A0A077Z621_TRITR Loading...

sn-1-specific diacylglycerol lipase ABHD11

AlphaFold DB , UniProt , Accession A0A077Z621, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 271 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M83.8Confident91.3Very high115 Ų11572.8 Ų72.857%0.56740%0.396SS*.  0144.80-168.4178.5105.200108.2T3 Y4 P58 L75 Y78M1-T3 PolarHBondContact O-N 2.81Å; M1-Y4 HydrophobicContact CE-CE1 4.27Å; M1-P58 VanDerWaalsContact O-CD 3.26Å; M1-P58 WeakPolarHBondContact O-CD 3.23Å; M1-L75 HydrophobicContact CE-CD1 4.18Å; M1-Y78 HydrophobicContact CE-CD1 3.4Å; M1-Y78 HydrophobicContact CE-CD2 4.15Å; M1-Y78 HydrophobicContact CE-CE1 3.53Å; M1-Y78 HydrophobicContact CE-CE2 4.25Å; M1-Y78 HydrophobicContact CE-CG 3.73Å; M1-Y78 HydrophobicContact SD-CD1 4.23Å; M1-Y78 HydrophobicContact SD-CD2 3.95Å; M1-Y78 HydrophobicContact SD-CE2 4.26Å; M1-Y78 HydrophobicContact SD-CG 3.92Å
2T93Very high91.3Very high6 Ų673 Ų734%0.03740%0.397CS..  trans-52.7131.9171-76.40000111.3A49 D50 S57 D71 L75T2-A49 HydrophobicContact CG2-CB 3.89Å; T2-D50 WeakPolarHBondContact CG2-O 3.07Å; T2-S57 WeakPolarHBondContact CA-OG 3.07Å; T2-D71 WeakPolarHBondContact OG1-CB 3.28Å; T2-L75 HydrophobicContact CG2-CD2 3.85Å
3T96.1Very high91Very high37 Ų3775.9 Ų75.923%0.22742%0.422CS..  trans-88.5154.6175.972.20000111.3M1 K28 A49 D50 D56 S57M1-T3 PolarHBondContact O-N 2.81Å; T3-K28 PolarHBondContact OG1-NZ 2.64Å; T3-A49 WeakPolarHBondContact O-CA 3.47Å; T3-D50 PolarHBondContact O-N 2.8Å; T3-D50 PolarHBondContact OG1-OD2 2.6Å; T3-D56 HydrophobicContact CG2-CB 4.31Å; T3-D56 VanDerWaalsContact CG2-O 3.24Å; T3-D56 WeakPolarHBondContact CG2-O 3.27Å; T3-S57 PolarHBondContact N-OG 2.89Å
4Y97.8Very high90.8Very high78 Ų7877.2 Ų77.231%0.30644%0.438SS..EExtended strand (participates in β ladder)trans-147.4164.2-176.667.2-84.5000111.7M1 Y47 T48 L75 Y78 L79M1-Y4 HydrophobicContact CE-CE1 4.27Å; Y4-Y47 AromaticContact CD2-CD1 3.96Å; Y4-Y47 HydrophobicContact CD2-CD1 3.96Å; Y4-Y47 HydrophobicContact CD2-CE1 4.48Å; Y4-Y47 HydrophobicContact CE2-CD1 4.31Å; Y4-Y47 HydrophobicContact CE2-CE1 4.39Å; Y4-T48 CarbonylContact C-O 3.52Å; Y4-T48 WeakPolarHBondContact CA-O 3.4Å; Y4-T48 WeakPolarHBondContact CB-O 3.12Å; Y4-L75 HydrophobicContact CD1-CD1 3.46Å; Y4-L75 VanDerWaalsContact CD1-CD1 3.46Å; Y4-L75 HydrophobicContact CE1-CD1 4.05Å; Y4-L75 HydrophobicContact CG-CD1 4.09Å; Y4-Y78 HydrophobicContact CE1-CD1 4.44Å; Y4-Y78 HydrophobicContact CE1-CE1 4.06Å; Y4-L79 HydrophobicContact CD1-CD2 4.45Å; Y4-L79 HydrophobicContact CD2-CD2 4.26Å; Y4-L79 HydrophobicContact CE1-CD2 3.88Å; Y4-L79 HydrophobicContact CE2-CD2 3.66Å; Y4-L79 VanDerWaalsContact CZ-CD2 3.45Å
5E96.6Very high90.8Very high56 Ų5673.7 Ų73.726%0.26242%0.42SS..EExtended strand (participates in β ladder)trans-122.7154.1165-78.2173.2-152.100108.2K28 R32 Y47 T48E5-K28 HydrophobicContact CB-CD 4.35Å; E5-K28 HydrophobicContact CG-CD 3.92Å; E5-K28 HydrophobicContact CG-CG 4.46Å; E5-R32 VanDerWaalsContact CD-NH2 3.29Å; E5-R32 IonicContact OE1-CZ 3.34Å; E5-R32 IonicContact OE1-NH2 2.99Å; E5-R32 PolarHBondContact OE1-NH2 2.65Å; E5-R32 IonicContact OE2-CZ 3.88Å; E5-R32 IonicContact OE2-NE 2.82Å; E5-R32 PolarHBondContact OE2-NE 2.98Å; E5-R32 IonicContact OE2-NH2 2.73Å; E5-R32 PolarHBondContact OE2-NH2 2.83Å; E5-Y47 CarbonylContact O-C 3.5Å; E5-Y47 VanDerWaalsContact O-CA 3.26Å; E5-Y47 WeakPolarHBondContact O-CA 3.18Å; E5-T48 PolarHBondContact N-O 2.89Å; E5-T48 PolarHBondContact O-N 2.94Å
6V96.3Very high90.9Very high70 Ų7074.2 Ų74.242%0.42441%0.413SS..EExtended strand (participates in β ladder)trans-125.9141.5172.564.90000108.9R45 I46 Y47V6-R45 HydrophobicContact CG2-CG 3.71Å; V6-I46 WeakPolarHBondContact CA-O 3.41Å; V6-Y47 HydrophobicContact CB-CD1 3.83Å; V6-Y47 HydrophobicContact CB-CE1 3.9Å; V6-Y47 HydrophobicContact CG2-CD1 3.87Å; V6-Y47 HydrophobicContact CG2-CE1 3.7Å; V6-Y47 HydrophobicContact CG2-CE2 4.46Å; V6-Y47 HydrophobicContact CG2-CG 4.36Å
7T93.5Very high91.2Very high21 Ų2170.8 Ų70.813%0.12940%0.396CS..  trans-63.2136.8175.954.50000111.1A35 Q39 I46T7-A35 HydrophobicContact CG2-CB 3.78Å; T7-Q39 VanDerWaalsContact CB-CD 3.44Å; T7-Q39 HydrophobicContact CG2-CB 4.36Å; T7-Q39 PolarHBondContact OG1-NE2 3.48Å; T7-Q39 PolarHBondContact OG1-OE1 3.01Å; T7-I46 HydrophobicContact CG2-CB 3.94Å; T7-I46 PolarHBondContact N-O 3.35Å; T7-I46 PolarHBondContact OG1-N 2.82Å; T7-I46 PolarHBondContact OG1-O 2.96Å
8S85.9Confident91.6Very high128 Ų12866.9 Ų66.990%0.89537%0.374SS*.  trans-89.9-12.3-16956.60000115.1
9A83.7Confident91.9Very high48 Ų4863.4 Ų63.440%0.39735%0.354SS..SBendtrans-72.1158.4-179.500000111.3F11 Q39A9-F11 PolarHBondContact O-N 3.03Å; A9-Q39 PolarHBondContact O-NE2 2.87Å
10Q86.6Confident92.3Very high187 Ų18760.3 Ų60.387%0.87434%0.336SS*.  trans-55.8136171.8-170.61731000109.6
11F91.5Very high92.6Very high55 Ų5557.4 Ų57.424%0.24132%0.32CS..  trans-123.7156.8179.274.6-73.4000107.9A9 P13 S43 R45A9-F11 PolarHBondContact O-N 3.03Å; F11-P13 HydrophobicContact CE2-CB 4.42Å; F11-P13 HydrophobicContact CE2-CG 4.42Å; F11-P13 HydrophobicContact CZ-CG 4.48Å; F11-P13 WeakPolarHBondContact O-CD 3.35Å; F11-S43 CarbonylContact C-O 3.59Å; F11-S43 WeakPolarHBondContact CA-O 3.19Å; F11-S43 VanDerWaalsContact CB-O 3.25Å; F11-S43 WeakPolarHBondContact CB-O 3.45Å; F11-R45 HydrophobicContact CB-CB 4.4Å; F11-R45 HydrophobicContact CD2-CB 3.73Å; F11-R45 VanDerWaalsContact CE1-CZ 3.47Å; F11-R45 VanDerWaalsContact CE1-NE 3.33Å; F11-R45 HydrophobicContact CE2-CB 4.2Å; F11-R45 HydrophobicContact CG-CB 3.97Å; F11-R45 VanDerWaalsContact CZ-NE 3.25Å
12D91.3Very high93.3Very high75 Ų7552 Ų5240%0.40129%0.294SS..  trans-81.2118.5172.6179.8-11000109S14 S15 S43D12-S14 PolarHBondContact O-N 3.12Å; D12-S14 VanDerWaalsContact O-N 3.12Å; D12-S14 WeakPolarHBondContact OD1-CB 3.4Å; D12-S14 PolarHBondContact OD1-N 2.59Å; D12-S14 PolarHBondContact OD1-OG 3.41Å; D12-S14 PolarHBondContact OD2-OG 2.67Å; D12-S15 WeakPolarHBondContact O-CB 3.41Å; D12-S15 PolarHBondContact O-N 2.65Å; D12-S15 PolarHBondContact O-OG 2.84Å; D12-S43 PolarHBondContact N-O 2.72Å
13P87.1Confident93.4Very high111 Ų11151.8 Ų51.872%0.72129%0.293SS*.THydrogen-bonded Turntrans-59.3-20.4177.8-24.435.7000115F11F11-P13 HydrophobicContact CE2-CB 4.42Å; F11-P13 HydrophobicContact CE2-CG 4.42Å; F11-P13 HydrophobicContact CZ-CG 4.48Å; F11-P13 WeakPolarHBondContact O-CD 3.35Å
14S87.6Confident93.4Very high94 Ų9450.9 Ų50.966%0.65729%0.287SS*.THydrogen-bonded Turntrans-85.3-9.1175.573.60000113.6D12D12-S14 PolarHBondContact O-N 3.12Å; D12-S14 VanDerWaalsContact O-N 3.12Å; D12-S14 WeakPolarHBondContact OD1-CB 3.4Å; D12-S14 PolarHBondContact OD1-N 2.59Å; D12-S14 PolarHBondContact OD1-OG 3.41Å; D12-S14 PolarHBondContact OD2-OG 2.67Å
15S91.1Very high93.4Very high24 Ų2447.7 Ų47.717%0.16828%0.275CS..SBendtrans-80.4149.3177.770.60000112.2D12 S43 N44D12-S15 WeakPolarHBondContact O-CB 3.41Å; D12-S15 PolarHBondContact O-N 2.65Å; D12-S15 PolarHBondContact O-OG 2.84Å; S15-S43 PolarHBondContact OG-O 2.87Å; S15-N44 VanDerWaalsContact OG-CA 3.3Å; S15-N44 WeakPolarHBondContact OG-CA 3.39Å
16R93.2Very high93.4Very high82 Ų8245 Ų4531%0.30926%0.262SS..PPolyproline II helixtrans-71.8128.8-178.1-63-166-176.686.6-0.3111.6N44 E85 R119 K271R16-N44 WeakPolarHBondContact O-CB 3.07Å; R16-N44 PolarHBondContact O-ND2 3.39Å; R16-E85 WeakPolarHBondContact CB-O 3.45Å; R16-E85 HydrophobicContact CG-CB 4.05Å; R16-E85 IonicContact NE-OE1 3.92Å; R16-R119 VanDerWaalsContact CZ-NH2 3.26Å; R16-R119 VanDerWaalsContact NH1-NH1 3.11Å; R16-K271 PolarHBondContact NH1-OXT 2.62Å
17P96Very high93.5Very high17 Ų1742.8 Ų42.811%0.1125%0.247CC..PPolyproline II helixtrans-67.5156.2176.228.8-33.7000111.3R45 Y47 L81 L86 S87P17-R45 CarbonylContact C-O 3.55Å; P17-R45 VanDerWaalsContact CA-O 3.32Å; P17-R45 WeakPolarHBondContact CA-O 3.37Å; P17-Y47 HydrophobicContact CB-CE2 4.44Å; P17-L81 HydrophobicContact CB-CD2 3.74Å; P17-L81 HydrophobicContact CG-CD2 3.8Å; P17-L86 HydrophobicContact CB-CD1 4.22Å; P17-L86 HydrophobicContact CG-CD1 4.15Å; P17-S87 PolarHBondContact O-N 2.92Å
18A97.6Very high93.7Very high0 Ų042.3 Ų42.30%024%0.243CC..EExtended strand (participates in β ladder)trans-127.4142.2171.600000111.8R45 I46 Y47 S87 I89A18-R45 PolarHBondContact N-O 3.43Å; A18-I46 HydrophobicContact CB-CG1 4.29Å; A18-I46 HydrophobicContact CB-CG2 4.43Å; A18-I46 CarbonylContact O-C 3.58Å; A18-I46 WeakPolarHBondContact O-CA 3.14Å; A18-Y47 WeakPolarHBondContact O-CD2 3.32Å; A18-Y47 PolarHBondContact O-N 2.99Å; A18-S87 CarbonylContact C-O 3.56Å; A18-S87 WeakPolarHBondContact CA-O 3.4Å; A18-I89 HydrophobicContact CB-CD1 4.49Å
19L98.2Very high94.2Very high0 Ų036.9 Ų36.90%021%0.207CC..EExtended strand (participates in β ladder)trans-120.9129.5172.9175.262.9000109.4L21 Y47 A49 V72 L75 I76 L86 S87 L88 I89L19-L21 HydrophobicContact CD2-CD2 4.32Å; L19-L21 HydrophobicContact CG-CD2 4.18Å; L19-Y47 CarbonylContact C-O 3.52Å; L19-Y47 WeakPolarHBondContact CA-O 3.43Å; L19-A49 HydrophobicContact CD1-CB 3.9Å; L19-V72 HydrophobicContact CD2-CG1 4.1Å; L19-L75 HydrophobicContact CD1-CD2 4.09Å; L19-L75 HydrophobicContact CD2-CD2 4.19Å; L19-I76 HydrophobicContact CD2-CD1 4.3Å; L19-I76 HydrophobicContact CD2-CG1 3.86Å; L19-L86 HydrophobicContact CB-CD1 4.06Å; L19-L86 HydrophobicContact CB-CD2 4.46Å; L19-S87 PolarHBondContact N-O 2.99Å; L19-L88 HydrophobicContact CB-CD1 3.92Å; L19-L88 HydrophobicContact CD2-CD1 3.89Å; L19-L88 HydrophobicContact CG-CD1 3.93Å; L19-I89 PolarHBondContact O-N 3.32Å
20I98.7Very high94.8Very high1 Ų136.4 Ų36.41%0.00520%0.198CC..EExtended strand (participates in β ladder)trans-112.2129.1-177.4-49.4-178.5000110.4W31 A35 L38 I46 Y47 T48 A49 I89I20-W31 HydrophobicContact CD1-CE3 4.14Å; I20-W31 HydrophobicContact CG2-CB 4.16Å; I20-W31 HydrophobicContact CG2-CD2 3.36Å; I20-W31 HydrophobicContact CG2-CE3 3.48Å; I20-W31 VanDerWaalsContact CG2-CE3 3.48Å; I20-W31 HydrophobicContact CG2-CG 3.65Å; I20-W31 HydrophobicContact CG2-CH2 4.47Å; I20-W31 HydrophobicContact CG2-CZ2 4.42Å; I20-W31 HydrophobicContact CG2-CZ3 4.03Å; I20-A35 HydrophobicContact CD1-CB 4.11Å; I20-L38 HydrophobicContact CD1-CD1 4.44Å; I20-I46 HydrophobicContact CD1-CG2 3.73Å; I20-I46 HydrophobicContact CG1-CG2 4.11Å; I20-Y47 PolarHBondContact N-O 3.26Å; I20-T48 HydrophobicContact CB-CG2 4.09Å; I20-T48 HydrophobicContact CD1-CG2 4.15Å; I20-T48 HydrophobicContact CG1-CG2 4.42Å; I20-A49 PolarHBondContact O-N 3.38Å; I20-I89 CarbonylContact C-O 3.51Å; I20-I89 WeakPolarHBondContact CA-O 3.04Å; I20-I89 HydrophobicContact CB-CB 4.45Å; I20-I89 HydrophobicContact CD1-CD1 4.39Å; I20-I89 HydrophobicContact CG1-CB 4.15Å; I20-I89 HydrophobicContact CG1-CD1 4.06Å; I20-I89 HydrophobicContact CG1-CG1 4.41Å; I20-I89 HydrophobicContact CG2-CB 4.32Å; I20-I89 HydrophobicContact CG2-CG2 4.37Å
21L98.6Very high95.4Very high0 Ų027.6 Ų27.60%016%0.157CC..EExtended strand (participates in β ladder)trans-112.2125.6177.3-50.5-177.4000110.1L19 A49 L51 V72 L88 I89 H91 V97 A98L19-L21 HydrophobicContact CD2-CD2 4.32Å; L19-L21 HydrophobicContact CG-CD2 4.18Å; L21-A49 HydrophobicContact CD2-CB 4.16Å; L21-L51 HydrophobicContact CB-CD2 4.41Å; L21-L51 HydrophobicContact CD1-CD2 4.37Å; L21-L51 HydrophobicContact CD2-CD2 4.19Å; L21-V72 HydrophobicContact CD1-CG1 4.29Å; L21-V72 HydrophobicContact CD1-CG2 3.97Å; L21-V72 HydrophobicContact CD2-CG1 4.46Å; L21-V72 HydrophobicContact CD2-CG2 3.94Å; L21-L88 HydrophobicContact CD1-CD1 4.17Å; L21-L88 HydrophobicContact CG-CD1 4.2Å; L21-I89 PolarHBondContact N-O 3.44Å; L21-H91 PolarHBondContact O-N 2.92Å; L21-V97 HydrophobicContact CD1-CB 4.26Å; L21-V97 HydrophobicContact CD1-CG1 4Å; L21-A98 HydrophobicContact CD1-CB 4.13Å
22H98.1Very high95.6Very high1 Ų131.1 Ų31.11%0.00517%0.168CC..  trans-77.4166.8-179.267.174.9000113G26 H27 A49 L51 H54 H91 G94H22-G26 PolarHBondContact CE1-O 2.92Å; H22-G26 VanDerWaalsContact CE1-O 3.24Å; H22-G26 PolarHBondContact ND1-O 3.47Å; H22-H27 VanDerWaalsContact CD2-CA 3.5Å; H22-H27 WeakPolarHBondContact CD2-CA 3.43Å; H22-A49 PolarHBondContact CD2-O 3.45Å; H22-L51 PolarHBondContact NE2-N 3Å; H22-L51 WeakPolarHBondContact O-CD1 3.36Å; H22-H54 WeakPolarHBondContact CE1-CB 3.37Å; H22-H54 AromaticContact CE1-CD2 3.63Å; H22-H54 AromaticContact CE1-CG 3.49Å; H22-H54 VanDerWaalsContact CE1-CG 3.49Å; H22-H91 CarbonylContact C-O 3.56Å; H22-G94 VanDerWaalsContact O-CA 3.3Å; H22-G94 WeakPolarHBondContact O-CA 3.37Å; H22-G94 PolarHBondContact O-N 2.82Å; H22-G94 VanDerWaalsContact O-N 3.12Å
23G96.1Very high95.9Very high2 Ų232.3 Ų32.32%0.02118%0.183CC..  trans-82.4177.8172.700000114.2G26 H91G23-G26 PolarHBondContact O-N 3.49Å; G23-G26 VanDerWaalsContact O-N 3.08Å; G23-H91 VanDerWaalsContact CA-O 3.25Å; G23-H91 WeakPolarHBondContact CA-O 3.49Å; G23-H91 PolarHBondContact N-O 3.38Å
24L96Very high96.4Very high19 Ų1927.7 Ų27.710%0.09915%0.152CC..THydrogen-bonded Turntrans-54.7141.7178.7-173.368.6000111.7G26 L93 I137 I198 I202 I205L24-G26 PolarHBondContact O-N 3.38Å; L24-L93 HydrophobicContact CB-CB 4.35Å; L24-L93 HydrophobicContact CB-CD2 4.34Å; L24-L93 HydrophobicContact CD1-CD2 3.97Å; L24-I137 HydrophobicContact CD2-CG2 3.74Å; L24-I198 HydrophobicContact CD1-CD1 4.1Å; L24-I198 HydrophobicContact CD1-CG1 4.29Å; L24-I198 HydrophobicContact CD1-CG2 3.87Å; L24-I202 HydrophobicContact CD1-CD1 4.46Å; L24-I202 HydrophobicContact CD2-CD1 3.55Å; L24-I205 HydrophobicContact CD1-CD1 4.02Å
25F96.8Very high96.9Very high11 Ų1123.3 Ų23.35%0.04812%0.121CC..THydrogen-bonded Turntrans63.8-4.8-174-46.7-63.2000116.1H54 A140 L141 F176 L177 S180 F193 I198F25-H54 PolarHBondContact N-NE2 3.33Å; F25-H54 VanDerWaalsContact N-NE2 3.15Å; F25-A140 HydrophobicContact CE2-CB 3.98Å; F25-A140 HydrophobicContact CZ-CB 4.39Å; F25-L141 HydrophobicContact CE1-CD2 3.79Å; F25-L141 HydrophobicContact CE1-CG 4.29Å; F25-L141 HydrophobicContact CZ-CD2 3.9Å; F25-L141 HydrophobicContact CZ-CG 3.87Å; F25-F176 HydrophobicContact CB-CE1 4.16Å; F25-L177 HydrophobicContact CB-CD2 3.59Å; F25-L177 HydrophobicContact CD1-CD2 4.25Å; F25-L177 HydrophobicContact CD2-CD2 3.81Å; F25-L177 HydrophobicContact CG-CD2 3.63Å; F25-S180 PolarHBondContact O-OG 3.32Å; F25-F193 HydrophobicContact CB-CD1 4.06Å; F25-F193 HydrophobicContact CB-CE1 3.94Å; F25-F193 HydrophobicContact CD1-CD1 4.23Å; F25-F193 AromaticContact CD1-CD2 4Å; F25-F193 HydrophobicContact CD1-CD2 4Å; F25-F193 HydrophobicContact CD1-CE1 4.13Å; F25-F193 AromaticContact CD1-CE2 3.91Å; F25-F193 HydrophobicContact CD1-CE2 3.91Å; F25-F193 HydrophobicContact CD1-CG 4.17Å; F25-F193 AromaticContact CD1-CZ 3.99Å; F25-F193 HydrophobicContact CD1-CZ 3.99Å; F25-F193 HydrophobicContact CE1-CE2 4.44Å; F25-F193 HydrophobicContact CG-CE1 4.48Å; F25-F193 WeakPolarHBondContact O-CD1 2.96Å; F25-I198 HydrophobicContact CD1-CD1 4.01Å; F25-I198 HydrophobicContact CE1-CD1 3.96Å; F25-I198 HydrophobicContact CE1-CG2 4.07Å; F25-I198 HydrophobicContact CZ-CG2 4.37Å
26G97Very high97.1Very high0 Ų023.9 Ų23.90%013%0.125CC..  trans-80.6-176177.100000113.6H22 G23 L24 N30 H54H22-G26 PolarHBondContact CE1-O 2.92Å; H22-G26 VanDerWaalsContact CE1-O 3.24Å; H22-G26 PolarHBondContact ND1-O 3.47Å; G23-G26 PolarHBondContact O-N 3.49Å; G23-G26 VanDerWaalsContact O-N 3.08Å; L24-G26 PolarHBondContact O-N 3.38Å; G26-N30 VanDerWaalsContact CA-OD1 3.22Å; G26-N30 WeakPolarHBondContact CA-OD1 3.14Å; G26-H54 PolarHBondContact O-CD2 3.27Å
27H98Very high97.3Very high23 Ų2320.6 Ų20.611%0.10612%0.116CC..  trans-154.5165.1173.166.199.4000109.9H22 G29 N30 D50 T179H22-H27 VanDerWaalsContact CD2-CA 3.5Å; H22-H27 WeakPolarHBondContact CD2-CA 3.43Å; H27-G29 WeakPolarHBondContact ND1-CA 3.44Å; H27-G29 PolarHBondContact ND1-N 2.66Å; H27-G29 VanDerWaalsContact ND1-N 3.18Å; H27-G29 PolarHBondContact O-N 3.48Å; H27-G29 VanDerWaalsContact O-N 3.1Å; H27-N30 PolarHBondContact CD2-OD1 2.88Å; H27-N30 PolarHBondContact N-OD1 3.06Å; H27-N30 PolarHBondContact NE2-ND2 3.28Å; H27-N30 VanDerWaalsContact NE2-ND2 3.19Å; H27-N30 WeakPolarHBondContact O-CB 3.08Å; H27-N30 PolarHBondContact O-N 2.87Å; H27-N30 PolarHBondContact O-OD1 3.35Å; H27-D50 VanDerWaalsContact CA-OD1 3.32Å; H27-D50 WeakPolarHBondContact CA-OD1 3.35Å; H27-D50 WeakPolarHBondContact CB-OD1 3.44Å; H27-T179 PolarHBondContact NE2-O 2.97Å
28K97.9Very high97.4Very high10 Ų1019.9 Ų19.94%0.04311%0.111CC..G310 helixtrans-50.9-36.8-179.266-175.4-179.8-89.50113.4T3 E5 N30 W31 D50 D56T3-K28 PolarHBondContact OG1-NZ 2.64Å; E5-K28 HydrophobicContact CB-CD 4.35Å; E5-K28 HydrophobicContact CG-CD 3.92Å; E5-K28 HydrophobicContact CG-CG 4.46Å; K28-N30 PolarHBondContact O-N 3.34Å; K28-W31 PolarHBondContact O-N 3.12Å; K28-D50 WeakPolarHBondContact CB-OD1 3.3Å; K28-D50 WeakPolarHBondContact CG-OD1 3.25Å; K28-D50 PolarHBondContact N-OD1 3.3Å; K28-D50 IonicContact NZ-OD2 2.9Å; K28-D50 PolarHBondContact NZ-OD2 3.14Å; K28-D56 IonicContact NZ-OD2 3.2Å; K28-D56 PolarHBondContact NZ-OD2 3.16Å
29G97.1Very high97.4Very high14 Ų1420.3 Ų20.314%0.14411%0.113CC..G310 helixtrans-63.6-24.1179.500000114.2H27 W31 R32H27-G29 WeakPolarHBondContact ND1-CA 3.44Å; H27-G29 PolarHBondContact ND1-N 2.66Å; H27-G29 VanDerWaalsContact ND1-N 3.18Å; H27-G29 PolarHBondContact O-N 3.48Å; H27-G29 VanDerWaalsContact O-N 3.1Å; G29-W31 PolarHBondContact O-N 2.94Å; G29-R32 WeakPolarHBondContact O-CB 3.29Å; G29-R32 PolarHBondContact O-N 3.43Å
30N97.1Very high97.2Very high38 Ų3828.8 Ų28.820%0.20315%0.145CC..G310 helixtrans-62.2-25.2173.4-58.9135.6000112G26 H27 K28 T179G26-N30 VanDerWaalsContact CA-OD1 3.22Å; G26-N30 WeakPolarHBondContact CA-OD1 3.14Å; H27-N30 PolarHBondContact CD2-OD1 2.88Å; H27-N30 PolarHBondContact N-OD1 3.06Å; H27-N30 PolarHBondContact NE2-ND2 3.28Å; H27-N30 VanDerWaalsContact NE2-ND2 3.19Å; H27-N30 WeakPolarHBondContact O-CB 3.08Å; H27-N30 PolarHBondContact O-N 2.87Å; H27-N30 PolarHBondContact O-OD1 3.35Å; K28-N30 PolarHBondContact O-N 3.34Å; N30-T179 PolarHBondContact ND2-OG1 2.83Å
31W98.1Very high97.1Very high3 Ų335 Ų351%0.01117%0.172CC..G310 helixtrans-97-2.9-177.7-7386.6000114.2I20 K28 G29 S33 M34 A35 T48 H91 H254 F261I20-W31 HydrophobicContact CD1-CE3 4.14Å; I20-W31 HydrophobicContact CG2-CB 4.16Å; I20-W31 HydrophobicContact CG2-CD2 3.36Å; I20-W31 HydrophobicContact CG2-CE3 3.48Å; I20-W31 VanDerWaalsContact CG2-CE3 3.48Å; I20-W31 HydrophobicContact CG2-CG 3.65Å; I20-W31 HydrophobicContact CG2-CH2 4.47Å; I20-W31 HydrophobicContact CG2-CZ2 4.42Å; I20-W31 HydrophobicContact CG2-CZ3 4.03Å; K28-W31 PolarHBondContact O-N 3.12Å; G29-W31 PolarHBondContact O-N 2.94Å; W31-S33 PolarHBondContact O-N 3.31Å; W31-M34 HydrophobicContact CE3-CB 4.1Å; W31-M34 HydrophobicContact CE3-CG 4.03Å; W31-M34 HydrophobicContact CZ3-CG 4.1Å; W31-M34 PolarHBondContact O-N 2.99Å; W31-M34 VanDerWaalsContact O-N 3.15Å; W31-A35 VanDerWaalsContact O-CB 3.3Å; W31-A35 WeakPolarHBondContact O-CB 3.27Å; W31-A35 PolarHBondContact O-N 3.43Å; W31-T48 HydrophobicContact CB-CG2 3.58Å; W31-H91 HydrophobicContact CH2-CB 4.23Å; W31-H91 HydrophobicContact CZ2-CB 3.5Å; W31-H91 VanDerWaalsContact CZ2-CB 3.5Å; W31-H254 AromaticContact CE2-CD2 4Å; W31-H254 AromaticContact CE2-NE2 3.84Å; W31-H254 HydrophobicContact CH2-CB 3.79Å; W31-H254 AromaticContact CH2-CD2 3.94Å; W31-H254 AromaticContact CH2-CG 3.54Å; W31-H254 AromaticContact CH2-ND1 3.71Å; W31-H254 HydrophobicContact CZ2-CB 4.46Å; W31-H254 AromaticContact CZ2-CD2 3.79Å; W31-H254 AromaticContact CZ2-CE1 3.58Å; W31-H254 AromaticContact CZ2-CG 3.72Å; W31-H254 AromaticContact CZ2-ND1 3.58Å; W31-H254 AromaticContact CZ2-NE2 3.72Å; W31-H254 HydrophobicContact CZ3-CB 3.98Å; W31-F261 HydrophobicContact CH2-CE1 4.41Å; W31-F261 AromaticContact CH2-CZ 3.9Å; W31-F261 HydrophobicContact CH2-CZ 3.9Å; W31-F261 AromaticContact CZ3-CE1 3.85Å; W31-F261 HydrophobicContact CZ3-CE1 3.85Å; W31-F261 AromaticContact CZ3-CZ 3.72Å; W31-F261 HydrophobicContact CZ3-CZ 3.72Å
32R96.3Very high96.9Very high128 Ų12836.5 Ų36.548%0.48318%0.18SC..Hα-helixtrans-57.5-47-172-170.7-180-62.4133.7-1.5113.5E5 G29 S36E5-R32 VanDerWaalsContact CD-NH2 3.29Å; E5-R32 IonicContact OE1-CZ 3.34Å; E5-R32 IonicContact OE1-NH2 2.99Å; E5-R32 PolarHBondContact OE1-NH2 2.65Å; E5-R32 IonicContact OE2-CZ 3.88Å; E5-R32 IonicContact OE2-NE 2.82Å; E5-R32 PolarHBondContact OE2-NE 2.98Å; E5-R32 IonicContact OE2-NH2 2.73Å; E5-R32 PolarHBondContact OE2-NH2 2.83Å; G29-R32 WeakPolarHBondContact O-CB 3.29Å; G29-R32 PolarHBondContact O-N 3.43Å; R32-S36 WeakPolarHBondContact O-CB 3.42Å; R32-S36 PolarHBondContact O-N 3.15Å; R32-S36 PolarHBondContact O-OG 2.91Å
33S96.4Very high96.7Very high100 Ų10039.2 Ų39.270%0.69920%0.199SC*.Hα-helixtrans-65-41.1179.1-61.10000111.7W31 S36 A37W31-S33 PolarHBondContact O-N 3.31Å; S33-S36 PolarHBondContact O-N 2.85Å; S33-A37 WeakPolarHBondContact O-CB 3.47Å; S33-A37 PolarHBondContact O-N 3.34Å
34M97.7Very high96.6Very high14 Ų1439.6 Ų39.67%0.06920%0.2CC..Hα-helixtrans-69.2-45.4178.9-174.254.466.200111.8W31 S36 A37 L38 H254 P258 F261 L262W31-M34 HydrophobicContact CE3-CB 4.1Å; W31-M34 HydrophobicContact CE3-CG 4.03Å; W31-M34 HydrophobicContact CZ3-CG 4.1Å; W31-M34 PolarHBondContact O-N 2.99Å; W31-M34 VanDerWaalsContact O-N 3.15Å; M34-S36 VanDerWaalsContact C-N 3.3Å; M34-S36 PolarHBondContact O-N 3.11Å; M34-A37 PolarHBondContact O-N 3.31Å; M34-A37 VanDerWaalsContact O-N 3.09Å; M34-L38 HydrophobicContact CG-CD1 4.21Å; M34-L38 PolarHBondContact O-N 3.25Å; M34-L38 HydrophobicContact SD-CG 4.46Å; M34-H254 HydrophobicContact CE-CB 4.41Å; M34-H254 WeakPolarHBondContact CE-O 3.22Å; M34-P258 HydrophobicContact CE-CB 3.94Å; M34-F261 HydrophobicContact CE-CD1 3.51Å; M34-F261 HydrophobicContact CE-CE1 4.16Å; M34-F261 HydrophobicContact CE-CG 4.44Å; M34-F261 HydrophobicContact CG-CD1 4.06Å; M34-F261 HydrophobicContact CG-CE1 3.71Å; M34-F261 HydrophobicContact SD-CD1 3.57Å; M34-F261 VanDerWaalsContact SD-CD1 3.57Å; M34-F261 HydrophobicContact SD-CE1 3.79Å; M34-L262 HydrophobicContact CE-CB 4.48Å; M34-L262 HydrophobicContact SD-CB 4.05Å; M34-L262 HydrophobicContact SD-CD1 3.95Å
