ų30.854%0.54314%0.137SC..Hα-helixtrans-65.2-44.2174.5-69.3-175.7-58.8-167.16.2112.2N400 D437 A438 I439 S443 R444N400-R441 PolarHBondContact OD1-NH2 3.44Å; D437-R441 WeakPolarHBondContact O-CG 3.47Å; D437-R441 PolarHBondContact O-N 3.02Å; D437-R441 VanDerWaalsContact O-N 3.14Å; A438-R441 PolarHBondContact O-N 2.83Å; I439-R441 VanDerWaalsContact C-N 3.33Å; I439-R441 PolarHBondContact O-N 3.46Å; R441-S443 PolarHBondContact O-N 2.96Å; R441-R444 PolarHBondContact O-N 3.37Å
442A97.6Very high96.4Very high1 Ų130.4 Ų30.41%0.00813%0.134CC..Hα-helixtrans-63.6-25.6178.600000113.1A403 A438 I439 R444 L445 L447 I484A403-A442 HydrophobicContact CB-CB 4.32Å; A438-A442 VanDerWaalsContact O-CB 3.23Å; A438-A442 WeakPolarHBondContact O-CB 3.34Å; A438-A442 PolarHBondContact O-N 3.15Å; I439-A442 CarbonylContact O-C 3.58Å; I439-A442 PolarHBondContact O-N 2.99Å; A442-R444 PolarHBondContact O-N 3.5Å; A442-L445 WeakPolarHBondContact O-CB 3.41Å; A442-L445 PolarHBondContact O-N 3.26Å; A442-L447 HydrophobicContact CB-CD2 4.05Å; A442-I484 HydrophobicContact CB-CD1 3.75Å
443S96.2Very high96.5Very high0 Ų028.2 Ų28.20%012%0.123CC..THydrogen-bonded Turntrans-58.9-19.1179.775.60000113.6I439 V440 R441 S481 R482I439-S443 PolarHBondContact O-N 2.8Å; V440-S443 WeakPolarHBondContact O-CB 3.41Å; V440-S443 PolarHBondContact O-N 2.8Å; V440-S443 PolarHBondContact O-OG 2.93Å; R441-S443 PolarHBondContact O-N 2.96Å; S443-S481 PolarHBondContact OG-N 3.19Å; S443-R482 WeakPolarHBondContact O-CD 3.47Å; S443-R482 WeakPolarHBondContact O-CG 3.36Å; S443-R482 PolarHBondContact O-NE 3.36Å
444R95.4Very high96.5Very high127 Ų12724.3 Ų24.348%0.47910%0.102SC..THydrogen-bonded Turntrans-88.6-5.8177.6-58.9172.8-177.2179.5-1.4114.1R441 A442 E478 S481R441-R444 PolarHBondContact O-N 3.37Å; A442-R444 PolarHBondContact O-N 3.5Å; R444-E478 IonicContact CZ-OE1 3.06Å; R444-E478 IonicContact NE-OE1 3.66Å; R444-E478 VanDerWaalsContact NH2-CD 3.25Å; R444-E478 IonicContact NH2-OE1 2.86Å; R444-E478 PolarHBondContact NH2-OE1 3.4Å; R444-E478 IonicContact NH2-OE2 2.77Å; R444-E478 PolarHBondContact NH2-OE2 3.43Å; R444-S481 WeakPolarHBondContact CG-OG 3.33Å
445L97.5Very high96.2Very high28 Ų2819.6 Ų19.615%0.1478%0.082CC..SBendtrans-105.1166.6-172.2-55.4-177.4000111.1A403 A406 T410 A442 L447 R482 Y516A403-L445 HydrophobicContact CB-CD1 3.73Å; A403-L445 VanDerWaalsContact O-CD1 3.25Å; A403-L445 WeakPolarHBondContact O-CD1 3.26Å; A406-L445 HydrophobicContact CB-CB 4.27Å; T410-L445 HydrophobicContact CG2-CD2 3.75Å; A442-L445 WeakPolarHBondContact O-CB 3.41Å; A442-L445 PolarHBondContact O-N 3.26Å; L445-L447 PolarHBondContact O-N 3.19Å; L445-R482 PolarHBondContact O-NH2 3.37Å; L445-Y516 VanDerWaalsContact O-CD2 3.24Å; L445-Y516 WeakPolarHBondContact O-CD2 2.92Å; L445-Y516 WeakPolarHBondContact O-CE2 3.44Å
446P97Very high96Very high1 Ų125.1 Ų25.11%0.00612%0.118CC..SBendtrans-76.563.2175.229.4-32.3000111.8A406 A409 Y418 F419 Y516A406-P446 HydrophobicContact CB-CG 4.26Å; A406-P446 WeakPolarHBondContact O-CD 3.3Å; A406-P446 WeakPolarHBondContact O-CG 3.21Å; A409-P446 HydrophobicContact CB-CG 4.02Å; Y418-P446 HydrophobicContact CD2-CB 3.84Å; Y418-P446 HydrophobicContact CE2-CB 4.28Å; F419-P446 WeakPolarHBondContact CB-O 3.12Å; F419-P446 HydrophobicContact CD2-CG 4.16Å; F419-P446 WeakPolarHBondContact CD2-O 3.37Å; F419-P446 HydrophobicContact CE2-CG 4.35Å; F419-P446 PolarHBondContact N-O 3.01Å; P446-Y516 HydrophobicContact CB-CD1 3.89Å; P446-Y516 HydrophobicContact CB-CE1 3.44Å; P446-Y516 VanDerWaalsContact CB-CE1 3.44Å; P446-Y516 HydrophobicContact CB-CE2 4.24Å; P446-Y516 HydrophobicContact CB-CG 4.47Å; P446-Y516 WeakPolarHBondContact CD-OH 3.3Å; P446-Y516 HydrophobicContact CG-CE1 4.28Å
447L97.7Very high95.7Very high0 Ų023.7 Ų23.70%012%0.118CC..EExtended strand (participates in β ladder)trans-136.3134.7-170.8177.959.1000112.4V402 A403 A406 F419 L421 A442 L445 I449 R482V402-L447 HydrophobicContact CG1-CD1 3.67Å; V402-L447 HydrophobicContact CG1-CD2 4.24Å; A403-L447 HydrophobicContact CB-CD2 4.27Å; A406-L447 HydrophobicContact CB-CB 4.31Å; F419-L447 HydrophobicContact CB-CD1 3.77Å; F419-L447 CarbonylContact O-C 3.53Å; F419-L447 WeakPolarHBondContact O-CA 3.44Å; L421-L447 HydrophobicContact CB-CD1 4.27Å; A442-L447 HydrophobicContact CB-CD2 4.05Å; L445-L447 PolarHBondContact O-N 3.19Å; L447-I449 HydrophobicContact CD2-CG1 4.44Å; L447-I449 HydrophobicContact CG-CG1 4.27Å; L447-R482 PolarHBondContact O-NH2 3.23Å
448S96.9Very high95.2Very high0 Ų025.8 Ų25.80%013%0.129CC..EExtended strand (participates in β ladder)trans-113.6146162.1-71.90000110.3Y418 F419 V420 L421 I484 Q512Y418-S448 WeakPolarHBondContact CE1-OG 3.41Å; Y418-S448 PolarHBondContact OH-OG 3.09Å; Y418-S448 VanDerWaalsContact OH-OG 3.09Å; F419-S448 PolarHBondContact O-N 3.15Å; V420-S448 WeakPolarHBondContact CA-O 3.39Å; L421-S448 PolarHBondContact N-O 3.38Å; S448-I484 CarbonylContact C-O 3.5Å; S448-I484 WeakPolarHBondContact CA-O 3.4Å; S448-Q512 VanDerWaalsContact CB-OE1 3.22Å; S448-Q512 PolarHBondContact OG-OE1 3.38Å
449I97.1Very high94.8Very high0 Ų025.8 Ų25.80%013%0.129CC..EExtended strand (participates in β ladder)trans-121.7122.1178.8-57.1169.6000107.4I399 L421 I423 I439 L447 I451 I484 V485 Q486I399-I449 HydrophobicContact CD1-CD1 4.27Å; I399-I449 HydrophobicContact CG1-CD1 4.18Å; I399-I449 HydrophobicContact CG2-CD1 3.85Å; L421-I449 CarbonylContact O-C 3.41Å; L421-I449 WeakPolarHBondContact O-CA 3.42Å; I423-I449 HydrophobicContact CD1-CG2 4.07Å; I439-I449 HydrophobicContact CG1-CD1 4.01Å; L447-I449 HydrophobicContact CD2-CG1 4.44Å; L447-I449 HydrophobicContact CG-CG1 4.27Å; I449-I451 HydrophobicContact CG2-CG1 4.11Å; I449-I484 HydrophobicContact CD1-CD1 3.88Å; I449-I484 HydrophobicContact CD1-CG1 4.42Å; I449-I484 HydrophobicContact CG1-CD1 4.39Å; I449-I484 PolarHBondContact N-O 3.42Å; I449-V485 HydrophobicContact CB-CG2 4.44Å; I449-V485 CarbonylContact O-C 3.55Å; I449-V485 VanDerWaalsContact O-CA 3.23Å; I449-V485 WeakPolarHBondContact O-CA 3.47Å; I449-Q486 PolarHBondContact O-N 2.84Å
450I95.8Very high94.3Very high1 Ų132 Ų321%0.00516%0.156CC..EExtended strand (participates in β ladder)trans-109.5130175.9-66.4171.6000107.2V420 L421 L422 I423 V452 Q486 V505 L506 V509V420-I450 HydrophobicContact CG1-CD1 3.65Å; V420-I450 HydrophobicContact CG1-CG1 4.32Å; L421-I450 PolarHBondContact O-N 2.89Å; L422-I450 CarbonylContact C-O 3.39Å; L422-I450 WeakPolarHBondContact CA-O 3.29Å; L422-I450 HydrophobicContact CD1-CB 4.1Å; L422-I450 HydrophobicContact CD1-CG2 3.52Å; I423-I450 PolarHBondContact N-O 2.8Å; I450-V452 HydrophobicContact CG2-CG2 4.15Å; I450-Q486 CarbonylContact C-O 3.51Å; I450-Q486 WeakPolarHBondContact CA-O 3.33Å; I450-V505 HydrophobicContact CB-CG1 4.42Å; I450-V505 HydrophobicContact CD1-CG1 3.91Å; I450-V505 HydrophobicContact CG1-CG1 4.4Å; I450-V505 HydrophobicContact CG2-CG1 3.28Å; I450-L506 HydrophobicContact CD1-CD2 3.8Å; I450-V509 HydrophobicContact CD1-CG2 3.97Å; I450-V509 HydrophobicContact CG1-CG2 4.48Å