35A98Very high96.6Very high2 Ų243.2 Ų43.22%0.01721%0.213CC..Hα-helixtrans-56.7-45174.400000111.1T7 I20 W31 A37 L38 Q39 I46 T48T7-A35 HydrophobicContact CG2-CB 3.78Å; I20-A35 HydrophobicContact CD1-CB 4.11Å; W31-A35 VanDerWaalsContact O-CB 3.3Å; W31-A35 WeakPolarHBondContact O-CB 3.27Å; W31-A35 PolarHBondContact O-N 3.43Å; A35-A37 VanDerWaalsContact C-N 3.33Å; A35-A37 PolarHBondContact O-N 3.5Å; A35-L38 PolarHBondContact O-N 2.9Å; A35-Q39 WeakPolarHBondContact O-CB 3.36Å; A35-Q39 PolarHBondContact O-N 3.07Å; A35-I46 HydrophobicContact CB-CB 4.47Å; A35-I46 HydrophobicContact CB-CG2 3.74Å; A35-T48 HydrophobicContact CB-CG2 3.89Å
36S97.1Very high96.6Very high37 Ų3742.8 Ų42.826%0.25921%0.211SC..Hα-helixtrans-63.4-38.5176.2-56.80000112.3R32 S33 M34 R40R32-S36 WeakPolarHBondContact O-CB 3.42Å; R32-S36 PolarHBondContact O-N 3.15Å; R32-S36 PolarHBondContact O-OG 2.91Å; S33-S36 PolarHBondContact O-N 2.85Å; M34-S36 VanDerWaalsContact C-N 3.3Å; M34-S36 PolarHBondContact O-N 3.11Å; S36-R40 WeakPolarHBondContact O-CG 3.41Å; S36-R40 PolarHBondContact O-N 3.05Å; S36-R40 VanDerWaalsContact O-N 3.12Å; S36-R40 PolarHBondContact O-NH1 3.3Å
37A97.4Very high96.7Very high13 Ų1343.3 Ų43.311%0.10721%0.213CC..Hα-helixtrans-69.8-40.2178.600000112.7S33 M34 A35 R40 K41 L262S33-A37 WeakPolarHBondContact O-CB 3.47Å; S33-A37 PolarHBondContact O-N 3.34Å; M34-A37 PolarHBondContact O-N 3.31Å; M34-A37 VanDerWaalsContact O-N 3.09Å; A35-A37 VanDerWaalsContact C-N 3.33Å; A35-A37 PolarHBondContact O-N 3.5Å; A37-R40 PolarHBondContact O-N 3.09Å; A37-K41 PolarHBondContact O-N 3.15Å; A37-L262 HydrophobicContact CB-CD1 3.85Å; A37-L262 HydrophobicContact CB-CD2 3.77Å; A37-L262 HydrophobicContact CB-CG 4.46Å
38L97.5Very high96.7Very high1 Ų142.5 Ų42.51%0.00521%0.209CC..Hα-helixtrans-63.9-45.5173.1-75.5167.9000111.3I20 M34 A35 R40 K41 L42 I46 I89 L262 A265 A266 L269I20-L38 HydrophobicContact CD1-CD1 4.44Å; M34-L38 HydrophobicContact CG-CD1 4.21Å; M34-L38 PolarHBondContact O-N 3.25Å; M34-L38 HydrophobicContact SD-CG 4.46Å; A35-L38 PolarHBondContact O-N 2.9Å; L38-R40 VanDerWaalsContact C-N 3.3Å; L38-R40 PolarHBondContact O-N 3.07Å; L38-K41 PolarHBondContact O-N 3.02Å; L38-L42 HydrophobicContact CD2-CD1 4.33Å; L38-L42 PolarHBondContact O-N 3.36Å; L38-I46 HydrophobicContact CB-CD1 3.32Å; L38-I46 HydrophobicContact CD1-CD1 4.48Å; L38-I89 HydrophobicContact CD1-CD1 4.4Å; L38-L262 HydrophobicContact CB-CD1 4.41Å; L38-L262 HydrophobicContact CD2-CD1 3.61Å; L38-L262 HydrophobicContact CG-CD1 3.72Å; L38-A265 HydrophobicContact CD2-CB 3.89Å; L38-A266 HydrophobicContact CD2-CB 4.31Å; L38-L269 HydrophobicContact CD1-CD1 4.49Å; L38-L269 HydrophobicContact CD2-CD1 4.13Å
39Q96.6Very high96.7Very high9 Ų942 Ų424%0.04221%0.208CC..Hα-helixtrans-57.9-44.1177.6174.9178.15900110.9T7 A9 A35 K41 L42 S43 N44 I46T7-Q39 VanDerWaalsContact CB-CD 3.44Å; T7-Q39 HydrophobicContact CG2-CB 4.36Å; T7-Q39 PolarHBondContact OG1-NE2 3.48Å; T7-Q39 PolarHBondContact OG1-OE1 3.01Å; A9-Q39 PolarHBondContact O-NE2 2.87Å; A35-Q39 WeakPolarHBondContact O-CB 3.36Å; A35-Q39 PolarHBondContact O-N 3.07Å; Q39-K41 PolarHBondContact O-N 3.42Å; Q39-L42 PolarHBondContact O-N 2.91Å; Q39-S43 VanDerWaalsContact O-CA 3.27Å; Q39-S43 WeakPolarHBondContact O-CA 3.38Å; Q39-S43 PolarHBondContact O-N 3.4Å; Q39-N44 WeakPolarHBondContact CG-O 3.42Å; Q39-N44 PolarHBondContact NE2-O 3.29Å; Q39-I46 HydrophobicContact CB-CD1 4.12Å; Q39-I46 HydrophobicContact CB-CG1 4.38Å
40R95.5Very high96.8Very high179 Ų17941.4 Ų41.468%0.67520%0.201SC*.Hα-helixtrans-63.2-27.6178.1-74.6-170.7-58.8-89.43.9113.9S36 A37 L38S36-R40 WeakPolarHBondContact O-CG 3.41Å; S36-R40 PolarHBondContact O-N 3.05Å; S36-R40 VanDerWaalsContact O-N 3.12Å; S36-R40 PolarHBondContact O-NH1 3.3Å; A37-R40 PolarHBondContact O-N 3.09Å; L38-R40 VanDerWaalsContact C-N 3.3Å; L38-R40 PolarHBondContact O-N 3.07Å
41K95.3Very high96.9Very high131 Ų13139.7 Ų39.757%0.5719%0.192SC*.Hα-helixtrans-85.5-35.2179.8-80-175.1169.6-72.60113.2A37 L38 Q39 L262 A266A37-K41 PolarHBondContact O-N 3.15Å; L38-K41 PolarHBondContact O-N 3.02Å; Q39-K41 PolarHBondContact O-N 3.42Å; K41-L262 HydrophobicContact CD-CD1 4.08Å; K41-L262 HydrophobicContact CD-CD2 4.07Å; K41-L262 HydrophobicContact CD-CG 3.9Å; K41-A266 HydrophobicContact CB-CB 4.43Å; K41-A266 HydrophobicContact CD-CB 3.91Å
42L95.2Very high96.9Very high31 Ų3140.6 Ų40.616%0.16220%0.195CC..Hα-helixtrans-110.1-17.4-168.5-55.7171.5000113L38 Q39 N44 A266 L269 A270L38-L42 HydrophobicContact CD2-CD1 4.33Å; L38-L42 PolarHBondContact O-N 3.36Å; Q39-L42 PolarHBondContact O-N 2.91Å; L42-N44 HydrophobicContact CB-CB 4.33Å; L42-N44 WeakPolarHBondContact CB-OD1 3.28Å; L42-N44 PolarHBondContact O-N 3.09Å; L42-N44 PolarHBondContact O-OD1 3.49Å; L42-A266 HydrophobicContact CD2-CB 4.19Å; L42-A266 HydrophobicContact CG-CB 4.5Å; L42-L269 HydrophobicContact CD1-CB 3.65Å; L42-L269 HydrophobicContact CD1-CD1 3.96Å; L42-L269 HydrophobicContact CD1-CG 4.48Å; L42-A270 HydrophobicContact CD2-CB 3.81Å
43S94.3Very high97Very high58 Ų5834.5 Ų34.541%0.40617%0.172SC..  trans62.420.8-169.8-55.80000113.8F11 D12 S15 Q39F11-S43 CarbonylContact C-O 3.59Å; F11-S43 WeakPolarHBondContact CA-O 3.19Å; F11-S43 VanDerWaalsContact CB-O 3.25Å; F11-S43 WeakPolarHBondContact CB-O 3.45Å; D12-S43 PolarHBondContact N-O 2.72Å; S15-S43 PolarHBondContact OG-O 2.87Å; Q39-S43 VanDerWaalsContact O-CA 3.27Å; Q39-S43 WeakPolarHBondContact O-CA 3.38Å; Q39-S43 PolarHBondContact O-N 3.4Å
44N93.4Very high97Very high11 Ų1129.8 Ų29.86%0.05914%0.139CC..  trans-78.9155.5-179.3-61.431.3000112.5S15 R16 Q39 L42 I46S15-N44 VanDerWaalsContact OG-CA 3.3Å; S15-N44 WeakPolarHBondContact OG-CA 3.39Å; R16-N44 WeakPolarHBondContact O-CB 3.07Å; R16-N44 PolarHBondContact O-ND2 3.39Å; Q39-N44 WeakPolarHBondContact CG-O 3.42Å; Q39-N44 PolarHBondContact NE2-O 3.29Å; L42-N44 HydrophobicContact CB-CB 4.33Å; L42-N44 WeakPolarHBondContact CB-OD1 3.28Å; L42-N44 PolarHBondContact O-N 3.09Å; L42-N44 PolarHBondContact O-OD1 3.49Å; N44-I46 HydrophobicContact CB-CG1 4.17Å
45R95.2Very high97Very high95 Ų9529.3 Ų29.336%0.35814%0.138SC..  trans-80.6117.7163.1-165.9177.2-81.1-173.8-17.1109.4V6 F11 P17 A18 Y47V6-R45 HydrophobicContact CG2-CG 3.71Å; F11-R45 HydrophobicContact CB-CB 4.4Å; F11-R45 HydrophobicContact CD2-CB 3.73Å; F11-R45 VanDerWaalsContact CE1-CZ 3.47Å; F11-R45 VanDerWaalsContact CE1-NE 3.33Å; F11-R45 HydrophobicContact CE2-CB 4.2Å; F11-R45 HydrophobicContact CG-CB 3.97Å; F11-R45 VanDerWaalsContact CZ-NE 3.25Å; P17-R45 CarbonylContact C-O 3.55Å; P17-R45 VanDerWaalsContact CA-O 3.32Å; P17-R45 WeakPolarHBondContact CA-O 3.37Å; A18-R45 PolarHBondContact N-O 3.43Å; R45-Y47 HydrophobicContact CB-CE2 4.33Å; R45-Y47 WeakPolarHBondContact CD-OH 3.2Å; R45-Y47 HydrophobicContact CG-CD2 4.47Å; R45-Y47 HydrophobicContact CG-CE2 3.68Å
46I97.7Very high96.9Very high1 Ų133.2 Ų33.21%0.00516%0.158CC..EExtended strand (participates in β ladder)trans-116.9128.4-175-54.3-171.2000110.3V6 T7 A18 I20 A35 L38 Q39 N44V6-I46 WeakPolarHBondContact CA-O 3.41Å; T7-I46 HydrophobicContact CG2-CB 3.94Å; T7-I46 PolarHBondContact N-O 3.35Å; T7-I46 PolarHBondContact OG1-N 2.82Å; T7-I46 PolarHBondContact OG1-O 2.96Å; A18-I46 HydrophobicContact CB-CG1 4.29Å; A18-I46 HydrophobicContact CB-CG2 4.43Å; A18-I46 CarbonylContact O-C 3.58Å; A18-I46 WeakPolarHBondContact O-CA 3.14Å; I20-I46 HydrophobicContact CD1-CG2 3.73Å; I20-I46 HydrophobicContact CG1-CG2 4.11Å; A35-I46 HydrophobicContact CB-CB 4.47Å; A35-I46 HydrophobicContact CB-CG2 3.74Å; L38-I46 HydrophobicContact CB-CD1 3.32Å; L38-I46 HydrophobicContact CD1-CD1 4.48Å; Q39-I46 HydrophobicContact CB-CD1 4.12Å; Q39-I46 HydrophobicContact CB-CG1 4.38Å; N44-I46 HydrophobicContact CB-CG1 4.17Å
47Y98.2Very high97Very high12 Ų1231.6 Ų31.65%0.04715%0.147CC..EExtended strand (participates in β ladder)trans-110.6144.2178.4-60.2-96.6000110Y4 E5 V6 P17 A18 L19 I20 R45 L79 L81Y4-Y47 AromaticContact CD2-CD1 3.96Å; Y4-Y47 HydrophobicContact CD2-CD1 3.96Å; Y4-Y47 HydrophobicContact CD2-CE1 4.48Å; Y4-Y47 HydrophobicContact CE2-CD1 4.31Å; Y4-Y47 HydrophobicContact CE2-CE1 4.39Å; E5-Y47 CarbonylContact O-C 3.5Å; E5-Y47 VanDerWaalsContact O-CA 3.26Å; E5-Y47 WeakPolarHBondContact O-CA 3.18Å; V6-Y47 HydrophobicContact CB-CD1 3.83Å; V6-Y47 HydrophobicContact CB-CE1 3.9Å; V6-Y47 HydrophobicContact CG2-CD1 3.87Å; V6-Y47 HydrophobicContact CG2-CE1 3.7Å; V6-Y47 HydrophobicContact CG2-CE2 4.46Å; V6-Y47 HydrophobicContact CG2-CG 4.36Å; P17-Y47 HydrophobicContact CB-CE2 4.44Å; A18-Y47 WeakPolarHBondContact O-CD2 3.32Å; A18-Y47 PolarHBondContact O-N 2.99Å; L19-Y47 CarbonylContact C-O 3.52Å; L19-Y47 WeakPolarHBondContact CA-O 3.43Å; I20-Y47 PolarHBondContact N-O 3.26Å; R45-Y47 HydrophobicContact CB-CE2 4.33Å; R45-Y47 WeakPolarHBondContact CD-OH 3.2Å; R45-Y47 HydrophobicContact CG-CD2 4.47Å; R45-Y47 HydrophobicContact CG-CE2 3.68Å; Y47-L79 HydrophobicContact CD1-CD1 3.72Å; Y47-L79 HydrophobicContact CD1-CD2 4.45Å; Y47-L79 HydrophobicContact CE1-CD1 3.83Å; Y47-L79 HydrophobicContact CE1-CD2 3.95Å; Y47-L79 HydrophobicContact CE1-CG 4.41Å; Y47-L79 HydrophobicContact CG-CD1 4.21Å; Y47-L81 HydrophobicContact CD2-CD1 3.85Å; Y47-L81 HydrophobicContact CE2-CD1 3.72Å; Y47-L81 HydrophobicContact CE2-CD2 3.85Å; Y47-L81 HydrophobicContact CE2-CG 4.38Å; Y47-L81 HydrophobicContact CG-CD1 4.43Å
48T98.5Very high96.9Very high5 Ų533.4 Ų33.43%0.03116%0.158CC..EExtended strand (participates in β ladder)trans-124.8129.6169.655.20000108Y4 E5 I20 W31 A35Y4-T48 CarbonylContact C-O 3.52Å; Y4-T48 WeakPolarHBondContact CA-O 3.4Å; Y4-T48 WeakPolarHBondContact CB-O 3.12Å; E5-T48 PolarHBondContact N-O 2.89Å; E5-T48 PolarHBondContact O-N 2.94Å; I20-T48 HydrophobicContact CB-CG2 4.09Å; I20-T48 HydrophobicContact CD1-CG2 4.15Å; I20-T48 HydrophobicContact CG1-CG2 4.42Å; W31-T48 HydrophobicContact CB-CG2 3.58Å; A35-T48 HydrophobicContact CB-CG2 3.89Å
49A98.6Very high96.9Very high1 Ų137.7 Ų37.71%0.00818%0.178CC..EExtended strand (participates in β ladder)trans-117.9148-175.600000112.8T2 T3 L19 I20 L21 H22 L75T2-A49 HydrophobicContact CG2-CB 3.89Å; T3-A49 WeakPolarHBondContact O-CA 3.47Å; L19-A49 HydrophobicContact CD1-CB 3.9Å; I20-A49 PolarHBondContact O-N 3.38Å; L21-A49 HydrophobicContact CD2-CB 4.16Å; H22-A49 PolarHBondContact CD2-O 3.45Å; A49-L75 HydrophobicContact CB-CD2 3.58Å
50D98.7Very high96.9Very high0 Ų041.3 Ų41.30%019%0.193CC..  trans-86.9117.6170-78.9-28000109.8T2 T3 H27 K28 G55 D56 S57T2-D50 WeakPolarHBondContact CG2-O 3.07Å; T3-D50 PolarHBondContact O-N 2.8Å; T3-D50 PolarHBondContact OG1-OD2 2.6Å; H27-D50 VanDerWaalsContact CA-OD1 3.32Å; H27-D50 WeakPolarHBondContact CA-OD1 3.35Å; H27-D50 WeakPolarHBondContact CB-OD1 3.44Å; K28-D50 WeakPolarHBondContact CB-OD1 3.3Å; K28-D50 WeakPolarHBondContact CG-OD1 3.25Å; K28-D50 PolarHBondContact N-OD1 3.3Å; K28-D50 IonicContact NZ-OD2 2.9Å; K28-D50 PolarHBondContact NZ-OD2 3.14Å; D50-G55 WeakPolarHBondContact OD2-CA 3.32Å; D50-D56 PolarHBondContact OD2-N 2.73Å; D50-S57 WeakPolarHBondContact CB-OG 3.32Å; D50-S57 WeakPolarHBondContact O-CB 3.43Å; D50-S57 PolarHBondContact O-OG 3.4Å
51L98.5Very high97Very high2 Ų238 Ų381%0.0120%0.195CC..  trans-62.5160.8173.8-66175.4000110.8L21 H22 N53 H54 S57 V72 L93 V97L21-L51 HydrophobicContact CB-CD2 4.41Å; L21-L51 HydrophobicContact CD1-CD2 4.37Å; L21-L51 HydrophobicContact CD2-CD2 4.19Å; H22-L51 PolarHBondContact NE2-N 3Å; H22-L51 WeakPolarHBondContact O-CD1 3.36Å; L51-N53 PolarHBondContact O-N 3.36Å; L51-H54 WeakPolarHBondContact O-CB 3.29Å; L51-H54 PolarHBondContact O-N 3.49Å; L51-S57 WeakPolarHBondContact O-CB 3.49Å; L51-V72 HydrophobicContact CD2-CG2 3.96Å; L51-L93 HydrophobicContact CD1-CD2 4.27Å; L51-L93 HydrophobicContact CD1-CG 4.21Å; L51-V97 HydrophobicContact CD1-CG2 4.45Å; L51-V97 HydrophobicContact CD2-CG1 4.26Å
52R97.9Very high97.1Very high23 Ų2333.4 Ų33.49%0.08718%0.18CC..THydrogen-bonded Turntrans-42.1139.2168.6175.3175.3-72.9-118.9-3.5110.8H54 F60 S62 M63 E67 M68 D71R52-H54 PolarHBondContact O-N 3.34Å; R52-H54 PolarHBondContact O-ND1 3.06Å; R52-F60 HydrophobicContact CG-CD2 4.19Å; R52-S62 WeakPolarHBondContact CD-O 3.05Å; R52-S62 PolarHBondContact NH1-OG 3.17Å; R52-M63 HydrophobicContact CG-CB 4.14Å; R52-E67 IonicContact NH1-OE1 3.22Å; R52-E67 IonicContact NH1-OE2 2.88Å; R52-M68 HydrophobicContact CB-CG 3.74Å; R52-D71 IonicContact CZ-OD2 3.64Å; R52-D71 VanDerWaalsContact CZ-OD2 3.26Å; R52-D71 IonicContact NE-OD2 3.3Å; R52-D71 PolarHBondContact NE-OD2 3.39Å; R52-D71 IonicContact NH2-OD1 2.76Å; R52-D71 PolarHBondContact NH2-OD1 2.87Å; R52-D71 IonicContact NH2-OD2 4Å; R52-D71 PolarHBondContact NH2-OD2 2.82Å
53N98.2Very high97.1Very high0 Ų032 Ų320%017%0.172CC..THydrogen-bonded Turntrans61.818.3178.7-75.5-31.5000115.1L51 P58 H59 F60 S62 M63 F193 N194 A197L51-N53 PolarHBondContact O-N 3.36Å; N53-P58 PolarHBondContact N-O 3.24Å; N53-H59 WeakPolarHBondContact OD1-CA 3.33Å; N53-F60 PolarHBondContact ND2-O 3.37Å; N53-F60 PolarHBondContact OD1-N 2.96Å; N53-F60 PolarHBondContact OD1-O 2.87Å; N53-S62 PolarHBondContact ND2-O 3.35Å; N53-M63 HydrophobicContact CB-SD 4.18Å; N53-M63 WeakPolarHBondContact ND2-CB 3.49Å; N53-F193 CarbonylContact O-C 3.49Å; N53-F193 WeakPolarHBondContact O-CA 3.34Å; N53-F193 WeakPolarHBondContact O-CB 3.41Å; N53-N194 HydrophobicContact CB-CB 3.78Å; N53-N194 PolarHBondContact O-N 2.8Å; N53-N194 WeakPolarHBondContact OD1-CB 3.18Å; N53-N194 PolarHBondContact OD1-ND2 3.02Å; N53-A197 WeakPolarHBondContact ND2-CB 3.42Å
54H98.2Very high97Very high0 Ų031.5 Ų31.50%017%0.167CC..SBendtrans-134.9158.9178.1-65.678.6000111.7H22 F25 G26 L51 R52 D56 S57 K192H22-H54 WeakPolarHBondContact CE1-CB 3.37Å; H22-H54 AromaticContact CE1-CD2 3.63Å; H22-H54 AromaticContact CE1-CG 3.49Å; H22-H54 VanDerWaalsContact CE1-CG 3.49Å; F25-H54 PolarHBondContact N-NE2 3.33Å; F25-H54 VanDerWaalsContact N-NE2 3.15Å; G26-H54 PolarHBondContact O-CD2 3.27Å; L51-H54 WeakPolarHBondContact O-CB 3.29Å; L51-H54 PolarHBondContact O-N 3.49Å; R52-H54 PolarHBondContact O-N 3.34Å; R52-H54 PolarHBondContact O-ND1 3.06Å; H54-D56 PolarHBondContact O-N 2.86Å; H54-S57 WeakPolarHBondContact O-CB 3.33Å; H54-S57 PolarHBondContact O-N 3.48Å; H54-K192 CarbonylContact C-O 3.56Å
55G97.1Very high96.9Very high5 Ų531.4 Ų31.45%0.05217%0.167CC..THydrogen-bonded Turntrans54.8-128.117500000113.4D50 K192D50-G55 WeakPolarHBondContact OD2-CA 3.32Å; G55-K192 PolarHBondContact N-O 3.26Å; G55-K192 VanDerWaalsContact O-O 3.07Å
56D96.6Very high96.6Very high83 Ų8329.4 Ų29.444%0.44416%0.163SC..THydrogen-bonded Turntrans-100.95.8177.2-43.2-46.2000111.8T3 K28 D50 H54 K192T3-D56 HydrophobicContact CG2-CB 4.31Å; T3-D56 VanDerWaalsContact CG2-O 3.24Å; T3-D56 WeakPolarHBondContact CG2-O 3.27Å; K28-D56 IonicContact NZ-OD2 3.2Å; K28-D56 PolarHBondContact NZ-OD2 3.16Å; D50-D56 PolarHBondContact OD2-N 2.73Å; H54-D56 PolarHBondContact O-N 2.86Å; D56-K192 IonicContact OD1-NZ 2.62Å; D56-K192 PolarHBondContact OD1-NZ 3.33Å; D56-K192 IonicContact OD2-NZ 3.57Å
57S98.1Very high96.4Very high4 Ų431.6 Ų31.63%0.02817%0.173CC..SBendtrans-70.7151.3173.6-77.90000111.4T2 T3 D50 L51 H54 H59T2-S57 WeakPolarHBondContact CA-OG 3.07Å; T3-S57 PolarHBondContact N-OG 2.89Å; D50-S57 WeakPolarHBondContact CB-OG 3.32Å; D50-S57 WeakPolarHBondContact O-CB 3.43Å; D50-S57 PolarHBondContact O-OG 3.4Å; L51-S57 WeakPolarHBondContact O-CB 3.49Å; H54-S57 WeakPolarHBondContact O-CB 3.33Å; H54-S57 PolarHBondContact O-N 3.48Å; S57-H59 PolarHBondContact O-CD2 2.86Å
58P96Very high96.2Very high50 Ų5031 Ų3133%0.32517%0.171SC..PPolyproline II helixtrans-57.3144.3-178.4-24.233.2000112.7M1 N53 F60M1-P58 VanDerWaalsContact O-CD 3.26Å; M1-P58 WeakPolarHBondContact O-CD 3.23Å; N53-P58 PolarHBondContact N-O 3.24Å; P58-F60 HydrophobicContact CB-CD2 4.4Å; P58-F60 HydrophobicContact CB-CE2 3.68Å; P58-F60 HydrophobicContact CB-CZ 3.88Å; P58-F60 HydrophobicContact CG-CE2 4.47Å
59H96.7Very high95.9Very high91 Ų9130.8 Ų30.842%0.42117%0.17SC..PPolyproline II helixtrans-91.7131.1174.2-69.3-172000109.9N53 S57 K192 N194N53-H59 WeakPolarHBondContact OD1-CA 3.33Å; S57-H59 PolarHBondContact O-CD2 2.86Å; H59-K192 PolarHBondContact CE1-O 2.91Å; H59-K192 PolarHBondContact NE2-O 3.48Å; H59-N194 HydrophobicContact CB-CB 4.23Å
60F97.6Very high95.6Very high85 Ų8532.3 Ų32.337%0.37318%0.178SC..  trans-129.4152177.4-63.7-75.5000109.8R52 N53 P58 S62 N194 A197R52-F60 HydrophobicContact CG-CD2 4.19Å; N53-F60 PolarHBondContact ND2-O 3.37Å; N53-F60 PolarHBondContact OD1-N 2.96Å; N53-F60 PolarHBondContact OD1-O 2.87Å; P58-F60 HydrophobicContact CB-CD2 4.4Å; P58-F60 HydrophobicContact CB-CE2 3.68Å; P58-F60 HydrophobicContact CB-CZ 3.88Å; P58-F60 HydrophobicContact CG-CE2 4.47Å; F60-S62 VanDerWaalsContact C-N 3.26Å; F60-S62 PolarHBondContact O-N 2.86Å; F60-N194 PolarHBondContact O-ND2 2.82Å; F60-A197 VanDerWaalsContact O-CB 3.31Å; F60-A197 WeakPolarHBondContact O-CB 3.35Å
61P97.6Very high95.4Very high109 Ų10933.7 Ų33.771%0.70819%0.185SC*.SBendtrans-59.1-36.7172.2-25.335.3000113.2A197 H201P61-A197 WeakPolarHBondContact O-CB 3.3Å; P61-H201 PolarHBondContact O-CD2 3.29Å; P61-H201 VanDerWaalsContact O-CD2 3.28Å; P61-H201 PolarHBondContact O-NE2 3Å
62S96Very high95.3Very high36 Ų3633.7 Ų33.725%0.25219%0.185SC..  trans-93.2154179.364.80000113R52 N53 F60 E67R52-S62 WeakPolarHBondContact CD-O 3.05Å; R52-S62 PolarHBondContact NH1-OG 3.17Å; N53-S62 PolarHBondContact ND2-O 3.35Å; F60-S62 VanDerWaalsContact C-N 3.26Å; F60-S62 PolarHBondContact O-N 2.86Å; S62-E67 WeakPolarHBondContact CB-OE1 3.4Å; S62-E67 WeakPolarHBondContact CB-OE2 3.41Å; S62-E67 PolarHBondContact OG-OE1 2.83Å; S62-E67 PolarHBondContact OG-OE2 2.83Å
63M95.3Very high95Very high0 Ų032.9 Ų32.90%018%0.183CC..  trans-156.449.6170.756.5179.8-63.300115.1R52 N53 E67 M68 A197 I198 H201 I205R52-M63 HydrophobicContact CG-CB 4.14Å; N53-M63 HydrophobicContact CB-SD 4.18Å; N53-M63 WeakPolarHBondContact ND2-CB 3.49Å; M63-E67 WeakPolarHBondContact CA-OE2 3.46Å; M63-E67 PolarHBondContact N-OE2 3.37Å; M63-M68 HydrophobicContact CE-SD 4.36Å; M63-M68 VanDerWaalsContact O-CE 3.31Å; M63-M68 WeakPolarHBondContact O-CE 3.47Å; M63-A197 HydrophobicContact CG-CB 4.44Å; M63-A197 HydrophobicContact SD-CB 4.12Å; M63-I198 HydrophobicContact CE-CG1 4.02Å; M63-I198 HydrophobicContact SD-CB 4.25Å; M63-I198 HydrophobicContact SD-CG1 3.65Å; M63-H201 HydrophobicContact CG-CB 3.82Å; M63-I205 HydrophobicContact CE-CD1 3.77Å; M63-I205 HydrophobicContact CE-CG2 4.29Å; M63-I205 HydrophobicContact CG-CG2 4.23Å; M63-I205 WeakPolarHBondContact O-CG2 3.37Å
64T92.2Very high94.8Very high49 Ų4937.2 Ų37.230%0.30121%0.206SC..  trans-64.6158.8177.771.90000111.8D66 E67 M68T64-D66 VanDerWaalsContact C-N 3.26Å; T64-D66 PolarHBondContact O-N 2.92Å; T64-E67 PolarHBondContact N-OE2 3.22Å; T64-E67 PolarHBondContact O-N 3.23Å; T64-E67 VanDerWaalsContact O-N 3.16Å; T64-E67 VanDerWaalsContact OG1-CG 3.28Å; T64-E67 WeakPolarHBondContact OG1-CG 3.42Å; T64-E67 PolarHBondContact OG1-N 2.87Å; T64-M68 PolarHBondContact O-N 3.43Å
65V91.9Very high94.7Very high9 Ų937.2 Ų37.26%0.05521%0.206CC..Hα-helixtrans-58.8-40.5176.5179.50000110.8E67 M68 A69 R96 F100 I205V65-E67 PolarHBondContact O-N 2.85Å; V65-M68 HydrophobicContact CG2-CE 4.35Å; V65-M68 PolarHBondContact O-N 3Å; V65-A69 VanDerWaalsContact O-CB 3.29Å; V65-A69 WeakPolarHBondContact O-CB 3.36Å; V65-A69 PolarHBondContact O-N 3.04Å; V65-R96 HydrophobicContact CG1-CG 4.3Å; V65-R96 HydrophobicContact CG2-CG 4.23Å; V65-F100 HydrophobicContact CG1-CB 3.81Å; V65-F100 HydrophobicContact CG1-CD1 4.34Å; V65-F100 HydrophobicContact CG1-CD2 3.8Å; V65-F100 HydrophobicContact CG1-CE2 4.44Å; V65-F100 HydrophobicContact CG1-CG 3.75Å; V65-I205 HydrophobicContact CG2-CB 4.49Å
66D89.5Confident94.5Very high52 Ų5237 Ų3728%0.27820%0.203SC..Hα-helixtrans-57.8-44.3173.5-70.8-107.2000113.5T64 A69 N70 F100T64-D66 VanDerWaalsContact C-N 3.26Å; T64-D66 PolarHBondContact O-N 2.92Å; D66-A69 PolarHBondContact O-N 3.15Å; D66-N70 WeakPolarHBondContact O-CB 3.4Å; D66-N70 PolarHBondContact O-N 3.33Å; D66-N70 PolarHBondContact O-ND2 2.87Å; D66-F100 HydrophobicContact CB-CE1 4.2Å; D66-F100 HydrophobicContact CB-CZ 4.44Å; D66-F100 WeakPolarHBondContact OD1-CE1 3.25Å; D66-F100 VanDerWaalsContact OD1-CZ 3.26Å; D66-F100 WeakPolarHBondContact OD1-CZ 3.34Å; D66-F100 WeakPolarHBondContact OD2-CZ 3.46Å
67E92.5Very high94.3Very high47 Ų4736.6 Ų36.622%0.2220%0.201CC..Hα-helixtrans-65.9-43.9177.9-74.1175.2141.600111.4R52 S62 M63 T64 V65 N70 D71R52-E67 IonicContact NH1-OE1 3.22Å; R52-E67 IonicContact NH1-OE2 2.88Å; S62-E67 WeakPolarHBondContact CB-OE1 3.4Å; S62-E67 WeakPolarHBondContact CB-OE2 3.41Å; S62-E67 PolarHBondContact OG-OE1 2.83Å; S62-E67 PolarHBondContact OG-OE2 2.83Å; M63-E67 WeakPolarHBondContact CA-OE2 3.46Å; M63-E67 PolarHBondContact N-OE2 3.37Å; T64-E67 PolarHBondContact N-OE2 3.22Å; T64-E67 PolarHBondContact O-N 3.23Å; T64-E67 VanDerWaalsContact O-N 3.16Å; T64-E67 VanDerWaalsContact OG1-CG 3.28Å; T64-E67 WeakPolarHBondContact OG1-CG 3.42Å; T64-E67 PolarHBondContact OG1-N 2.87Å; V65-E67 PolarHBondContact O-N 2.85Å; E67-N70 WeakPolarHBondContact O-CB 3.26Å; E67-N70 PolarHBondContact O-N 2.8Å; E67-D71 PolarHBondContact O-N 3.28Å
68M94.9Very high94.1Very high1 Ų143.4 Ų43.41%0.00523%0.227CC..Hα-helixtrans-63.5-41175.5-75-175.1-7000112.2R52 M63 T64 V65 N70 D71 V72 L93 V97 I205R52-M68 HydrophobicContact CB-CG 3.74Å; M63-M68 HydrophobicContact CE-SD 4.36Å; M63-M68 VanDerWaalsContact O-CE 3.31Å; M63-M68 WeakPolarHBondContact O-CE 3.47Å; T64-M68 PolarHBondContact O-N 3.43Å; V65-M68 HydrophobicContact CG2-CE 4.35Å; V65-M68 PolarHBondContact O-N 3Å; M68-N70 VanDerWaalsContact C-N 3.34Å; M68-D71 PolarHBondContact O-N 2.78Å; M68-V72 WeakPolarHBondContact O-CG2 2.99Å; M68-V72 PolarHBondContact O-N 2.99Å; M68-L93 HydrophobicContact CE-CD1 3.89Å; M68-L93 HydrophobicContact SD-CD1 4.49Å; M68-L93 HydrophobicContact SD-CD2 4.3Å; M68-V97 HydrophobicContact CB-CG1 4.1Å; M68-V97 HydrophobicContact CB-CG2 3.66Å; M68-V97 HydrophobicContact CE-CG2 3.99Å; M68-V97 HydrophobicContact CG-CG2 4.46Å; M68-V97 HydrophobicContact SD-CG2 4.08Å; M68-I205 HydrophobicContact CE-CB 4.38Å; M68-I205 HydrophobicContact CE-CG2 4.06Å