451I95.4Very high93.9Very high0 Ų033.3 Ų33.30%017%0.167CC..EExtended strand (participates in β ladder)trans-118.9118.7176.6-53.7176.5000108.2F395 I423 T425 I449 M462 L465 V485 Q486 F487 V488F395-I451 HydrophobicContact CD2-CD1 4.34Å; F395-I451 HydrophobicContact CE2-CD1 4.21Å; F395-I451 HydrophobicContact CE2-CG2 4.16Å; I423-I451 HydrophobicContact CB-CG1 4.38Å; I423-I451 WeakPolarHBondContact O-CA 3.18Å; T425-I451 HydrophobicContact CG2-CG2 4.06Å; I449-I451 HydrophobicContact CG2-CG1 4.11Å; I451-M462 HydrophobicContact CG2-CG 4.28Å; I451-L465 HydrophobicContact CD1-CD1 4.17Å; I451-V485 HydrophobicContact CD1-CG1 4.05Å; I451-V485 HydrophobicContact CG1-CG1 4.47Å; I451-Q486 PolarHBondContact N-O 3.43Å; I451-F487 HydrophobicContact CB-CD2 4.03Å; I451-F487 HydrophobicContact CG2-CD2 3.89Å; I451-F487 HydrophobicContact CG2-CE2 4.35Å; I451-F487 WeakPolarHBondContact O-CA 3.45Å; I451-F487 WeakPolarHBondContact O-CD2 3.31Å; I451-V488 PolarHBondContact O-N 3.08Å
452V95.4Very high93.6Very high0 Ų026.4 Ų26.40%014%0.141CC..EExtended strand (participates in β ladder)trans-108.9115.1173.6-177.40000109.5A322 L422 I423 L424 T425 I450 V488 F490 V505A322-V452 HydrophobicContact CB-CG1 3.92Å; L422-V452 HydrophobicContact CD1-CG2 3.81Å; I423-V452 PolarHBondContact O-N 3.29Å; L424-V452 HydrophobicContact CD2-CB 3.71Å; L424-V452 HydrophobicContact CD2-CG1 4.41Å; L424-V452 HydrophobicContact CD2-CG2 4.17Å; T425-V452 PolarHBondContact N-O 3.33Å; T425-V452 VanDerWaalsContact N-O 3.16Å; I450-V452 HydrophobicContact CG2-CG2 4.15Å; V452-V488 VanDerWaalsContact CA-O 3.32Å; V452-V488 WeakPolarHBondContact CA-O 3.27Å; V452-F490 HydrophobicContact CG1-CB 4.1Å; V452-F490 HydrophobicContact CG1-CD2 4.45Å; V452-V505 HydrophobicContact CG2-CG2 3.88Å
453G95.4Very high93.1Very high0 Ų030.7 Ų30.70%016%0.161CC..EExtended strand (participates in β ladder)trans-85116.8177.200000111.5T425 V488 F490T425-G453 CarbonylContact O-C 3.56Å; T425-G453 WeakPolarHBondContact O-CA 3.09Å; G453-V488 PolarHBondContact N-O 3.32Å; G453-F490 VanDerWaalsContact O-CB 3.29Å; G453-F490 WeakPolarHBondContact O-CB 3Å; G453-F490 PolarHBondContact O-N 2.91Å
454V94.5Very high92.7Very high0 Ų035.2 Ų35.20%019%0.185CC..  trans-100156.6176.1-59.10000111.5L308 Q318 Y319 T425 D426 F459 F490L308-V454 HydrophobicContact CD1-CG2 4.35Å; Q318-V454 HydrophobicContact CB-CB 3.85Å; Q318-V454 HydrophobicContact CB-CG1 3.75Å; Y319-V454 HydrophobicContact CD2-CG2 4.02Å; Y319-V454 HydrophobicContact CE1-CG2 4.09Å; Y319-V454 HydrophobicContact CE2-CG2 3.49Å; Y319-V454 VanDerWaalsContact CE2-CG2 3.49Å; T425-V454 WeakPolarHBondContact O-CG2 3.48Å; T425-V454 PolarHBondContact O-N 2.81Å; D426-V454 CarbonylContact C-O 3.59Å; D426-V454 VanDerWaalsContact CA-O 3.28Å; D426-V454 WeakPolarHBondContact CA-O 3.34Å; D426-V454 HydrophobicContact CB-CG2 3.96Å; V454-F459 WeakPolarHBondContact O-CZ 3.18Å; V454-F490 HydrophobicContact CG1-CB 4.22Å
455G92.6Very high92.4Very high6 Ų629.2 Ų29.26%0.06216%0.162CC..SBendtrans74.9-167.8178.600000114.5
456P90.3Very high91.8Very high116 Ų11628.6 Ų28.675%0.75316%0.159SC*.SBendtrans-973.6-165.936.9-35.7000115.3R491P456-R491 PolarHBondContact O-NH1 3.44Å
457A89.1Confident90.8Very high28 Ų2829.4 Ų29.423%0.23117%0.168CC..  trans-61.2168.5-171.800000114.7D426 F459 R491D426-A457 WeakPolarHBondContact O-CB 3.41Å; A457-F459 HydrophobicContact CB-CE1 4.34Å; A457-F459 HydrophobicContact CB-CZ 4.33Å; A457-R491 PolarHBondContact O-NH1 2.83Å
458D86.4Confident89.6Confident85 Ų8534.5 Ų34.546%0.45520%0.195SC..  trans-79.8125.1169.4-169.40.3000109.5K460D458-K460 WeakPolarHBondContact OD1-CG 3.23Å; D458-K460 PolarHBondContact OD1-N 2.99Å; D458-K460 IonicContact OD1-NZ 2.72Å; D458-K460 IonicContact OD2-NZ 2.84Å; D458-K460 PolarHBondContact OD2-NZ 3.42Å
459F89.3Confident88.1Confident0 Ų042.2 Ų42.20%024%0.236CC..  trans-109.514-174.3-65-62000113.7V454 A457 A461 M462 E463 F487 P489V454-F459 WeakPolarHBondContact O-CZ 3.18Å; A457-F459 HydrophobicContact CB-CE1 4.34Å; A457-F459 HydrophobicContact CB-CZ 4.33Å; F459-A461 PolarHBondContact O-N 2.75Å; F459-A461 VanDerWaalsContact O-N 3.1Å; F459-M462 HydrophobicContact CD1-CE 3.95Å; F459-M462 HydrophobicContact CD1-CG 4.46Å; F459-M462 HydrophobicContact CD1-SD 4.11Å; F459-M462 HydrophobicContact CE1-CE 4.42Å; F459-M462 WeakPolarHBondContact O-CA 3.46Å; F459-M462 WeakPolarHBondContact O-CB 3.3Å; F459-M462 PolarHBondContact O-N 3.07Å; F459-E463 PolarHBondContact O-N 3.24Å; F459-F487 HydrophobicContact CB-CE1 3.65Å; F459-F487 HydrophobicContact CB-CE2 4.34Å; F459-F487 HydrophobicContact CB-CZ 3.36Å; F459-F487 HydrophobicContact CD1-CE2 4.21Å; F459-F487 AromaticContact CD1-CZ 3.85Å; F459-F487 HydrophobicContact CD1-CZ 3.85Å; F459-F487 AromaticContact CD2-CZ 3.93Å; F459-F487 HydrophobicContact CD2-CZ 3.93Å; F459-F487 HydrophobicContact CG-CE1 4.23Å; F459-F487 HydrophobicContact CG-CE2 4.27Å; F459-F487 AromaticContact CG-CZ 3.46Å; F459-F487 HydrophobicContact CG-CZ 3.46Å; F459-F487 VanDerWaalsContact CG-CZ 3.46Å; F459-P489 HydrophobicContact CD2-CB 4.05Å; F459-P489 HydrophobicContact CE2-CB 4.27Å
460K88.4Confident86.8Confident133 Ų13344.3 Ų44.358%0.57826%0.257SS*.Hα-helixtrans-50.5-37.2177.5-78175.4-165.6128.50114.4D458 M462 E463 L464D458-K460 WeakPolarHBondContact OD1-CG 3.23Å; D458-K460 PolarHBondContact OD1-N 2.99Å; D458-K460 IonicContact OD1-NZ 2.72Å; D458-K460 IonicContact OD2-NZ 2.84Å; D458-K460 PolarHBondContact OD2-NZ 3.42Å; K460-M462 VanDerWaalsContact C-N 3.26Å; K460-M462 PolarHBondContact O-N 3.25Å; K460-E463 PolarHBondContact O-N 2.94Å; K460-L464 PolarHBondContact O-N 2.94Å
461A87.6Confident86.2Confident29 Ų2948.7 Ų48.724%0.2428%0.284CS..Hα-helixtrans-64.9-32.7178.200000112L432 F459 L465L432-A461 HydrophobicContact CD1-CB 4.44Å; F459-A461 PolarHBondContact O-N 2.75Å; F459-A461 VanDerWaalsContact O-N 3.1Å; A461-L465 WeakPolarHBondContact O-CG 3.44Å