69A92.7Very high94Very high0 Ų042.4 Ų42.40%022%0.219CC..Hα-helixtrans-63.2-41.8176.300000111.3V65 D66 D71 V72 I73 V97 F100 V101V65-A69 VanDerWaalsContact O-CB 3.29Å; V65-A69 WeakPolarHBondContact O-CB 3.36Å; V65-A69 PolarHBondContact O-N 3.04Å; D66-A69 PolarHBondContact O-N 3.15Å; A69-D71 PolarHBondContact O-N 2.8Å; A69-V72 PolarHBondContact O-N 2.95Å; A69-I73 VanDerWaalsContact O-CG1 3.3Å; A69-I73 WeakPolarHBondContact O-CG1 3.4Å; A69-I73 PolarHBondContact O-N 3.48Å; A69-V97 HydrophobicContact CB-CG1 4.44Å; A69-F100 HydrophobicContact CB-CB 4.38Å; A69-F100 HydrophobicContact CB-CD1 3.56Å; A69-F100 HydrophobicContact CB-CE1 4.32Å; A69-F100 HydrophobicContact CB-CG 4.39Å; A69-V101 HydrophobicContact CB-CG2 3.73Å
70N91.6Very high93.7Very high32 Ų3240.7 Ų40.717%0.17123%0.226CC..Hα-helixtrans-58.9-45.9172.4-83.6-53.2000112.7D66 E67 M68 V72 I73 N74 F108D66-N70 WeakPolarHBondContact O-CB 3.4Å; D66-N70 PolarHBondContact O-N 3.33Å; D66-N70 PolarHBondContact O-ND2 2.87Å; E67-N70 WeakPolarHBondContact O-CB 3.26Å; E67-N70 PolarHBondContact O-N 2.8Å; M68-N70 VanDerWaalsContact C-N 3.34Å; N70-V72 VanDerWaalsContact C-N 3.26Å; N70-V72 PolarHBondContact O-N 2.79Å; N70-I73 PolarHBondContact O-N 3.06Å; N70-N74 WeakPolarHBondContact O-CB 3.31Å; N70-N74 VanDerWaalsContact O-CG 3.22Å; N70-N74 PolarHBondContact O-N 3.33Å; N70-N74 PolarHBondContact O-ND2 2.92Å; N70-N74 VanDerWaalsContact O-ND2 3.16Å; N70-F108 WeakPolarHBondContact ND2-CZ 3.49Å; N70-F108 WeakPolarHBondContact OD1-CE1 3.36Å; N70-F108 WeakPolarHBondContact OD1-CZ 3.46Å
71D95.5Very high93.4Very high30 Ų3037.2 Ų37.216%0.1621%0.211CC..Hα-helixtrans-61-38.8179-66.2-28.2000111.1T2 R52 E67 M68 A69 L75T2-D71 WeakPolarHBondContact OG1-CB 3.28Å; R52-D71 IonicContact CZ-OD2 3.64Å; R52-D71 VanDerWaalsContact CZ-OD2 3.26Å; R52-D71 IonicContact NE-OD2 3.3Å; R52-D71 PolarHBondContact NE-OD2 3.39Å; R52-D71 IonicContact NH2-OD1 2.76Å; R52-D71 PolarHBondContact NH2-OD1 2.87Å; R52-D71 IonicContact NH2-OD2 4Å; R52-D71 PolarHBondContact NH2-OD2 2.82Å; E67-D71 PolarHBondContact O-N 3.28Å; M68-D71 PolarHBondContact O-N 2.78Å; A69-D71 PolarHBondContact O-N 2.8Å; D71-L75 PolarHBondContact O-N 2.98Å
72V95.2Very high92.6Very high1 Ų133.8 Ų33.81%0.00619%0.19CC..Hα-helixtrans-68.3-44.3174.8171.90000112L19 L21 L51 M68 A69 N70 N74 L75 I76 V97 V101L19-V72 HydrophobicContact CD2-CG1 4.1Å; L21-V72 HydrophobicContact CD1-CG1 4.29Å; L21-V72 HydrophobicContact CD1-CG2 3.97Å; L21-V72 HydrophobicContact CD2-CG1 4.46Å; L21-V72 HydrophobicContact CD2-CG2 3.94Å; L51-V72 HydrophobicContact CD2-CG2 3.96Å; M68-V72 WeakPolarHBondContact O-CG2 2.99Å; M68-V72 PolarHBondContact O-N 2.99Å; A69-V72 PolarHBondContact O-N 2.95Å; N70-V72 VanDerWaalsContact C-N 3.26Å; N70-V72 PolarHBondContact O-N 2.79Å; V72-N74 VanDerWaalsContact C-N 3.3Å; V72-N74 PolarHBondContact O-N 2.91Å; V72-L75 WeakPolarHBondContact O-CB 3.46Å; V72-L75 PolarHBondContact O-N 2.95Å; V72-L75 VanDerWaalsContact O-N 3.16Å; V72-I76 HydrophobicContact CG1-CD1 3.85Å; V72-I76 HydrophobicContact CG1-CG1 4.39Å; V72-I76 VanDerWaalsContact O-CG1 3.3Å; V72-I76 WeakPolarHBondContact O-CG1 3.36Å; V72-I76 PolarHBondContact O-N 3.24Å; V72-V97 HydrophobicContact CG2-CG1 3.89Å; V72-V101 HydrophobicContact CB-CG2 4.24Å; V72-V101 HydrophobicContact CG1-CG2 4.1Å
73I92.8Very high92Very high7 Ų735.4 Ų35.44%0.03620%0.198CC..Hα-helixtrans-60.2-43.7176.2-70.8162.3000110.4A69 N70 L75 I76 N77 V101 F108 L113 L116A69-I73 VanDerWaalsContact O-CG1 3.3Å; A69-I73 WeakPolarHBondContact O-CG1 3.4Å; A69-I73 PolarHBondContact O-N 3.48Å; N70-I73 PolarHBondContact O-N 3.06Å; I73-L75 VanDerWaalsContact C-N 3.32Å; I73-L75 PolarHBondContact O-N 3.42Å; I73-I76 PolarHBondContact O-N 3.03Å; I73-N77 PolarHBondContact O-N 3.45Å; I73-N77 PolarHBondContact O-ND2 3.39Å; I73-V101 HydrophobicContact CG1-CG1 4.1Å; I73-V101 HydrophobicContact CG1-CG2 4.25Å; I73-F108 HydrophobicContact CD1-CD2 4.27Å; I73-L113 HydrophobicContact CD1-CD1 4Å; I73-L116 HydrophobicContact CG1-CD1 4.08Å; I73-L116 HydrophobicContact CG2-CD1 4.14Å
74N92.9Very high91.5Very high91 Ų9138.3 Ų38.349%0.48721%0.214SC..Hα-helixtrans-61.5-40.4175.7-72.6-30.3000111.8N70 V72 Y78N70-N74 WeakPolarHBondContact O-CB 3.31Å; N70-N74 VanDerWaalsContact O-CG 3.22Å; N70-N74 PolarHBondContact O-N 3.33Å; N70-N74 PolarHBondContact O-ND2 2.92Å; N70-N74 VanDerWaalsContact O-ND2 3.16Å; V72-N74 VanDerWaalsContact C-N 3.3Å; V72-N74 PolarHBondContact O-N 2.91Å; N74-Y78 VanDerWaalsContact O-CB 3.24Å; N74-Y78 WeakPolarHBondContact O-CB 3.3Å; N74-Y78 PolarHBondContact O-N 2.88Å
75L95.2Very high91.4Very high0 Ų040.2 Ų40.20%022%0.219CC..Hα-helixtrans-62.9-46.8173.7178.870.3000111.8M1 T2 Y4 L19 A49 D71 V72 I73 N77 Y78 L79M1-L75 HydrophobicContact CE-CD1 4.18Å; T2-L75 HydrophobicContact CG2-CD2 3.85Å; Y4-L75 HydrophobicContact CD1-CD1 3.46Å; Y4-L75 VanDerWaalsContact CD1-CD1 3.46Å; Y4-L75 HydrophobicContact CE1-CD1 4.05Å; Y4-L75 HydrophobicContact CG-CD1 4.09Å; L19-L75 HydrophobicContact CD1-CD2 4.09Å; L19-L75 HydrophobicContact CD2-CD2 4.19Å; A49-L75 HydrophobicContact CB-CD2 3.58Å; D71-L75 PolarHBondContact O-N 2.98Å; V72-L75 WeakPolarHBondContact O-CB 3.46Å; V72-L75 PolarHBondContact O-N 2.95Å; V72-L75 VanDerWaalsContact O-N 3.16Å; I73-L75 VanDerWaalsContact C-N 3.32Å; I73-L75 PolarHBondContact O-N 3.42Å; L75-N77 VanDerWaalsContact C-N 3.32Å; L75-N77 PolarHBondContact O-N 3.39Å; L75-Y78 PolarHBondContact O-N 2.65Å; L75-L79 HydrophobicContact CD1-CD1 3.86Å; L75-L79 HydrophobicContact CD1-CG 4.04Å; L75-L79 HydrophobicContact CD2-CD1 4.33Å; L75-L79 HydrophobicContact CG-CD1 3.8Å; L75-L79 HydrophobicContact CG-CG 4.3Å; L75-L79 WeakPolarHBondContact O-CB 3.44Å; L75-L79 VanDerWaalsContact O-CG 3.28Å; L75-L79 WeakPolarHBondContact O-CG 3.26Å; L75-L79 PolarHBondContact O-N 3.22Å
76I94Very high91.6Very high0 Ų039.8 Ų39.80%022%0.217CC..Hα-helixtrans-57.5-46.9179.5-70.4167.2000110.3L19 V72 I73 L79 G80 L81 L86 V101 L116 I117L19-I76 HydrophobicContact CD2-CD1 4.3Å; L19-I76 HydrophobicContact CD2-CG1 3.86Å; V72-I76 HydrophobicContact CG1-CD1 3.85Å; V72-I76 HydrophobicContact CG1-CG1 4.39Å; V72-I76 VanDerWaalsContact O-CG1 3.3Å; V72-I76 WeakPolarHBondContact O-CG1 3.36Å; V72-I76 PolarHBondContact O-N 3.24Å; I73-I76 PolarHBondContact O-N 3.03Å; I76-L79 PolarHBondContact O-N 3.01Å; I76-G80 PolarHBondContact O-N 2.84Å; I76-L81 HydrophobicContact CG2-CB 4.01Å; I76-L81 PolarHBondContact O-N 3.1Å; I76-L86 HydrophobicContact CB-CD2 4.43Å; I76-L86 HydrophobicContact CD1-CD2 3.65Å; I76-L86 HydrophobicContact CG1-CD2 3.64Å; I76-L86 HydrophobicContact CG2-CD2 3.92Å; I76-V101 HydrophobicContact CD1-CG1 4.42Å; I76-L116 HydrophobicContact CD1-CD1 4.45Å; I76-L116 HydrophobicContact CG2-CB 4.46Å; I76-L116 HydrophobicContact CG2-CD1 4.33Å; I76-L116 HydrophobicContact CG2-CD2 4.27Å; I76-I117 HydrophobicContact CD1-CD1 3.97Å
77N92Very high92Very high74 Ų7437.3 Ų37.340%0.39620%0.204SC..Hα-helixtrans-63.6-45.9176.6-71.3-34.8000111.8I73 L75 L79 G80 S82I73-N77 PolarHBondContact O-N 3.45Å; I73-N77 PolarHBondContact O-ND2 3.39Å; L75-N77 VanDerWaalsContact C-N 3.32Å; L75-N77 PolarHBondContact O-N 3.39Å; N77-L79 VanDerWaalsContact C-N 3.26Å; N77-L79 PolarHBondContact O-N 3.32Å; N77-G80 PolarHBondContact O-N 2.84Å; N77-S82 PolarHBondContact OD1-OG 3.32Å
78Y93.6Very high92.2Very high147 Ų14735.1 Ų35.158%0.57619%0.193SC*.Hα-helixtrans-58.7-38178.1172.8-93.5000112.4M1 Y4 N74 L75 G80M1-Y78 HydrophobicContact CE-CD1 3.4Å; M1-Y78 HydrophobicContact CE-CD2 4.15Å; M1-Y78 HydrophobicContact CE-CE1 3.53Å; M1-Y78 HydrophobicContact CE-CE2 4.25Å; M1-Y78 HydrophobicContact CE-CG 3.73Å; M1-Y78 HydrophobicContact SD-CD1 4.23Å; M1-Y78 HydrophobicContact SD-CD2 3.95Å; M1-Y78 HydrophobicContact SD-CE2 4.26Å; M1-Y78 HydrophobicContact SD-CG 3.92Å; Y4-Y78 HydrophobicContact CE1-CD1 4.44Å; Y4-Y78 HydrophobicContact CE1-CE1 4.06Å; N74-Y78 VanDerWaalsContact O-CB 3.24Å; N74-Y78 WeakPolarHBondContact O-CB 3.3Å; N74-Y78 PolarHBondContact O-N 2.88Å; L75-Y78 PolarHBondContact O-N 2.65Å; Y78-G80 VanDerWaalsContact C-N 3.28Å; Y78-G80 PolarHBondContact O-N 3.28Å
79L93.7Very high92.4Very high30 Ų3035 Ų3516%0.15719%0.193CC..THydrogen-bonded Turntrans-80.7-4.8178.8-66.8176.5000113.8Y4 Y47 L75 I76 N77 L81Y4-L79 HydrophobicContact CD1-CD2 4.45Å; Y4-L79 HydrophobicContact CD2-CD2 4.26Å; Y4-L79 HydrophobicContact CE1-CD2 3.88Å; Y4-L79 HydrophobicContact CE2-CD2 3.66Å; Y4-L79 VanDerWaalsContact CZ-CD2 3.45Å; Y47-L79 HydrophobicContact CD1-CD1 3.72Å; Y47-L79 HydrophobicContact CD1-CD2 4.45Å; Y47-L79 HydrophobicContact CE1-CD1 3.83Å; Y47-L79 HydrophobicContact CE1-CD2 3.95Å; Y47-L79 HydrophobicContact CE1-CG 4.41Å; Y47-L79 HydrophobicContact CG-CD1 4.21Å; L75-L79 HydrophobicContact CD1-CD1 3.86Å; L75-L79 HydrophobicContact CD1-CG 4.04Å; L75-L79 HydrophobicContact CD2-CD1 4.33Å; L75-L79 HydrophobicContact CG-CD1 3.8Å; L75-L79 HydrophobicContact CG-CG 4.3Å; L75-L79 WeakPolarHBondContact O-CB 3.44Å; L75-L79 VanDerWaalsContact O-CG 3.28Å; L75-L79 WeakPolarHBondContact O-CG 3.26Å; L75-L79 PolarHBondContact O-N 3.22Å; I76-L79 PolarHBondContact O-N 3.01Å; N77-L79 VanDerWaalsContact C-N 3.26Å; N77-L79 PolarHBondContact O-N 3.32Å; L79-L81 VanDerWaalsContact C-N 3.3Å; L79-L81 HydrophobicContact CB-CD1 3.75Å; L79-L81 HydrophobicContact CB-CG 3.63Å; L79-L81 HydrophobicContact CD1-CD1 3.73Å; L79-L81 HydrophobicContact CG-CD1 4.41Å; L79-L81 PolarHBondContact O-N 2.93Å
80G91.1Very high92.6Very high55 Ų5535 Ų3557%0.56719%0.193SC*.THydrogen-bonded Turntrans67.328.9-17500000113.5I76 N77 Y78I76-G80 PolarHBondContact O-N 2.84Å; N77-G80 PolarHBondContact O-N 2.84Å; Y78-G80 VanDerWaalsContact C-N 3.28Å; Y78-G80 PolarHBondContact O-N 3.28Å
81L90.8Very high92.8Very high11 Ų1133.7 Ų33.76%0.05819%0.185CC..  trans-946.6-176.7-59.3177.8000113.6P17 Y47 I76 L79 T83 L86P17-L81 HydrophobicContact CB-CD2 3.74Å; P17-L81 HydrophobicContact CG-CD2 3.8Å; Y47-L81 HydrophobicContact CD2-CD1 3.85Å; Y47-L81 HydrophobicContact CE2-CD1 3.72Å; Y47-L81 HydrophobicContact CE2-CD2 3.85Å; Y47-L81 HydrophobicContact CE2-CG 4.38Å; Y47-L81 HydrophobicContact CG-CD1 4.43Å; I76-L81 HydrophobicContact CG2-CB 4.01Å; I76-L81 PolarHBondContact O-N 3.1Å; L79-L81 VanDerWaalsContact C-N 3.3Å; L79-L81 HydrophobicContact CB-CD1 3.75Å; L79-L81 HydrophobicContact CB-CG 3.63Å; L79-L81 HydrophobicContact CD1-CD1 3.73Å; L79-L81 HydrophobicContact CG-CD1 4.41Å; L79-L81 PolarHBondContact O-N 2.93Å; L81-T83 PolarHBondContact O-N 3.44Å; L81-L86 HydrophobicContact CB-CD1 4.44Å; L81-L86 HydrophobicContact CB-CD2 4.24Å; L81-L86 HydrophobicContact CD1-CD1 4.19Å
82S81.9Confident92.7Very high37 Ų3733.6 Ų33.626%0.25919%0.187SC..  trans-77.261.3-178.3-51.60000111.8N77 L116N77-S82 PolarHBondContact OD1-OG 3.32Å; S82-L116 VanDerWaalsContact CB-CD2 3.46Å; S82-L116 WeakPolarHBondContact OG-CD2 3.44Å
83T81.7Confident92.7Very high70 Ų7034 Ų3443%0.42919%0.189SC..SBendtrans-115.92.5-167.363.90000115L81 E85L81-T83 PolarHBondContact O-N 3.44Å; T83-E85 PolarHBondContact O-N 2.79Å; T83-E85 PolarHBondContact OG1-N 2.86Å
84N85.9Confident92.9Very high62 Ų6233.6 Ų33.633%0.33219%0.187SC..SBendtrans64.15.3-168.1-158.712.3000115E115 G118 K218N84-E115 WeakPolarHBondContact CA-O 3.3Å; N84-E115 HydrophobicContact CB-CB 4.15Å; N84-E115 WeakPolarHBondContact CB-O 3.46Å; N84-E115 PolarHBondContact N-O 3.23Å; N84-E115 PolarHBondContact ND2-OE2 2.91Å; N84-E115 WeakPolarHBondContact OD1-CB 3.31Å; N84-E115 PolarHBondContact OD1-OE2 3.48Å; N84-G118 WeakPolarHBondContact O-CA 3.39Å; N84-G118 PolarHBondContact O-N 3.01Å; N84-K218 WeakPolarHBondContact OD1-CE 3.24Å; N84-K218 PolarHBondContact OD1-NZ 3.4Å
85E90.5Very high93Very high89 Ų8929.3 Ų29.342%0.41616%0.164SC..  trans-114-5.1-178.6-60.8-166126.200112.9R16 T83 S87R16-E85 WeakPolarHBondContact CB-O 3.45Å; R16-E85 HydrophobicContact CG-CB 4.05Å; R16-E85 IonicContact NE-OE1 3.92Å; T83-E85 PolarHBondContact O-N 2.79Å; T83-E85 PolarHBondContact OG1-N 2.86Å; E85-S87 PolarHBondContact O-N 2.78Å
86L95.3Very high92.9Very high0 Ų029.9 Ų29.90%017%0.166CC..EExtended strand (participates in β ladder)trans-62128.8-179.3179.860.4000110.6P17 L19 I76 L81 L116 I117 G118 R119P17-L86 HydrophobicContact CB-CD1 4.22Å; P17-L86 HydrophobicContact CG-CD1 4.15Å; L19-L86 HydrophobicContact CB-CD1 4.06Å; L19-L86 HydrophobicContact CB-CD2 4.46Å; I76-L86 HydrophobicContact CB-CD2 4.43Å; I76-L86 HydrophobicContact CD1-CD2 3.65Å; I76-L86 HydrophobicContact CG1-CD2 3.64Å; I76-L86 HydrophobicContact CG2-CD2 3.92Å; L81-L86 HydrophobicContact CB-CD1 4.44Å; L81-L86 HydrophobicContact CB-CD2 4.24Å; L81-L86 HydrophobicContact CD1-CD1 4.19Å; L86-L116 WeakPolarHBondContact CB-O 3.28Å; L86-I117 HydrophobicContact CB-CD1 4.22Å; L86-I117 HydrophobicContact CD2-CD1 3.59Å; L86-I117 HydrophobicContact CG-CD1 4Å; L86-I117 CarbonylContact O-C 3.47Å; L86-I117 WeakPolarHBondContact O-CA 3.43Å; L86-I117 WeakPolarHBondContact O-CG2 3.09Å; L86-G118 PolarHBondContact O-N 2.88Å; L86-R119 PolarHBondContact O-N 3.24Å
87S97Very high92.9Very high0 Ų029.9 Ų29.90%017%0.166CC..EExtended strand (participates in β ladder)trans-89.6116.9166.2-60.90000109.5P17 A18 L19 E85 R119 L269P17-S87 PolarHBondContact O-N 2.92Å; A18-S87 CarbonylContact C-O 3.56Å; A18-S87 WeakPolarHBondContact CA-O 3.4Å; L19-S87 PolarHBondContact N-O 2.99Å; E85-S87 PolarHBondContact O-N 2.78Å; S87-R119 CarbonylContact C-O 3.58Å; S87-R119 WeakPolarHBondContact CA-O 3.46Å; S87-L269 VanDerWaalsContact CB-CD2 3.41Å
88L97.5Very high93.1Very high0 Ų026.3 Ų26.30%015%0.148CC..EExtended strand (participates in β ladder)trans-100124.1176.9-166.460.5000109.7L19 L21 A98 V101 I117 R119 L120 L121L19-L88 HydrophobicContact CB-CD1 3.92Å; L19-L88 HydrophobicContact CD2-CD1 3.89Å; L19-L88 HydrophobicContact CG-CD1 3.93Å; L21-L88 HydrophobicContact CD1-CD1 4.17Å; L21-L88 HydrophobicContact CG-CD1 4.2Å; L88-A98 HydrophobicContact CD2-CB 3.63Å; L88-A98 HydrophobicContact CG-CB 3.74Å; L88-V101 HydrophobicContact CD2-CB 4.08Å; L88-V101 HydrophobicContact CD2-CG1 4.01Å; L88-I117 HydrophobicContact CB-CD1 3.93Å; L88-I117 HydrophobicContact CB-CG1 4.18Å; L88-I117 HydrophobicContact CB-CG2 3.7Å; L88-I117 HydrophobicContact CD2-CD1 3.94Å; L88-I117 HydrophobicContact CD2-CG1 4.05Å; L88-I117 HydrophobicContact CG-CD1 4.43Å; L88-R119 PolarHBondContact N-O 2.99Å; L88-L120 HydrophobicContact CB-CD1 4.19Å; L88-L120 WeakPolarHBondContact O-CA 3.24Å; L88-L121 PolarHBondContact O-N 3.34Å
89I98.4Very high93.1Very high0 Ų019.3 Ų19.30%012%0.12CC..EExtended strand (participates in β ladder)trans-115126.5-179.7-47.9-176.9000107.6A18 L19 I20 L21 L38 L121 V123 L269A18-I89 HydrophobicContact CB-CD1 4.49Å; L19-I89 PolarHBondContact O-N 3.32Å; I20-I89 CarbonylContact C-O 3.51Å; I20-I89 WeakPolarHBondContact CA-O 3.04Å; I20-I89 HydrophobicContact CB-CB 4.45Å; I20-I89 HydrophobicContact CD1-CD1 4.39Å; I20-I89 HydrophobicContact CG1-CB 4.15Å; I20-I89 HydrophobicContact CG1-CD1 4.06Å; I20-I89 HydrophobicContact CG1-CG1 4.41Å; I20-I89 HydrophobicContact CG2-CB 4.32Å; I20-I89 HydrophobicContact CG2-CG2 4.37Å; L21-I89 PolarHBondContact N-O 3.44Å; L38-I89 HydrophobicContact CD1-CD1 4.4Å; I89-L121 CarbonylContact C-O 3.56Å; I89-L121 VanDerWaalsContact CA-O 3.28Å; I89-L121 WeakPolarHBondContact CA-O 3.4Å; I89-L121 HydrophobicContact CB-CB 4.41Å; I89-L121 HydrophobicContact CD1-CD2 4.24Å; I89-L121 HydrophobicContact CG1-CB 4.13Å; I89-L121 HydrophobicContact CG1-CD2 4.35Å; I89-L121 HydrophobicContact CG2-CB 4.16Å; I89-L121 HydrophobicContact CG2-CD2 3.93Å; I89-L121 HydrophobicContact CG2-CG 4.09Å; I89-V123 HydrophobicContact CG2-CG2 4.32Å; I89-L269 HydrophobicContact CD1-CD1 3.77Å; I89-L269 HydrophobicContact CD1-CD2 4.39Å
90G97.9Very high93Very high0 Ų018.1 Ų18.10%011%0.113CC..EExtended strand (participates in β ladder)trans-136.2127.5-178.500000112.3G94 G95 L121 V123G90-G94 VanDerWaalsContact CA-C 3.41Å; G90-G94 WeakPolarHBondContact CA-O 3.49Å; G90-G95 VanDerWaalsContact C-CA 3.4Å; G90-G95 VanDerWaalsContact O-CA 3.29Å; G90-G95 WeakPolarHBondContact O-CA 3.25Å; G90-L121 PolarHBondContact N-O 3.34Å; G90-V123 PolarHBondContact O-N 2.67Å
91H96.5Very high93.1Very high3 Ų315.6 Ų15.61%0.0149%0.087CC..EExtended strand (participates in β ladder)trans-101.8129.1174.1168.8-118.4000111.8L21 H22 G23 W31 L93 G94 G95 V123 H251 W252 H254L21-H91 PolarHBondContact O-N 2.92Å; H22-H91 CarbonylContact C-O 3.56Å; G23-H91 VanDerWaalsContact CA-O 3.25Å; G23-H91 WeakPolarHBondContact CA-O 3.49Å; G23-H91 PolarHBondContact N-O 3.38Å; W31-H91 HydrophobicContact CH2-CB 4.23Å; W31-H91 HydrophobicContact CZ2-CB 3.5Å; W31-H91 VanDerWaalsContact CZ2-CB 3.5Å; H91-L93 PolarHBondContact O-N 2.73Å; H91-L93 VanDerWaalsContact O-N 3.09Å; H91-G94 WeakPolarHBondContact O-CA 3.44Å; H91-G94 PolarHBondContact O-N 3.43Å; H91-G95 PolarHBondContact O-N 2.83Å; H91-V123 CarbonylContact C-O 3.39Å; H91-V123 VanDerWaalsContact CA-O 3.31Å; H91-V123 WeakPolarHBondContact CA-O 3.19Å; H91-V123 HydrophobicContact CB-CB 4.13Å; H91-V123 PolarHBondContact CD2-O 3.22Å; H91-H251 AromaticContact CE1-CD2 3.82Å; H91-H251 AromaticContact CE1-NE2 3.56Å; H91-H251 AromaticContact NE2-CD2 3.82Å; H91-H251 AromaticContact NE2-CE1 3.81Å; H91-H251 AromaticContact NE2-NE2 3.57Å; H91-H251 PolarHBondContact NE2-O 3.47Å; H91-W252 AromaticContact CE1-CD1 3.82Å; H91-H254 AromaticContact CE1-CE1 3.98Å; H91-H254 AromaticContact ND1-CE1 3.84Å
92S93.6Very high93.1Very high29 Ų2915.1 Ų15.120%0.2039%0.085CC..THydrogen-bonded Turntrans53.6-114.5174.2-176.60000111.9G94 G95 R96 V123 H251S92-G94 VanDerWaalsContact C-N 3.3Å; S92-G94 PolarHBondContact O-N 3.05Å; S92-G95 WeakPolarHBondContact O-CA 3.49Å; S92-G95 PolarHBondContact O-N 3.44Å; S92-R96 PolarHBondContact O-N 3.5Å; S92-V123 PolarHBondContact N-O 3.07Å; S92-H251 WeakPolarHBondContact CB-CE1 3.45Å; S92-H251 WeakPolarHBondContact CB-NE2 3.32Å; S92-H251 PolarHBondContact OG-CE1 3.35Å; S92-H251 PolarHBondContact OG-NE2 3.46Å
93L94.7Very high93.5Very high8 Ų813.5 Ų13.54%0.0427%0.073CC..Hα-helixtrans-51.5-46170.2-179.762.4000112.5L24 L51 M68 H91 G95 R96 V97 I205L24-L93 HydrophobicContact CB-CB 4.35Å; L24-L93 HydrophobicContact CB-CD2 4.34Å; L24-L93 HydrophobicContact CD1-CD2 3.97Å; L51-L93 HydrophobicContact CD1-CD2 4.27Å; L51-L93 HydrophobicContact CD1-CG 4.21Å; M68-L93 HydrophobicContact CE-CD1 3.89Å; M68-L93 HydrophobicContact SD-CD1 4.49Å; M68-L93 HydrophobicContact SD-CD2 4.3Å; H91-L93 PolarHBondContact O-N 2.73Å; H91-L93 VanDerWaalsContact O-N 3.09Å; L93-G95 PolarHBondContact O-N 2.88Å; L93-R96 VanDerWaalsContact O-CB 3.31Å; L93-R96 WeakPolarHBondContact O-CB 3.31Å; L93-R96 PolarHBondContact O-N 3.42Å; L93-R96 VanDerWaalsContact O-N 3.1Å; L93-V97 WeakPolarHBondContact O-CG2 3.22Å; L93-V97 PolarHBondContact O-N 3.33Å; L93-I205 HydrophobicContact CD1-CB 4.22Å; L93-I205 HydrophobicContact CD1-CD1 4.02Å; L93-I205 HydrophobicContact CD1-CG1 4.32Å; L93-I205 HydrophobicContact CD2-CD1 4.33Å
94G96.5Very high93.4Very high0 Ų011.2 Ų11.20%06%0.058CC..Hα-helixtrans-62.7-31.3174.500000112.7H22 G90 H91 S92 R96 A98H22-G94 VanDerWaalsContact O-CA 3.3Å; H22-G94 WeakPolarHBondContact O-CA 3.37Å; H22-G94 PolarHBondContact O-N 2.82Å; H22-G94 VanDerWaalsContact O-N 3.12Å; G90-G94 VanDerWaalsContact CA-C 3.41Å; G90-G94 WeakPolarHBondContact CA-O 3.49Å; H91-G94 WeakPolarHBondContact O-CA 3.44Å; H91-G94 PolarHBondContact O-N 3.43Å; S92-G94 VanDerWaalsContact C-N 3.3Å; S92-G94 PolarHBondContact O-N 3.05Å; G94-R96 VanDerWaalsContact C-N 3.35Å; G94-A98 WeakPolarHBondContact O-CB 3.39Å; G94-A98 PolarHBondContact O-N 3.38Å
95G95.1Very high92.6Very high0 Ų08.7 Ų8.70%04%0.044CC..Hα-helixtrans-66.4-37.7172.400000112.2G90 H91 S92 L93 S99 L122G90-G95 VanDerWaalsContact C-CA 3.4Å; G90-G95 VanDerWaalsContact O-CA 3.29Å; G90-G95 WeakPolarHBondContact O-CA 3.25Å; H91-G95 PolarHBondContact O-N 2.83Å; S92-G95 WeakPolarHBondContact O-CA 3.49Å; S92-G95 PolarHBondContact O-N 3.44Å; L93-G95 PolarHBondContact O-N 2.88Å; G95-S99 VanDerWaalsContact O-CB 3.28Å; G95-S99 WeakPolarHBondContact O-CB 3.34Å; G95-S99 PolarHBondContact O-N 3.25Å; G95-S99 PolarHBondContact O-OG 3.03Å; G95-L122 WeakPolarHBondContact O-CD2 3.5Å
96R93.2Very high91Very high12 Ų128.8 Ų8.85%0.0455%0.05CC..Hα-helixtrans-66.5-48.6174.8-169.2171.2-69.8-109.1-5.9112.2V65 S92 L93 G94 S99 F100 F125 R128 I205 L206 R207 F208V65-R96 HydrophobicContact CG1-CG 4.3Å; V65-R96 HydrophobicContact CG2-CG 4.23Å; S92-R96 PolarHBondContact O-N 3.5Å; L93-R96 VanDerWaalsContact O-CB 3.31Å; L93-R96 WeakPolarHBondContact O-CB 3.31Å; L93-R96 PolarHBondContact O-N 3.42Å; L93-R96 VanDerWaalsContact O-N 3.1Å; G94-R96 VanDerWaalsContact C-N 3.35Å; R96-S99 PolarHBondContact O-N 3.22Å; R96-F100 WeakPolarHBondContact O-CB 3.25Å; R96-F100 PolarHBondContact O-N 3.07Å; R96-F125 HydrophobicContact CB-CD2 4.1Å; R96-F125 HydrophobicContact CB-CE2 3.75Å; R96-F125 HydrophobicContact CG-CE2 4.13Å; R96-R128 PolarHBondContact NH2-O 3.3Å; R96-I205 WeakPolarHBondContact CD-O 3.41Å; R96-L206 PolarHBondContact NH1-O 2.96Å; R96-R207 PolarHBondContact NH1-O 2.9Å; R96-F208 HydrophobicContact CG-CD2 3.7Å; R96-F208 HydrophobicContact CG-CE2 4.07Å
97V94.9Very high89.1Confident0 Ų011.3 Ų11.30%07%0.066CC..Hα-helixtrans-61.3-45.6175.1177.10000110.6L21 L51 M68 A69 V72 L93 S99 F100 V101L21-V97 HydrophobicContact CD1-CB 4.26Å; L21-V97 HydrophobicContact CD1-CG1 4Å; L51-V97 HydrophobicContact CD1-CG2 4.45Å; L51-V97 HydrophobicContact CD2-CG1 4.26Å; M68-V97 HydrophobicContact CB-CG1 4.1Å; M68-V97 HydrophobicContact CB-CG2 3.66Å; M68-V97 HydrophobicContact CE-CG2 3.99Å; M68-V97 HydrophobicContact CG-CG2 4.46Å; M68-V97 HydrophobicContact SD-CG2 4.08Å; A69-V97 HydrophobicContact CB-CG1 4.44Å; V72-V97 HydrophobicContact CG2-CG1 3.89Å; L93-V97 WeakPolarHBondContact O-CG2 3.22Å; L93-V97 PolarHBondContact O-N 3.33Å; V97-S99 PolarHBondContact O-N 3.03Å; V97-F100 WeakPolarHBondContact O-CB 3.35Å; V97-F100 PolarHBondContact O-N 3.38Å; V97-V101 HydrophobicContact CG1-CG2 4.47Å; V97-V101 WeakPolarHBondContact O-CG2 3.47Å; V97-V101 PolarHBondContact O-N 3.24Å
98A95.4Very high87Confident0 Ų012.1 Ų12.10%07%0.07CC..Hα-helixtrans-60.9-43.3178.300000112.6L21 L88 G94 F100 V101 A102 L120 L122L21-A98 HydrophobicContact CD1-CB 4.13Å; L88-A98 HydrophobicContact CD2-CB 3.63Å; L88-A98 HydrophobicContact CG-CB 3.74Å; G94-A98 WeakPolarHBondContact O-CB 3.39Å; G94-A98 PolarHBondContact O-N 3.38Å; A98-F100 VanDerWaalsContact C-N 3.33Å; A98-F100 PolarHBondContact O-N 3.49Å; A98-V101 PolarHBondContact O-N 3.3Å; A98-A102 WeakPolarHBondContact O-CB 3.48Å; A98-A102 PolarHBondContact O-N 2.98Å; A98-L120 HydrophobicContact CB-CD1 3.86Å; A98-L122 HydrophobicContact CB-CD2 4.17Å
99S93.3Very high85.2Confident0 Ų020.6 Ų20.60%010%0.101CC..Hα-helixtrans-62.2-41.9175.5-61.80000111.7G95 R96 V97 A102 L103 L122 F125G95-S99 VanDerWaalsContact O-CB 3.28Å; G95-S99 WeakPolarHBondContact O-CB 3.34Å; G95-S99 PolarHBondContact O-N 3.25Å; G95-S99 PolarHBondContact O-OG 3.03Å; R96-S99 PolarHBondContact O-N 3.22Å; V97-S99 PolarHBondContact O-N 3.03Å; S99-A102 PolarHBondContact O-N 2.8Å; S99-L103 WeakPolarHBondContact O-CB 3.12Å; S99-L103 WeakPolarHBondContact O-CD1 3.44Å; S99-L103 VanDerWaalsContact O-CG 3.27Å; S99-L103 WeakPolarHBondContact O-CG 3.29Å; S99-L103 PolarHBondContact O-N 3.18Å; S99-L122 VanDerWaalsContact OG-CD1 3.25Å; S99-L122 WeakPolarHBondContact OG-CD1 3.39Å; S99-L122 WeakPolarHBondContact OG-CD2 3.42Å; S99-F125 VanDerWaalsContact OG-CE1 3.25Å; S99-F125 WeakPolarHBondContact OG-CE1 3.45Å; S99-F125 WeakPolarHBondContact OG-CZ 3.31Å
100F92Very high82.9Confident4 Ų431.1 Ų31.12%0.01814%0.143CC..Hα-helixtrans-63.4-46.5177.9-156.6-94.5000111.5V65 D66 A69 R96 V97 A98 A102 L103 Q104 I210V65-F100 HydrophobicContact CG1-CB 3.81Å; V65-F100 HydrophobicContact CG1-CD1 4.34Å; V65-F100 HydrophobicContact CG1-CD2 3.8Å; V65-F100 HydrophobicContact CG1-CE2 4.44Å; V65-F100 HydrophobicContact CG1-CG 3.75Å; D66-F100 HydrophobicContact CB-CE1 4.2Å; D66-F100 HydrophobicContact CB-CZ 4.44Å; D66-F100 WeakPolarHBondContact OD1-CE1 3.25Å; D66-F100 VanDerWaalsContact OD1-CZ 3.26Å; D66-F100 WeakPolarHBondContact OD1-CZ 3.34Å; D66-F100 WeakPolarHBondContact OD2-CZ 3.46Å; A69-F100 HydrophobicContact CB-CB 4.38Å; A69-F100 HydrophobicContact CB-CD1 3.56Å; A69-F100 HydrophobicContact CB-CE1 4.32Å; A69-F100 HydrophobicContact CB-CG 4.39Å; R96-F100 WeakPolarHBondContact O-CB 3.25Å; R96-F100 PolarHBondContact O-N 3.07Å; V97-F100 WeakPolarHBondContact O-CB 3.35Å; V97-F100 PolarHBondContact O-N 3.38Å; A98-F100 VanDerWaalsContact C-N 3.33Å; A98-F100 PolarHBondContact O-N 3.49Å; F100-A102 VanDerWaalsContact C-N 3.3Å; F100-A102 PolarHBondContact O-N 3.03Å; F100-L103 PolarHBondContact O-N 2.85Å; F100-Q104 HydrophobicContact CD1-CG 4.37Å; F100-Q104 HydrophobicContact CE1-CG 4.32Å; F100-Q104 WeakPolarHBondContact O-CB 3.4Å; F100-Q104 PolarHBondContact O-N 2.87Å; F100-Q104 VanDerWaalsContact O-N 3.07Å; F100-I210 HydrophobicContact CD2-CD1 3.41Å; F100-I210 VanDerWaalsContact CD2-CD1 3.41Å; F100-I210 HydrophobicContact CE2-CD1 3.81Å; F100-I210 HydrophobicContact CG-CD1 4.28Å
101V92Very high80.8Confident2 Ų236.7 Ų36.71%0.01217%0.172CC..Hα-helixtrans-58-42.2174.1171.80000111.4A69 V72 I73 I76 L88 V97 A98 Q105 I117A69-V101 HydrophobicContact CB-CG2 3.73Å; V72-V101 HydrophobicContact CB-CG2 4.24Å; V72-V101 HydrophobicContact CG1-CG2 4.1Å; I73-V101 HydrophobicContact CG1-CG1 4.1Å; I73-V101 HydrophobicContact CG1-CG2 4.25Å; I76-V101 HydrophobicContact CD1-CG1 4.42Å; L88-V101 HydrophobicContact CD2-CB 4.08Å; L88-V101 HydrophobicContact CD2-CG1 4.01Å; V97-V101 HydrophobicContact CG1-CG2 4.47Å; V97-V101 WeakPolarHBondContact O-CG2 3.47Å; V97-V101 PolarHBondContact O-N 3.24Å; A98-V101 PolarHBondContact O-N 3.3Å; V101-Q105 WeakPolarHBondContact O-CG 3.37Å; V101-I117 HydrophobicContact CG1-CD1 4.36Å; V101-I117 HydrophobicContact CG1-CG1 4.2Å
102A92.6Very high78.8Confident2 Ų242.7 Ų42.72%0.01721%0.209CC..Hα-helixtrans-69.3-41.6179.500000112.9A98 S99 F100 Q104 Q105 L120 F216A98-A102 WeakPolarHBondContact O-CB 3.48Å; A98-A102 PolarHBondContact O-N 2.98Å; S99-A102 PolarHBondContact O-N 2.8Å; F100-A102 VanDerWaalsContact C-N 3.3Å; F100-A102 PolarHBondContact O-N 3.03Å; A102-Q104 VanDerWaalsContact C-N 3.34Å; A102-Q104 PolarHBondContact O-N 2.77Å; A102-Q105 VanDerWaalsContact O-CG 3.29Å; A102-Q105 WeakPolarHBondContact O-CG 3.41Å; A102-L120 HydrophobicContact CB-CD1 4.28Å; A102-L120 HydrophobicContact CB-CD2 3.82Å; A102-F216 HydrophobicContact CB-CB 4.45Å; A102-F216 HydrophobicContact CB-CD1 4.18Å; A102-F216 HydrophobicContact CB-CD2 3.8Å; A102-F216 HydrophobicContact CB-CE1 4.35Å; A102-F216 HydrophobicContact CB-CE2 3.99Å; A102-F216 HydrophobicContact CB-CG 3.89Å; A102-F216 HydrophobicContact CB-CZ 4.25Å; A102-F216 VanDerWaalsContact O-CD2 3.31Å; A102-F216 WeakPolarHBondContact O-CD2 3.22Å
103L90.3Very high77.3Confident3 Ų342.8 Ų42.82%0.01621%0.207CC..Hα-helixtrans-76.2-20.5-177.1-70.8164.5000113.5S99 F100 F208 I210 F216 L237 F238S99-L103 WeakPolarHBondContact O-CB 3.12Å; S99-L103 WeakPolarHBondContact O-CD1 3.44Å; S99-L103 VanDerWaalsContact O-CG 3.27Å; S99-L103 WeakPolarHBondContact O-CG 3.29Å; S99-L103 PolarHBondContact O-N 3.18Å; F100-L103 PolarHBondContact O-N 2.85Å; L103-F208 HydrophobicContact CD1-CE1 4.24Å; L103-F208 HydrophobicContact CD1-CZ 3.87Å; L103-I210 HydrophobicContact CB-CD1 4.28Å; L103-I210 HydrophobicContact CB-CG2 4.46Å; L103-I210 HydrophobicContact CD1-CD1 3.77Å; L103-I210 HydrophobicContact CD1-CG1 3.87Å; L103-I210 HydrophobicContact CD1-CG2 4.14Å; L103-F216 HydrophobicContact CD2-CB 3.96Å; L103-L237 HydrophobicContact CD1-CD1 4.35Å; L103-L237 HydrophobicContact CD1-CD2 4.2Å; L103-L237 HydrophobicContact CD2-CB 4.19Å; L103-L237 HydrophobicContact CD2-CD2 4.14Å; L103-F238 HydrophobicContact CD1-CE1 4.31Å; L103-F238 HydrophobicContact CD1-CZ 4.13Å; L103-F238 HydrophobicContact CD2-CE1 4.17Å; L103-F238 HydrophobicContact CG-CE1 4.16Å; L103-F238 HydrophobicContact CG-CZ 4.48Å
104Q79.7Confident75.9Confident21 Ų2145.9 Ų45.910%0.09823%0.228CC..THydrogen-bonded Turntrans-9911.1178.8-68.2-171.7-30.100114.6F100 A102 V106 T107 F108F100-Q104 HydrophobicContact CD1-CG 4.37Å; F100-Q104 HydrophobicContact CE1-CG 4.32Å; F100-Q104 WeakPolarHBondContact O-CB 3.4Å; F100-Q104 PolarHBondContact O-N 2.87Å; F100-Q104 VanDerWaalsContact O-N 3.07Å; A102-Q104 VanDerWaalsContact C-N 3.34Å; A102-Q104 PolarHBondContact O-N 2.77Å; Q104-V106 PolarHBondContact O-N 3.27Å; Q104-T107 CarbonylContact O-C 3.58Å; Q104-T107 PolarHBondContact O-N 2.89Å; Q104-F108 HydrophobicContact CB-CD2 4.17Å
105Q67.5Low75Confident9 Ų950.5 Ų50.54%0.04225%0.249CC..THydrogen-bonded Turntrans-56.9-22.6-178.4-77.7-173.4-200115.8V101 A102 L113 I117V101-Q105 WeakPolarHBondContact O-CG 3.37Å; A102-Q105 VanDerWaalsContact O-CG 3.29Å; A102-Q105 WeakPolarHBondContact O-CG 3.41Å; Q105-L113 WeakPolarHBondContact O-CB 3.27Å; Q105-I117 VanDerWaalsContact NE2-CA 3.29Å; Q105-I117 PolarHBondContact NE2-O 3.44Å
106V56.9Low74.6Confident91 Ų9150.6 Ų50.655%0.55225%0.25SC*.THydrogen-bonded Turntrans-94.9-25.8-174.7-176.30000111.7Q104Q104-V106 PolarHBondContact O-N 3.27Å
107T55.9Low74.6Confident53 Ų5350 Ų5033%0.32525%0.248SC..  trans-155.5115.9-178-38.30000108.5Q104 N111 R214Q104-T107 CarbonylContact O-C 3.58Å; Q104-T107 PolarHBondContact O-N 2.89Å; T107-N111 WeakPolarHBondContact CA-O 3.29Å; T107-R214 PolarHBondContact OG1-NH1 3.06Å; T107-R214 PolarHBondContact OG1-NH2 3.2Å
108F52.9Low74.5Confident18 Ų1850.5 Ų50.58%0.07925%0.253CS..BIsolated β-bridgetrans-121.1119.2168.8-169.1-85.2000109.2N70 I73 Q104 Y110 N111 L113N70-F108 WeakPolarHBondContact ND2-CZ 3.49Å; N70-F108 WeakPolarHBondContact OD1-CE1 3.36Å; N70-F108 WeakPolarHBondContact OD1-CZ 3.46Å; I73-F108 HydrophobicContact CD1-CD2 4.27Å; Q104-F108 HydrophobicContact CB-CD2 4.17Å; F108-Y110 PolarHBondContact O-N 3.16Å; F108-N111 PolarHBondContact N-O 3.22Å; F108-N111 PolarHBondContact O-N 3.43Å; F108-L113 HydrophobicContact CB-CD1 3.36Å; F108-L113 HydrophobicContact CB-CD2 4.44Å; F108-L113 HydrophobicContact CB-CG 3.76Å; F108-L113 HydrophobicContact CG-CD1 4.16Å
109R59.9Low74.5Confident177 Ų17751.3 Ų51.367%0.66826%0.256SS*.THydrogen-bonded Turntrans37.950.4179.2-68.5-172.8165.3-178.6-9.3112.8
110Y50.1Low74.7Confident222 Ų22251.3 Ų51.387%0.87126%0.256SS*.THydrogen-bonded Turntrans82.72.3176.7-42.8-74.2000118.7F108F108-Y110 PolarHBondContact O-N 3.16Å
111N53.5Low75Confident116 Ų11651.2 Ų51.262%0.6226%0.255SS*.BIsolated β-bridgetrans-107.8140.8172.3-71.9-31.7000112T107 F108 L113T107-N111 WeakPolarHBondContact CA-O 3.29Å; F108-N111 PolarHBondContact N-O 3.22Å; F108-N111 PolarHBondContact O-N 3.43Å; N111-L113 PolarHBondContact O-N 3.01Å
112V54.4Low75.2Confident130 Ų13051.1 Ų51.179%0.78826%0.255SS*.  trans-67.8112.1164.9179.90000107
113L62.5Low75.4Confident31 Ų3151 Ų5116%0.16225%0.254CS..  trans-81.2145.2170.5-70.6-179.7000109I73 Q105 F108 N111I73-L113 HydrophobicContact CD1-CD1 4Å; Q105-L113 WeakPolarHBondContact O-CB 3.27Å; F108-L113 HydrophobicContact CB-CD1 3.36Å; F108-L113 HydrophobicContact CB-CD2 4.44Å; F108-L113 HydrophobicContact CB-CG 3.76Å; F108-L113 HydrophobicContact CG-CD1 4.16Å; N111-L113 PolarHBondContact O-N 3.01Å
114P65Low75.4Confident73 Ų7353 Ų5347%0.47427%0.265SS..  trans-56.2146.6163.6-18.530.3000109.5L116P114-L116 HydrophobicContact CB-CD2 4.22Å; P114-L116 VanDerWaalsContact O-CG 3.31Å; P114-L116 WeakPolarHBondContact O-CG 3.34Å; P114-L116 PolarHBondContact O-N 3.24Å
115E78.5Confident75.6Confident96 Ų9652.5 Ų52.545%0.44926%0.262SS..  trans-60.2105.1167.9-72.5-171.2-168.900109.3N84 K218N84-E115 WeakPolarHBondContact CA-O 3.3Å; N84-E115 HydrophobicContact CB-CB 4.15Å; N84-E115 WeakPolarHBondContact CB-O 3.46Å; N84-E115 PolarHBondContact N-O 3.23Å; N84-E115 PolarHBondContact ND2-OE2 2.91Å; N84-E115 WeakPolarHBondContact OD1-CB 3.31Å; N84-E115 PolarHBondContact OD1-OE2 3.48Å; E115-K218 WeakPolarHBondContact OE2-CE 3.38Å; E115-K218 IonicContact OE2-NZ 2.73Å; E115-K218 PolarHBondContact OE2-NZ 3.23Å
116L86.5Confident76.4Confident2 Ų253.4 Ų53.41%0.0127%0.269CS..  trans-85.1-48.5-173-58.4-179.3000112I73 I76 S82 L86 P114I73-L116 HydrophobicContact CG1-CD1 4.08Å; I73-L116 HydrophobicContact CG2-CD1 4.14Å; I76-L116 HydrophobicContact CD1-CD1 4.45Å; I76-L116 HydrophobicContact CG2-CB 4.46Å; I76-L116 HydrophobicContact CG2-CD1 4.33Å; I76-L116 HydrophobicContact CG2-CD2 4.27Å; S82-L116 VanDerWaalsContact CB-CD2 3.46Å; S82-L116 WeakPolarHBondContact OG-CD2 3.44Å; L86-L116 WeakPolarHBondContact CB-O 3.28Å; P114-L116 HydrophobicContact CB-CD2 4.22Å; P114-L116 VanDerWaalsContact O-CG 3.31Å; P114-L116 WeakPolarHBondContact O-CG 3.34Å; P114-L116 PolarHBondContact O-N 3.24Å
117I92.5Very high77.6Confident0 Ų049.2 Ų49.20%024%0.244CC..EExtended strand (participates in β ladder)trans-100.5123.2-168.3-45-48.7000109.3I76 L86 L88 V101 Q105 R119 F216 K218I76-I117 HydrophobicContact CD1-CD1 3.97Å; L86-I117 HydrophobicContact CB-CD1 4.22Å; L86-I117 HydrophobicContact CD2-CD1 3.59Å; L86-I117 HydrophobicContact CG-CD1 4Å; L86-I117 CarbonylContact O-C 3.47Å; L86-I117 WeakPolarHBondContact O-CA 3.43Å; L86-I117 WeakPolarHBondContact O-CG2 3.09Å; L88-I117 HydrophobicContact CB-CD1 3.93Å; L88-I117 HydrophobicContact CB-CG1 4.18Å; L88-I117 HydrophobicContact CB-CG2 3.7Å; L88-I117 HydrophobicContact CD2-CD1 3.94Å; L88-I117 HydrophobicContact CD2-CG1 4.05Å; L88-I117 HydrophobicContact CG-CD1 4.43Å; V101-I117 HydrophobicContact CG1-CD1 4.36Å; V101-I117 HydrophobicContact CG1-CG1 4.2Å; Q105-I117 VanDerWaalsContact NE2-CA 3.29Å; Q105-I117 PolarHBondContact NE2-O 3.44Å; I117-R119 WeakPolarHBondContact CG2-O 3.33Å; I117-F216 HydrophobicContact CB-CE2 4.28Å; I117-F216 HydrophobicContact CB-CZ 4.15Å; I117-F216 HydrophobicContact CG2-CZ 4.07Å; I117-K218 WeakPolarHBondContact O-CD 3.37Å; I117-K218 PolarHBondContact O-NZ 2.95Å; I117-K218 VanDerWaalsContact O-NZ 3.14Å
118G93.6Very high78.8Confident11 Ų1151.4 Ų51.411%0.11325%0.246CC..EExtended strand (participates in β ladder)trans-87.3-29.2171.600000113N84 L86N84-G118 WeakPolarHBondContact O-CA 3.39Å; N84-G118 PolarHBondContact O-N 3.01Å; L86-G118 PolarHBondContact O-N 2.88Å
119R95.4Very high80Confident17 Ų1755 Ų556%0.06426%0.263CS..EExtended strand (participates in β ladder)trans-145.4142.6-179.1-60.3-172.8178.6126.213.1112.9R16 L86 S87 L88 I117 P219 F268 L269 K271R16-R119 VanDerWaalsContact CZ-NH2 3.26Å; R16-R119 VanDerWaalsContact NH1-NH1 3.11Å; L86-R119 PolarHBondContact O-N 3.24Å; S87-R119 CarbonylContact C-O 3.58Å; S87-R119 WeakPolarHBondContact CA-O 3.46Å; L88-R119 PolarHBondContact N-O 2.99Å; I117-R119 WeakPolarHBondContact CG2-O 3.33Å; R119-P219 WeakPolarHBondContact CA-O 3.29Å; R119-P219 HydrophobicContact CG-CB 4.29Å; R119-F268 HydrophobicContact CB-CE1 4.02Å; R119-F268 HydrophobicContact CB-CZ 4.03Å; R119-L269 PolarHBondContact NH1-O 3.18Å; R119-K271 VanDerWaalsContact CZ-C 3.41Å; R119-K271 PolarHBondContact NH1-OXT 2.76Å; R119-K271 PolarHBondContact NH2-O 3.28Å; R119-K271 PolarHBondContact NH2-OXT 2.6Å
120L96.8Very high80.7Confident0 Ų049 Ų490%024%0.244CC..EExtended strand (participates in β ladder)trans-121.1121179.1-173.465.1000110.3L88 A98 A102 L122 F216 P219 T220 C221 F238 F268L88-L120 HydrophobicContact CB-CD1 4.19Å; L88-L120 WeakPolarHBondContact O-CA 3.24Å; A98-L120 HydrophobicContact CB-CD1 3.86Å; A102-L120 HydrophobicContact CB-CD1 4.28Å; A102-L120 HydrophobicContact CB-CD2 3.82Å; L120-L122 HydrophobicContact CD1-CD2 3.69Å; L120-L122 HydrophobicContact CD1-CG 4.41Å; L120-L122 HydrophobicContact CD2-CD1 3.92Å; L120-L122 HydrophobicContact CD2-CD2 3.96Å; L120-L122 HydrophobicContact CD2-CG 4.06Å; L120-L122 HydrophobicContact CG-CD1 4.27Å; L120-L122 HydrophobicContact CG-CD2 3.67Å; L120-L122 HydrophobicContact CG-CG 3.85Å; L120-F216 HydrophobicContact CB-CD1 4.29Å; L120-F216 HydrophobicContact CB-CE1 3.64Å; L120-F216 HydrophobicContact CB-CZ 4.36Å; L120-F216 HydrophobicContact CD2-CD1 4.25Å; L120-F216 HydrophobicContact CD2-CE1 4.36Å; L120-P219 PolarHBondContact N-O 2.87Å; L120-P219 VanDerWaalsContact N-O 3.07Å; L120-T220 HydrophobicContact CB-CG2 4.12Å; L120-T220 HydrophobicContact CD2-CG2 4.09Å; L120-T220 HydrophobicContact CG-CG2 4.3Å; L120-T220 CarbonylContact O-C 3.59Å; L120-T220 VanDerWaalsContact O-CA 3.26Å; L120-T220 WeakPolarHBondContact O-CA 3.44Å; L120-C221 PolarHBondContact O-N 3.35Å; L120-F238 HydrophobicContact CD2-CD1 4.11Å; L120-F238 HydrophobicContact CD2-CE1 3.53Å; L120-F238 HydrophobicContact CD2-CZ 4.05Å; L120-F268 WeakPolarHBondContact O-CE1 3.4Å; L120-F268 WeakPolarHBondContact O-CZ 3.39Å
121L97.9Very high81.7Confident1 Ų148.8 Ų48.81%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-113.5111.8171.8179.360.9000109.3L88 I89 G90 V123 C221 I223 A265 F268L88-L121 PolarHBondContact O-N 3.34Å; I89-L121 CarbonylContact C-O 3.56Å; I89-L121 VanDerWaalsContact CA-O 3.28Å; I89-L121 WeakPolarHBondContact CA-O 3.4Å; I89-L121 HydrophobicContact CB-CB 4.41Å; I89-L121 HydrophobicContact CD1-CD2 4.24Å; I89-L121 HydrophobicContact CG1-CB 4.13Å; I89-L121 HydrophobicContact CG1-CD2 4.35Å; I89-L121 HydrophobicContact CG2-CB 4.16Å; I89-L121 HydrophobicContact CG2-CD2 3.93Å; I89-L121 HydrophobicContact CG2-CG 4.09Å; G90-L121 PolarHBondContact N-O 3.34Å; L121-V123 HydrophobicContact CG-CG2 4.38Å; L121-C221 CarbonylContact C-O 3.6Å; L121-C221 WeakPolarHBondContact CA-O 3.22Å; L121-C221 HydrophobicContact CD1-CB 3.78Å; L121-I223 HydrophobicContact CD1-CD1 3.86Å; L121-I223 HydrophobicContact CD1-CG1 3.94Å; L121-A265 HydrophobicContact CD2-CB 3.73Å; L121-F268 HydrophobicContact CB-CD1 4.1Å; L121-F268 HydrophobicContact CB-CE1 3.94Å; L121-F268 HydrophobicContact CD1-CD1 4.22Å
122L96.8Very high82.9Confident0 Ų053 Ų530%025%0.249CC..EExtended strand (participates in β ladder)trans-105131.1-179.8-50.7172.7000109.4G95 A98 S99 L120 F125 T220 C221 I222 I223 F238G95-L122 WeakPolarHBondContact O-CD2 3.5Å; A98-L122 HydrophobicContact CB-CD2 4.17Å; S99-L122 VanDerWaalsContact OG-CD1 3.25Å; S99-L122 WeakPolarHBondContact OG-CD1 3.39Å; S99-L122 WeakPolarHBondContact OG-CD2 3.42Å; L120-L122 HydrophobicContact CD1-CD2 3.69Å; L120-L122 HydrophobicContact CD1-CG 4.41Å; L120-L122 HydrophobicContact CD2-CD1 3.92Å; L120-L122 HydrophobicContact CD2-CD2 3.96Å; L120-L122 HydrophobicContact CD2-CG 4.06Å; L120-L122 HydrophobicContact CG-CD1 4.27Å; L120-L122 HydrophobicContact CG-CD2 3.67Å; L120-L122 HydrophobicContact CG-CG 3.85Å; L122-F125 HydrophobicContact CB-CB 4.19Å; L122-F125 HydrophobicContact CB-CD1 4.03Å; L122-F125 HydrophobicContact CB-CG 4.42Å; L122-F125 HydrophobicContact CD1-CD1 3.55Å; L122-F125 HydrophobicContact CD1-CE1 3.72Å; L122-F125 HydrophobicContact CG-CD1 4.24Å; L122-T220 HydrophobicContact CD1-CG2 4.49Å; L122-C221 PolarHBondContact N-O 3.12Å; L122-I222 HydrophobicContact CB-CG1 4.02Å; L122-I222 HydrophobicContact CB-CG2 4.2Å; L122-I222 HydrophobicContact CD1-CD1 3.93Å; L122-I222 HydrophobicContact CD1-CG1 3.99Å; L122-I222 HydrophobicContact CG-CG1 4.34Å; L122-I222 CarbonylContact O-C 3.6Å; L122-I222 WeakPolarHBondContact O-CA 3.46Å; L122-I223 PolarHBondContact O-N 2.81Å; L122-F238 HydrophobicContact CD1-CE2 4.04Å; L122-F238 HydrophobicContact CD1-CZ 4.05Å
123V96.3Very high84.3Confident0 Ų048 Ų480%022%0.219CC..EExtended strand (participates in β ladder)trans-119.4118.9-174.2-170.60000108.6I89 G90 H91 S92 L121 F125 V253 F261I89-V123 HydrophobicContact CG2-CG2 4.32Å; G90-V123 PolarHBondContact O-N 2.67Å; H91-V123 CarbonylContact C-O 3.39Å; H91-V123 VanDerWaalsContact CA-O 3.31Å; H91-V123 WeakPolarHBondContact CA-O 3.19Å; H91-V123 HydrophobicContact CB-CB 4.13Å; H91-V123 PolarHBondContact CD2-O 3.22Å; S92-V123 PolarHBondContact N-O 3.07Å; L121-V123 HydrophobicContact CG-CG2 4.38Å; V123-F125 PolarHBondContact O-N 3.27Å; V123-V253 HydrophobicContact CG1-CB 4.12Å; V123-V253 HydrophobicContact CG1-CG2 4.38Å; V123-F261 HydrophobicContact CB-CE2 4.33Å; V123-F261 HydrophobicContact CG1-CD2 4.37Å; V123-F261 HydrophobicContact CG1-CE2 3.74Å; V123-F261 HydrophobicContact CG2-CE2 3.58Å; V123-F261 HydrophobicContact CG2-CZ 3.97Å
124D90.5Very high85.4Confident46 Ų4650.8 Ų50.825%0.24623%0.234CC..SBendtrans45.758.6-176.5-155.742.4000113.1I223 H251 V253D124-I223 PolarHBondContact N-O 3.41Å; D124-H251 WeakPolarHBondContact OD2-CA 3.34Å; D124-H251 IonicContact OD2-CE1 3.62Å; D124-H251 PolarHBondContact OD2-CE1 3.49Å; D124-H251 IonicContact OD2-CG 3.26Å; D124-H251 IonicContact OD2-ND1 3.53Å; D124-H251 PolarHBondContact OD2-ND1 2.92Å; D124-V253 HydrophobicContact CB-CG2 4.43Å
125F85.2Confident86.7Confident10 Ų1056.6 Ų56.64%0.04425%0.246CC..  trans-133.2143.7-176.8163.4-92.5000110.6R96 S99 L122 V123 P127 F208 F226R96-F125 HydrophobicContact CB-CD2 4.1Å; R96-F125 HydrophobicContact CB-CE2 3.75Å; R96-F125 HydrophobicContact CG-CE2 4.13Å; S99-F125 VanDerWaalsContact OG-CE1 3.25Å; S99-F125 WeakPolarHBondContact OG-CE1 3.45Å; S99-F125 WeakPolarHBondContact OG-CZ 3.31Å; L122-F125 HydrophobicContact CB-CB 4.19Å; L122-F125 HydrophobicContact CB-CD1 4.03Å; L122-F125 HydrophobicContact CB-CG 4.42Å; L122-F125 HydrophobicContact CD1-CD1 3.55Å; L122-F125 HydrophobicContact CD1-CE1 3.72Å; L122-F125 HydrophobicContact CG-CD1 4.24Å; V123-F125 PolarHBondContact O-N 3.27Å; F125-P127 HydrophobicContact CE1-CB 4.15Å; F125-P127 HydrophobicContact CE1-CG 4.49Å; F125-P127 HydrophobicContact CZ-CB 3.99Å; F125-F208 HydrophobicContact CE2-CE2 4.43Å; F125-F208 HydrophobicContact CZ-CE2 4.06Å; F125-F208 HydrophobicContact CZ-CZ 4.04Å; F125-F226 WeakPolarHBondContact O-CE1 3.47Å
126S82.6Confident87.3Confident27 Ų2755.5 Ų55.519%0.18924%0.243CC..  trans-132.4137.9165.7175.90000109.8R128 D230S126-R128 PolarHBondContact O-N 2.62Å; S126-R128 VanDerWaalsContact O-N 3.16Å; S126-R128 WeakPolarHBondContact OG-CB 3.41Å; S126-R128 PolarHBondContact OG-N 3.45Å; S126-D230 WeakPolarHBondContact CB-OD2 3.41Å; S126-D230 VanDerWaalsContact OG-CG 3.27Å; S126-D230 PolarHBondContact OG-OD2 2.89Å
127P82.6Confident87.6Confident3 Ų356.7 Ų56.72%0.01925%0.249CC..  trans-722.3174.432.1-35.9000112.8F125 F208 L233 C234 L237F125-P127 HydrophobicContact CE1-CB 4.15Å; F125-P127 HydrophobicContact CE1-CG 4.49Å; F125-P127 HydrophobicContact CZ-CB 3.99Å; P127-F208 HydrophobicContact CB-CD1 3.57Å; P127-F208 HydrophobicContact CB-CE1 3.35Å; P127-F208 HydrophobicContact CB-CZ 4.19Å; P127-F208 WeakPolarHBondContact O-CB 3.3Å; P127-F208 WeakPolarHBondContact O-CD1 3.24Å; P127-L233 HydrophobicContact CB-CD2 4.18Å; P127-L233 HydrophobicContact CB-CG 4.37Å; P127-L233 HydrophobicContact CG-CD2 3.91Å; P127-L233 HydrophobicContact CG-CG 3.86Å; P127-C234 WeakPolarHBondContact CD-SG 3.47Å; P127-C234 VanDerWaalsContact CG-SG 3.54Å; P127-L237 HydrophobicContact CB-CD1 3.63Å; P127-L237 HydrophobicContact CG-CD1 4.02Å
128R81.8Confident87.6Confident99 Ų9959.4 Ų59.437%0.37427%0.265SS..SBendtrans-62.8137.2175.7-179.6171.5175.6159.83.3111R96 S126 M130 E229 D230R96-R128 PolarHBondContact NH2-O 3.3Å; S126-R128 PolarHBondContact O-N 2.62Å; S126-R128 VanDerWaalsContact O-N 3.16Å; S126-R128 WeakPolarHBondContact OG-CB 3.41Å; S126-R128 PolarHBondContact OG-N 3.45Å; R128-M130 PolarHBondContact O-N 3.2Å; R128-E229 IonicContact NH1-OE2 3.15Å; R128-D230 VanDerWaalsContact CD-OD1 3.29Å; R128-D230 WeakPolarHBondContact CD-OD1 3.19Å; R128-D230 IonicContact NH1-OD1 3.52Å
129E77.2Confident87.8Confident93 Ų9360.4 Ų60.444%0.43527%0.268SS..  trans-67121.8169.1-166.2-167.2159.100109.6R207E129-R207 HydrophobicContact CG-CG 4.4Å
130M74.5Confident87.8Confident52 Ų5259.7 Ų59.726%0.25627%0.266SS..  trans-97.9107.4172.6-70.7179.670.700108.6R128 R132 D134 L206R128-M130 PolarHBondContact O-N 3.2Å; M130-R132 PolarHBondContact O-N 3.18Å; M130-D134 WeakPolarHBondContact CE-OD2 3.48Å; M130-L206 HydrophobicContact CB-CB 4.23Å; M130-L206 PolarHBondContact N-O 2.84Å; M130-L206 HydrophobicContact SD-CD2 4.48Å
131R72.8Confident87.8Confident217 Ų21760 Ų6082%0.81927%0.267SS*.SBendtrans-64.4-24.1-179.5-74.8-175.8156.9-179-6.9113.9
132R78.5Confident87.7Confident206 Ų20664.1 Ų64.178%0.77729%0.287SS*.SBendtrans-141.2145.7178.1-66.6-174.1179.5163.6-0.2109.4M130M130-R132 PolarHBondContact O-N 3.18Å
133P82.1Confident87.7Confident24 Ų2464.1 Ų64.116%0.15629%0.287CS..  trans-58.8144.9167.725.5-33.2000111.1I137 T138 I202 L206P133-I137 HydrophobicContact CB-CB 4.24Å; P133-I137 HydrophobicContact CB-CG2 4.22Å; P133-T138 HydrophobicContact CB-CG2 4.04Å; P133-T138 HydrophobicContact CG-CG2 3.54Å; P133-I202 HydrophobicContact CB-CG1 4.08Å; P133-I202 HydrophobicContact CG-CG2 4.41Å; P133-L206 HydrophobicContact CB-CD1 3.58Å
134D87.2Confident87.8Confident90 Ų9064.2 Ų64.248%0.48129%0.288SS..  trans-59.8146.5168.1-72.5-35.6000109.6M130 I136 I137 T138M130-D134 WeakPolarHBondContact CE-OD2 3.48Å; D134-I136 HydrophobicContact CB-CG2 4.02Å; D134-I136 PolarHBondContact O-N 3.35Å; D134-I136 VanDerWaalsContact O-N 3.08Å; D134-I137 WeakPolarHBondContact O-CB 3.45Å; D134-I137 PolarHBondContact O-N 2.97Å; D134-T138 PolarHBondContact O-N 3.33Å