462M89.1Confident85.9Confident0 Ų049.2 Ų49.20%029%0.287CS..Hα-helixtrans-80-38.2178.8-63.864.1162.300111T425 I429 I451 F459 K460 L464 L465 D466 F487T425-M462 HydrophobicContact CG2-CE 4.2Å; I429-M462 HydrophobicContact CD1-CE 4.22Å; I429-M462 HydrophobicContact CD1-CG 4.16Å; I429-M462 HydrophobicContact CD1-SD 4.07Å; I429-M462 HydrophobicContact CG1-CE 3.77Å; I429-M462 HydrophobicContact CG1-SD 4.14Å; I451-M462 HydrophobicContact CG2-CG 4.28Å; F459-M462 HydrophobicContact CD1-CE 3.95Å; F459-M462 HydrophobicContact CD1-CG 4.46Å; F459-M462 HydrophobicContact CD1-SD 4.11Å; F459-M462 HydrophobicContact CE1-CE 4.42Å; F459-M462 WeakPolarHBondContact O-CA 3.46Å; F459-M462 WeakPolarHBondContact O-CB 3.3Å; F459-M462 PolarHBondContact O-N 3.07Å; K460-M462 VanDerWaalsContact C-N 3.26Å; K460-M462 PolarHBondContact O-N 3.25Å; M462-L464 PolarHBondContact O-N 2.79Å; M462-L465 WeakPolarHBondContact O-CA 3.49Å; M462-L465 WeakPolarHBondContact O-CB 3.49Å; M462-L465 PolarHBondContact O-N 2.8Å; M462-D466 PolarHBondContact O-N 2.87Å; M462-F487 HydrophobicContact CB-CB 4.38Å; M462-F487 HydrophobicContact CB-CD1 3.92Å; M462-F487 HydrophobicContact CB-CD2 3.43Å; M462-F487 VanDerWaalsContact CB-CD2 3.43Å; M462-F487 HydrophobicContact CB-CE1 4.07Å; M462-F487 HydrophobicContact CB-CE2 3.6Å; M462-F487 HydrophobicContact CB-CG 3.61Å; M462-F487 HydrophobicContact CB-CZ 3.94Å; M462-F487 HydrophobicContact CG-CD2 4.01Å; M462-F487 HydrophobicContact CG-CE2 3.9Å; M462-F487 HydrophobicContact CG-CZ 4.47Å
463E88.1Confident85.8Confident90 Ų9055 Ų5542%0.42131%0.309SS..Hα-helixtrans-57.6-37.5170.9-67169.6177.800111.1F459 K460 L465 D466 F487F459-E463 PolarHBondContact O-N 3.24Å; K460-E463 PolarHBondContact O-N 2.94Å; E463-L465 VanDerWaalsContact C-N 3.28Å; E463-L465 PolarHBondContact O-N 2.99Å; E463-D466 WeakPolarHBondContact O-CB 3.24Å; E463-D466 PolarHBondContact O-N 2.88Å; E463-F487 HydrophobicContact CG-CD1 4.06Å; E463-F487 HydrophobicContact CG-CE1 4.11Å
464L87.4Confident85.6Confident96 Ų9655.4 Ų55.450%0.50331%0.311SS..Hα-helixtrans-63.3-31.1172.9-179.867.4000113.2L432 K460 M462L432-L464 HydrophobicContact CD2-CD2 4.38Å; K460-L464 PolarHBondContact O-N 2.94Å; M462-L464 PolarHBondContact O-N 2.79Å
465L88.8Confident85.5Confident1 Ų158.9 Ų58.91%0.00533%0.333CS..Hα-helixtrans-79.3-23.7-180-63.7179.4000112.9I429 L432 T435 R436 I439 I451 A461 M462 E463 G467 L472 V485I429-L465 HydrophobicContact CD1-CD1 3.57Å; L432-L465 HydrophobicContact CD1-CD1 4.44Å; L432-L465 HydrophobicContact CD1-CD2 4Å; L432-L465 HydrophobicContact CD1-CG 4.3Å; T435-L465 HydrophobicContact CG2-CD1 3.81Å; T435-L465 HydrophobicContact CG2-CD2 4.49Å; R436-L465 HydrophobicContact CG-CD2 3.79Å; I439-L465 HydrophobicContact CD1-CB 4.34Å; I439-L465 HydrophobicContact CD1-CD1 4.06Å; I439-L465 HydrophobicContact CD1-CD2 3.78Å; I439-L465 HydrophobicContact CD1-CG 4.27Å; I451-L465 HydrophobicContact CD1-CD1 4.17Å; A461-L465 WeakPolarHBondContact O-CG 3.44Å; M462-L465 WeakPolarHBondContact O-CA 3.49Å; M462-L465 WeakPolarHBondContact O-CB 3.49Å; M462-L465 PolarHBondContact O-N 2.8Å; E463-L465 VanDerWaalsContact C-N 3.28Å; E463-L465 PolarHBondContact O-N 2.99Å; L465-G467 PolarHBondContact O-N 3.07Å; L465-L472 HydrophobicContact CD2-CD1 4.23Å; L465-L472 HydrophobicContact CD2-CD2 4.31Å; L465-V485 HydrophobicContact CB-CG1 4.22Å; L465-V485 WeakPolarHBondContact O-CB 3.37Å
466D85Confident85.5Confident14 Ų1464.5 Ų64.58%0.07537%0.365CS..SBendtrans-68.3-12.1-173.6-151.519.6000114.3M462 E463 D468 Q486 F487M462-D466 PolarHBondContact O-N 2.87Å; E463-D466 WeakPolarHBondContact O-CB 3.24Å; E463-D466 PolarHBondContact O-N 2.88Å; D466-D468 PolarHBondContact O-N 2.88Å; D466-Q486 VanDerWaalsContact OD1-C 3.31Å; D466-Q486 WeakPolarHBondContact OD1-CA 3.47Å; D466-F487 HydrophobicContact CB-CB 4.1Å; D466-F487 VanDerWaalsContact CG-N 3.33Å; D466-F487 PolarHBondContact OD1-N 2.84Å
467G75.6Confident85.6Confident19 Ų1960.7 Ų60.720%0.19635%0.348CS..SBendtrans73.5-17173.200000116.3L465 D469 G470L465-G467 PolarHBondContact O-N 3.07Å; G467-D469 VanDerWaalsContact C-N 3.33Å; G467-D469 PolarHBondContact O-N 2.81Å; G467-G470 CarbonylContact C-O 3.27Å; G467-G470 CarbonylContact O-C 3.51Å; G467-G470 PolarHBondContact O-N 3.15Å; G467-G470 VanDerWaalsContact O-N 3.15Å
468D73.9Confident85.8Confident107 Ų10763 Ų6357%0.57235%0.354SS*.THydrogen-bonded Turntrans-56.4-39.9-180-90.5-17000113.8D466D466-D468 PolarHBondContact O-N 2.88Å
469D66.1Low86.2Confident162 Ų16260.4 Ų60.487%0.86634%0.344SS*.THydrogen-bonded Turntrans-92.17.2-177.9-75.7-38.4000113.8G467G467-D469 VanDerWaalsContact C-N 3.33Å; G467-D469 PolarHBondContact O-N 2.81Å
470G69.3Low86.4Confident43 Ų4361.9 Ų61.944%0.44335%0.353SS..SBendtrans151.2165.6175.100000114.7G467 L472G467-G470 CarbonylContact C-O 3.27Å; G467-G470 CarbonylContact O-C 3.51Å; G467-G470 PolarHBondContact O-N 3.15Å; G467-G470 VanDerWaalsContact O-N 3.15Å; G470-L472 PolarHBondContact O-N 2.87Å
471V83.5Confident86.6Confident93 Ų9358.4 Ų58.456%0.56435%0.345SS*.  trans-68.9110.6-177.2-177.70000110.6R473 A479 V480V471-R473 PolarHBondContact O-N 3.42Å; V471-A479 HydrophobicContact CG1-CB 3.55Å; V471-V480 HydrophobicContact CG1-CG2 4.01Å
472L89.3Confident86.8Confident11 Ų1157.7 Ų57.76%0.05834%0.337CS..  trans-57.7134.4173.4-172.669000110.4R436 I439 L465 G470 V480R436-L472 HydrophobicContact CG-CD1 4.14Å; I439-L472 HydrophobicContact CB-CD2 4.08Å; I439-L472 HydrophobicContact CD1-CD2 4.36Å; I439-L472 HydrophobicContact CG2-CD2 3.54Å; L465-L472 HydrophobicContact CD2-CD1 4.23Å; L465-L472 HydrophobicContact CD2-CD2 4.31Å; G470-L472 PolarHBondContact O-N 2.87Å; L472-V480 HydrophobicContact CB-CG1 3.83Å; L472-V480 HydrophobicContact CB-CG2 4.29Å; L472-V480 HydrophobicContact CD2-CG1 4.1Å; L472-V480 HydrophobicContact CG-CG1 4.28Å; L472-V480 PolarHBondContact O-N 2.95Å
473R91.8Very high87Confident122 Ų12260.3 Ų60.346%0.4635%0.351SS..BIsolated β-bridgetrans-123.5149.6178.7-68.2178.5-178.5-84.5-4.4112R436 V471 G477 E478 A479R436-R473 VanDerWaalsContact CZ-O 3.26Å; R436-R473 PolarHBondContact NE-O 2.82Å; R436-R473 PolarHBondContact NH2-O 3.21Å; V471-R473 PolarHBondContact O-N 3.42Å; R473-G477 PolarHBondContact NH1-O 2.95Å; R473-E478 CarbonylContact C-O 3.59Å; R473-E478 WeakPolarHBondContact CA-O 3.36Å; R473-A479 HydrophobicContact CG-CB 4.43Å
474S92.6Very high87.3Confident8 Ų856.1 Ų56.16%0.05633%0.331CS..  trans-70.8169.9170.466.60000111.1D437 V476 G477 E478D437-S474 VanDerWaalsContact OD1-CA 3.27Å; D437-S474 WeakPolarHBondContact OD1-CA 3.4Å; D437-S474 WeakPolarHBondContact OD1-CB 3.27Å; S474-V476 PolarHBondContact O-N 2.87Å; S474-V476 WeakPolarHBondContact OG-CG2 3.44Å; S474-V476 PolarHBondContact OG-N 3.2Å; S474-G477 PolarHBondContact O-N 3.42Å; S474-G477 PolarHBondContact OG-N 2.79Å; S474-E478 PolarHBondContact N-O 2.94Å; S474-E478 VanDerWaalsContact OG-CB 3.26Å; S474-E478 WeakPolarHBondContact OG-CB 3.35Å; S474-E478 PolarHBondContact OG-N 3.34Å; S474-E478 PolarHBondContact OG-O 3.2Å
475T92Very high87.7Confident73 Ų7351.6 Ų51.645%0.44831%0.307SS..THydrogen-bonded Turntrans-58.7-25.5173.855.90000113D433 D437D433-T475 HydrophobicContact CB-CG2 3.68Å; D437-T475 PolarHBondContact OD1-N 3.14Å; D437-T475 PolarHBondContact OD1-OG1 2.69Å; D437-T475 VanDerWaalsContact OD1-OG1 3.14Å; D437-T475 WeakPolarHBondContact OD2-CG2 3.43Å; D437-T475 PolarHBondContact OD2-OG1 2.74Å
476V93.1Very high87.9Confident124 Ų12452.4 Ų52.475%0.75231%0.311SS*.THydrogen-bonded Turntrans-94.35.8176.7-59.90000113.7S474 E478S474-V476 PolarHBondContact O-N 2.87Å; S474-V476 WeakPolarHBondContact OG-CG2 3.44Å; S474-V476 PolarHBondContact OG-N 3.2Å; V476-E478 HydrophobicContact CG2-CB 4.5Å
477G91.8Very high88.3Confident37 Ų3752.1 Ų52.138%0.38131%0.309SS..SBendtrans88.23.8174.300000115.7R473 S474R473-G477 PolarHBondContact NH1-O 2.95Å; S474-G477 PolarHBondContact O-N 3.42Å; S474-G477 PolarHBondContact OG-N 2.79Å
478E93.8Very high89.2Confident76 Ų7651.5 Ų51.536%0.35530%0.302SS..PPolyproline II helixtrans-71.5130.9177-162.6-163.6135.300110.6V440 R444 R473 S474 V476V440-E478 HydrophobicContact CG1-CB 4.31Å; V440-E478 HydrophobicContact CG1-CG 4.39Å; R444-E478 IonicContact CZ-OE1 3.06Å; R444-E478 IonicContact NE-OE1 3.66Å; R444-E478 VanDerWaalsContact NH2-CD 3.25Å; R444-E478 IonicContact NH2-OE1 2.86Å; R444-E478 PolarHBondContact NH2-OE1 3.4Å; R444-E478 IonicContact NH2-OE2 2.77Å; R444-E478 PolarHBondContact NH2-OE2 3.43Å; R473-E478 CarbonylContact C-O 3.59Å; R473-E478 WeakPolarHBondContact CA-O 3.36Å; S474-E478 PolarHBondContact N-O 2.94Å; S474-E478 VanDerWaalsContact OG-CB 3.26Å; S474-E478 WeakPolarHBondContact OG-CB 3.35Å; S474-E478 PolarHBondContact OG-N 3.34Å; S474-E478 PolarHBondContact OG-O 3.2Å; V476-E478 HydrophobicContact CG2-CB 4.5Å
479A93.6Very high90.1Very high31 Ų3147.3 Ų47.326%0.25628%0.28SS..BIsolated β-bridgetrans-80.3149.4177.300000112.1V471 R473V471-A479 HydrophobicContact CG1-CB 3.55Å; R473-A479 HydrophobicContact CG-CB 4.43Å
480V93.1Very high91.4Very high30 Ų3040.9 Ų40.918%0.18224%0.244CC..PPolyproline II helixtrans-53.1140166.3-71.40000110.9I439 V440 V471 L472 R482I439-V480 HydrophobicContact CG2-CG1 4.36Å; V440-V480 HydrophobicContact CB-CG1 4.47Å; V440-V480 HydrophobicContact CG2-CG1 3.75Å; V471-V480 HydrophobicContact CG1-CG2 4.01Å; L472-V480 HydrophobicContact CB-CG1 3.83Å; L472-V480 HydrophobicContact CB-CG2 4.29Å; L472-V480 HydrophobicContact CD2-CG1 4.1Å; L472-V480 HydrophobicContact CG-CG1 4.28Å; L472-V480 PolarHBondContact O-N 2.95Å; V480-R482 VanDerWaalsContact C-N 3.32Å
481S92.7Very high92.4Very high60 Ų6044 Ų4442%0.4224%0.243SC..SBendtrans-75.2-26.3178.2-60.70000112.5S443 R444S443-S481 PolarHBondContact OG-N 3.19Å; R444-S481 WeakPolarHBondContact CG-OG 3.33Å
482R93Very high92.8Very high15 Ų1544.9 Ų44.96%0.05724%0.244CC..SBendtrans-161.4157177.852.3179.6-1678817107.6Y418 S443 L445 L447 V480 I484 Q512Y418-R482 PolarHBondContact OH-NH1 2.99Å; Y418-R482 VanDerWaalsContact OH-NH1 3.1Å; S443-R482 WeakPolarHBondContact O-CD 3.47Å; S443-R482 WeakPolarHBondContact O-CG 3.36Å; S443-R482 PolarHBondContact O-NE 3.36Å; L445-R482 PolarHBondContact O-NH2 3.37Å; L447-R482 PolarHBondContact O-NH2 3.23Å; V480-R482 VanDerWaalsContact C-N 3.32Å; R482-I484 HydrophobicContact CG-CG2 3.96Å; R482-I484 VanDerWaalsContact NH1-CG2 3.31Å; R482-I484 VanDerWaalsContact NH2-CG2 3.32Å; R482-Q512 PolarHBondContact NH1-O 3.21Å
483D92.1Very high92.8Very high55 Ų5546.3 Ų46.329%0.29425%0.25SS..  trans-69.4138169.7-154.8-14.5000110.8V485D483-V485 PolarHBondContact OD1-N 2.88Å
484I95.1Very high92Very high1 Ų148.6 Ų48.61%0.00526%0.264CS..  trans-141.3-6.5-177.174.8170.7000113.3I439 A442 S448 I449 R482I439-I484 HydrophobicContact CG2-CD1 4.01Å; I439-I484 HydrophobicContact CG2-CG1 3.96Å; A442-I484 HydrophobicContact CB-CD1 3.75Å; S448-I484 CarbonylContact C-O 3.5Å; S448-I484 WeakPolarHBondContact CA-O 3.4Å; I449-I484 HydrophobicContact CD1-CD1 3.88Å; I449-I484 HydrophobicContact CD1-CG1 4.42Å; I449-I484 HydrophobicContact CG1-CD1 4.39Å; I449-I484 PolarHBondContact N-O 3.42Å; R482-I484 HydrophobicContact CG-CG2 3.96Å; R482-I484 VanDerWaalsContact NH1-CG2 3.31Å; R482-I484 VanDerWaalsContact NH2-CG2 3.32Å
485V95.1Very high91.4Very high1 Ų155.8 Ų55.81%0.00630%0.301CS..EExtended strand (participates in β ladder)trans-105.5138.8-175-178.60000107.9I439 I449 I451 L465 D483 Q512I439-V485 HydrophobicContact CD1-CG2 3.97Å; I439-V485 HydrophobicContact CG1-CG2 4.18Å; I439-V485 HydrophobicContact CG2-CG2 3.72Å; I449-V485 HydrophobicContact CB-CG2 4.44Å; I449-V485 CarbonylContact O-C 3.55Å; I449-V485 VanDerWaalsContact O-CA 3.23Å; I449-V485 WeakPolarHBondContact O-CA 3.47Å; I451-V485 HydrophobicContact CD1-CG1 4.05Å; I451-V485 HydrophobicContact CG1-CG1 4.47Å; L465-V485 HydrophobicContact CB-CG1 4.22Å; L465-V485 WeakPolarHBondContact O-CB 3.37Å; D483-V485 PolarHBondContact OD1-N 2.88Å; V485-Q512 PolarHBondContact O-NE2 2.89Å
486Q94.3Very high90.9Very high18 Ų1854 Ų548%0.08429%0.294CS..EExtended strand (participates in β ladder)trans-125.6121.2163.3178.268.267.900108.1I449 I450 I451 D466 V488 E508I449-Q486 PolarHBondContact O-N 2.84Å; I450-Q486 CarbonylContact C-O 3.51Å; I450-Q486 WeakPolarHBondContact CA-O 3.33Å; I451-Q486 PolarHBondContact N-O 3.43Å; D466-Q486 VanDerWaalsContact OD1-C 3.31Å; D466-Q486 WeakPolarHBondContact OD1-CA 3.47Å; Q486-V488 HydrophobicContact CG-CG2 4.01Å; Q486-E508 PolarHBondContact OE1-OE1 2.88Å
487F93.5Very high90.1Very high9 Ų952.8 Ų52.84%0.03929%0.289CS..EExtended strand (participates in β ladder)trans-102.5134171.7175.2-113.1000111.4I451 F459 M462 E463 D466 P489I451-F487 HydrophobicContact CB-CD2 4.03Å; I451-F487 HydrophobicContact CG2-CD2 3.89Å; I451-F487 HydrophobicContact CG2-CE2 4.35Å; I451-F487 WeakPolarHBondContact O-CA 3.45Å; I451-F487 WeakPolarHBondContact O-CD2 3.31Å; F459-F487 HydrophobicContact CB-CE1 3.65Å; F459-F487 HydrophobicContact CB-CE2 4.34Å; F459-F487 HydrophobicContact CB-CZ 3.36Å; F459-F487 HydrophobicContact CD1-CE2 4.21Å; F459-F487 AromaticContact CD1-CZ 3.85Å; F459-F487 HydrophobicContact CD1-CZ 3.85Å; F459-F487 AromaticContact CD2-CZ 3.93Å; F459-F487 HydrophobicContact CD2-CZ 3.93Å; F459-F487 HydrophobicContact CG-CE1 4.23Å; F459-F487 HydrophobicContact CG-CE2 4.27Å; F459-F487 AromaticContact CG-CZ 3.46Å; F459-F487 HydrophobicContact CG-CZ 3.46Å; F459-F487 VanDerWaalsContact CG-CZ 3.46Å; M462-F487 HydrophobicContact CB-CB 4.38Å; M462-F487 HydrophobicContact CB-CD1 3.92Å; M462-F487 HydrophobicContact CB-CD2 3.43Å; M462-F487 VanDerWaalsContact CB-CD2 3.43Å; M462-F487 HydrophobicContact CB-CE1 4.07Å; M462-F487 HydrophobicContact CB-CE2 3.6Å; M462-F487 HydrophobicContact CB-CG 3.61Å; M462-F487 HydrophobicContact CB-CZ 3.94Å; M462-F487 HydrophobicContact CG-CD2 4.01Å; M462-F487 HydrophobicContact CG-CE2 3.9Å; M462-F487 HydrophobicContact CG-CZ 4.47Å; E463-F487 HydrophobicContact CG-CD1 4.06Å; E463-F487 HydrophobicContact CG-CE1 4.11Å; D466-F487 HydrophobicContact CB-CB 4.1Å; D466-F487 VanDerWaalsContact CG-N 3.33Å; D466-F487 PolarHBondContact OD1-N 2.84Å; F487-P489 HydrophobicContact CE1-CB 4.23Å; F487-P489 HydrophobicContact CE1-CG 4.21Å; F487-P489 HydrophobicContact CZ-CB 3.96Å; F487-P489 HydrophobicContact CZ-CG 4.41Å