135R90.7Very high88.1Confident195 Ų19566.9 Ų66.974%0.73630%0.297SS*.Hα-helixtrans-53.5-34.8-178.8-178.5177175.2176.82.7112.6I137 T138 D139R135-I137 PolarHBondContact O-N 3.39Å; R135-T138 WeakPolarHBondContact CA-OG1 3.48Å; R135-T138 PolarHBondContact O-N 3.49Å; R135-T138 PolarHBondContact O-OG1 3.09Å; R135-D139 WeakPolarHBondContact CG-OD2 2.83Å; R135-D139 IonicContact NE-OD1 2.62Å; R135-D139 IonicContact NE-OD2 3.27Å; R135-D139 PolarHBondContact NE-OD2 3.12Å; R135-D139 WeakPolarHBondContact O-CB 3.44Å; R135-D139 PolarHBondContact O-N 3.39Å
136I91.4Very high88.6Confident72 Ų7271.8 Ų71.837%0.36932%0.318SS..Hα-helixtrans-61.7-32.9178.2-169.459.6000112.9D134 A140 L168 V173D134-I136 HydrophobicContact CB-CG2 4.02Å; D134-I136 PolarHBondContact O-N 3.35Å; D134-I136 VanDerWaalsContact O-N 3.08Å; I136-A140 WeakPolarHBondContact O-CB 3.43Å; I136-A140 PolarHBondContact O-N 2.78Å; I136-L168 HydrophobicContact CD1-CD2 3.98Å; I136-V173 HydrophobicContact CD1-CG1 4.41Å; I136-V173 HydrophobicContact CD1-CG2 3.93Å; I136-V173 HydrophobicContact CG1-CG2 4.22Å
137I92.8Very high89.3Confident28 Ų2871.1 Ų71.114%0.14431%0.313CS..Hα-helixtrans-73.1-44.2177.9-63.2175.5000110.2L24 P133 D134 R135 A140 L141 I202 L206L24-I137 HydrophobicContact CD2-CG2 3.74Å; P133-I137 HydrophobicContact CB-CB 4.24Å; P133-I137 HydrophobicContact CB-CG2 4.22Å; D134-I137 WeakPolarHBondContact O-CB 3.45Å; D134-I137 PolarHBondContact O-N 2.97Å; R135-I137 PolarHBondContact O-N 3.39Å; I137-A140 PolarHBondContact O-N 3.1Å; I137-L141 PolarHBondContact O-N 3Å; I137-I202 HydrophobicContact CG2-CD1 3.63Å; I137-I202 HydrophobicContact CG2-CG1 3.74Å; I137-L206 HydrophobicContact CD1-CD1 4.4Å
138T94.1Very high89.8Confident56 Ų5678 Ų7834%0.34435%0.345SS..Hα-helixtrans-66.1-42.1178.253.90000111.5P133 D134 R135 A140 L141 E142P133-T138 HydrophobicContact CB-CG2 4.04Å; P133-T138 HydrophobicContact CG-CG2 3.54Å; D134-T138 PolarHBondContact O-N 3.33Å; R135-T138 WeakPolarHBondContact CA-OG1 3.48Å; R135-T138 PolarHBondContact O-N 3.49Å; R135-T138 PolarHBondContact O-OG1 3.09Å; T138-A140 VanDerWaalsContact C-N 3.31Å; T138-A140 PolarHBondContact O-N 2.97Å; T138-L141 PolarHBondContact O-N 3.36Å; T138-E142 PolarHBondContact O-N 2.92Å
139D95.8Very high90.5Very high32 Ų3275 Ų7517%0.17134%0.337CS..Hα-helixtrans-65.8-36.7177.6-65.60.1000110.3R135 E142 A143 T167 L168R135-D139 WeakPolarHBondContact CG-OD2 2.83Å; R135-D139 IonicContact NE-OD1 2.62Å; R135-D139 IonicContact NE-OD2 3.27Å; R135-D139 PolarHBondContact NE-OD2 3.12Å; R135-D139 WeakPolarHBondContact O-CB 3.44Å; R135-D139 PolarHBondContact O-N 3.39Å; D139-E142 PolarHBondContact O-N 2.83Å; D139-A143 WeakPolarHBondContact O-CB 3.41Å; D139-A143 PolarHBondContact O-N 3.36Å; D139-T167 HydrophobicContact CB-CG2 4.48Å; D139-L168 HydrophobicContact CB-CD2 3.99Å
140A96.7Very high91.2Very high3 Ų381.5 Ų81.53%0.02536%0.357CS..Hα-helixtrans-64.5-45173.200000112.4F25 I136 I137 T138 E142 A143 V144 L168 L177F25-A140 HydrophobicContact CE2-CB 3.98Å; F25-A140 HydrophobicContact CZ-CB 4.39Å; I136-A140 WeakPolarHBondContact O-CB 3.43Å; I136-A140 PolarHBondContact O-N 2.78Å; I137-A140 PolarHBondContact O-N 3.1Å; T138-A140 VanDerWaalsContact C-N 3.31Å; T138-A140 PolarHBondContact O-N 2.97Å; A140-E142 PolarHBondContact O-N 2.88Å; A140-A143 PolarHBondContact O-N 3.02Å; A140-V144 WeakPolarHBondContact O-CG1 3.28Å; A140-V144 WeakPolarHBondContact O-CG2 3.37Å; A140-V144 PolarHBondContact O-N 3.1Å; A140-L168 HydrophobicContact CB-CD2 4.14Å; A140-L177 HydrophobicContact CB-CD1 4.15Å
141L96.4Very high91.9Very high5 Ų581.3 Ų81.33%0.02637%0.368CS..Hα-helixtrans-59.5-46.1175-80.9169.1000112F25 I137 T138 A143 V144 K145 I198 I202F25-L141 HydrophobicContact CE1-CD2 3.79Å; F25-L141 HydrophobicContact CE1-CG 4.29Å; F25-L141 HydrophobicContact CZ-CD2 3.9Å; F25-L141 HydrophobicContact CZ-CG 3.87Å; I137-L141 PolarHBondContact O-N 3Å; T138-L141 PolarHBondContact O-N 3.36Å; L141-A143 VanDerWaalsContact C-N 3.32Å; L141-A143 PolarHBondContact O-N 3.19Å; L141-V144 VanDerWaalsContact O-CG2 3.3Å; L141-V144 WeakPolarHBondContact O-CG2 3.35Å; L141-K145 WeakPolarHBondContact O-CB 3.46Å; L141-K145 WeakPolarHBondContact O-CD 3.25Å; L141-K145 VanDerWaalsContact O-CG 3.24Å; L141-K145 WeakPolarHBondContact O-CG 3.34Å; L141-K145 PolarHBondContact O-N 3.2Å; L141-I198 HydrophobicContact CD1-CG2 4.28Å; L141-I198 HydrophobicContact CD2-CB 4.2Å; L141-I198 HydrophobicContact CD2-CG2 3.7Å; L141-I198 HydrophobicContact CG-CG2 4.44Å; L141-I202 HydrophobicContact CD1-CB 4.28Å; L141-I202 HydrophobicContact CD1-CG1 4.32Å; L141-I202 HydrophobicContact CD1-CG2 4.29Å
142E96.2Very high92.9Very high89 Ų8975.2 Ų75.242%0.41635%0.352SS..Hα-helixtrans-62.2-42.4177.1-173.7177.9178.200111.3T138 D139 A140 K145 K146T138-E142 PolarHBondContact O-N 2.92Å; D139-E142 PolarHBondContact O-N 2.83Å; A140-E142 PolarHBondContact O-N 2.88Å; E142-K145 PolarHBondContact O-N 3.21Å; E142-K146 HydrophobicContact CG-CD 4.31Å; E142-K146 WeakPolarHBondContact O-CG 3.37Å; E142-K146 PolarHBondContact O-N 2.71Å; E142-K146 VanDerWaalsContact OE1-CE 3.27Å; E142-K146 WeakPolarHBondContact OE1-CE 3.31Å; E142-K146 IonicContact OE1-NZ 2.61Å; E142-K146 PolarHBondContact OE1-NZ 3.24Å
143A97.4Very high93.7Very high0 Ų069.6 Ų69.60%033%0.331CS..Hα-helixtrans-65.3-45.7-179.400000112.7D139 A140 L141 K145 K146 C147 L164 T167 L168D139-A143 WeakPolarHBondContact O-CB 3.41Å; D139-A143 PolarHBondContact O-N 3.36Å; A140-A143 PolarHBondContact O-N 3.02Å; L141-A143 VanDerWaalsContact C-N 3.32Å; L141-A143 PolarHBondContact O-N 3.19Å; A143-K145 VanDerWaalsContact C-N 3.32Å; A143-K145 PolarHBondContact O-N 3.38Å; A143-K146 PolarHBondContact O-N 3.35Å; A143-C147 PolarHBondContact O-N 3.15Å; A143-C147 PolarHBondContact O-SG 2.83Å; A143-L164 HydrophobicContact CB-CD2 3.67Å; A143-T167 HydrophobicContact CB-CG2 3.99Å; A143-L168 HydrophobicContact CB-CD1 4.41Å; A143-L168 HydrophobicContact CB-CG 4.22Å
144V97.8Very high94.3Very high2 Ų272.6 Ų72.61%0.01235%0.353CS..Hα-helixtrans-68.3-31.8-179.6-61.60000112.4A140 L141 K146 C147 L164 L177 W191 F193 I195A140-V144 WeakPolarHBondContact O-CG1 3.28Å; A140-V144 WeakPolarHBondContact O-CG2 3.37Å; A140-V144 PolarHBondContact O-N 3.1Å; L141-V144 VanDerWaalsContact O-CG2 3.3Å; L141-V144 WeakPolarHBondContact O-CG2 3.35Å; V144-K146 VanDerWaalsContact C-N 3.32Å; V144-C147 PolarHBondContact O-N 3.44Å; V144-L164 HydrophobicContact CG1-CD2 3.94Å; V144-L177 HydrophobicContact CG1-CD1 3.98Å; V144-L177 HydrophobicContact CG1-CD2 4.14Å; V144-L177 HydrophobicContact CG1-CG 4.49Å; V144-W191 HydrophobicContact CB-CZ2 4.16Å; V144-W191 HydrophobicContact CG1-CH2 4.47Å; V144-W191 HydrophobicContact CG1-CZ2 4.1Å; V144-W191 PolarHBondContact O-NE1 3.02Å; V144-F193 HydrophobicContact CB-CE2 4.38Å; V144-F193 HydrophobicContact CB-CZ 4.38Å; V144-F193 HydrophobicContact CG1-CE2 4.4Å; V144-F193 HydrophobicContact CG1-CZ 3.98Å; V144-F193 HydrophobicContact CG2-CE2 4.14Å; V144-I195 HydrophobicContact CB-CD1 4.36Å; V144-I195 HydrophobicContact CG2-CD1 4.03Å; V144-I195 HydrophobicContact CG2-CG1 4.04Å
145K96.7Very high94.6Very high102 Ų10272.1 Ų72.144%0.44335%0.347SS..Hα-helixtrans-65.4-33.2173.7-78.4171.8170-178.50113L141 E142 A143 I195 D199L141-K145 WeakPolarHBondContact O-CB 3.46Å; L141-K145 WeakPolarHBondContact O-CD 3.25Å; L141-K145 VanDerWaalsContact O-CG 3.24Å; L141-K145 WeakPolarHBondContact O-CG 3.34Å; L141-K145 PolarHBondContact O-N 3.2Å; E142-K145 PolarHBondContact O-N 3.21Å; A143-K145 VanDerWaalsContact C-N 3.32Å; A143-K145 PolarHBondContact O-N 3.38Å; K145-I195 HydrophobicContact CD-CG2 4.29Å; K145-I195 HydrophobicContact CG-CG2 3.54Å; K145-D199 IonicContact NZ-OD1 2.6Å; K145-D199 PolarHBondContact NZ-OD1 3.01Å; K145-D199 IonicContact NZ-OD2 2.84Å; K145-D199 PolarHBondContact NZ-OD2 3.42Å
146K96Very high94.9Very high113 Ų11362.9 Ų62.949%0.49131%0.313SS..Hα-helixtrans-81-14.9-179.1-72.7173.9-177172.80113.8E142 A143 V144 E148E142-K146 HydrophobicContact CG-CD 4.31Å; E142-K146 WeakPolarHBondContact O-CG 3.37Å; E142-K146 PolarHBondContact O-N 2.71Å; E142-K146 VanDerWaalsContact OE1-CE 3.27Å; E142-K146 WeakPolarHBondContact OE1-CE 3.31Å; E142-K146 IonicContact OE1-NZ 2.61Å; E142-K146 PolarHBondContact OE1-NZ 3.24Å; A143-K146 PolarHBondContact O-N 3.35Å; V144-K146 VanDerWaalsContact C-N 3.32Å; K146-E148 PolarHBondContact O-N 3Å
147C97Very high95.2Very high13 Ų1364 Ų649%0.08831%0.312CS..  trans-67.8126.4-177.6-69.90000111.3A143 V144 L149 A160 W191A143-C147 PolarHBondContact O-N 3.15Å; A143-C147 PolarHBondContact O-SG 2.83Å; V144-C147 PolarHBondContact O-N 3.44Å; C147-L149 HydrophobicContact CB-CD2 4.09Å; C147-L149 PolarHBondContact O-N 3.08Å; C147-A160 HydrophobicContact CB-CB 4.33Å; C147-W191 HydrophobicContact CB-CZ2 4.03Å
148E94Very high95.4Very high148 Ų14868.1 Ų68.169%0.69233%0.326SS*.  trans-79116.8170.6-67.7-171.417500110.5K146K146-E148 PolarHBondContact O-N 3Å
149L94.8Very high95.6Very high36 Ų3667.6 Ų67.619%0.18832%0.321CS..  trans-104.922.5-175.2-56.2-177.1000113.9C147 V156 L181 P189 W191C147-L149 HydrophobicContact CB-CD2 4.09Å; C147-L149 PolarHBondContact O-N 3.08Å; L149-V156 HydrophobicContact CB-CG1 4.34Å; L149-V156 HydrophobicContact CD2-CG1 3.58Å; L149-L181 HydrophobicContact CD2-CD1 3.83Å; L149-P189 WeakPolarHBondContact CB-O 3.33Å; L149-W191 HydrophobicContact CD1-CG 4.3Å; L149-W191 HydrophobicContact CD2-CZ2 4.48Å
150R91.7Very high95.7Very high229 Ų22966 Ų6686%0.86431%0.313SS*.  trans-97.4133.4176.9-66.5-178.1178.4170.20.1109.9V156R150-V156 WeakPolarHBondContact O-CG2 3.32Å
151G90.6Very high95.8Very high47 Ų4768.8 Ų68.849%0.48532%0.324SS..SBendtrans123.8-167.6176.700000112.8P189G151-P189 WeakPolarHBondContact O-CD 3.28Å
152D92.8Very high95.8Very high89 Ų8973.8 Ų73.848%0.47635%0.346SS..  trans-70.8153.8174.276.782.4000111.4S154 E155 V156D152-S154 VanDerWaalsContact C-N 3.29Å; D152-S154 PolarHBondContact O-N 3.49Å; D152-S154 WeakPolarHBondContact OD1-CA 3.45Å; D152-S154 WeakPolarHBondContact OD1-CB 3.46Å; D152-S154 PolarHBondContact OD1-N 2.8Å; D152-E155 PolarHBondContact O-N 2.61Å; D152-E155 PolarHBondContact OD1-N 3.03Å; D152-E155 VanDerWaalsContact OD2-CB 3.29Å; D152-E155 WeakPolarHBondContact OD2-CB 3.22Å; D152-V156 WeakPolarHBondContact O-CB 3.3Å; D152-V156 WeakPolarHBondContact O-CG2 3.46Å; D152-V156 PolarHBondContact O-N 3.21Å
153Y94.8Very high95.8Very high88 Ų8871.1 Ų71.135%0.34533%0.334SS..Hα-helixtrans-59.9-37.1-175.1-179.8-98.6000113.3R157 L181 A183 P189Y153-R157 WeakPolarHBondContact O-CB 3.5Å; Y153-R157 PolarHBondContact O-N 2.88Å; Y153-L181 HydrophobicContact CE2-CD2 4.31Å; Y153-L181 HydrophobicContact CE2-CG 4.06Å; Y153-L181 PolarHBondContact OH-O 2.93Å; Y153-L181 VanDerWaalsContact OH-O 3.05Å; Y153-A183 HydrophobicContact CD2-CB 3.72Å; Y153-A183 HydrophobicContact CE2-CB 4.48Å; Y153-A183 HydrophobicContact CG-CB 4.34Å; Y153-P189 HydrophobicContact CD2-CB 4.39Å; Y153-P189 HydrophobicContact CD2-CG 4.33Å
154S95Very high95.8Very high87 Ų8771.1 Ų71.161%0.60833%0.334SS*.Hα-helixtrans-71.3-42.1-175.6-590000110.9D152 R158D152-S154 VanDerWaalsContact C-N 3.29Å; D152-S154 PolarHBondContact O-N 3.49Å; D152-S154 WeakPolarHBondContact OD1-CA 3.45Å; D152-S154 WeakPolarHBondContact OD1-CB 3.46Å; D152-S154 PolarHBondContact OD1-N 2.8Å; S154-R158 WeakPolarHBondContact O-CB 3.4Å; S154-R158 PolarHBondContact O-N 3.27Å; S154-R158 VanDerWaalsContact O-N 3.11Å
155E94.9Very high95.8Very high80 Ų8073.5 Ų73.537%0.37435%0.346SS..Hα-helixtrans-63-52.1172170.2147.8-12600111.9D152 R157 R158 N159D152-E155 PolarHBondContact O-N 2.61Å; D152-E155 PolarHBondContact OD1-N 3.03Å; D152-E155 VanDerWaalsContact OD2-CB 3.29Å; D152-E155 WeakPolarHBondContact OD2-CB 3.22Å; E155-R157 VanDerWaalsContact C-N 3.3Å; E155-R157 PolarHBondContact O-N 2.68Å; E155-R158 PolarHBondContact O-N 2.63Å; E155-R158 VanDerWaalsContact O-N 3.12Å; E155-R158 IonicContact OE1-NH2 3.65Å; E155-R158 PolarHBondContact OE1-NH2 3.5Å; E155-R158 VanDerWaalsContact OE1-NH2 3.15Å; E155-N159 WeakPolarHBondContact CG-ND2 3.39Å; E155-N159 PolarHBondContact O-N 3.28Å
156V97.3Very high95.8Very high1 Ų176.1 Ų76.11%0.00636%0.358CS..Hα-helixtrans-58.3-45.1-179.5169.70000110.6L149 R150 D152 R158 N159 A160 L181 P189L149-V156 HydrophobicContact CB-CG1 4.34Å; L149-V156 HydrophobicContact CD2-CG1 3.58Å; R150-V156 WeakPolarHBondContact O-CG2 3.32Å; D152-V156 WeakPolarHBondContact O-CB 3.3Å; D152-V156 WeakPolarHBondContact O-CG2 3.46Å; D152-V156 PolarHBondContact O-N 3.21Å; V156-R158 VanDerWaalsContact C-N 3.34Å; V156-R158 PolarHBondContact O-N 3.03Å; V156-N159 PolarHBondContact O-N 2.98Å; V156-A160 WeakPolarHBondContact O-CB 3.29Å; V156-A160 PolarHBondContact O-N 3.33Å; V156-L181 HydrophobicContact CG1-CD1 4.36Å; V156-L181 HydrophobicContact CG1-CD2 4.27Å; V156-P189 HydrophobicContact CB-CB 4.28Å; V156-P189 HydrophobicContact CB-CG 4.05Å; V156-P189 HydrophobicContact CG1-CB 3.87Å; V156-P189 HydrophobicContact CG1-CG 4.19Å; V156-P189 HydrophobicContact CG2-CG 4.01Å
157R97.6Very high95.7Very high95 Ų9572.6 Ų72.636%0.35835%0.346SS..Hα-helixtrans-60.8-43.1177.7-172-172.2-172.2-55.7-4112Y153 E155 F161 L178 L181Y153-R157 WeakPolarHBondContact O-CB 3.5Å; Y153-R157 PolarHBondContact O-N 2.88Å; E155-R157 VanDerWaalsContact C-N 3.3Å; E155-R157 PolarHBondContact O-N 2.68Å; R157-F161 PolarHBondContact O-N 2.95Å; R157-L178 HydrophobicContact CG-CD2 4.29Å; R157-L181 HydrophobicContact CB-CD2 3.81Å; R157-L181 HydrophobicContact CG-CD2 4.03Å
158R97.1Very high95.7Very high115 Ų11572.8 Ų72.843%0.43435%0.346SS..Hα-helixtrans-66-41.1178.7177.5179.849.564.9-4.4111.7S154 E155 V156 K162S154-R158 WeakPolarHBondContact O-CB 3.4Å; S154-R158 PolarHBondContact O-N 3.27Å; S154-R158 VanDerWaalsContact O-N 3.11Å; E155-R158 PolarHBondContact O-N 2.63Å; E155-R158 VanDerWaalsContact O-N 3.12Å; E155-R158 IonicContact OE1-NH2 3.65Å; E155-R158 PolarHBondContact OE1-NH2 3.5Å; E155-R158 VanDerWaalsContact OE1-NH2 3.15Å; V156-R158 VanDerWaalsContact C-N 3.34Å; V156-R158 PolarHBondContact O-N 3.03Å; R158-K162 PolarHBondContact O-N 3.37Å
159N97.3Very high95.7Very high45 Ų4572.4 Ų72.424%0.24135%0.348CS..Hα-helixtrans-71.3-46.2178.7-70.4-16.8000111.3E155 V156 F161 K162 D163E155-N159 WeakPolarHBondContact CG-ND2 3.39Å; E155-N159 PolarHBondContact O-N 3.28Å; V156-N159 PolarHBondContact O-N 2.98Å; N159-F161 VanDerWaalsContact C-N 3.3Å; N159-F161 PolarHBondContact O-N 3Å; N159-K162 WeakPolarHBondContact O-CA 3.41Å; N159-K162 WeakPolarHBondContact O-CB 3.38Å; N159-K162 PolarHBondContact O-N 2.84Å; N159-D163 PolarHBondContact O-N 2.98Å
160A98Very high95.7Very high0 Ų073.5 Ų73.50%035%0.354CS..Hα-helixtrans-55.5-43.4174.700000111.7C147 V156 K162 D163 L164 L178C147-A160 HydrophobicContact CB-CB 4.33Å; V156-A160 WeakPolarHBondContact O-CB 3.29Å; V156-A160 PolarHBondContact O-N 3.33Å; A160-K162 VanDerWaalsContact C-N 3.31Å; A160-K162 PolarHBondContact O-N 2.73Å; A160-D163 PolarHBondContact O-N 2.95Å; A160-L164 WeakPolarHBondContact O-CB 3.44Å; A160-L164 WeakPolarHBondContact O-CG 3.42Å; A160-L164 PolarHBondContact O-N 3.47Å; A160-L178 HydrophobicContact CB-CD2 3.8Å
161F98.1Very high95.8Very high60 Ų6068 Ų6826%0.26334%0.336SS..Hα-helixtrans-56.2-44.5173.9-177.9-102.9000112.7R157 N159 M165 K171 A174 E175 L178R157-F161 PolarHBondContact O-N 2.95Å; N159-F161 VanDerWaalsContact C-N 3.3Å; N159-F161 PolarHBondContact O-N 3Å; F161-M165 HydrophobicContact CD1-CG 4.29Å; F161-M165 HydrophobicContact CD2-CG 4.44Å; F161-M165 HydrophobicContact CE1-CG 3.88Å; F161-M165 HydrophobicContact CE2-CG 4.05Å; F161-M165 HydrophobicContact CE2-SD 4.4Å; F161-M165 HydrophobicContact CZ-CG 3.76Å; F161-M165 HydrophobicContact CZ-SD 4.19Å; F161-M165 WeakPolarHBondContact O-CB 3.2Å; F161-M165 VanDerWaalsContact O-CG 3.24Å; F161-M165 WeakPolarHBondContact O-CG 3.22Å; F161-M165 PolarHBondContact O-N 3.1Å; F161-K171 HydrophobicContact CE2-CG 4.37Å; F161-K171 HydrophobicContact CZ-CG 4.25Å; F161-A174 HydrophobicContact CD2-CB 4.25Å; F161-A174 HydrophobicContact CE2-CB 4.17Å; F161-E175 HydrophobicContact CE2-CG 3.94Å; F161-L178 HydrophobicContact CB-CD1 3.68Å; F161-L178 HydrophobicContact CD2-CD1 3.64Å; F161-L178 HydrophobicContact CG-CD1 4.14Å
162K97.3Very high95.9Very high111 Ų11170.4 Ų70.448%0.48334%0.339SS..Hα-helixtrans-63.6-43.1177.8-67.6175.6179.7-178.40111.4R158 N159 A160 M165 K166R158-K162 PolarHBondContact O-N 3.37Å; N159-K162 WeakPolarHBondContact O-CA 3.41Å; N159-K162 WeakPolarHBondContact O-CB 3.38Å; N159-K162 PolarHBondContact O-N 2.84Å; A160-K162 VanDerWaalsContact C-N 3.31Å; A160-K162 PolarHBondContact O-N 2.73Å; K162-M165 PolarHBondContact O-N 3.33Å; K162-K166 WeakPolarHBondContact O-CG 3.38Å; K162-K166 PolarHBondContact O-N 3.45Å
163D96.2Very high96Very high32 Ų3266.6 Ų66.617%0.17132%0.319CS..Hα-helixtrans-70.3-39.9-177.9-65.1-28.5000112.5N159 A160 K166 T167N159-D163 PolarHBondContact O-N 2.98Å; A160-D163 PolarHBondContact O-N 2.95Å; D163-K166 PolarHBondContact O-N 3.16Å; D163-K166 IonicContact OD1-NZ 2.76Å; D163-K166 PolarHBondContact OD1-NZ 2.93Å; D163-T167 PolarHBondContact O-N 3.21Å; D163-T167 PolarHBondContact O-OG1 3.47Å
164L98Very high96.1Very high0 Ų062.4 Ų62.40%030%0.302CS..Hα-helixtrans-57.9-49.5170.5-69.5175.8000110.9A143 V144 A160 K166 T167 L168 A174 L177 L178 W191A143-L164 HydrophobicContact CB-CD2 3.67Å; V144-L164 HydrophobicContact CG1-CD2 3.94Å; A160-L164 WeakPolarHBondContact O-CB 3.44Å; A160-L164 WeakPolarHBondContact O-CG 3.42Å; A160-L164 PolarHBondContact O-N 3.47Å; L164-K166 VanDerWaalsContact C-N 3.34Å; L164-K166 PolarHBondContact O-N 3.43Å; L164-T167 PolarHBondContact O-N 3.16Å; L164-L168 HydrophobicContact CB-CD1 4.21Å; L164-L168 HydrophobicContact CD2-CD1 4.29Å; L164-L168 VanDerWaalsContact O-CB 3.29Å; L164-L168 WeakPolarHBondContact O-CB 3.47Å; L164-L168 WeakPolarHBondContact O-CG 3.46Å; L164-L168 PolarHBondContact O-N 3.08Å; L164-A174 HydrophobicContact CB-CB 3.79Å; L164-A174 HydrophobicContact CD1-CB 4.28Å; L164-L177 HydrophobicContact CD1-CB 4.06Å; L164-L177 HydrophobicContact CD1-CD1 4.4Å; L164-L177 HydrophobicContact CD2-CD1 3.74Å; L164-L178 HydrophobicContact CD1-CD1 4.38Å; L164-L178 HydrophobicContact CD1-CD2 4.07Å; L164-L178 HydrophobicContact CD1-CG 3.82Å; L164-W191 HydrophobicContact CD1-CH2 4.24Å
165M97.6Very high96.1Very high52 Ų5262.2 Ų62.226%0.25629%0.291SS..Hα-helixtrans-62.3-36179.6-76.1-61.5-61.700113.6F161 K162 T167 N169 K171 A174F161-M165 HydrophobicContact CD1-CG 4.29Å; F161-M165 HydrophobicContact CD2-CG 4.44Å; F161-M165 HydrophobicContact CE1-CG 3.88Å; F161-M165 HydrophobicContact CE2-CG 4.05Å; F161-M165 HydrophobicContact CE2-SD 4.4Å; F161-M165 HydrophobicContact CZ-CG 3.76Å; F161-M165 HydrophobicContact CZ-SD 4.19Å; F161-M165 WeakPolarHBondContact O-CB 3.2Å; F161-M165 VanDerWaalsContact O-CG 3.24Å; F161-M165 WeakPolarHBondContact O-CG 3.22Å; F161-M165 PolarHBondContact O-N 3.1Å; K162-M165 PolarHBondContact O-N 3.33Å; M165-T167 VanDerWaalsContact C-N 3.25Å; M165-T167 PolarHBondContact O-N 3.09Å; M165-N169 WeakPolarHBondContact O-CA 2.8Å; M165-N169 PolarHBondContact O-N 2.92Å; M165-K171 HydrophobicContact CE-CB 4.42Å; M165-K171 VanDerWaalsContact SD-CA 3.56Å; M165-K171 HydrophobicContact SD-CB 4.13Å; M165-A174 HydrophobicContact CG-CB 4.3Å; M165-A174 HydrophobicContact SD-CB 3.99Å
166K96.4Very high96.2Very high158 Ų15859.9 Ų59.969%0.68728%0.28SS*.Hα-helixtrans-59.8-36.2176.7-74.5169.1-166.4162.10112.7K162 D163 L164K162-K166 WeakPolarHBondContact O-CG 3.38Å; K162-K166 PolarHBondContact O-N 3.45Å; D163-K166 PolarHBondContact O-N 3.16Å; D163-K166 IonicContact OD1-NZ 2.76Å; D163-K166 PolarHBondContact OD1-NZ 2.93Å; L164-K166 VanDerWaalsContact C-N 3.34Å; L164-K166 PolarHBondContact O-N 3.43Å
167T94.6Very high96.2Very high39 Ų3959.9 Ų59.924%0.23928%0.28CS..Hα-helixtrans-92-46.5-175.6-51.80000111D139 A143 D163 L164 M165D139-T167 HydrophobicContact CB-CG2 4.48Å; A143-T167 HydrophobicContact CB-CG2 3.99Å; D163-T167 PolarHBondContact O-N 3.21Å; D163-T167 PolarHBondContact O-OG1 3.47Å; L164-T167 PolarHBondContact O-N 3.16Å; M165-T167 VanDerWaalsContact C-N 3.25Å; M165-T167 PolarHBondContact O-N 3.09Å
168L95.7Very high96.2Very high17 Ų1755.5 Ų55.59%0.08926%0.264CS..Hα-helixtrans-83.2-32.5-172-66.5169.1000113.3I136 D139 A140 A143 L164 N170 V173 L177I136-L168 HydrophobicContact CD1-CD2 3.98Å; D139-L168 HydrophobicContact CB-CD2 3.99Å; A140-L168 HydrophobicContact CB-CD2 4.14Å; A143-L168 HydrophobicContact CB-CD1 4.41Å; A143-L168 HydrophobicContact CB-CG 4.22Å; L164-L168 HydrophobicContact CB-CD1 4.21Å; L164-L168 HydrophobicContact CD2-CD1 4.29Å; L164-L168 VanDerWaalsContact O-CB 3.29Å; L164-L168 WeakPolarHBondContact O-CB 3.47Å; L164-L168 WeakPolarHBondContact O-CG 3.46Å; L164-L168 PolarHBondContact O-N 3.08Å; L168-N170 HydrophobicContact CB-CB 4.39Å; L168-N170 PolarHBondContact O-N 3.49Å; L168-V173 HydrophobicContact CD1-CB 4.26Å; L168-V173 HydrophobicContact CD1-CG1 3.79Å; L168-V173 HydrophobicContact CD2-CG1 4.25Å; L168-L177 HydrophobicContact CD1-CD1 3.76Å
169N95.1Very high96.2Very high140 Ų14052.9 Ų52.975%0.74926%0.261SS*.  trans45.232.8-166.6-167.539.9000113.2M165M165-N169 WeakPolarHBondContact O-CA 2.8Å; M165-N169 PolarHBondContact O-N 2.92Å
170N93.8Very high96.2Very high58 Ų5850.8 Ų50.831%0.3125%0.249SC..  trans-137.1109-178-174.6-40.7000108.7L168 D172 V173 A174L168-N170 HydrophobicContact CB-CB 4.39Å; L168-N170 PolarHBondContact O-N 3.49Å; N170-D172 PolarHBondContact OD1-N 2.85Å; N170-D172 VanDerWaalsContact OD1-N 3.1Å; N170-V173 HydrophobicContact CB-CB 4.18Å; N170-V173 HydrophobicContact CB-CG2 3.83Å; N170-V173 WeakPolarHBondContact ND2-CG2 3Å; N170-V173 WeakPolarHBondContact OD1-CG2 3.43Å; N170-V173 PolarHBondContact OD1-N 2.72Å; N170-V173 VanDerWaalsContact OD1-N 3.08Å; N170-A174 WeakPolarHBondContact O-CB 3.35Å; N170-A174 PolarHBondContact O-N 3.36Å; N170-A174 VanDerWaalsContact O-N 3.09Å