488V93.3Very high89Confident6 Ų656.3 Ų56.34%0.03630%0.303CS..EExtended strand (participates in β ladder)trans-138.8118.6174.7-175.30000110.9I451 V452 G453 Q486 F490 F493 L501 A504 V505I451-V488 PolarHBondContact O-N 3.08Å; V452-V488 VanDerWaalsContact CA-O 3.32Å; V452-V488 WeakPolarHBondContact CA-O 3.27Å; G453-V488 PolarHBondContact N-O 3.32Å; Q486-V488 HydrophobicContact CG-CG2 4.01Å; V488-F490 PolarHBondContact O-N 2.8Å; V488-F493 HydrophobicContact CG1-CD2 4.14Å; V488-F493 HydrophobicContact CG1-CE2 3.33Å; V488-F493 HydrophobicContact CG1-CZ 4.01Å; V488-L501 HydrophobicContact CG1-CD1 3.91Å; V488-A504 HydrophobicContact CG1-CB 4.12Å; V488-A504 HydrophobicContact CG2-CB 4.24Å; V488-V505 HydrophobicContact CB-CG2 3.75Å; V488-V505 HydrophobicContact CG1-CG2 4.05Å; V488-V505 HydrophobicContact CG2-CB 4.35Å; V488-V505 HydrophobicContact CG2-CG2 3.67Å
489P93.9Very high88.2Confident18 Ų1855 Ų5512%0.11731%0.306CS..EExtended strand (participates in β ladder)trans-78.3118.4172.830.6-33000110.5F459 F487 R491 N492F459-P489 HydrophobicContact CD2-CB 4.05Å; F459-P489 HydrophobicContact CE2-CB 4.27Å; F487-P489 HydrophobicContact CE1-CB 4.23Å; F487-P489 HydrophobicContact CE1-CG 4.21Å; F487-P489 HydrophobicContact CZ-CB 3.96Å; F487-P489 HydrophobicContact CZ-CG 4.41Å; P489-R491 HydrophobicContact CB-CG 4.19Å; P489-R491 PolarHBondContact O-N 3.16Å; P489-R491 VanDerWaalsContact O-N 3.12Å; P489-N492 WeakPolarHBondContact CG-ND2 3.35Å; P489-N492 WeakPolarHBondContact O-CB 3.1Å; P489-N492 PolarHBondContact O-N 2.83Å; P489-N492 VanDerWaalsContact O-N 3.11Å
490F92.8Very high87.9Confident27 Ų2754.6 Ų54.612%0.11830%0.302CS..G310 helixtrans-55.2-33.9-178.1-174.7-88000112.7Q318 A322 V452 G453 V454 V488 N492 F493 L501Q318-F490 HydrophobicContact CB-CD1 4Å; Q318-F490 HydrophobicContact CB-CE1 4.02Å; Q318-F490 HydrophobicContact CB-CG 4.43Å; Q318-F490 HydrophobicContact CB-CZ 4.44Å; Q318-F490 HydrophobicContact CG-CD1 3.84Å; Q318-F490 HydrophobicContact CG-CE1 3.71Å; Q318-F490 HydrophobicContact CG-CZ 4.47Å; A322-F490 HydrophobicContact CB-CD2 4Å; A322-F490 HydrophobicContact CB-CE2 4.22Å; V452-F490 HydrophobicContact CG1-CB 4.1Å; V452-F490 HydrophobicContact CG1-CD2 4.45Å; G453-F490 VanDerWaalsContact O-CB 3.29Å; G453-F490 WeakPolarHBondContact O-CB 3Å; G453-F490 PolarHBondContact O-N 2.91Å; V454-F490 HydrophobicContact CG1-CB 4.22Å; V488-F490 PolarHBondContact O-N 2.8Å; F490-N492 PolarHBondContact O-N 2.95Å; F490-F493 PolarHBondContact O-N 2.93Å; F490-L501 HydrophobicContact CD2-CD1 4.48Å; F490-L501 HydrophobicContact CD2-CD2 3.49Å; F490-L501 VanDerWaalsContact CD2-CD2 3.49Å; F490-L501 HydrophobicContact CE2-CD2 3.47Å; F490-L501 VanDerWaalsContact CE2-CD2 3.47Å
491R91.3Very high87.6Confident110 Ų11053.4 Ų53.442%0.41529%0.294SS..G310 helixtrans-56-24.7179.765.7-178.3175.2-152.9-4.1114.1P456 A457 P489 F493P456-R491 PolarHBondContact O-NH1 3.44Å; A457-R491 PolarHBondContact O-NH1 2.83Å; P489-R491 HydrophobicContact CB-CG 4.19Å; P489-R491 PolarHBondContact O-N 3.16Å; P489-R491 VanDerWaalsContact O-N 3.12Å; R491-F493 PolarHBondContact O-N 3.38Å
492N90.7Very high87.4Confident111 Ų11150.7 Ų50.759%0.59428%0.276SS*.G310 helixtrans-71.5-11177.9-68.25.3000113P489 F490P489-N492 WeakPolarHBondContact CG-ND2 3.35Å; P489-N492 WeakPolarHBondContact O-CB 3.1Å; P489-N492 PolarHBondContact O-N 2.83Å; P489-N492 VanDerWaalsContact O-N 3.11Å; F490-N492 PolarHBondContact O-N 2.95Å
493F89.4Confident87.1Confident41 Ų4154.6 Ų54.618%0.1829%0.294CS..G310 helixtrans-119.69.9-172.3-59.2-87.4000113.8V488 F490 R491 D495 A496 A500 L501 A504V488-F493 HydrophobicContact CG1-CD2 4.14Å; V488-F493 HydrophobicContact CG1-CE2 3.33Å; V488-F493 HydrophobicContact CG1-CZ 4.01Å; F490-F493 PolarHBondContact O-N 2.93Å; R491-F493 PolarHBondContact O-N 3.38Å; F493-D495 PolarHBondContact O-N 2.95Å; F493-A496 HydrophobicContact CB-CB 4.11Å; F493-A496 HydrophobicContact CD1-CB 4.06Å; F493-A496 PolarHBondContact O-N 3.34Å; F493-A500 HydrophobicContact CD1-CB 3.85Å; F493-A500 HydrophobicContact CE1-CB 4.15Å; F493-A500 VanDerWaalsContact CE1-O 3.3Å; F493-A500 WeakPolarHBondContact CE1-O 3.37Å; F493-L501 HydrophobicContact CB-CB 4.19Å; F493-L501 HydrophobicContact CD1-CB 4.24Å; F493-L501 HydrophobicContact CD2-CD1 3.66Å; F493-L501 HydrophobicContact CE2-CD1 4.08Å; F493-L501 HydrophobicContact CG-CB 4.04Å; F493-L501 HydrophobicContact CG-CD1 4.05Å; F493-A504 HydrophobicContact CE1-CB 3.91Å; F493-A504 HydrophobicContact CE2-CB 4.22Å; F493-A504 HydrophobicContact CZ-CB 3.36Å
494K76.1Confident87Confident170 Ų17053.4 Ų53.474%0.73929%0.292SS*.THydrogen-bonded Turntrans-56.1-37.7-176.1-170.5-179.2177.3-174.40113.3
495D79.9Confident86.6Confident158 Ų15853.3 Ų53.385%0.84529%0.292SS*.THydrogen-bonded Turntrans-1089.9179.8-55.1-49.2000112.4F493F493-D495 PolarHBondContact O-N 2.95Å
496A80.1Confident86.4Confident36 Ų3653.3 Ų53.330%0.29829%0.292SS..SBendtrans-90.7157.1-178.600000111.4F493 A500F493-A496 HydrophobicContact CB-CB 4.11Å; F493-A496 HydrophobicContact CD1-CB 4.06Å; F493-A496 PolarHBondContact O-N 3.34Å; A496-A500 HydrophobicContact CB-CB 3.86Å
497P77Confident86Confident99 Ų9954.3 Ų54.364%0.64330%0.303SS*.  trans-55.4144.6169-22.433000110.8A499 A500P497-A499 PolarHBondContact O-N 2.97Å; P497-A500 VanDerWaalsContact O-CB 3.23Å; P497-A500 WeakPolarHBondContact O-CB 3.24Å; P497-A500 PolarHBondContact O-N 3.48Å
498T69.1Low85.8Confident110 Ų11055.9 Ų55.968%0.67531%0.311SS*.Hα-helixtrans-52.9-32.8-179.3-48.90000113.2A500T498-A500 VanDerWaalsContact C-N 3.29Å; T498-A500 PolarHBondContact O-N 3.41Å
499A76.4Confident85.8Confident50 Ų5055.7 Ų55.741%0.41331%0.309SS..Hα-helixtrans-67.7-24.2177.200000113.9P497 L501 A502 Q503P497-A499 PolarHBondContact O-N 2.97Å; A499-L501 PolarHBondContact O-N 3.41Å; A499-A502 PolarHBondContact O-N 3.18Å; A499-Q503 WeakPolarHBondContact O-CB 3.28Å; A499-Q503 PolarHBondContact O-N 3.38Å
500A86.5Confident85.8Confident22 Ų2255.8 Ų55.818%0.18231%0.31CS..Hα-helixtrans-67.8-36.8-175.900000112.4F493 A496 P497 T498 Q503 A504F493-A500 HydrophobicContact CD1-CB 3.85Å; F493-A500 HydrophobicContact CE1-CB 4.15Å; F493-A500 VanDerWaalsContact CE1-O 3.3Å; F493-A500 WeakPolarHBondContact CE1-O 3.37Å; A496-A500 HydrophobicContact CB-CB 3.86Å; P497-A500 VanDerWaalsContact O-CB 3.23Å; P497-A500 WeakPolarHBondContact O-CB 3.24Å; P497-A500 PolarHBondContact O-N 3.48Å; T498-A500 VanDerWaalsContact C-N 3.29Å; T498-A500 PolarHBondContact O-N 3.41Å; A500-Q503 PolarHBondContact O-N 2.93Å; A500-A504 PolarHBondContact O-N 2.76Å