171K94.8Very high96.2Very high113 Ų11351 Ų5149%0.49125%0.25SS..Hα-helixtrans-65-42.8-175.6-176.9-178.8170.5-169.80112F161 M165 V173 A174 E175F161-K171 HydrophobicContact CE2-CG 4.37Å; F161-K171 HydrophobicContact CZ-CG 4.25Å; M165-K171 HydrophobicContact CE-CB 4.42Å; M165-K171 VanDerWaalsContact SD-CA 3.56Å; M165-K171 HydrophobicContact SD-CB 4.13Å; K171-V173 PolarHBondContact O-N 3.35Å; K171-A174 PolarHBondContact O-N 3.13Å; K171-E175 VanDerWaalsContact CE-CD 3.48Å; K171-E175 WeakPolarHBondContact CE-OE1 3.38Å; K171-E175 HydrophobicContact CG-CG 4.28Å; K171-E175 IonicContact NZ-OE1 3.83Å; K171-E175 WeakPolarHBondContact O-CB 3.24Å; K171-E175 WeakPolarHBondContact O-CG 3.26Å; K171-E175 PolarHBondContact O-N 2.79Å
172D92.5Very high96Very high99 Ų9949.5 Ų49.553%0.52924%0.244SC..Hα-helixtrans-65.7-41.4-175.9-56.6-36.6000110.8N170 E175 F176 W252N170-D172 PolarHBondContact OD1-N 2.85Å; N170-D172 VanDerWaalsContact OD1-N 3.1Å; D172-E175 PolarHBondContact O-N 3.14Å; D172-F176 VanDerWaalsContact O-CB 3.3Å; D172-F176 WeakPolarHBondContact O-CB 3.29Å; D172-F176 PolarHBondContact O-N 3.34Å; D172-W252 HydrophobicContact CB-CZ3 4.37Å
173V94.2Very high95.7Very high9 Ų946.5 Ų46.56%0.05524%0.241CC..Hα-helixtrans-63.6-45.2173.9-175.50000110.7I136 L168 N170 K171 F176 L177 W252I136-V173 HydrophobicContact CD1-CG1 4.41Å; I136-V173 HydrophobicContact CD1-CG2 3.93Å; I136-V173 HydrophobicContact CG1-CG2 4.22Å; L168-V173 HydrophobicContact CD1-CB 4.26Å; L168-V173 HydrophobicContact CD1-CG1 3.79Å; L168-V173 HydrophobicContact CD2-CG1 4.25Å; N170-V173 HydrophobicContact CB-CB 4.18Å; N170-V173 HydrophobicContact CB-CG2 3.83Å; N170-V173 WeakPolarHBondContact ND2-CG2 3Å; N170-V173 WeakPolarHBondContact OD1-CG2 3.43Å; N170-V173 PolarHBondContact OD1-N 2.72Å; N170-V173 VanDerWaalsContact OD1-N 3.08Å; K171-V173 PolarHBondContact O-N 3.35Å; V173-F176 PolarHBondContact O-N 3.3Å; V173-L177 HydrophobicContact CG1-CD1 4.12Å; V173-L177 HydrophobicContact CG1-CG 4.45Å; V173-L177 VanDerWaalsContact O-CG 3.32Å; V173-L177 WeakPolarHBondContact O-CG 3.45Å; V173-L177 PolarHBondContact O-N 3.34Å; V173-W252 HydrophobicContact CB-CH2 3.94Å; V173-W252 HydrophobicContact CG1-CH2 4.26Å; V173-W252 HydrophobicContact CG2-CH2 3.49Å; V173-W252 VanDerWaalsContact CG2-CH2 3.49Å; V173-W252 HydrophobicContact CG2-CZ3 3.97Å
174A96.7Very high95.3Very high0 Ų050.2 Ų50.20%026%0.255CS..Hα-helixtrans-62.9-43.8179.900000112F161 L164 M165 N170 K171 L177 L178F161-A174 HydrophobicContact CD2-CB 4.25Å; F161-A174 HydrophobicContact CE2-CB 4.17Å; L164-A174 HydrophobicContact CB-CB 3.79Å; L164-A174 HydrophobicContact CD1-CB 4.28Å; M165-A174 HydrophobicContact CG-CB 4.3Å; M165-A174 HydrophobicContact SD-CB 3.99Å; N170-A174 WeakPolarHBondContact O-CB 3.35Å; N170-A174 PolarHBondContact O-N 3.36Å; N170-A174 VanDerWaalsContact O-N 3.09Å; K171-A174 PolarHBondContact O-N 3.13Å; A174-L177 PolarHBondContact O-N 3.48Å; A174-L178 VanDerWaalsContact O-CG 3.28Å; A174-L178 WeakPolarHBondContact O-CG 3.45Å; A174-L178 PolarHBondContact O-N 2.95Å; A174-L178 VanDerWaalsContact O-N 3.13Å
175E96.1Very high94.8Very high82 Ų8260.6 Ų60.638%0.38330%0.3SS..Hα-helixtrans-66.4-39.3176.8-71.8-174.8166.200112F161 K171 D172 L178 T179F161-E175 HydrophobicContact CE2-CG 3.94Å; K171-E175 VanDerWaalsContact CE-CD 3.48Å; K171-E175 WeakPolarHBondContact CE-OE1 3.38Å; K171-E175 HydrophobicContact CG-CG 4.28Å; K171-E175 IonicContact NZ-OE1 3.83Å; K171-E175 WeakPolarHBondContact O-CB 3.24Å; K171-E175 WeakPolarHBondContact O-CG 3.26Å; K171-E175 PolarHBondContact O-N 2.79Å; D172-E175 PolarHBondContact O-N 3.14Å; E175-L178 PolarHBondContact O-N 2.63Å; E175-T179 PolarHBondContact O-N 3.01Å
176F95.9Very high94.4Very high31 Ų3162.3 Ų62.314%0.13633%0.331CS..Hα-helixtrans-60.7-49.6174174.3-104.5000112F25 D172 V173 L178 T179 W252F25-F176 HydrophobicContact CB-CE1 4.16Å; D172-F176 VanDerWaalsContact O-CB 3.3Å; D172-F176 WeakPolarHBondContact O-CB 3.29Å; D172-F176 PolarHBondContact O-N 3.34Å; V173-F176 PolarHBondContact O-N 3.3Å; F176-L178 VanDerWaalsContact C-N 3.26Å; F176-L178 PolarHBondContact O-N 3.04Å; F176-T179 WeakPolarHBondContact O-CB 3.44Å; F176-T179 WeakPolarHBondContact O-CG2 3.47Å; F176-T179 PolarHBondContact O-N 3.17Å; F176-T179 PolarHBondContact O-OG1 3.14Å; F176-W252 HydrophobicContact CB-CH2 4.44Å; F176-W252 HydrophobicContact CB-CZ2 3.96Å; F176-W252 AromaticContact CD1-CE2 3.84Å; F176-W252 AromaticContact CD1-CZ2 3.51Å; F176-W252 HydrophobicContact CD1-CZ2 3.51Å; F176-W252 AromaticContact CD1-NE1 3.72Å; F176-W252 HydrophobicContact CD2-CZ2 4.47Å; F176-W252 AromaticContact CD2-NE1 3.54Å; F176-W252 HydrophobicContact CE1-CZ2 4.1Å; F176-W252 AromaticContact CE1-NE1 3.66Å; F176-W252 AromaticContact CE2-NE1 3.5Å; F176-W252 AromaticContact CG-CE2 3.76Å; F176-W252 AromaticContact CG-CZ2 3.71Å; F176-W252 HydrophobicContact CG-CZ2 3.71Å; F176-W252 AromaticContact CG-NE1 3.64Å; F176-W252 AromaticContact CZ-NE1 3.56Å
177L97.7Very high94.1Very high1 Ų159.6 Ų59.61%0.00532%0.321CS..Hα-helixtrans-57.4-41.6177.8-70.8170.1000111.4F25 A140 V144 L164 L168 V173 A174 T179 S180 W191 F193F25-L177 HydrophobicContact CB-CD2 3.59Å; F25-L177 HydrophobicContact CD1-CD2 4.25Å; F25-L177 HydrophobicContact CD2-CD2 3.81Å; F25-L177 HydrophobicContact CG-CD2 3.63Å; A140-L177 HydrophobicContact CB-CD1 4.15Å; V144-L177 HydrophobicContact CG1-CD1 3.98Å; V144-L177 HydrophobicContact CG1-CD2 4.14Å; V144-L177 HydrophobicContact CG1-CG 4.49Å; L164-L177 HydrophobicContact CD1-CB 4.06Å; L164-L177 HydrophobicContact CD1-CD1 4.4Å; L164-L177 HydrophobicContact CD2-CD1 3.74Å; L168-L177 HydrophobicContact CD1-CD1 3.76Å; V173-L177 HydrophobicContact CG1-CD1 4.12Å; V173-L177 HydrophobicContact CG1-CG 4.45Å; V173-L177 VanDerWaalsContact O-CG 3.32Å; V173-L177 WeakPolarHBondContact O-CG 3.45Å; V173-L177 PolarHBondContact O-N 3.34Å; A174-L177 PolarHBondContact O-N 3.48Å; L177-T179 PolarHBondContact O-N 3.15Å; L177-S180 WeakPolarHBondContact O-CB 3.49Å; L177-S180 PolarHBondContact O-N 3.37Å; L177-W191 VanDerWaalsContact O-CZ3 3.3Å; L177-W191 WeakPolarHBondContact O-CZ3 3.11Å; L177-F193 HydrophobicContact CD2-CZ 4.46Å
178L97.5Very high94Very high3 Ų361.8 Ų61.82%0.01634%0.336CS..Hα-helixtrans-64.7-16.2177.9-71168.9000114.3R157 A160 F161 L164 A174 E175 F176 S180 L181 W191R157-L178 HydrophobicContact CG-CD2 4.29Å; A160-L178 HydrophobicContact CB-CD2 3.8Å; F161-L178 HydrophobicContact CB-CD1 3.68Å; F161-L178 HydrophobicContact CD2-CD1 3.64Å; F161-L178 HydrophobicContact CG-CD1 4.14Å; L164-L178 HydrophobicContact CD1-CD1 4.38Å; L164-L178 HydrophobicContact CD1-CD2 4.07Å; L164-L178 HydrophobicContact CD1-CG 3.82Å; A174-L178 VanDerWaalsContact O-CG 3.28Å; A174-L178 WeakPolarHBondContact O-CG 3.45Å; A174-L178 PolarHBondContact O-N 2.95Å; A174-L178 VanDerWaalsContact O-N 3.13Å; E175-L178 PolarHBondContact O-N 2.63Å; F176-L178 VanDerWaalsContact C-N 3.26Å; F176-L178 PolarHBondContact O-N 3.04Å; L178-S180 PolarHBondContact O-N 2.71Å; L178-L181 HydrophobicContact CD2-CB 4.34Å; L178-L181 HydrophobicContact CD2-CD2 3.91Å; L178-L181 WeakPolarHBondContact O-CB 3.3Å; L178-L181 PolarHBondContact O-N 3Å; L178-L181 VanDerWaalsContact O-N 3.14Å; L178-W191 HydrophobicContact CD2-CH2 4.13Å
179T96.8Very high94Very high61 Ų6161.4 Ų61.437%0.37433%0.334SS..Hα-helixtrans-63.7-27.4170.869.40000112.1H27 N30 E175 F176 L177H27-T179 PolarHBondContact NE2-O 2.97Å; N30-T179 PolarHBondContact ND2-OG1 2.83Å; E175-T179 PolarHBondContact O-N 3.01Å; F176-T179 WeakPolarHBondContact O-CB 3.44Å; F176-T179 WeakPolarHBondContact O-CG2 3.47Å; F176-T179 PolarHBondContact O-N 3.17Å; F176-T179 PolarHBondContact O-OG1 3.14Å; L177-T179 PolarHBondContact O-N 3.15Å
180S97.5Very high94.1Very high0 Ų056.6 Ų56.60%031%0.312CS..THydrogen-bonded Turntrans-90.10.7176.2-71.10000113.4F25 L177 L178 K192F25-S180 PolarHBondContact O-OG 3.32Å; L177-S180 WeakPolarHBondContact O-CB 3.49Å; L177-S180 PolarHBondContact O-N 3.37Å; L178-S180 PolarHBondContact O-N 2.71Å; S180-K192 WeakPolarHBondContact O-CG 3.32Å; S180-K192 PolarHBondContact O-N 2.87Å
181L97.7Very high94.2Very high4 Ų454.6 Ų54.62%0.02130%0.3CS..EExtended strand (participates in β ladder)trans-81.1118.2171-177.467.8000109.5L149 Y153 V156 R157 L178 P189 W191L149-L181 HydrophobicContact CD2-CD1 3.83Å; Y153-L181 HydrophobicContact CE2-CD2 4.31Å; Y153-L181 HydrophobicContact CE2-CG 4.06Å; Y153-L181 PolarHBondContact OH-O 2.93Å; Y153-L181 VanDerWaalsContact OH-O 3.05Å; V156-L181 HydrophobicContact CG1-CD1 4.36Å; V156-L181 HydrophobicContact CG1-CD2 4.27Å; R157-L181 HydrophobicContact CB-CD2 3.81Å; R157-L181 HydrophobicContact CG-CD2 4.03Å; L178-L181 HydrophobicContact CD2-CB 4.34Å; L178-L181 HydrophobicContact CD2-CD2 3.91Å; L178-L181 WeakPolarHBondContact O-CB 3.3Å; L178-L181 PolarHBondContact O-N 3Å; L178-L181 VanDerWaalsContact O-N 3.14Å; L181-P189 HydrophobicContact CD1-CB 4.22Å; L181-W191 HydrophobicContact CB-CE3 4.13Å; L181-W191 HydrophobicContact CB-CH2 4.42Å; L181-W191 HydrophobicContact CB-CZ3 3.74Å; L181-W191 HydrophobicContact CD1-CE3 4.37Å; L181-W191 HydrophobicContact CD1-CZ3 4.35Å
182H94Very high94.3Very high29 Ų2950.9 Ų50.913%0.13428%0.284CS..EExtended strand (participates in β ladder)trans-132.4159.2-178.579.3-57.3000111.8P189 S190 K192H182-P189 CarbonylContact O-C 3.55Å; H182-P189 VanDerWaalsContact O-CA 3.22Å; H182-P189 WeakPolarHBondContact O-CA 3.42Å; H182-S190 PolarHBondContact CE1-OG 2.98Å; H182-S190 PolarHBondContact N-O 3.47Å; H182-S190 PolarHBondContact ND1-O 3.28Å; H182-S190 PolarHBondContact O-N 2.81Å; H182-K192 HydrophobicContact CB-CD 4.35Å; H182-K192 HydrophobicContact CB-CG 4.02Å; H182-K192 VanDerWaalsContact ND1-CG 3.31Å; H182-K192 WeakPolarHBondContact ND1-CG 3.32Å
183A91.2Very high94.6Very high49 Ų4946.4 Ų46.441%0.40526%0.26SS..  trans-128.9125.7169.800000108.8Y153 P189Y153-A183 HydrophobicContact CD2-CB 3.72Å; Y153-A183 HydrophobicContact CE2-CB 4.48Å; Y153-A183 HydrophobicContact CG-CB 4.34Å; A183-P189 HydrophobicContact CB-CB 4.47Å; A183-P189 HydrophobicContact CB-CG 4.25Å
184K87.8Confident94.8Very high109 Ų10947.3 Ų47.347%0.47426%0.264SS..  trans-86.6151.2168.4-66.7175.4-174.9168.30108.9G186 E187K184-G186 PolarHBondContact O-N 3.16Å; K184-G186 VanDerWaalsContact O-N 3.14Å; K184-E187 HydrophobicContact CB-CB 4.09Å; K184-E187 HydrophobicContact CB-CG 4.28Å; K184-E187 PolarHBondContact O-N 2.92Å
185K87.8Confident94.8Very high218 Ų21849 Ų4995%0.94827%0.273SS*.THydrogen-bonded Turntrans-61.3120.2-179.3-174.7-179.6-179.9-178.40109.8E187K185-E187 VanDerWaalsContact C-N 3.32Å
186G87.8Confident94.8Very high88 Ų8851.7 Ų51.791%0.90729%0.285SS*.THydrogen-bonded Turntrans841-179.700000114.8K184K184-G186 PolarHBondContact O-N 3.16Å; K184-G186 VanDerWaalsContact O-N 3.14Å
187E90.9Very high94.9Very high101 Ų10150.3 Ų50.347%0.47228%0.279SS..SBendtrans-113.7150.3175.3-66.5176.5-136.700110.1K184 K185K184-E187 HydrophobicContact CB-CB 4.09Å; K184-E187 HydrophobicContact CB-CG 4.28Å; K184-E187 PolarHBondContact O-N 2.92Å; K185-E187 VanDerWaalsContact C-N 3.32Å
188P92.2Very high94.9Very high86 Ų8650.2 Ų50.256%0.55828%0.279SS*.  trans-62.5154.8171.728-34.5000110.9
189P96.5Very high94.8Very high8 Ų853.1 Ų53.15%0.05229%0.294CS..  trans-53.1143.9169.6-25.334.8000111.8L149 G151 Y153 V156 L181 H182 A183L149-P189 WeakPolarHBondContact CB-O 3.33Å; G151-P189 WeakPolarHBondContact O-CD 3.28Å; Y153-P189 HydrophobicContact CD2-CB 4.39Å; Y153-P189 HydrophobicContact CD2-CG 4.33Å; V156-P189 HydrophobicContact CB-CB 4.28Å; V156-P189 HydrophobicContact CB-CG 4.05Å; V156-P189 HydrophobicContact CG1-CB 3.87Å; V156-P189 HydrophobicContact CG1-CG 4.19Å; V156-P189 HydrophobicContact CG2-CG 4.01Å; L181-P189 HydrophobicContact CD1-CB 4.22Å; H182-P189 CarbonylContact O-C 3.55Å; H182-P189 VanDerWaalsContact O-CA 3.22Å; H182-P189 WeakPolarHBondContact O-CA 3.42Å; A183-P189 HydrophobicContact CB-CB 4.47Å; A183-P189 HydrophobicContact CB-CG 4.25Å
190S95.8Very high94.8Very high39 Ų3954.8 Ų54.827%0.27330%0.301SS..EExtended strand (participates in β ladder)trans-149159.1-179.351.50000111.1H182H182-S190 PolarHBondContact CE1-OG 2.98Å; H182-S190 PolarHBondContact N-O 3.47Å; H182-S190 PolarHBondContact ND1-O 3.28Å; H182-S190 PolarHBondContact O-N 2.81Å
191W97.4Very high94.6Very high16 Ų1656.8 Ų56.86%0.06131%0.31CS..EExtended strand (participates in β ladder)trans-74.6135.7169.4-61.6112.2000110V144 C147 L149 L164 L177 L178 L181 F193 I195V144-W191 HydrophobicContact CB-CZ2 4.16Å; V144-W191 HydrophobicContact CG1-CH2 4.47Å; V144-W191 HydrophobicContact CG1-CZ2 4.1Å; V144-W191 PolarHBondContact O-NE1 3.02Å; C147-W191 HydrophobicContact CB-CZ2 4.03Å; L149-W191 HydrophobicContact CD1-CG 4.3Å; L149-W191 HydrophobicContact CD2-CZ2 4.48Å; L164-W191 HydrophobicContact CD1-CH2 4.24Å; L177-W191 VanDerWaalsContact O-CZ3 3.3Å; L177-W191 WeakPolarHBondContact O-CZ3 3.11Å; L178-W191 HydrophobicContact CD2-CH2 4.13Å; L181-W191 HydrophobicContact CB-CE3 4.13Å; L181-W191 HydrophobicContact CB-CH2 4.42Å; L181-W191 HydrophobicContact CB-CZ3 3.74Å; L181-W191 HydrophobicContact CD1-CE3 4.37Å; L181-W191 HydrophobicContact CD1-CZ3 4.35Å; W191-F193 HydrophobicContact CB-CD2 4.1Å; W191-F193 HydrophobicContact CB-CE1 4.33Å; W191-F193 HydrophobicContact CB-CE2 3.82Å; W191-F193 HydrophobicContact CB-CG 4.46Å; W191-F193 HydrophobicContact CB-CZ 3.93Å; W191-F193 HydrophobicContact CD2-CE1 4.38Å; W191-F193 HydrophobicContact CD2-CE2 4.28Å; W191-F193 AromaticContact CD2-CZ 3.75Å; W191-F193 HydrophobicContact CD2-CZ 3.75Å; W191-F193 AromaticContact CE3-CE1 3.96Å; W191-F193 HydrophobicContact CE3-CE1 3.96Å; W191-F193 AromaticContact CE3-CZ 3.71Å; W191-F193 HydrophobicContact CE3-CZ 3.71Å; W191-F193 AromaticContact CG-CE2 3.94Å; W191-F193 HydrophobicContact CG-CE2 3.94Å; W191-F193 AromaticContact CG-CZ 3.87Å; W191-F193 HydrophobicContact CG-CZ 3.87Å; W191-F193 HydrophobicContact CZ3-CZ 4.5Å; W191-F193 PolarHBondContact O-N 3.05Å; W191-I195 HydrophobicContact CB-CD1 4.48Å; W191-I195 HydrophobicContact CG-CD1 4.07Å
192K97.2Very high94.3Very high36 Ų3657.1 Ų57.116%0.15731%0.312CS..SBendtrans-68.3-18.1174.1-75-167.6172.1-142.90113.5H54 G55 D56 H59 S180 H182H54-K192 CarbonylContact C-O 3.56Å; G55-K192 PolarHBondContact N-O 3.26Å; G55-K192 VanDerWaalsContact O-O 3.07Å; D56-K192 IonicContact OD1-NZ 2.62Å; D56-K192 PolarHBondContact OD1-NZ 3.33Å; D56-K192 IonicContact OD2-NZ 3.57Å; H59-K192 PolarHBondContact CE1-O 2.91Å; H59-K192 PolarHBondContact NE2-O 3.48Å; S180-K192 WeakPolarHBondContact O-CG 3.32Å; S180-K192 PolarHBondContact O-N 2.87Å; H182-K192 HydrophobicContact CB-CD 4.35Å; H182-K192 HydrophobicContact CB-CG 4.02Å; H182-K192 VanDerWaalsContact ND1-CG 3.31Å; H182-K192 WeakPolarHBondContact ND1-CG 3.32Å
193F97.8Very high94.1Very high5 Ų558.2 Ų58.22%0.02232%0.323CS..SBendtrans-99.7149.7176.751.7-102.9000112.1F25 N53 V144 L177 W191 I195 I198F25-F193 HydrophobicContact CB-CD1 4.06Å; F25-F193 HydrophobicContact CB-CE1 3.94Å; F25-F193 HydrophobicContact CD1-CD1 4.23Å; F25-F193 AromaticContact CD1-CD2 4Å; F25-F193 HydrophobicContact CD1-CD2 4Å; F25-F193 HydrophobicContact CD1-CE1 4.13Å; F25-F193 AromaticContact CD1-CE2 3.91Å; F25-F193 HydrophobicContact CD1-CE2 3.91Å; F25-F193 HydrophobicContact CD1-CG 4.17Å; F25-F193 AromaticContact CD1-CZ 3.99Å; F25-F193 HydrophobicContact CD1-CZ 3.99Å; F25-F193 HydrophobicContact CE1-CE2 4.44Å; F25-F193 HydrophobicContact CG-CE1 4.48Å; F25-F193 WeakPolarHBondContact O-CD1 2.96Å; N53-F193 CarbonylContact O-C 3.49Å; N53-F193 WeakPolarHBondContact O-CA 3.34Å; N53-F193 WeakPolarHBondContact O-CB 3.41Å; V144-F193 HydrophobicContact CB-CE2 4.38Å; V144-F193 HydrophobicContact CB-CZ 4.38Å; V144-F193 HydrophobicContact CG1-CE2 4.4Å; V144-F193 HydrophobicContact CG1-CZ 3.98Å; V144-F193 HydrophobicContact CG2-CE2 4.14Å; L177-F193 HydrophobicContact CD2-CZ 4.46Å; W191-F193 HydrophobicContact CB-CD2 4.1Å; W191-F193 HydrophobicContact CB-CE1 4.33Å; W191-F193 HydrophobicContact CB-CE2 3.82Å; W191-F193 HydrophobicContact CB-CG 4.46Å; W191-F193 HydrophobicContact CB-CZ 3.93Å; W191-F193 HydrophobicContact CD2-CE1 4.38Å; W191-F193 HydrophobicContact CD2-CE2 4.28Å; W191-F193 AromaticContact CD2-CZ 3.75Å; W191-F193 HydrophobicContact CD2-CZ 3.75Å; W191-F193 AromaticContact CE3-CE1 3.96Å; W191-F193 HydrophobicContact CE3-CE1 3.96Å; W191-F193 AromaticContact CE3-CZ 3.71Å; W191-F193 HydrophobicContact CE3-CZ 3.71Å; W191-F193 AromaticContact CG-CE2 3.94Å; W191-F193 HydrophobicContact CG-CE2 3.94Å; W191-F193 AromaticContact CG-CZ 3.87Å; W191-F193 HydrophobicContact CG-CZ 3.87Å; W191-F193 HydrophobicContact CZ3-CZ 4.5Å; W191-F193 PolarHBondContact O-N 3.05Å; F193-I195 HydrophobicContact CD2-CG1 3.93Å; F193-I195 HydrophobicContact CE2-CD1 4.38Å; F193-I195 HydrophobicContact CE2-CG1 3.69Å; F193-I195 PolarHBondContact O-N 3.06Å; F193-I198 HydrophobicContact CB-CD1 3.91Å; F193-I198 HydrophobicContact CD2-CD1 4.08Å; F193-I198 HydrophobicContact CG-CD1 4.24Å
194N97.5Very high94Very high28 Ų2858.9 Ų58.915%0.1532%0.32CS..  trans-81.297.7177.7-174.9-12.6000110.2N53 H59 F60 E196 A197 I198N53-N194 HydrophobicContact CB-CB 3.78Å; N53-N194 PolarHBondContact O-N 2.8Å; N53-N194 WeakPolarHBondContact OD1-CB 3.18Å; N53-N194 PolarHBondContact OD1-ND2 3.02Å; H59-N194 HydrophobicContact CB-CB 4.23Å; F60-N194 PolarHBondContact O-ND2 2.82Å; N194-E196 VanDerWaalsContact C-N 3.3Å; N194-E196 PolarHBondContact O-N 3.19Å; N194-E196 PolarHBondContact OD1-N 3.35Å; N194-A197 HydrophobicContact CB-CB 4.08Å; N194-A197 WeakPolarHBondContact ND2-CB 3.47Å; N194-A197 PolarHBondContact O-N 3.05Å; N194-A197 PolarHBondContact OD1-N 2.9Å; N194-I198 VanDerWaalsContact O-CG1 3.3Å; N194-I198 WeakPolarHBondContact O-CG1 3.32Å; N194-I198 PolarHBondContact O-N 3.03Å
195I97.3Very high94Very high36 Ų3653.8 Ų53.819%0.18530%0.298CS..Hα-helixtrans-56.8-44.4-179.2-67.6167.5000111.7V144 K145 W191 F193 I198 D199V144-I195 HydrophobicContact CB-CD1 4.36Å; V144-I195 HydrophobicContact CG2-CD1 4.03Å; V144-I195 HydrophobicContact CG2-CG1 4.04Å; K145-I195 HydrophobicContact CD-CG2 4.29Å; K145-I195 HydrophobicContact CG-CG2 3.54Å; W191-I195 HydrophobicContact CB-CD1 4.48Å; W191-I195 HydrophobicContact CG-CD1 4.07Å; F193-I195 HydrophobicContact CD2-CG1 3.93Å; F193-I195 HydrophobicContact CE2-CD1 4.38Å; F193-I195 HydrophobicContact CE2-CG1 3.69Å; F193-I195 PolarHBondContact O-N 3.06Å; I195-I198 PolarHBondContact O-N 2.91Å; I195-D199 VanDerWaalsContact O-CB 3.28Å; I195-D199 WeakPolarHBondContact O-CB 3.45Å; I195-D199 PolarHBondContact O-N 3.44Å
196E97.2Very high93.7Very high138 Ų13844.3 Ų44.365%0.64526%0.257SS*.Hα-helixtrans-65.1-46.9-175-178178.1-17400111.1N194 I198 D199 N200N194-E196 VanDerWaalsContact C-N 3.3Å; N194-E196 PolarHBondContact O-N 3.19Å; N194-E196 PolarHBondContact OD1-N 3.35Å; E196-I198 PolarHBondContact O-N 3.4Å; E196-D199 PolarHBondContact O-N 3.04Å; E196-N200 WeakPolarHBondContact O-CB 3.44Å; E196-N200 PolarHBondContact O-N 2.96Å; E196-N200 PolarHBondContact O-ND2 2.74Å
197A97.6Very high93.4Very high1 Ų145.5 Ų45.51%0.00823%0.234CC..Hα-helixtrans-65.1-40.2177.700000112.3N53 F60 P61 M63 N194 H201N53-A197 WeakPolarHBondContact ND2-CB 3.42Å; F60-A197 VanDerWaalsContact O-CB 3.31Å; F60-A197 WeakPolarHBondContact O-CB 3.35Å; P61-A197 WeakPolarHBondContact O-CB 3.3Å; M63-A197 HydrophobicContact CG-CB 4.44Å; M63-A197 HydrophobicContact SD-CB 4.12Å; N194-A197 HydrophobicContact CB-CB 4.08Å; N194-A197 WeakPolarHBondContact ND2-CB 3.47Å; N194-A197 PolarHBondContact O-N 3.05Å; N194-A197 PolarHBondContact OD1-N 2.9Å; A197-H201 WeakPolarHBondContact O-CB 3.31Å; A197-H201 PolarHBondContact O-CD2 2.84Å; A197-H201 PolarHBondContact O-N 2.89Å; A197-H201 VanDerWaalsContact O-N 3.09Å
198I97Very high92.5Very high0 Ų041.6 Ų41.60%022%0.216CC..Hα-helixtrans-63-47.1176.2-65.3170.5000109.9L24 F25 M63 L141 F193 N194 I195 E196 N200 H201 I202L24-I198 HydrophobicContact CD1-CD1 4.1Å; L24-I198 HydrophobicContact CD1-CG1 4.29Å; L24-I198 HydrophobicContact CD1-CG2 3.87Å; F25-I198 HydrophobicContact CD1-CD1 4.01Å; F25-I198 HydrophobicContact CE1-CD1 3.96Å; F25-I198 HydrophobicContact CE1-CG2 4.07Å; F25-I198 HydrophobicContact CZ-CG2 4.37Å; M63-I198 HydrophobicContact CE-CG1 4.02Å; M63-I198 HydrophobicContact SD-CB 4.25Å; M63-I198 HydrophobicContact SD-CG1 3.65Å; L141-I198 HydrophobicContact CD1-CG2 4.28Å; L141-I198 HydrophobicContact CD2-CB 4.2Å; L141-I198 HydrophobicContact CD2-CG2 3.7Å; L141-I198 HydrophobicContact CG-CG2 4.44Å; F193-I198 HydrophobicContact CB-CD1 3.91Å; F193-I198 HydrophobicContact CD2-CD1 4.08Å; F193-I198 HydrophobicContact CG-CD1 4.24Å; N194-I198 VanDerWaalsContact O-CG1 3.3Å; N194-I198 WeakPolarHBondContact O-CG1 3.32Å; N194-I198 PolarHBondContact O-N 3.03Å; I195-I198 PolarHBondContact O-N 2.91Å; E196-I198 PolarHBondContact O-N 3.4Å; I198-N200 PolarHBondContact O-N 3.08Å; I198-H201 PolarHBondContact O-N 3.2Å; I198-I202 HydrophobicContact CG2-CD1 4.19Å; I198-I202 WeakPolarHBondContact O-CA 3.41Å; I198-I202 VanDerWaalsContact O-CB 3.24Å; I198-I202 WeakPolarHBondContact O-CB 3.37Å; I198-I202 PolarHBondContact O-N 2.87Å
199D95.7Very high91.8Very high63 Ų6342.7 Ų42.734%0.33722%0.217SC..Hα-helixtrans-61.1-44.4-179.1-170.565.8000112.6K145 I195 E196 H201K145-D199 IonicContact NZ-OD1 2.6Å; K145-D199 PolarHBondContact NZ-OD1 3.01Å; K145-D199 IonicContact NZ-OD2 2.84Å; K145-D199 PolarHBondContact NZ-OD2 3.42Å; I195-D199 VanDerWaalsContact O-CB 3.28Å; I195-D199 WeakPolarHBondContact O-CB 3.45Å; I195-D199 PolarHBondContact O-N 3.44Å; E196-D199 PolarHBondContact O-N 3.04Å; D199-H201 VanDerWaalsContact C-N 3.3Å; D199-H201 PolarHBondContact O-N 3.14Å
200N95.8Very high90.9Very high97 Ų9743.7 Ų43.752%0.51922%0.222SC..Hα-helixtrans-66.7-30.3179.5-71.3-23000112.9E196 I198E196-N200 WeakPolarHBondContact O-CB 3.44Å; E196-N200 PolarHBondContact O-N 2.96Å; E196-N200 PolarHBondContact O-ND2 2.74Å; I198-N200 PolarHBondContact O-N 3.08Å
201H94.3Very high90Very high41 Ų4146.7 Ų46.719%0.1923%0.232CC..Hα-helixtrans-1174.5-171.2-65.7-63000114.9P61 M63 A197 I198 D199 S203 D204 I205P61-H201 PolarHBondContact O-CD2 3.29Å; P61-H201 VanDerWaalsContact O-CD2 3.28Å; P61-H201 PolarHBondContact O-NE2 3Å; M63-H201 HydrophobicContact CG-CB 3.82Å; A197-H201 WeakPolarHBondContact O-CB 3.31Å; A197-H201 PolarHBondContact O-CD2 2.84Å; A197-H201 PolarHBondContact O-N 2.89Å; A197-H201 VanDerWaalsContact O-N 3.09Å; I198-H201 PolarHBondContact O-N 3.2Å; D199-H201 VanDerWaalsContact C-N 3.3Å; D199-H201 PolarHBondContact O-N 3.14Å; H201-S203 PolarHBondContact O-N 3.21Å; H201-S203 VanDerWaalsContact O-N 3.14Å; H201-D204 IonicContact ND1-OD2 2.71Å; H201-D204 PolarHBondContact ND1-OD2 3.39Å; H201-D204 WeakPolarHBondContact O-CA 3.44Å; H201-D204 WeakPolarHBondContact O-CB 3.26Å; H201-D204 PolarHBondContact O-N 3.38Å; H201-I205 HydrophobicContact CB-CG2 4.35Å; H201-I205 PolarHBondContact O-N 2.97Å
202I92.2Very high89.1Confident12 Ų1252.1 Ų52.16%0.06227%0.269CS..Hα-helixtrans-57.6-37.9-173.3-171.261.4000112.2L24 P133 I137 L141 I198 D204 I205 L206L24-I202 HydrophobicContact CD1-CD1 4.46Å; L24-I202 HydrophobicContact CD2-CD1 3.55Å; P133-I202 HydrophobicContact CB-CG1 4.08Å; P133-I202 HydrophobicContact CG-CG2 4.41Å; I137-I202 HydrophobicContact CG2-CD1 3.63Å; I137-I202 HydrophobicContact CG2-CG1 3.74Å; L141-I202 HydrophobicContact CD1-CB 4.28Å; L141-I202 HydrophobicContact CD1-CG1 4.32Å; L141-I202 HydrophobicContact CD1-CG2 4.29Å; I198-I202 HydrophobicContact CG2-CD1 4.19Å; I198-I202 WeakPolarHBondContact O-CA 3.41Å; I198-I202 VanDerWaalsContact O-CB 3.24Å; I198-I202 WeakPolarHBondContact O-CB 3.37Å; I198-I202 PolarHBondContact O-N 2.87Å; I202-D204 VanDerWaalsContact C-N 3.33Å; I202-I205 HydrophobicContact CD1-CD1 3.89Å; I202-I205 HydrophobicContact CD1-CG1 4.15Å; I202-I205 WeakPolarHBondContact O-CG1 3.31Å; I202-L206 HydrophobicContact CD1-CD1 4.4Å; I202-L206 HydrophobicContact CG1-CD1 4.22Å; I202-L206 WeakPolarHBondContact O-CD1 3.12Å; I202-L206 WeakPolarHBondContact O-CG 3.43Å; I202-L206 PolarHBondContact O-N 3.36Å
203S89.5Confident88.4Confident52 Ų5253.5 Ų53.536%0.36429%0.294SS..Hα-helixtrans-70.6-30.6178-62.50000112.3H201 R207H201-S203 PolarHBondContact O-N 3.21Å; H201-S203 VanDerWaalsContact O-N 3.14Å; S203-R207 WeakPolarHBondContact O-CG 3.36Å
204D87.9Confident87.9Confident63 Ų6355.7 Ų55.734%0.33730%0.301SS..Hα-helixtrans-77.7-42.6-179.5-60.3-33.2000111.1H201 I202 L206 R207H201-D204 IonicContact ND1-OD2 2.71Å; H201-D204 PolarHBondContact ND1-OD2 3.39Å; H201-D204 WeakPolarHBondContact O-CA 3.44Å; H201-D204 WeakPolarHBondContact O-CB 3.26Å; H201-D204 PolarHBondContact O-N 3.38Å; I202-D204 VanDerWaalsContact C-N 3.33Å; D204-L206 PolarHBondContact O-N 2.89Å; D204-R207 WeakPolarHBondContact O-CB 3.4Å; D204-R207 PolarHBondContact O-N 3.01Å
205I88.7Confident87.6Confident1 Ų157.4 Ų57.41%0.00531%0.313CS..Hα-helixtrans-70-17.4-179.971.4178.9000112.9L24 M63 V65 M68 L93 R96 H201 I202 R207L24-I205 HydrophobicContact CD1-CD1 4.02Å; M63-I205 HydrophobicContact CE-CD1 3.77Å; M63-I205 HydrophobicContact CE-CG2 4.29Å; M63-I205 HydrophobicContact CG-CG2 4.23Å; M63-I205 WeakPolarHBondContact O-CG2 3.37Å; V65-I205 HydrophobicContact CG2-CB 4.49Å; M68-I205 HydrophobicContact CE-CB 4.38Å; M68-I205 HydrophobicContact CE-CG2 4.06Å; L93-I205 HydrophobicContact CD1-CB 4.22Å; L93-I205 HydrophobicContact CD1-CD1 4.02Å; L93-I205 HydrophobicContact CD1-CG1 4.32Å; L93-I205 HydrophobicContact CD2-CD1 4.33Å; R96-I205 WeakPolarHBondContact CD-O 3.41Å; H201-I205 HydrophobicContact CB-CG2 4.35Å; H201-I205 PolarHBondContact O-N 2.97Å; I202-I205 HydrophobicContact CD1-CD1 3.89Å; I202-I205 HydrophobicContact CD1-CG1 4.15Å; I202-I205 WeakPolarHBondContact O-CG1 3.31Å; I205-R207 VanDerWaalsContact C-N 3.35Å
206L82Confident87.4Confident20 Ų2056 Ų5611%0.10531%0.306CS..THydrogen-bonded Turntrans-87.9-2.1172.8-67.6178.1000113.4R96 M130 P133 I137 I202 D204R96-L206 PolarHBondContact NH1-O 2.96Å; M130-L206 HydrophobicContact CB-CB 4.23Å; M130-L206 PolarHBondContact N-O 2.84Å; M130-L206 HydrophobicContact SD-CD2 4.48Å; P133-L206 HydrophobicContact CB-CD1 3.58Å; I137-L206 HydrophobicContact CD1-CD1 4.4Å; I202-L206 HydrophobicContact CD1-CD1 4.4Å; I202-L206 HydrophobicContact CG1-CD1 4.22Å; I202-L206 WeakPolarHBondContact O-CD1 3.12Å; I202-L206 WeakPolarHBondContact O-CG 3.43Å; I202-L206 PolarHBondContact O-N 3.36Å; D204-L206 PolarHBondContact O-N 2.89Å
207R80.6Confident87.2Confident112 Ų11254.3 Ų54.342%0.42330%0.301SS..  trans-81.4149.4165.9-63.2179.2-173.4174.74.9110.7R96 E129 S203 D204 I205R96-R207 PolarHBondContact NH1-O 2.9Å; E129-R207 HydrophobicContact CG-CG 4.4Å; S203-R207 WeakPolarHBondContact O-CG 3.36Å; D204-R207 WeakPolarHBondContact O-CB 3.4Å; D204-R207 PolarHBondContact O-N 3.01Å; I205-R207 VanDerWaalsContact C-N 3.35Å
208F73.3Confident87Confident19 Ų1955.7 Ų55.78%0.08331%0.307CS..  trans-128.976.7-179.8-163.6-117.4000109.2R96 L103 F125 P127 I210 L237R96-F208 HydrophobicContact CG-CD2 3.7Å; R96-F208 HydrophobicContact CG-CE2 4.07Å; L103-F208 HydrophobicContact CD1-CE1 4.24Å; L103-F208 HydrophobicContact CD1-CZ 3.87Å; F125-F208 HydrophobicContact CE2-CE2 4.43Å; F125-F208 HydrophobicContact CZ-CE2 4.06Å; F125-F208 HydrophobicContact CZ-CZ 4.04Å; P127-F208 HydrophobicContact CB-CD1 3.57Å; P127-F208 HydrophobicContact CB-CE1 3.35Å; P127-F208 HydrophobicContact CB-CZ 4.19Å; P127-F208 WeakPolarHBondContact O-CB 3.3Å; P127-F208 WeakPolarHBondContact O-CD1 3.24Å; F208-I210 HydrophobicContact CD1-CG1 3.58Å; F208-I210 HydrophobicContact CD2-CG1 4.34Å; F208-I210 HydrophobicContact CE1-CB 4.36Å; F208-I210 HydrophobicContact CE1-CD1 3.97Å; F208-I210 HydrophobicContact CE1-CG1 3.17Å; F208-I210 HydrophobicContact CE2-CD1 3.93Å; F208-I210 HydrophobicContact CE2-CG1 4Å; F208-I210 HydrophobicContact CG-CG1 4.17Å; F208-I210 HydrophobicContact CZ-CD1 3.63Å; F208-I210 HydrophobicContact CZ-CG1 3.41Å; F208-I210 VanDerWaalsContact CZ-CG1 3.41Å; F208-I210 PolarHBondContact O-N 3.37Å; F208-I210 VanDerWaalsContact O-N 3.14Å; F208-L237 HydrophobicContact CE1-CD1 3.9Å
209D77Confident87Confident109 Ų10957 Ų5758%0.58332%0.316SS*.  trans-8980.9-175-62.6-29.5000109.8
210I76.6Confident87.1Confident29 Ų2954 Ų5415%0.14930%0.3CS..PPolyproline II helixtrans-91.9131.8173.2-59.9-62.1000109.6F100 L103 F208 R214 L237F100-I210 HydrophobicContact CD2-CD1 3.41Å; F100-I210 VanDerWaalsContact CD2-CD1 3.41Å; F100-I210 HydrophobicContact CE2-CD1 3.81Å; F100-I210 HydrophobicContact CG-CD1 4.28Å; L103-I210 HydrophobicContact CB-CD1 4.28Å; L103-I210 HydrophobicContact CB-CG2 4.46Å; L103-I210 HydrophobicContact CD1-CD1 3.77Å; L103-I210 HydrophobicContact CD1-CG1 3.87Å; L103-I210 HydrophobicContact CD1-CG2 4.14Å; F208-I210 HydrophobicContact CD1-CG1 3.58Å; F208-I210 HydrophobicContact CD2-CG1 4.34Å; F208-I210 HydrophobicContact CE1-CB 4.36Å; F208-I210 HydrophobicContact CE1-CD1 3.97Å; F208-I210 HydrophobicContact CE1-CG1 3.17Å; F208-I210 HydrophobicContact CE2-CD1 3.93Å; F208-I210 HydrophobicContact CE2-CG1 4Å; F208-I210 HydrophobicContact CG-CG1 4.17Å; F208-I210 HydrophobicContact CZ-CD1 3.63Å; F208-I210 HydrophobicContact CZ-CG1 3.41Å; F208-I210 VanDerWaalsContact CZ-CG1 3.41Å; F208-I210 PolarHBondContact O-N 3.37Å; F208-I210 VanDerWaalsContact O-N 3.14Å; I210-R214 HydrophobicContact CG2-CB 3.75Å; I210-R214 HydrophobicContact CG2-CG 4.23Å; I210-L237 HydrophobicContact CG2-CD2 4.2Å
211E78Confident87.1Confident103 Ų10349.4 Ų49.448%0.48128%0.275SS..PPolyproline II helixtrans-53.6138.2174.1-68.4180165.200111.7G213 R214E211-G213 PolarHBondContact O-N 3Å; E211-R214 HydrophobicContact CB-CG 3.79Å; E211-R214 WeakPolarHBondContact O-CG 3.39Å; E211-R214 PolarHBondContact O-N 3.34Å; E211-R214 IonicContact OE2-CZ 3.45Å; E211-R214 VanDerWaalsContact OE2-CZ 3.22Å; E211-R214 IonicContact OE2-NE 2.77Å; E211-R214 PolarHBondContact OE2-NE 3.3Å; E211-R214 IonicContact OE2-NH2 2.74Å; E211-R214 PolarHBondContact OE2-NH2 3.41Å
212P77.8Confident87.2Confident129 Ų12947.5 Ų47.584%0.83827%0.266SS*.THydrogen-bonded Turntrans-54.3141.1174.7-26.234.8000112.4R214P212-R214 VanDerWaalsContact C-N 3.29Å; P212-R214 PolarHBondContact O-N 2.97Å
213G83Confident87.3Confident66 Ų6647 Ų4768%0.6826%0.263SS*.THydrogen-bonded Turntrans81-4.917800000115.8E211E211-G213 PolarHBondContact O-N 3Å
214R87.2Confident87Confident50 Ų5044.8 Ų44.819%0.18925%0.248CC..  trans-70.2137.2173.2-63.5-66.2-178.8-178.9-2111.5T107 I210 E211 P212 L237T107-R214 PolarHBondContact OG1-NH1 3.06Å; T107-R214 PolarHBondContact OG1-NH2 3.2Å; I210-R214 HydrophobicContact CG2-CB 3.75Å; I210-R214 HydrophobicContact CG2-CG 4.23Å; E211-R214 HydrophobicContact CB-CG 3.79Å; E211-R214 WeakPolarHBondContact O-CG 3.39Å; E211-R214 PolarHBondContact O-N 3.34Å; E211-R214 IonicContact OE2-CZ 3.45Å; E211-R214 VanDerWaalsContact OE2-CZ 3.22Å; E211-R214 IonicContact OE2-NE 2.77Å; E211-R214 PolarHBondContact OE2-NE 3.3Å; E211-R214 IonicContact OE2-NH2 2.74Å; E211-R214 PolarHBondContact OE2-NH2 3.41Å; P212-R214 VanDerWaalsContact C-N 3.29Å; P212-R214 PolarHBondContact O-N 2.97Å; R214-L237 WeakPolarHBondContact O-CD2 3.45Å
215T91.7Very high86.2Confident65 Ų6547 Ų4740%0.39926%0.257SS..  trans-146.8141.2-178-58.30000108.9L237 P239T215-L237 CarbonylContact C-O 3.56Å; T215-L237 WeakPolarHBondContact CA-O 3.4Å; T215-P239 HydrophobicContact CG2-CG 3.25Å
216F92.6Very high85.4Confident5 Ų548.8 Ų48.82%0.02226%0.264CS..  trans-109.795.4171.1177.8-108.4000108.9A102 L103 I117 L120 K218 T220 L237 F238 P239A102-F216 HydrophobicContact CB-CB 4.45Å; A102-F216 HydrophobicContact CB-CD1 4.18Å; A102-F216 HydrophobicContact CB-CD2 3.8Å; A102-F216 HydrophobicContact CB-CE1 4.35Å; A102-F216 HydrophobicContact CB-CE2 3.99Å; A102-F216 HydrophobicContact CB-CG 3.89Å; A102-F216 HydrophobicContact CB-CZ 4.25Å; A102-F216 VanDerWaalsContact O-CD2 3.31Å; A102-F216 WeakPolarHBondContact O-CD2 3.22Å; L103-F216 HydrophobicContact CD2-CB 3.96Å; I117-F216 HydrophobicContact CB-CE2 4.28Å; I117-F216 HydrophobicContact CB-CZ 4.15Å; I117-F216 HydrophobicContact CG2-CZ 4.07Å; L120-F216 HydrophobicContact CB-CD1 4.29Å; L120-F216 HydrophobicContact CB-CE1 3.64Å; L120-F216 HydrophobicContact CB-CZ 4.36Å; L120-F216 HydrophobicContact CD2-CD1 4.25Å; L120-F216 HydrophobicContact CD2-CE1 4.36Å; F216-K218 HydrophobicContact CD1-CB 4.16Å; F216-K218 HydrophobicContact CD2-CB 4.47Å; F216-K218 HydrophobicContact CE1-CB 3.58Å; F216-K218 HydrophobicContact CE2-CB 3.93Å; F216-K218 HydrophobicContact CE2-CD 3.73Å; F216-K218 HydrophobicContact CE2-CG 4.26Å; F216-K218 HydrophobicContact CZ-CB 3.46Å; F216-K218 VanDerWaalsContact CZ-CB 3.46Å; F216-K218 HydrophobicContact CZ-CD 3.85Å; F216-K218 HydrophobicContact CZ-CG 4.22Å; F216-K218 PolarHBondContact O-N 2.86Å; F216-T220 WeakPolarHBondContact CD1-OG1 3.38Å; F216-L237 PolarHBondContact N-O 3.17Å; F216-F238 HydrophobicContact CB-CD1 3.96Å; F216-F238 HydrophobicContact CB-CE1 4.17Å; F216-F238 HydrophobicContact CD1-CD1 4.09Å; F216-F238 HydrophobicContact CD1-CE1 4.47Å; F216-P239 WeakPolarHBondContact O-CD 3.16Å
217D92.9Very high84.9Confident104 Ų10455.3 Ų55.356%0.55629%0.287SS*.  trans-86.253.9-174.8-16921.7000113R240D217-R240 WeakPolarHBondContact OD1-CD 3.44Å; D217-R240 WeakPolarHBondContact OD1-CG 3.14Å
218K94.1Very high85Confident29 Ų2956.9 Ų56.913%0.12630%0.304CS..SBendtrans-137.4159.8179.5-76.1179.9-170.81620110.7N84 E115 I117 F216 T220N84-K218 WeakPolarHBondContact OD1-CE 3.24Å; N84-K218 PolarHBondContact OD1-NZ 3.4Å; E115-K218 WeakPolarHBondContact OE2-CE 3.38Å; E115-K218 IonicContact OE2-NZ 2.73Å; E115-K218 PolarHBondContact OE2-NZ 3.23Å; I117-K218 WeakPolarHBondContact O-CD 3.37Å; I117-K218 PolarHBondContact O-NZ 2.95Å; I117-K218 VanDerWaalsContact O-NZ 3.14Å; F216-K218 HydrophobicContact CD1-CB 4.16Å; F216-K218 HydrophobicContact CD2-CB 4.47Å; F216-K218 HydrophobicContact CE1-CB 3.58Å; F216-K218 HydrophobicContact CE2-CB 3.93Å; F216-K218 HydrophobicContact CE2-CD 3.73Å; F216-K218 HydrophobicContact CE2-CG 4.26Å; F216-K218 HydrophobicContact CZ-CB 3.46Å; F216-K218 VanDerWaalsContact CZ-CB 3.46Å; F216-K218 HydrophobicContact CZ-CD 3.85Å; F216-K218 HydrophobicContact CZ-CG 4.22Å; F216-K218 PolarHBondContact O-N 2.86Å; K218-T220 PolarHBondContact O-N 3.31Å; K218-T220 PolarHBondContact O-OG1 3.15Å
219P96.7Very high85.6Confident28 Ų2862.5 Ų62.518%0.18233%0.331CS..  trans-48.7119.8-179.1-27.334.7000111.2R119 L120 F268R119-P219 WeakPolarHBondContact CA-O 3.29Å; R119-P219 HydrophobicContact CG-CB 4.29Å; L120-P219 PolarHBondContact N-O 2.87Å; L120-P219 VanDerWaalsContact N-O 3.07Å; P219-F268 HydrophobicContact CB-CE2 4.1Å; P219-F268 HydrophobicContact CB-CZ 4.33Å
220T96.9Very high86.1Confident0 Ų058.2 Ų58.20%031%0.308CS..EExtended strand (participates in β ladder)trans-129.3128.6179.6-59.60000108.3L120 L122 F216 K218 I222 F238 R240 L241 E242L120-T220 HydrophobicContact CB-CG2 4.12Å; L120-T220 HydrophobicContact CD2-CG2 4.09Å; L120-T220 HydrophobicContact CG-CG2 4.3Å; L120-T220 CarbonylContact O-C 3.59Å; L120-T220 VanDerWaalsContact O-CA 3.26Å; L120-T220 WeakPolarHBondContact O-CA 3.44Å; L122-T220 HydrophobicContact CD1-CG2 4.49Å; F216-T220 WeakPolarHBondContact CD1-OG1 3.38Å; K218-T220 PolarHBondContact O-N 3.31Å; K218-T220 PolarHBondContact O-OG1 3.15Å; T220-I222 HydrophobicContact CG2-CG1 4.36Å; T220-F238 HydrophobicContact CG2-CB 3.96Å; T220-F238 HydrophobicContact CG2-CD1 4.01Å; T220-F238 HydrophobicContact CG2-CD2 4.35Å; T220-F238 HydrophobicContact CG2-CG 3.85Å; T220-R240 PolarHBondContact N-O 3.03Å; T220-R240 VanDerWaalsContact N-O 3.15Å; T220-L241 HydrophobicContact CG2-CD1 4.18Å; T220-L241 CarbonylContact O-C 3.54Å; T220-L241 WeakPolarHBondContact O-CA 3.42Å; T220-E242 PolarHBondContact O-N 2.87Å
221C97Very high86.8Confident1 Ų158.9 Ų58.91%0.00731%0.312CS..EExtended strand (participates in β ladder)trans-117.4137170.7178.80000109.4L120 L121 L122 E242 F268L120-C221 PolarHBondContact O-N 3.35Å; L121-C221 CarbonylContact C-O 3.6Å; L121-C221 WeakPolarHBondContact CA-O 3.22Å; L121-C221 HydrophobicContact CD1-CB 3.78Å; L122-C221 PolarHBondContact N-O 3.12Å; C221-E242 CarbonylContact C-O 3.59Å; C221-E242 VanDerWaalsContact CA-O 3.29Å; C221-E242 WeakPolarHBondContact CA-O 3.22Å; C221-E242 HydrophobicContact CB-CB 4.46Å; C221-F268 HydrophobicContact CB-CB 4.37Å; C221-F268 HydrophobicContact CB-CD1 3.92Å; C221-F268 HydrophobicContact CB-CD2 3.42Å; C221-F268 VanDerWaalsContact CB-CD2 3.42Å; C221-F268 HydrophobicContact CB-CE1 4.01Å; C221-F268 HydrophobicContact CB-CE2 3.52Å; C221-F268 HydrophobicContact CB-CG 3.63Å; C221-F268 HydrophobicContact CB-CZ 3.81Å
222I95.5Very high87.4Confident0 Ų058.2 Ų58.20%032%0.316CS..EExtended strand (participates in β ladder)trans-118.3123.8171.2-52-179.1000108.7L122 T220 C224 F226 C234 F238 L241 E242 Q244L122-I222 HydrophobicContact CB-CG1 4.02Å; L122-I222 HydrophobicContact CB-CG2 4.2Å; L122-I222 HydrophobicContact CD1-CD1 3.93Å; L122-I222 HydrophobicContact CD1-CG1 3.99Å; L122-I222 HydrophobicContact CG-CG1 4.34Å; L122-I222 CarbonylContact O-C 3.6Å; L122-I222 WeakPolarHBondContact O-CA 3.46Å; T220-I222 HydrophobicContact CG2-CG1 4.36Å; I222-C224 HydrophobicContact CG2-CB 4.01Å; I222-C224 WeakPolarHBondContact CG2-SG 3.2Å; I222-F226 HydrophobicContact CB-CE2 3.83Å; I222-F226 HydrophobicContact CB-CZ 4.07Å; I222-F226 HydrophobicContact CD1-CE2 3.89Å; I222-F226 HydrophobicContact CD1-CZ 3.54Å; I222-F226 HydrophobicContact CG1-CE2 4.42Å; I222-F226 HydrophobicContact CG1-CZ 4.37Å; I222-F226 HydrophobicContact CG2-CE2 3.65Å; I222-F226 HydrophobicContact CG2-CZ 3.55Å; I222-C234 HydrophobicContact CD1-CB 4.44Å; I222-F238 HydrophobicContact CD1-CD2 4.43Å; I222-L241 HydrophobicContact CB-CD1 4.14Å; I222-L241 HydrophobicContact CD1-CD1 3.53Å; I222-L241 HydrophobicContact CD1-CD2 4.42Å; I222-L241 HydrophobicContact CG1-CD1 3.43Å; I222-L241 VanDerWaalsContact CG1-CD1 3.43Å; I222-E242 PolarHBondContact N-O 2.88Å; I222-Q244 PolarHBondContact O-N 3.26Å
223I94.4Very high88Confident1 Ų154.7 Ų54.71%0.00529%0.29CS..EExtended strand (participates in β ladder)trans-102.199171.6-52.9173.5000107.4L121 L122 D124 Q244 V246 V253 F261 I264L121-I223 HydrophobicContact CD1-CD1 3.86Å; L121-I223 HydrophobicContact CD1-CG1 3.94Å; L122-I223 PolarHBondContact O-N 2.81Å; D124-I223 PolarHBondContact N-O 3.41Å; I223-Q244 WeakPolarHBondContact CA-O 3.38Å; I223-Q244 HydrophobicContact CG1-CB 4.25Å; I223-V246 HydrophobicContact CG2-CG2 3.79Å; I223-V253 HydrophobicContact CG2-CG1 3.94Å; I223-F261 HydrophobicContact CD1-CD2 3.82Å; I223-F261 HydrophobicContact CD1-CE2 3.73Å; I223-I264 HydrophobicContact CD1-CB 4.09Å; I223-I264 HydrophobicContact CD1-CG2 3.63Å; I223-I264 HydrophobicContact CG1-CG2 3.87Å
224C83.6Confident88.5Confident6 Ų651.6 Ų51.64%0.04126%0.258CS..SBendtrans-158.5171.6-179.767.70000111.4I222 F226 Q244 T245I222-C224 HydrophobicContact CG2-CB 4.01Å; I222-C224 WeakPolarHBondContact CG2-SG 3.2Å; C224-F226 VanDerWaalsContact SG-CD1 3.55Å; C224-F226 WeakPolarHBondContact SG-CD2 3.34Å; C224-F226 WeakPolarHBondContact SG-CE2 3.17Å; C224-F226 WeakPolarHBondContact SG-CG 3.48Å; C224-F226 WeakPolarHBondContact SG-CZ 3.34Å; C224-Q244 PolarHBondContact N-O 3.29Å; C224-Q244 VanDerWaalsContact N-O 3.16Å; C224-T245 WeakPolarHBondContact O-CG2 3.46Å
225Q71.8Confident88.8Confident110 Ų11054.9 Ų54.951%0.51427%0.27SS..  trans-98.675.7165.9-62.8-71.6-10.300108V246Q225-V246 PolarHBondContact NE2-O 3.25Å
226F70.5Confident88.9Confident38 Ų3857.5 Ų57.517%0.16727%0.273CS..  trans-58.8147.2180-87.1-50.8000111.9F125 I222 C224 D230 C234 V243F125-F226 WeakPolarHBondContact O-CE1 3.47Å; I222-F226 HydrophobicContact CB-CE2 3.83Å; I222-F226 HydrophobicContact CB-CZ 4.07Å; I222-F226 HydrophobicContact CD1-CE2 3.89Å; I222-F226 HydrophobicContact CD1-CZ 3.54Å; I222-F226 HydrophobicContact CG1-CE2 4.42Å; I222-F226 HydrophobicContact CG1-CZ 4.37Å; I222-F226 HydrophobicContact CG2-CE2 3.65Å; I222-F226 HydrophobicContact CG2-CZ 3.55Å; C224-F226 VanDerWaalsContact SG-CD1 3.55Å; C224-F226 WeakPolarHBondContact SG-CD2 3.34Å; C224-F226 WeakPolarHBondContact SG-CE2 3.17Å; C224-F226 WeakPolarHBondContact SG-CG 3.48Å; C224-F226 WeakPolarHBondContact SG-CZ 3.34Å; F226-D230 HydrophobicContact CD1-CB 4.04Å; F226-D230 HydrophobicContact CE1-CB 4.43Å; F226-C234 HydrophobicContact CZ-CB 4.44Å; F226-C234 WeakPolarHBondContact CZ-SG 3.42Å; F226-V243 HydrophobicContact CD2-CG1 3.86Å; F226-V243 HydrophobicContact CD2-CG2 4.25Å; F226-V243 HydrophobicContact CE2-CG1 4.3Å; F226-V243 HydrophobicContact CE2-CG2 4.16Å
227R72.8Confident88.9Confident157 Ų15757.3 Ų57.359%0.59227%0.272SS*.  trans-75.5135151.7-59.4-177.2-172-171.33.7107.3E229 D230R227-E229 PolarHBondContact O-N 3.21Å; R227-D230 PolarHBondContact O-N 2.88Å
228D81.3Confident88.9Confident146 Ų14652.3 Ų52.378%0.78125%0.245SC*.G310 helixtrans-53.2-29.1179.2-68.2-30.9000112.6D230 L231 P232D228-D230 VanDerWaalsContact C-N 3.29Å; D228-D230 PolarHBondContact O-N 3.11Å; D228-L231 WeakPolarHBondContact O-CB 3.48Å; D228-L231 PolarHBondContact O-N 3.19Å; D228-P232 WeakPolarHBondContact O-CD 3.49Å
229E86.5Confident89Confident137 Ų13754.1 Ų54.164%0.6426%0.26SS*.G310 helixtrans-60.1-29.7175.8-58.3167.6-126.300114.5R128 R227 P232R128-E229 IonicContact NH1-OE2 3.15Å; R227-E229 PolarHBondContact O-N 3.21Å; E229-P232 WeakPolarHBondContact O-CD 3.33Å
230D87.8Confident89Confident18 Ų1859.5 Ų59.510%0.09628%0.277CS..G310 helixtrans-85.4-19.2-175.5-68.2-6.3000111.7S126 R128 F226 R227 D228 L233 C234S126-D230 WeakPolarHBondContact CB-OD2 3.41Å; S126-D230 VanDerWaalsContact OG-CG 3.27Å; S126-D230 PolarHBondContact OG-OD2 2.89Å; R128-D230 VanDerWaalsContact CD-OD1 3.29Å; R128-D230 WeakPolarHBondContact CD-OD1 3.19Å; R128-D230 IonicContact NH1-OD1 3.52Å; F226-D230 HydrophobicContact CD1-CB 4.04Å; F226-D230 HydrophobicContact CE1-CB 4.43Å; R227-D230 PolarHBondContact O-N 2.88Å; D228-D230 VanDerWaalsContact C-N 3.29Å; D228-D230 PolarHBondContact O-N 3.11Å; D230-L233 PolarHBondContact O-N 2.87Å; D230-C234 PolarHBondContact O-N 3.38Å; D230-C234 VanDerWaalsContact O-N 3.07Å; D230-C234 PolarHBondContact O-SG 2.93Å
231L90.3Very high88.9Confident44 Ų4460.1 Ų60.123%0.2328%0.28CS..Hα-helixtrans-62.9-40.8-173.9-173.560.9000113.7D228 L233 C234 R235 L241 V243D228-L231 WeakPolarHBondContact O-CB 3.48Å; D228-L231 PolarHBondContact O-N 3.19Å; L231-L233 VanDerWaalsContact C-N 3.32Å; L231-L233 PolarHBondContact O-N 3.35Å; L231-C234 PolarHBondContact O-N 2.82Å; L231-R235 HydrophobicContact CD1-CG 4.16Å; L231-R235 HydrophobicContact CG-CG 4.34Å; L231-R235 WeakPolarHBondContact O-CG 3.38Å; L231-R235 PolarHBondContact O-N 3.22Å; L231-L241 HydrophobicContact CD1-CD2 3.95Å; L231-V243 HydrophobicContact CD1-CG2 3.79Å
232P91.9Very high88.9Confident89 Ų8963.4 Ų63.458%0.57830%0.295SS*.Hα-helixtrans-57.9-42175.1-26.235.8000113.1D228 E229 R235 R236D228-P232 WeakPolarHBondContact O-CD 3.49Å; E229-P232 WeakPolarHBondContact O-CD 3.33Å; P232-R235 PolarHBondContact O-N 3.46Å; P232-R236 WeakPolarHBondContact O-CB 3.3Å; P232-R236 PolarHBondContact O-N 3.37Å
233L90.6Very high88.8Confident55 Ų5565.9 Ų65.929%0.28831%0.31SS..Hα-helixtrans-65.6-43.7176.6176.258.7000111P127 D230 L231 R235 R236 L237P127-L233 HydrophobicContact CB-CD2 4.18Å; P127-L233 HydrophobicContact CB-CG 4.37Å; P127-L233 HydrophobicContact CG-CD2 3.91Å; P127-L233 HydrophobicContact CG-CG 3.86Å; D230-L233 PolarHBondContact O-N 2.87Å; L231-L233 VanDerWaalsContact C-N 3.32Å; L231-L233 PolarHBondContact O-N 3.35Å; L233-R235 PolarHBondContact O-N 2.76Å; L233-R236 PolarHBondContact O-N 3.21Å; L233-L237 HydrophobicContact CD1-CD1 4Å; L233-L237 HydrophobicContact CD1-CG 4.21Å; L233-L237 HydrophobicContact CG-CD1 4.18Å; L233-L237 WeakPolarHBondContact O-CG 2.99Å; L233-L237 PolarHBondContact O-N 3.21Å; L233-L237 VanDerWaalsContact O-N 3.1Å
234C92.4Very high88.9Confident0 Ų069.5 Ų69.50%033%0.327CS..Hα-helixtrans-60.2-45.7176.7-62.70000111.7P127 I222 F226 D230 L231 R236 L237 F238 L241P127-C234 WeakPolarHBondContact CD-SG 3.47Å; P127-C234 VanDerWaalsContact CG-SG 3.54Å; I222-C234 HydrophobicContact CD1-CB 4.44Å; F226-C234 HydrophobicContact CZ-CB 4.44Å; F226-C234 WeakPolarHBondContact CZ-SG 3.42Å; D230-C234 PolarHBondContact O-N 3.38Å; D230-C234 VanDerWaalsContact O-N 3.07Å; D230-C234 PolarHBondContact O-SG 2.93Å; L231-C234 PolarHBondContact O-N 2.82Å; C234-R236 VanDerWaalsContact C-N 3.33Å; C234-R236 PolarHBondContact O-N 2.9Å; C234-L237 PolarHBondContact O-N 3.38Å; C234-F238 WeakPolarHBondContact O-CA 3.28Å; C234-F238 WeakPolarHBondContact O-CB 3.29Å; C234-F238 VanDerWaalsContact O-CD2 3.31Å; C234-F238 WeakPolarHBondContact O-CD2 3.35Å; C234-F238 PolarHBondContact O-N 3.23Å; C234-L241 HydrophobicContact CB-CD2 3.57Å