501L88.2Confident85.7Confident4 Ų459.8 Ų59.82%0.02133%0.333CS..Hα-helixtrans-65.1-48175.2176.863.3000110.6A322 V488 F490 F493 A499 Q503 A504 V505A322-L501 HydrophobicContact CB-CD2 4.36Å; V488-L501 HydrophobicContact CG1-CD1 3.91Å; F490-L501 HydrophobicContact CD2-CD1 4.48Å; F490-L501 HydrophobicContact CD2-CD2 3.49Å; F490-L501 VanDerWaalsContact CD2-CD2 3.49Å; F490-L501 HydrophobicContact CE2-CD2 3.47Å; F490-L501 VanDerWaalsContact CE2-CD2 3.47Å; F493-L501 HydrophobicContact CB-CB 4.19Å; F493-L501 HydrophobicContact CD1-CB 4.24Å; F493-L501 HydrophobicContact CD2-CD1 3.66Å; F493-L501 HydrophobicContact CE2-CD1 4.08Å; F493-L501 HydrophobicContact CG-CB 4.04Å; F493-L501 HydrophobicContact CG-CD1 4.05Å; A499-L501 PolarHBondContact O-N 3.41Å; L501-Q503 PolarHBondContact O-N 3.36Å; L501-A504 PolarHBondContact O-N 3.45Å; L501-V505 HydrophobicContact CD1-CG2 3.81Å; L501-V505 HydrophobicContact CG-CG2 4.22Å; L501-V505 VanDerWaalsContact O-CB 3.29Å; L501-V505 WeakPolarHBondContact O-CB 3.36Å; L501-V505 WeakPolarHBondContact O-CG2 3.12Å; L501-V505 PolarHBondContact O-N 3.23Å
502A87.9Confident85.9Confident3 Ų355 Ų553%0.02532%0.315CS..Hα-helixtrans-59.1-40.1176.800000111.2S325 V329 A499 V505 L506S325-A502 WeakPolarHBondContact O-CB 3.44Å; V329-A502 HydrophobicContact CG2-CB 4Å; A499-A502 PolarHBondContact O-N 3.18Å; A502-V505 PolarHBondContact O-N 3.27Å; A502-L506 WeakPolarHBondContact O-CB 3.43Å; A502-L506 WeakPolarHBondContact O-CG 3.12Å; A502-L506 PolarHBondContact O-N 3.06Å
503Q87.6Confident86.1Confident97 Ų9749.7 Ų49.745%0.45329%0.287SS..Hα-helixtrans-58.8-49174.8179.516247.500113.9E68 A499 A500 L501 A507E68-Q503 HydrophobicContact CB-CB 4.31Å; E68-Q503 HydrophobicContact CG-CB 3.74Å; E68-Q503 HydrophobicContact CG-CG 3.79Å; E68-Q503 PolarHBondContact OE1-NE2 3.2Å; A499-Q503 WeakPolarHBondContact O-CB 3.28Å; A499-Q503 PolarHBondContact O-N 3.38Å; A500-Q503 PolarHBondContact O-N 2.93Å; L501-Q503 PolarHBondContact O-N 3.36Å; Q503-A507 WeakPolarHBondContact O-CB 3.16Å; Q503-A507 PolarHBondContact O-N 2.9Å
504A88.9Confident86.4Confident30 Ų3049.1 Ų49.125%0.24829%0.287CS..Hα-helixtrans-66.3-42.4177.300000111.8V488 F493 A500 L501V488-A504 HydrophobicContact CG1-CB 4.12Å; V488-A504 HydrophobicContact CG2-CB 4.24Å; F493-A504 HydrophobicContact CE1-CB 3.91Å; F493-A504 HydrophobicContact CE2-CB 4.22Å; F493-A504 HydrophobicContact CZ-CB 3.36Å; A500-A504 PolarHBondContact O-N 2.76Å; L501-A504 PolarHBondContact O-N 3.45Å
505V87.2Confident87.2Confident0 Ų043.7 Ų43.70%027%0.27CS..Hα-helixtrans-69.2-36.6-175.4167.40000113V326 I450 V452 V488 L501 A502V326-V505 HydrophobicContact CB-CG1 4.38Å; V326-V505 HydrophobicContact CG1-CG1 3.94Å; V326-V505 HydrophobicContact CG2-CB 4.03Å; V326-V505 HydrophobicContact CG2-CG1 3.48Å; V326-V505 VanDerWaalsContact CG2-CG1 3.48Å; V326-V505 HydrophobicContact CG2-CG2 4.19Å; I450-V505 HydrophobicContact CB-CG1 4.42Å; I450-V505 HydrophobicContact CD1-CG1 3.91Å; I450-V505 HydrophobicContact CG1-CG1 4.4Å; I450-V505 HydrophobicContact CG2-CG1 3.28Å; V452-V505 HydrophobicContact CG2-CG2 3.88Å; V488-V505 HydrophobicContact CB-CG2 3.75Å; V488-V505 HydrophobicContact CG1-CG2 4.05Å; V488-V505 HydrophobicContact CG2-CB 4.35Å; V488-V505 HydrophobicContact CG2-CG2 3.67Å; L501-V505 HydrophobicContact CD1-CG2 3.81Å; L501-V505 HydrophobicContact CG-CG2 4.22Å; L501-V505 VanDerWaalsContact O-CB 3.29Å; L501-V505 WeakPolarHBondContact O-CB 3.36Å; L501-V505 WeakPolarHBondContact O-CG2 3.12Å; L501-V505 PolarHBondContact O-N 3.23Å; A502-V505 PolarHBondContact O-N 3.27Å
506L89.6Confident87.9Confident0 Ų036.4 Ų36.40%023%0.231CC..Hα-helixtrans-100.4-0.1-173.2-66.5175.2000113.4F67 E68 V326 V329 V330 I450 A502 E508 V509 P510F67-L506 HydrophobicContact CD1-CB 4.11Å; F67-L506 HydrophobicContact CE1-CB 3.71Å; F67-L506 HydrophobicContact CE1-CD1 4.48Å; F67-L506 HydrophobicContact CE1-CD2 4.19Å; F67-L506 HydrophobicContact CE1-CG 4.35Å; F67-L506 WeakPolarHBondContact CE1-O 3.27Å; F67-L506 HydrophobicContact CZ-CD2 4.46Å; E68-L506 HydrophobicContact CB-CB 4.14Å; V326-L506 HydrophobicContact CG1-CD2 4.08Å; V326-L506 HydrophobicContact CG1-CG 4.45Å; V329-L506 HydrophobicContact CB-CD1 3.48Å; V329-L506 VanDerWaalsContact CB-CD1 3.48Å; V329-L506 HydrophobicContact CG1-CD1 3.4Å; V329-L506 VanDerWaalsContact CG1-CD1 3.4Å; V329-L506 HydrophobicContact CG2-CD1 4.06Å; V330-L506 HydrophobicContact CG2-CD1 4.09Å; V330-L506 HydrophobicContact CG2-CD2 3.61Å; I450-L506 HydrophobicContact CD1-CD2 3.8Å; A502-L506 WeakPolarHBondContact O-CB 3.43Å; A502-L506 WeakPolarHBondContact O-CG 3.12Å; A502-L506 PolarHBondContact O-N 3.06Å; L506-E508 PolarHBondContact O-N 3.09Å; L506-E508 VanDerWaalsContact O-N 3.15Å; L506-V509 HydrophobicContact CD2-CG2 4.21Å; L506-V509 PolarHBondContact O-N 2.85Å; L506-P510 WeakPolarHBondContact O-CD 3.43Å
507A86.4Confident88.7Confident40 Ų4034.9 Ų34.933%0.33122%0.217SC..SBendtrans-53.7-37.5-174.800000113.3Q503Q503-A507 WeakPolarHBondContact O-CB 3.16Å; Q503-A507 PolarHBondContact O-N 2.9Å
508E89.6Confident89.4Confident41 Ų4137.6 Ų37.619%0.19222%0.219CC..SBendtrans-96.2-23-171.7-70.7-161.6176.700115.4Q486 L506 P510 N511 Q512Q486-E508 PolarHBondContact OE1-OE1 2.88Å; L506-E508 PolarHBondContact O-N 3.09Å; L506-E508 VanDerWaalsContact O-N 3.15Å; E508-P510 VanDerWaalsContact C-CD 3.44Å; E508-P510 VanDerWaalsContact C-N 3.29Å; E508-P510 VanDerWaalsContact O-N 3.17Å; E508-N511 PolarHBondContact O-N 2.89Å; E508-Q512 HydrophobicContact CB-CG 4.19Å; E508-Q512 WeakPolarHBondContact O-CG 3.08Å; E508-Q512 PolarHBondContact O-N 2.87Å; E508-Q512 PolarHBondContact OE2-NE2 2.87Å
509V93.1Very high90.4Very high2 Ų236.5 Ų36.51%0.01221%0.208CC..Hα-helixtrans-51.9-43.1-175.5177.60000112.3F67 V420 I450 L506 N511 Q512 L513F67-V509 HydrophobicContact CE1-CB 3.92Å; F67-V509 HydrophobicContact CE1-CG1 4.27Å; F67-V509 HydrophobicContact CZ-CB 4.3Å; F67-V509 HydrophobicContact CZ-CG1 4.14Å; V420-V509 HydrophobicContact CG2-CG1 3.99Å; I450-V509 HydrophobicContact CD1-CG2 3.97Å; I450-V509 HydrophobicContact CG1-CG2 4.48Å; L506-V509 HydrophobicContact CD2-CG2 4.21Å; L506-V509 PolarHBondContact O-N 2.85Å; V509-N511 PolarHBondContact O-N 2.84Å; V509-Q512 PolarHBondContact O-N 2.87Å; V509-L513 WeakPolarHBondContact O-CB 3.38Å; V509-L513 PolarHBondContact O-N 2.89Å
510P93.3Very high91.2Very high21 Ų2140.2 Ų40.214%0.13621%0.211CC..Hα-helixtrans-57.4-44.7176-2838000113.6F67 F277 L506 E508 V514F67-P510 HydrophobicContact CB-CG 4.07Å; F67-P510 HydrophobicContact CD1-CG 3.36Å; F67-P510 HydrophobicContact CE1-CG 3.89Å; F67-P510 HydrophobicContact CG-CG 3.74Å; F277-P510 HydrophobicContact CB-CB 3.81Å; F277-P510 HydrophobicContact CD1-CB 4.48Å; F277-P510 HydrophobicContact CD2-CB 3.9Å; F277-P510 HydrophobicContact CD2-CG 4.4Å; F277-P510 HydrophobicContact CG-CB 3.81Å; F277-P510 HydrophobicContact CG-CG 4.38Å; L506-P510 WeakPolarHBondContact O-CD 3.43Å; E508-P510 VanDerWaalsContact C-CD 3.44Å; E508-P510 VanDerWaalsContact C-N 3.29Å; E508-P510 VanDerWaalsContact O-N 3.17Å; P510-V514 VanDerWaalsContact O-CG2 3.3Å; P510-V514 WeakPolarHBondContact O-CG2 3.35Å; P510-V514 PolarHBondContact O-N 2.89Å; P510-V514 VanDerWaalsContact O-N 3.09Å
511N92.3Very high91.4Very high111 Ų11142.2 Ų42.259%0.59423%0.233SC*.Hα-helixtrans-71.4-41.1-179.7-72.3-30.4000111.6E508 V509 L513 V514 S515E508-N511 PolarHBondContact O-N 2.89Å; V509-N511 PolarHBondContact O-N 2.84Å; N511-L513 VanDerWaalsContact C-N 3.3Å; N511-L513 PolarHBondContact O-N 3.45Å; N511-V514 PolarHBondContact O-N 3.26Å; N511-S515 WeakPolarHBondContact O-CB 3.35Å; N511-S515 PolarHBondContact O-N 3.04Å
512Q94.8Very high91.6Very high8 Ų843.8 Ų43.84%0.03724%0.241CC..Hα-helixtrans-62.4-37.9177.5-66.2177.6-1.500111.3Y418 S448 R482 V485 E508 V509 Y516Y418-Q512 VanDerWaalsContact OH-C 3.27Å; Y418-Q512 PolarHBondContact OH-O 2.95Å; S448-Q512 VanDerWaalsContact CB-OE1 3.22Å; S448-Q512 PolarHBondContact OG-OE1 3.38Å; R482-Q512 PolarHBondContact NH1-O 3.21Å; V485-Q512 PolarHBondContact O-NE2 2.89Å; E508-Q512 HydrophobicContact CB-CG 4.19Å; E508-Q512 WeakPolarHBondContact O-CG 3.08Å; E508-Q512 PolarHBondContact O-N 2.87Å; E508-Q512 PolarHBondContact OE2-NE2 2.87Å; V509-Q512 PolarHBondContact O-N 2.87Å; Q512-Y516 PolarHBondContact O-N 2.9Å; Q512-Y516 VanDerWaalsContact O-N 3.13Å
513L95.6Very high91.9Very high0 Ų049.4 Ų49.40%027%0.267CS..Hα-helixtrans-66.1-52.8174.3-177.4152.7000112F277 F280 I287 Y418 V509 N511 S515 Y516 F517F277-L513 HydrophobicContact CD2-CB 4.45Å; F277-L513 HydrophobicContact CD2-CD1 4.17Å; F277-L513 HydrophobicContact CD2-CD2 4.21Å; F277-L513 HydrophobicContact CE2-CD1 3.95Å; F280-L513 HydrophobicContact CB-CD2 3.89Å; F280-L513 HydrophobicContact CD2-CD2 3.79Å; F280-L513 HydrophobicContact CG-CD2 3.9Å; I287-L513 HydrophobicContact CD1-CD1 4.47Å; I287-L513 HydrophobicContact CG1-CD1 4.48Å; Y418-L513 HydrophobicContact CD1-CB 4.3Å; Y418-L513 HydrophobicContact CD1-CD1 3.92Å; Y418-L513 HydrophobicContact CD1-CG 4.3Å; Y418-L513 HydrophobicContact CD2-CB 4.22Å; Y418-L513 HydrophobicContact CD2-CD1 4.11Å; Y418-L513 HydrophobicContact CD2-CG 3.84Å; Y418-L513 HydrophobicContact CE1-CB 4.12Å; Y418-L513 HydrophobicContact CE2-CB 4.06Å; Y418-L513 HydrophobicContact CE2-CG 4.16Å; Y418-L513 HydrophobicContact CG-CB 4.33Å; Y418-L513 HydrophobicContact CG-CD1 3.65Å; Y418-L513 HydrophobicContact CG-CG 3.91Å; Y418-L513 PolarHBondContact OH-N 2.88Å; V509-L513 WeakPolarHBondContact O-CB 3.38Å; V509-L513 PolarHBondContact O-N 2.89Å; N511-L513 VanDerWaalsContact C-N 3.3Å; N511-L513 PolarHBondContact O-N 3.45Å; L513-S515 VanDerWaalsContact C-N 3.28Å; L513-S515 PolarHBondContact O-N 2.61Å; L513-Y516 PolarHBondContact O-N 2.82Å; L513-F517 HydrophobicContact CD1-CE2 4.36Å; L513-F517 HydrophobicContact CD2-CD2 3.62Å; L513-F517 HydrophobicContact CD2-CE2 3.69Å; L513-F517 HydrophobicContact CG-CD2 4.05Å; L513-F517 HydrophobicContact CG-CE2 3.79Å; L513-F517 PolarHBondContact O-N 3.01Å; L513-F517 VanDerWaalsContact O-N 3.16Å
514V94.3Very high92Very high30 Ų3045.6 Ų45.618%0.18225%0.251CS..Hα-helixtrans-60.9-41.4-179.9171.80000110.6Y275 F277 F280 P510 N511 Y516 F517 K518Y275-V514 WeakPolarHBondContact O-CG1 3.46Å; F277-V514 HydrophobicContact CB-CG2 4.23Å; F280-V514 HydrophobicContact CD2-CG2 4.17Å; F280-V514 HydrophobicContact CE2-CG2 4.2Å; P510-V514 VanDerWaalsContact O-CG2 3.3Å; P510-V514 WeakPolarHBondContact O-CG2 3.35Å; P510-V514 PolarHBondContact O-N 2.89Å; P510-V514 VanDerWaalsContact O-N 3.09Å; N511-V514 PolarHBondContact O-N 3.26Å; V514-Y516 PolarHBondContact O-N 3.04Å; V514-F517 PolarHBondContact O-N 3Å; V514-K518 WeakPolarHBondContact O-CB 3.48Å; V514-K518 PolarHBondContact O-N 3.49Å
515S93.5Very high91.9Very high55 Ų5548 Ų4839%0.38526%0.257SS..Hα-helixtrans-58.7-45.2176.9-177.40000111.8N511 L513 M519N511-S515 WeakPolarHBondContact O-CB 3.35Å; N511-S515 PolarHBondContact O-N 3.04Å; L513-S515 VanDerWaalsContact C-N 3.28Å; L513-S515 PolarHBondContact O-N 2.61Å; S515-M519 WeakPolarHBondContact O-CB 3.42Å; S515-M519 PolarHBondContact O-N 2.69Å
516Y95.6Very high91.4Very high5 Ų557 Ų572%0.0230%0.296CS..Hα-helixtrans-61.1-53.2177.5170.7-98.1000112.4Y418 L445 P446 Q512 L513 V514 K518 M519 R520Y418-Y516 HydrophobicContact CD2-CD1 4.28Å; Y418-Y516 HydrophobicContact CE2-CD1 4.13Å; Y418-Y516 HydrophobicContact CE2-CG 4.14Å; L445-Y516 VanDerWaalsContact O-CD2 3.24Å; L445-Y516 WeakPolarHBondContact O-CD2 2.92Å; L445-Y516 WeakPolarHBondContact O-CE2 3.44Å; P446-Y516 HydrophobicContact CB-CD1 3.89Å; P446-Y516 HydrophobicContact CB-CE1 3.44Å; P446-Y516 VanDerWaalsContact CB-CE1 3.44Å; P446-Y516 HydrophobicContact CB-CE2 4.24Å; P446-Y516 HydrophobicContact CB-CG 4.47Å; P446-Y516 WeakPolarHBondContact CD-OH 3.3Å; P446-Y516 HydrophobicContact CG-CE1 4.28Å; Q512-Y516 PolarHBondContact O-N 2.9Å; Q512-Y516 VanDerWaalsContact O-N 3.13Å; L513-Y516 PolarHBondContact O-N 2.82Å; V514-Y516 PolarHBondContact O-N 3.04Å; Y516-K518 VanDerWaalsContact C-N 3.31Å; Y516-K518 PolarHBondContact O-N 3.04Å; Y516-M519 HydrophobicContact CD2-CE 3.9Å; Y516-M519 HydrophobicContact CE2-CE 4.24Å; Y516-M519 WeakPolarHBondContact O-CB 3.47Å; Y516-M519 PolarHBondContact O-N 2.91Å; Y516-R520 HydrophobicContact CD2-CG 4.32Å; Y516-R520 HydrophobicContact CE1-CG 4.06Å; Y516-R520 HydrophobicContact CE2-CG 3.78Å; Y516-R520 WeakPolarHBondContact O-CG 3.49Å; Y516-R520 PolarHBondContact O-N 3.07Å
517F95.1Very high90.1Very high4 Ų460.7 Ų60.72%0.01831%0.313CS..Hα-helixtrans-66.9-35-177.3-70.9-55.1000112.1F280 A415 Y418 L513 V514 R520 G521 L522F280-F517 HydrophobicContact CD1-CB 4.36Å; F280-F517 AromaticContact CD1-CD2 3.6Å; F280-F517 HydrophobicContact CD1-CD2 3.6Å; F280-F517 HydrophobicContact CD1-CE2 4.11Å; F280-F517 HydrophobicContact CD1-CG 4.09Å; F280-F517 HydrophobicContact CD2-CD2 4.32Å; F280-F517 HydrophobicContact CE1-CB 3.49Å; F280-F517 VanDerWaalsContact CE1-CB 3.49Å; F280-F517 AromaticContact CE1-CD2 3.62Å; F280-F517 HydrophobicContact CE1-CD2 3.62Å; F280-F517 AromaticContact CE1-CG 3.66Å; F280-F517 HydrophobicContact CE1-CG 3.66Å; F280-F517 HydrophobicContact CE2-CB 4.21Å; F280-F517 HydrophobicContact CE2-CD2 4.34Å; F280-F517 AromaticContact CG-CD2 3.99Å; F280-F517 HydrophobicContact CG-CD2 3.99Å; F280-F517 HydrophobicContact CG-CE2 4.45Å; F280-F517 HydrophobicContact CZ-CB 3.41Å; F280-F517 VanDerWaalsContact CZ-CB 3.41Å; F280-F517 HydrophobicContact CZ-CD2 4.02Å; F280-F517 HydrophobicContact CZ-CG 4.03Å; A415-F517 VanDerWaalsContact CA-CE1 3.45Å; A415-F517 HydrophobicContact CB-CD1 3.46Å; A415-F517 VanDerWaalsContact CB-CD1 3.46Å; A415-F517 HydrophobicContact CB-CD2 4.07Å; A415-F517 HydrophobicContact CB-CE1 3.49Å; A415-F517 VanDerWaalsContact CB-CE1 3.49Å; A415-F517 HydrophobicContact CB-CE2 4.08Å; A415-F517 HydrophobicContact CB-CG 3.78Å; A415-F517 HydrophobicContact CB-CZ 3.81Å; Y418-F517 HydrophobicContact CD2-CE2 4.23Å; Y418-F517 HydrophobicContact CD2-CZ 4.34Å; L513-F517 HydrophobicContact CD1-CE2 4.36Å; L513-F517 HydrophobicContact CD2-CD2 3.62Å; L513-F517 HydrophobicContact CD2-CE2 3.69Å; L513-F517 HydrophobicContact CG-CD2 4.05Å; L513-F517 HydrophobicContact CG-CE2 3.79Å; L513-F517 PolarHBondContact O-N 3.01Å; L513-F517 VanDerWaalsContact O-N 3.16Å; V514-F517 PolarHBondContact O-N 3Å; F517-R520 CarbonylContact O-C 3.56Å; F517-R520 PolarHBondContact O-N 3.18Å; F517-G521 PolarHBondContact O-N 3.29Å; F517-L522 HydrophobicContact CB-CB 4.43Å; F517-L522 HydrophobicContact CD1-CB 4.13Å; F517-L522 HydrophobicContact CD1-CD1 4.02Å; F517-L522 HydrophobicContact CE1-CD1 4.43Å; F517-L522 PolarHBondContact O-N 3.19Å
518K91.7Very high88.2Confident156 Ų15667.7 Ų67.768%0.67834%0.339SS*.Hα-helixtrans-61.7-45.1171.5-175.6177.4-179.2177.90112.2V514 Y516 R520 G521V514-K518 WeakPolarHBondContact O-CB 3.48Å; V514-K518 PolarHBondContact O-N 3.49Å; Y516-K518 VanDerWaalsContact C-N 3.31Å; Y516-K518 PolarHBondContact O-N 3.04Å; K518-R520 PolarHBondContact O-N 3.43Å; K518-G521 PolarHBondContact O-N 3.02Å; K518-G521 VanDerWaalsContact O-N 3.08Å
519M91.7Very high85.9Confident88 Ų8870.1 Ų70.143%0.43337%0.367SS..Hα-helixtrans-59.5-36.4175.2178-172.869.300111.7S515 Y516 G521S515-M519 WeakPolarHBondContact O-CB 3.42Å; S515-M519 PolarHBondContact O-N 2.69Å; Y516-M519 HydrophobicContact CD2-CE 3.9Å; Y516-M519 HydrophobicContact CE2-CE 4.24Å; Y516-M519 WeakPolarHBondContact O-CB 3.47Å; Y516-M519 PolarHBondContact O-N 2.91Å; M519-G521 VanDerWaalsContact C-N 3.32Å
520R92.6Very high83.4Confident128 Ų12874 Ų7448%0.48340%0.399SS..Hα-helixtrans-80.5-9.2177-65.1-65.3-64.4175-4.9114.1Y516 F517 K518 L522Y516-R520 HydrophobicContact CD2-CG 4.32Å; Y516-R520 HydrophobicContact CE1-CG 4.06Å; Y516-R520 HydrophobicContact CE2-CG 3.78Å; Y516-R520 WeakPolarHBondContact O-CG 3.49Å; Y516-R520 PolarHBondContact O-N 3.07Å; F517-R520 CarbonylContact O-C 3.56Å; F517-R520 PolarHBondContact O-N 3.18Å; K518-R520 PolarHBondContact O-N 3.43Å; R520-L522 HydrophobicContact CB-CB 4.49Å; R520-L522 HydrophobicContact CB-CD1 3.94Å; R520-L522 HydrophobicContact CB-CG 3.87Å; R520-L522 PolarHBondContact O-N 2.79Å
521G91.6Very high80.3Confident63 Ų6378.8 Ų78.865%0.64943%0.43SS*.THydrogen-bonded Turntrans65.227.9-173.300000113.2F517 K518 M519F517-G521 PolarHBondContact O-N 3.29Å; K518-G521 PolarHBondContact O-N 3.02Å; K518-G521 VanDerWaalsContact O-N 3.08Å; M519-G521 VanDerWaalsContact C-N 3.32Å
522L92.4Very high77.4Confident37 Ų3783.6 Ų83.619%0.19445%0.446CS..PPolyproline II helixtrans-96.1128.9179.3-66.1175.8000110.2A415 F517 R520A415-L522 HydrophobicContact CB-CB 4.23Å; F517-L522 HydrophobicContact CB-CB 4.43Å; F517-L522 HydrophobicContact CD1-CB 4.13Å; F517-L522 HydrophobicContact CD1-CD1 4.02Å; F517-L522 HydrophobicContact CE1-CD1 4.43Å; F517-L522 PolarHBondContact O-N 3.19Å; R520-L522 HydrophobicContact CB-CB 4.49Å; R520-L522 HydrophobicContact CB-CD1 3.94Å; R520-L522 HydrophobicContact CB-CG 3.87Å; R520-L522 PolarHBondContact O-N 2.79Å
523E92.6Very high74.5Confident121 Ų12192.1 Ų92.157%0.56551%0.506SS*.PPolyproline II helixtrans-93.7153.5175.3-56.5-173.5169.800110.5Y275Y275-E523 HydrophobicContact CE2-CB 3.9Å; Y275-E523 HydrophobicContact CE2-CG 3.68Å; Y275-E523 VanDerWaalsContact OH-CD 3.27Å; Y275-E523 PolarHBondContact OH-OE2 3.23Å
524P90.4Very high73.4Confident17 Ų1796.8 Ų96.811%0.1153%0.531CS..PPolyproline II helixtrans-55.2142.8168.7-23.232.7000111.8Y275 D279 F280 K526Y275-P524 HydrophobicContact CD1-CG 3.41Å; Y275-P524 VanDerWaalsContact CD1-CG 3.41Å; Y275-P524 HydrophobicContact CD2-CG 4.36Å; Y275-P524 HydrophobicContact CE1-CG 3.98Å; Y275-P524 HydrophobicContact CG-CG 3.6Å; D279-P524 HydrophobicContact CB-CB 4.28Å; D279-P524 HydrophobicContact CB-CG 3.73Å; D279-P524 WeakPolarHBondContact O-CB 3.25Å; F280-P524 HydrophobicContact CD1-CB 4.08Å; F280-P524 HydrophobicContact CD1-CG 3.65Å; F280-P524 HydrophobicContact CD2-CG 4.23Å; F280-P524 HydrophobicContact CE1-CB 4.37Å; F280-P524 HydrophobicContact CE1-CG 3.64Å; F280-P524 HydrophobicContact CE2-CG 4.2Å; F280-P524 HydrophobicContact CG-CG 3.94Å; F280-P524 HydrophobicContact CZ-CG 3.91Å; P524-K526 PolarHBondContact O-N 3.17Å
525Q87.7Confident72.3Confident81 Ų81100.3 Ų100.338%0.37955%0.55SS..PPolyproline II helixtrans-68.7138.2176.1-57-178.4-31.300110G283 T414 Q527G283-Q525 WeakPolarHBondContact CA-O 3.31Å; G283-Q525 WeakPolarHBondContact O-CB 3.18Å; G283-Q525 PolarHBondContact O-OE1 2.8Å; T414-Q525 HydrophobicContact CG2-CG 4.13Å; T414-Q525 PolarHBondContact OG1-NE2 2.93Å; T414-Q525 VanDerWaalsContact OG1-NE2 3.15Å; Q525-Q527 PolarHBondContact O-N 3.14Å
526K76.4Confident71.1Confident188 Ų188102.8 Ų102.882%0.81756%0.559SS**  trans-78.5106.9166.9-64.8179.4-176.1175.90107.3P524 Q528P524-K526 PolarHBondContact O-N 3.17Å; K526-Q528 PolarHBondContact O-N 3.43Å; K526-Q528 VanDerWaalsContact O-N 3.08Å
527Q61.1Low69.7Low78 Ų78108.5 Ų108.536%0.36459%0.591SS.*PPolyproline II helixtrans-57.3118.7169.3-71.6-168.7-800108.3M282 Q525 A529M282-Q527 VanDerWaalsContact O-CD 3.24Å; M282-Q527 PolarHBondContact O-NE2 3.17Å; Q525-Q527 PolarHBondContact O-N 3.14Å; Q527-A529 PolarHBondContact O-N 3.36Å
528Q46.5Very low68.1Low187 Ų187115.1 Ų115.187%0.87463%0.627SS**PPolyproline II helixtrans-61.8126.1169.9-70.6-179.93.900106.8K526 A530K526-Q528 PolarHBondContact O-N 3.43Å; K526-Q528 VanDerWaalsContact O-N 3.08Å; Q528-A530 PolarHBondContact O-N 3.17Å
529A42.1Very low66.5Low93 Ų93112.3 Ų112.377%0.76962%0.623SS**PPolyproline II helixtrans-52.5131.7172.100000108Q527Q527-A529 PolarHBondContact O-N 3.36Å
530A39.8Very low64.7Low84 Ų84114.1 Ų114.169%0.69464%0.637SS**PPolyproline II helixtrans-48.3132.6170.600000107.7Q528 K532Q528-A530 PolarHBondContact O-N 3.17Å; A530-K532 PolarHBondContact O-N 3.26Å; A530-K532 VanDerWaalsContact O-N 3.09Å
531P28Very low62.6Low121 Ų121113 Ų11379%0.78665%0.649SS**PPolyproline II helixtrans-53.1126.3177.720-29.6000107.5S533P531-S533 PolarHBondContact O-N 3Å
532K32.5Very low60.2Low212 Ų212117.2 Ų117.292%0.92265%0.648SS**  trans-56.8106.2171.9-68.7-176.6178.1-176.60106.4A530A530-K532 PolarHBondContact O-N 3.26Å; A530-K532 VanDerWaalsContact O-N 3.09Å
533S32.8Very low57.3Low187 Ų187124.5 Ų124.5100%1.30869%0.69SS**  trans-70.5017353.60000110.6P531P531-S533 PolarHBondContact O-N 3Å

Retrieved 533 of 533 residues in 1517.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).