235R93.7Very high89.3Confident119 Ų11972.7 Ų72.745%0.44935%0.346SS..Hα-helixtrans-67.6-31.5179.5-70.2-172.2-175.3-67.6-1113.2L231 P232 L233 F238 P239 L241L231-R235 HydrophobicContact CD1-CG 4.16Å; L231-R235 HydrophobicContact CG-CG 4.34Å; L231-R235 WeakPolarHBondContact O-CG 3.38Å; L231-R235 PolarHBondContact O-N 3.22Å; P232-R235 PolarHBondContact O-N 3.46Å; L233-R235 PolarHBondContact O-N 2.76Å; R235-F238 CarbonylContact O-C 3.43Å; R235-P239 WeakPolarHBondContact O-CA 3.18Å; R235-L241 HydrophobicContact CG-CD2 3.99Å; R235-L241 PolarHBondContact NH1-O 2.99Å
236R92.8Very high90.3Very high120 Ų12067.6 Ų67.645%0.45332%0.323SS..Hα-helixtrans-64.7-45.4172.8-177.1-174.466.185.9-4.8111.4P232 L233 C234P232-R236 WeakPolarHBondContact O-CB 3.3Å; P232-R236 PolarHBondContact O-N 3.37Å; L233-R236 PolarHBondContact O-N 3.21Å; C234-R236 VanDerWaalsContact C-N 3.33Å; C234-R236 PolarHBondContact O-N 2.9Å
237L92.9Very high91.2Very high1 Ų172.8 Ų72.81%0.00535%0.348CS..Hα-helixtrans-75.8-33-179.3-66.5174.1000112.5L103 P127 F208 I210 R214 T215 F216 L233 C234L103-L237 HydrophobicContact CD1-CD1 4.35Å; L103-L237 HydrophobicContact CD1-CD2 4.2Å; L103-L237 HydrophobicContact CD2-CB 4.19Å; L103-L237 HydrophobicContact CD2-CD2 4.14Å; P127-L237 HydrophobicContact CB-CD1 3.63Å; P127-L237 HydrophobicContact CG-CD1 4.02Å; F208-L237 HydrophobicContact CE1-CD1 3.9Å; I210-L237 HydrophobicContact CG2-CD2 4.2Å; R214-L237 WeakPolarHBondContact O-CD2 3.45Å; T215-L237 CarbonylContact C-O 3.56Å; T215-L237 WeakPolarHBondContact CA-O 3.4Å; F216-L237 PolarHBondContact N-O 3.17Å; L233-L237 HydrophobicContact CD1-CD1 4Å; L233-L237 HydrophobicContact CD1-CG 4.21Å; L233-L237 HydrophobicContact CG-CD1 4.18Å; L233-L237 WeakPolarHBondContact O-CG 2.99Å; L233-L237 PolarHBondContact O-N 3.21Å; L233-L237 VanDerWaalsContact O-N 3.1Å; C234-L237 PolarHBondContact O-N 3.38Å
238F94.3Very high92Very high0 Ų075 Ų750%036%0.362CS..  trans-130.384.3-174.8-48.2-66.4000109.7L103 L120 L122 F216 T220 I222 C234 R235 R240 L241L103-F238 HydrophobicContact CD1-CE1 4.31Å; L103-F238 HydrophobicContact CD1-CZ 4.13Å; L103-F238 HydrophobicContact CD2-CE1 4.17Å; L103-F238 HydrophobicContact CG-CE1 4.16Å; L103-F238 HydrophobicContact CG-CZ 4.48Å; L120-F238 HydrophobicContact CD2-CD1 4.11Å; L120-F238 HydrophobicContact CD2-CE1 3.53Å; L120-F238 HydrophobicContact CD2-CZ 4.05Å; L122-F238 HydrophobicContact CD1-CE2 4.04Å; L122-F238 HydrophobicContact CD1-CZ 4.05Å; F216-F238 HydrophobicContact CB-CD1 3.96Å; F216-F238 HydrophobicContact CB-CE1 4.17Å; F216-F238 HydrophobicContact CD1-CD1 4.09Å; F216-F238 HydrophobicContact CD1-CE1 4.47Å; T220-F238 HydrophobicContact CG2-CB 3.96Å; T220-F238 HydrophobicContact CG2-CD1 4.01Å; T220-F238 HydrophobicContact CG2-CD2 4.35Å; T220-F238 HydrophobicContact CG2-CG 3.85Å; I222-F238 HydrophobicContact CD1-CD2 4.43Å; C234-F238 WeakPolarHBondContact O-CA 3.28Å; C234-F238 WeakPolarHBondContact O-CB 3.29Å; C234-F238 VanDerWaalsContact O-CD2 3.31Å; C234-F238 WeakPolarHBondContact O-CD2 3.35Å; C234-F238 PolarHBondContact O-N 3.23Å; R235-F238 CarbonylContact O-C 3.43Å; F238-R240 PolarHBondContact O-N 3.36Å; F238-L241 HydrophobicContact CB-CB 4.12Å; F238-L241 WeakPolarHBondContact O-CB 3.31Å; F238-L241 PolarHBondContact O-N 2.67Å
239P95.8Very high92.4Very high66 Ų6669.3 Ų69.343%0.42933%0.332SS..THydrogen-bonded Turntrans-63.3-29.8-175-25.135.8000113.2T215 F216 R235 L241T215-P239 HydrophobicContact CG2-CG 3.25Å; F216-P239 WeakPolarHBondContact O-CD 3.16Å; R235-P239 WeakPolarHBondContact O-CA 3.18Å; P239-L241 VanDerWaalsContact C-N 3.29Å; P239-L241 PolarHBondContact O-N 3.3Å
240R96.4Very high92.4Very high142 Ų14264.6 Ų64.654%0.53632%0.32SS..THydrogen-bonded Turntrans-95.940.8177.9-57.5-178.869.3179.73.3111.9D217 T220 F238D217-R240 WeakPolarHBondContact OD1-CD 3.44Å; D217-R240 WeakPolarHBondContact OD1-CG 3.14Å; T220-R240 PolarHBondContact N-O 3.03Å; T220-R240 VanDerWaalsContact N-O 3.15Å; F238-R240 PolarHBondContact O-N 3.36Å
241L95.6Very high92.5Very high13 Ų1366.9 Ų66.97%0.06833%0.33CS..EExtended strand (participates in β ladder)trans-80.6124.4-177.4172.864.6000113.2T220 I222 L231 C234 R235 F238 P239 V243T220-L241 HydrophobicContact CG2-CD1 4.18Å; T220-L241 CarbonylContact O-C 3.54Å; T220-L241 WeakPolarHBondContact O-CA 3.42Å; I222-L241 HydrophobicContact CB-CD1 4.14Å; I222-L241 HydrophobicContact CD1-CD1 3.53Å; I222-L241 HydrophobicContact CD1-CD2 4.42Å; I222-L241 HydrophobicContact CG1-CD1 3.43Å; I222-L241 VanDerWaalsContact CG1-CD1 3.43Å; L231-L241 HydrophobicContact CD1-CD2 3.95Å; C234-L241 HydrophobicContact CB-CD2 3.57Å; R235-L241 HydrophobicContact CG-CD2 3.99Å; R235-L241 PolarHBondContact NH1-O 2.99Å; F238-L241 HydrophobicContact CB-CB 4.12Å; F238-L241 WeakPolarHBondContact O-CB 3.31Å; F238-L241 PolarHBondContact O-N 2.67Å; P239-L241 VanDerWaalsContact C-N 3.29Å; P239-L241 PolarHBondContact O-N 3.3Å; L241-V243 HydrophobicContact CD1-CG2 4.26Å; L241-V243 HydrophobicContact CD2-CG2 4Å; L241-V243 HydrophobicContact CG-CG2 3.96Å
242E95.6Very high92.5Very high70 Ų7066.6 Ų66.633%0.32733%0.326SS..EExtended strand (participates in β ladder)trans-102.7131.8162.3-64.1175.7-166.500110T220 C221 I222 K271T220-E242 PolarHBondContact O-N 2.87Å; C221-E242 CarbonylContact C-O 3.59Å; C221-E242 VanDerWaalsContact CA-O 3.29Å; C221-E242 WeakPolarHBondContact CA-O 3.22Å; C221-E242 HydrophobicContact CB-CB 4.46Å; I222-E242 PolarHBondContact N-O 2.88Å; E242-K271 IonicContact OE1-NZ 2.65Å; E242-K271 PolarHBondContact OE1-NZ 3.23Å; E242-K271 IonicContact OE2-NZ 2.67Å; E242-K271 PolarHBondContact OE2-NZ 3.19Å
243V94.4Very high92.5Very high52 Ų5262.6 Ų62.632%0.31530%0.3SS..EExtended strand (participates in β ladder)trans-108.1131.2175.3-178.50000108.7F226 L231 L241F226-V243 HydrophobicContact CD2-CG1 3.86Å; F226-V243 HydrophobicContact CD2-CG2 4.25Å; F226-V243 HydrophobicContact CE2-CG1 4.3Å; F226-V243 HydrophobicContact CE2-CG2 4.16Å; L231-V243 HydrophobicContact CD1-CG2 3.79Å; L241-V243 HydrophobicContact CD1-CG2 4.26Å; L241-V243 HydrophobicContact CD2-CG2 4Å; L241-V243 HydrophobicContact CG-CG2 3.96Å
244Q95Very high92.5Very high76 Ų7660.6 Ų60.636%0.35529%0.289SS..EExtended strand (participates in β ladder)trans-127.3144.7178-66.5-70.7-23.100108.8I222 I223 C224 I264I222-Q244 PolarHBondContact O-N 3.26Å; I223-Q244 WeakPolarHBondContact CA-O 3.38Å; I223-Q244 HydrophobicContact CG1-CB 4.25Å; C224-Q244 PolarHBondContact N-O 3.29Å; C224-Q244 VanDerWaalsContact N-O 3.16Å; Q244-I264 HydrophobicContact CB-CD1 4.28Å; Q244-I264 HydrophobicContact CB-CG2 3.89Å; Q244-I264 HydrophobicContact CG-CG2 3.72Å
245T92.7Very high92.5Very high73 Ų7363.8 Ų63.845%0.44832%0.315SS..  trans-119.8149.5176.458.10000109.6C224C224-T245 WeakPolarHBondContact O-CG2 3.46Å
246V92.7Very high92.4Very high4 Ų462.1 Ų62.12%0.02431%0.313CS..  trans-120.3121169.41800000106.3I223 Q225 V249 V253 N257 K260 I264I223-V246 HydrophobicContact CG2-CG2 3.79Å; Q225-V246 PolarHBondContact NE2-O 3.25Å; V246-V249 HydrophobicContact CB-CG2 3.86Å; V246-V249 HydrophobicContact CG1-CB 4.5Å; V246-V249 HydrophobicContact CG1-CG1 3.74Å; V246-V249 HydrophobicContact CG1-CG2 3.87Å; V246-V249 WeakPolarHBondContact O-CG2 3.4Å; V246-V253 HydrophobicContact CB-CG1 3.94Å; V246-V253 HydrophobicContact CG1-CG1 4.33Å; V246-V253 HydrophobicContact CG2-CG1 3.73Å; V246-N257 HydrophobicContact CG1-CB 3.81Å; V246-K260 HydrophobicContact CG1-CB 4.24Å; V246-K260 HydrophobicContact CG1-CG 4.12Å; V246-K260 HydrophobicContact CG2-CG 4.04Å; V246-I264 HydrophobicContact CG2-CD1 3.71Å
247E90.7Very high92.5Very high147 Ų14759 Ų5969%0.68731%0.305SS*.THydrogen-bonded Turntrans-73.2149-178.8-64.6-176.3-176.500111.3V249E247-V249 VanDerWaalsContact C-N 3.32Å; E247-V249 PolarHBondContact O-N 3.03Å
248K89Confident92.6Very high204 Ų20462 Ų6289%0.88733%0.325SS*.THydrogen-bonded Turntrans58.238.3170.9-53.7175.9-175.1175.90114
249V89.1Confident92.8Very high25 Ų2565.5 Ų65.515%0.15235%0.353CS..  trans-125.7150.5171-61.80000109.7V246 E247 V253 E256 N257V246-V249 HydrophobicContact CB-CG2 3.86Å; V246-V249 HydrophobicContact CG1-CB 4.5Å; V246-V249 HydrophobicContact CG1-CG1 3.74Å; V246-V249 HydrophobicContact CG1-CG2 3.87Å; V246-V249 WeakPolarHBondContact O-CG2 3.4Å; E247-V249 VanDerWaalsContact C-N 3.32Å; E247-V249 PolarHBondContact O-N 3.03Å; V249-V253 HydrophobicContact CG2-CB 4.41Å; V249-V253 HydrophobicContact CG2-CG1 4.25Å; V249-V253 HydrophobicContact CG2-CG2 3.99Å; V249-E256 HydrophobicContact CB-CB 4Å; V249-E256 HydrophobicContact CG1-CB 3.75Å; V249-N257 HydrophobicContact CG1-CB 3.54Å
250G87.2Confident92.8Very high39 Ų3966.2 Ų66.240%0.40235%0.35SS..  trans-90.3-139.2166.100000112.3W252 E256G250-W252 PolarHBondContact O-N 3.37Å; G250-E256 VanDerWaalsContact CA-OE2 3.25Å; G250-E256 WeakPolarHBondContact CA-OE2 3.35Å; G250-E256 PolarHBondContact N-OE1 2.76Å; G250-E256 PolarHBondContact N-OE2 2.96Å
251H89.1Confident92.9Very high65 Ų6559.5 Ų59.530%0.30132%0.324SS..SBendtrans-69.3-31.2-171.1-172.358.6000113.9H91 S92 D124 V253 E256H91-H251 AromaticContact CE1-CD2 3.82Å; H91-H251 AromaticContact CE1-NE2 3.56Å; H91-H251 AromaticContact NE2-CD2 3.82Å; H91-H251 AromaticContact NE2-CE1 3.81Å; H91-H251 AromaticContact NE2-NE2 3.57Å; H91-H251 PolarHBondContact NE2-O 3.47Å; S92-H251 WeakPolarHBondContact CB-CE1 3.45Å; S92-H251 WeakPolarHBondContact CB-NE2 3.32Å; S92-H251 PolarHBondContact OG-CE1 3.35Å; S92-H251 PolarHBondContact OG-NE2 3.46Å; D124-H251 WeakPolarHBondContact OD2-CA 3.34Å; D124-H251 IonicContact OD2-CE1 3.62Å; D124-H251 PolarHBondContact OD2-CE1 3.49Å; D124-H251 IonicContact OD2-CG 3.26Å; D124-H251 IonicContact OD2-ND1 3.53Å; D124-H251 PolarHBondContact OD2-ND1 2.92Å; H251-V253 PolarHBondContact O-N 2.9Å; H251-E256 PolarHBondContact N-OE2 3.26Å
252W90.6Very high93Very high39 Ų3960.1 Ų60.115%0.14833%0.328CS..  trans-99.857.9-175-60.8-81.3000110.5H91 D172 V173 F176 G250 H254 A255 E256H91-W252 AromaticContact CE1-CD1 3.82Å; D172-W252 HydrophobicContact CB-CZ3 4.37Å; V173-W252 HydrophobicContact CB-CH2 3.94Å; V173-W252 HydrophobicContact CG1-CH2 4.26Å; V173-W252 HydrophobicContact CG2-CH2 3.49Å; V173-W252 VanDerWaalsContact CG2-CH2 3.49Å; V173-W252 HydrophobicContact CG2-CZ3 3.97Å; F176-W252 HydrophobicContact CB-CH2 4.44Å; F176-W252 HydrophobicContact CB-CZ2 3.96Å; F176-W252 AromaticContact CD1-CE2 3.84Å; F176-W252 AromaticContact CD1-CZ2 3.51Å; F176-W252 HydrophobicContact CD1-CZ2 3.51Å; F176-W252 AromaticContact CD1-NE1 3.72Å; F176-W252 HydrophobicContact CD2-CZ2 4.47Å; F176-W252 AromaticContact CD2-NE1 3.54Å; F176-W252 HydrophobicContact CE1-CZ2 4.1Å; F176-W252 AromaticContact CE1-NE1 3.66Å; F176-W252 AromaticContact CE2-NE1 3.5Å; F176-W252 AromaticContact CG-CE2 3.76Å; F176-W252 AromaticContact CG-CZ2 3.71Å; F176-W252 HydrophobicContact CG-CZ2 3.71Å; F176-W252 AromaticContact CG-NE1 3.64Å; F176-W252 AromaticContact CZ-NE1 3.56Å; G250-W252 PolarHBondContact O-N 3.37Å; W252-H254 PolarHBondContact O-N 3.46Å; W252-A255 HydrophobicContact CB-CB 4.04Å; W252-A255 WeakPolarHBondContact O-CA 3.38Å; W252-A255 PolarHBondContact O-N 3.28Å; W252-E256 HydrophobicContact CB-CG 4.41Å; W252-E256 PolarHBondContact N-OE2 3.41Å; W252-E256 PolarHBondContact O-N 2.95Å
253V91.2Very high93.1Very high4 Ų461.2 Ų61.22%0.02433%0.333CS..Hα-helixtrans-42.4-44.3-179.3-177.90000113.1V123 D124 I223 V246 V249 H251 A255 N257 F261V123-V253 HydrophobicContact CG1-CB 4.12Å; V123-V253 HydrophobicContact CG1-CG2 4.38Å; D124-V253 HydrophobicContact CB-CG2 4.43Å; I223-V253 HydrophobicContact CG2-CG1 3.94Å; V246-V253 HydrophobicContact CB-CG1 3.94Å; V246-V253 HydrophobicContact CG1-CG1 4.33Å; V246-V253 HydrophobicContact CG2-CG1 3.73Å; V249-V253 HydrophobicContact CG2-CB 4.41Å; V249-V253 HydrophobicContact CG2-CG1 4.25Å; V249-V253 HydrophobicContact CG2-CG2 3.99Å; H251-V253 PolarHBondContact O-N 2.9Å; V253-A255 VanDerWaalsContact C-N 3.32Å; V253-A255 PolarHBondContact O-N 3.48Å; V253-N257 CarbonylContact O-C 3.49Å; V253-N257 PolarHBondContact O-N 3.24Å; V253-F261 HydrophobicContact CG1-CB 4.44Å; V253-F261 HydrophobicContact CG1-CD2 3.98Å
254H91Very high93.2Very high14 Ų1459.1 Ų59.17%0.06532%0.32CS..Hα-helixtrans-69.2-23.4-179.162.8-78.4000114.5W31 M34 H91 W252 P258 F261W31-H254 AromaticContact CE2-CD2 4Å; W31-H254 AromaticContact CE2-NE2 3.84Å; W31-H254 HydrophobicContact CH2-CB 3.79Å; W31-H254 AromaticContact CH2-CD2 3.94Å; W31-H254 AromaticContact CH2-CG 3.54Å; W31-H254 AromaticContact CH2-ND1 3.71Å; W31-H254 HydrophobicContact CZ2-CB 4.46Å; W31-H254 AromaticContact CZ2-CD2 3.79Å; W31-H254 AromaticContact CZ2-CE1 3.58Å; W31-H254 AromaticContact CZ2-CG 3.72Å; W31-H254 AromaticContact CZ2-ND1 3.58Å; W31-H254 AromaticContact CZ2-NE2 3.72Å; W31-H254 HydrophobicContact CZ3-CB 3.98Å; M34-H254 HydrophobicContact CE-CB 4.41Å; M34-H254 WeakPolarHBondContact CE-O 3.22Å; H91-H254 AromaticContact CE1-CE1 3.98Å; H91-H254 AromaticContact ND1-CE1 3.84Å; W252-H254 PolarHBondContact O-N 3.46Å; H254-P258 WeakPolarHBondContact O-CA 3.45Å; H254-P258 WeakPolarHBondContact O-CB 3.3Å; H254-F261 HydrophobicContact CB-CD1 3.83Å; H254-F261 HydrophobicContact CB-CD2 4.08Å; H254-F261 HydrophobicContact CB-CE1 3.94Å; H254-F261 HydrophobicContact CB-CE2 4.18Å; H254-F261 HydrophobicContact CB-CG 3.9Å; H254-F261 HydrophobicContact CB-CZ 4.11Å
255A91.7Very high93.4Very high66 Ų6655.5 Ų55.555%0.54530%0.303SS..Hα-helixtrans-98.8-35.8177.300000112.4W252 V253W252-A255 HydrophobicContact CB-CB 4.04Å; W252-A255 WeakPolarHBondContact O-CA 3.38Å; W252-A255 PolarHBondContact O-N 3.28Å; V253-A255 VanDerWaalsContact C-N 3.32Å; V253-A255 PolarHBondContact O-N 3.48Å
256E92.2Very high93.6Very high85 Ų8552.4 Ų52.440%0.39728%0.284SS..Hα-helixtrans-78.4-34-177.4-66.8176.783.200112.5V249 G250 H251 W252V249-E256 HydrophobicContact CB-CB 4Å; V249-E256 HydrophobicContact CG1-CB 3.75Å; G250-E256 VanDerWaalsContact CA-OE2 3.25Å; G250-E256 WeakPolarHBondContact CA-OE2 3.35Å; G250-E256 PolarHBondContact N-OE1 2.76Å; G250-E256 PolarHBondContact N-OE2 2.96Å; H251-E256 PolarHBondContact N-OE2 3.26Å; W252-E256 HydrophobicContact CB-CG 4.41Å; W252-E256 PolarHBondContact N-OE2 3.41Å; W252-E256 PolarHBondContact O-N 2.95Å
257N95Very high93.9Very high54 Ų5456.9 Ų56.929%0.28931%0.308SS..SBendtrans-138.471.8171.7-167.1-21.5000111.2V246 V249 V253 A259 K260 F261V246-N257 HydrophobicContact CG1-CB 3.81Å; V249-N257 HydrophobicContact CG1-CB 3.54Å; V253-N257 CarbonylContact O-C 3.49Å; V253-N257 PolarHBondContact O-N 3.24Å; N257-A259 VanDerWaalsContact C-N 3.26Å; N257-A259 PolarHBondContact O-N 2.96Å; N257-K260 PolarHBondContact O-N 3.48Å; N257-K260 VanDerWaalsContact OD1-CB 3.29Å; N257-K260 WeakPolarHBondContact OD1-CB 3.39Å; N257-K260 PolarHBondContact OD1-N 3.27Å; N257-K260 VanDerWaalsContact OD1-N 3.11Å; N257-F261 WeakPolarHBondContact O-CB 3.24Å; N257-F261 PolarHBondContact O-N 3.18Å
258P96Very high94.2Very high65 Ų6550 Ų5042%0.42228%0.276SS..Hα-helixtrans-62.8-32.9-173.223.9-33.7000112.5M34 H254 L262M34-P258 HydrophobicContact CE-CB 3.94Å; H254-P258 WeakPolarHBondContact O-CA 3.45Å; H254-P258 WeakPolarHBondContact O-CB 3.3Å; P258-L262 WeakPolarHBondContact O-CB 3.47Å; P258-L262 PolarHBondContact O-N 3.45Å
259A96.9Very high94.6Very high72 Ų7240.5 Ų40.560%0.59524%0.235SC*.Hα-helixtrans-67.5-48-179.700000111.8N257 L262 Q263N257-A259 VanDerWaalsContact C-N 3.26Å; N257-A259 PolarHBondContact O-N 2.96Å; A259-L262 PolarHBondContact O-N 3.14Å; A259-Q263 PolarHBondContact O-N 3.4Å
260K96.9Very high94.8Very high82 Ų8242.6 Ų42.636%0.35726%0.255SS..Hα-helixtrans-70-41.4179.3-173.960.9-177.8175.60111.6V246 N257 L262 Q263 I264V246-K260 HydrophobicContact CG1-CB 4.24Å; V246-K260 HydrophobicContact CG1-CG 4.12Å; V246-K260 HydrophobicContact CG2-CG 4.04Å; N257-K260 PolarHBondContact O-N 3.48Å; N257-K260 VanDerWaalsContact OD1-CB 3.29Å; N257-K260 WeakPolarHBondContact OD1-CB 3.39Å; N257-K260 PolarHBondContact OD1-N 3.27Å; N257-K260 VanDerWaalsContact OD1-N 3.11Å; K260-L262 PolarHBondContact O-N 3.26Å; K260-Q263 PolarHBondContact O-N 3.5Å; K260-I264 HydrophobicContact CD-CD1 4.36Å; K260-I264 HydrophobicContact CG-CD1 4.05Å; K260-I264 WeakPolarHBondContact O-CG1 3.24Å; K260-I264 PolarHBondContact O-N 3.5Å; K260-I264 VanDerWaalsContact O-N 3.09Å
261F97.4Very high94.9Very high0 Ų046.4 Ų46.40%026%0.26CS..Hα-helixtrans-57.5-49.1173.7177.3-90000111.4W31 M34 V123 I223 V253 H254 N257 Q263 I264 A265W31-F261 HydrophobicContact CH2-CE1 4.41Å; W31-F261 AromaticContact CH2-CZ 3.9Å; W31-F261 HydrophobicContact CH2-CZ 3.9Å; W31-F261 AromaticContact CZ3-CE1 3.85Å; W31-F261 HydrophobicContact CZ3-CE1 3.85Å; W31-F261 AromaticContact CZ3-CZ 3.72Å; W31-F261 HydrophobicContact CZ3-CZ 3.72Å; M34-F261 HydrophobicContact CE-CD1 3.51Å; M34-F261 HydrophobicContact CE-CE1 4.16Å; M34-F261 HydrophobicContact CE-CG 4.44Å; M34-F261 HydrophobicContact CG-CD1 4.06Å; M34-F261 HydrophobicContact CG-CE1 3.71Å; M34-F261 HydrophobicContact SD-CD1 3.57Å; M34-F261 VanDerWaalsContact SD-CD1 3.57Å; M34-F261 HydrophobicContact SD-CE1 3.79Å; V123-F261 HydrophobicContact CB-CE2 4.33Å; V123-F261 HydrophobicContact CG1-CD2 4.37Å; V123-F261 HydrophobicContact CG1-CE2 3.74Å; V123-F261 HydrophobicContact CG2-CE2 3.58Å; V123-F261 HydrophobicContact CG2-CZ 3.97Å; I223-F261 HydrophobicContact CD1-CD2 3.82Å; I223-F261 HydrophobicContact CD1-CE2 3.73Å; V253-F261 HydrophobicContact CG1-CB 4.44Å; V253-F261 HydrophobicContact CG1-CD2 3.98Å; H254-F261 HydrophobicContact CB-CD1 3.83Å; H254-F261 HydrophobicContact CB-CD2 4.08Å; H254-F261 HydrophobicContact CB-CE1 3.94Å; H254-F261 HydrophobicContact CB-CE2 4.18Å; H254-F261 HydrophobicContact CB-CG 3.9Å; H254-F261 HydrophobicContact CB-CZ 4.11Å; N257-F261 WeakPolarHBondContact O-CB 3.24Å; N257-F261 PolarHBondContact O-N 3.18Å; F261-Q263 VanDerWaalsContact C-N 3.3Å; F261-Q263 PolarHBondContact O-N 3.45Å; F261-I264 PolarHBondContact O-N 3.39Å; F261-A265 HydrophobicContact CD1-CB 4.46Å; F261-A265 HydrophobicContact CE1-CB 4.08Å; F261-A265 HydrophobicContact CZ-CB 4.31Å; F261-A265 VanDerWaalsContact O-CB 3.27Å; F261-A265 WeakPolarHBondContact O-CB 3.36Å; F261-A265 PolarHBondContact O-N 2.9Å
262L97.9Very high95.1Very high27 Ų2745.5 Ų45.514%0.14126%0.258CS..Hα-helixtrans-59.6-40.2179.4177.164.6000112.1M34 A37 L38 K41 P258 A259 K260 A266M34-L262 HydrophobicContact CE-CB 4.48Å; M34-L262 HydrophobicContact SD-CB 4.05Å; M34-L262 HydrophobicContact SD-CD1 3.95Å; A37-L262 HydrophobicContact CB-CD1 3.85Å; A37-L262 HydrophobicContact CB-CD2 3.77Å; A37-L262 HydrophobicContact CB-CG 4.46Å; L38-L262 HydrophobicContact CB-CD1 4.41Å; L38-L262 HydrophobicContact CD2-CD1 3.61Å; L38-L262 HydrophobicContact CG-CD1 3.72Å; K41-L262 HydrophobicContact CD-CD1 4.08Å; K41-L262 HydrophobicContact CD-CD2 4.07Å; K41-L262 HydrophobicContact CD-CG 3.9Å; P258-L262 WeakPolarHBondContact O-CB 3.47Å; P258-L262 PolarHBondContact O-N 3.45Å; A259-L262 PolarHBondContact O-N 3.14Å; K260-L262 PolarHBondContact O-N 3.26Å; L262-A266 WeakPolarHBondContact O-CB 3.48Å; L262-A266 PolarHBondContact O-N 2.79Å
263Q97.8Very high95.4Very high92 Ų9245.8 Ų45.843%0.4326%0.264SS..Hα-helixtrans-59.5-57.1175.3179.5-179.947.600110.8A259 K260 F261 A265 A266 D267A259-Q263 PolarHBondContact O-N 3.4Å; K260-Q263 PolarHBondContact O-N 3.5Å; F261-Q263 VanDerWaalsContact C-N 3.3Å; F261-Q263 PolarHBondContact O-N 3.45Å; Q263-A265 VanDerWaalsContact C-N 3.34Å; Q263-A265 PolarHBondContact O-N 3.47Å; Q263-A266 PolarHBondContact O-N 2.88Å; Q263-D267 WeakPolarHBondContact O-CB 3.37Å; Q263-D267 PolarHBondContact O-N 2.95Å
264I97.8Very high95.6Very high9 Ų948.2 Ų48.25%0.04628%0.278CS..Hα-helixtrans-59.5-46.7-177.5-63.8163000110.9I223 Q244 V246 K260 F261 D267 F268I223-I264 HydrophobicContact CD1-CB 4.09Å; I223-I264 HydrophobicContact CD1-CG2 3.63Å; I223-I264 HydrophobicContact CG1-CG2 3.87Å; Q244-I264 HydrophobicContact CB-CD1 4.28Å; Q244-I264 HydrophobicContact CB-CG2 3.89Å; Q244-I264 HydrophobicContact CG-CG2 3.72Å; V246-I264 HydrophobicContact CG2-CD1 3.71Å; K260-I264 HydrophobicContact CD-CD1 4.36Å; K260-I264 HydrophobicContact CG-CD1 4.05Å; K260-I264 WeakPolarHBondContact O-CG1 3.24Å; K260-I264 PolarHBondContact O-N 3.5Å; K260-I264 VanDerWaalsContact O-N 3.09Å; F261-I264 PolarHBondContact O-N 3.39Å; I264-D267 PolarHBondContact O-N 3.34Å; I264-F268 WeakPolarHBondContact O-CB 3.44Å; I264-F268 PolarHBondContact O-N 3.28Å
265A98Very high95.9Very high0 Ų050.2 Ų50.20%029%0.29CS..Hα-helixtrans-63.1-44.4-179.900000111.4L38 L121 F261 Q263 F268 L269L38-A265 HydrophobicContact CD2-CB 3.89Å; L121-A265 HydrophobicContact CD2-CB 3.73Å; F261-A265 HydrophobicContact CD1-CB 4.46Å; F261-A265 HydrophobicContact CE1-CB 4.08Å; F261-A265 HydrophobicContact CZ-CB 4.31Å; F261-A265 VanDerWaalsContact O-CB 3.27Å; F261-A265 WeakPolarHBondContact O-CB 3.36Å; F261-A265 PolarHBondContact O-N 2.9Å; Q263-A265 VanDerWaalsContact C-N 3.34Å; Q263-A265 PolarHBondContact O-N 3.47Å; A265-F268 PolarHBondContact O-N 3.48Å; A265-L269 VanDerWaalsContact O-CB 3.28Å; A265-L269 WeakPolarHBondContact O-CB 3.28Å; A265-L269 WeakPolarHBondContact O-CD1 3.42Å; A265-L269 WeakPolarHBondContact O-CG 3.37Å; A265-L269 PolarHBondContact O-N 3.25Å
266A97.7Very high96.2Very high7 Ų749.2 Ų49.26%0.05827%0.274CS..Hα-helixtrans-63.7-46.1177.300000111.9L38 K41 L42 L262 Q263 F268 L269 A270L38-A266 HydrophobicContact CD2-CB 4.31Å; K41-A266 HydrophobicContact CB-CB 4.43Å; K41-A266 HydrophobicContact CD-CB 3.91Å; L42-A266 HydrophobicContact CD2-CB 4.19Å; L42-A266 HydrophobicContact CG-CB 4.5Å; L262-A266 WeakPolarHBondContact O-CB 3.48Å; L262-A266 PolarHBondContact O-N 2.79Å; Q263-A266 PolarHBondContact O-N 2.88Å; A266-F268 VanDerWaalsContact C-N 3.31Å; A266-F268 PolarHBondContact O-N 3.05Å; A266-L269 PolarHBondContact O-N 3.4Å; A266-A270 VanDerWaalsContact O-CB 3.23Å; A266-A270 WeakPolarHBondContact O-CB 3.27Å; A266-A270 PolarHBondContact O-N 3.45Å
267D97.8Very high96.4Very high99 Ų9946.8 Ų46.853%0.52927%0.266SS..Hα-helixtrans-62.3-38.8-179.3-65.9-15.3000111.7Q263 I264Q263-D267 WeakPolarHBondContact O-CB 3.37Å; Q263-D267 PolarHBondContact O-N 2.95Å; I264-D267 PolarHBondContact O-N 3.34Å
268F97.9Very high96.5Very high3 Ų346.3 Ų46.31%0.01326%0.264CS..Hα-helixtrans-69.6-45175.4173.5-109.2000112.5R119 L120 L121 P219 C221 I264 A265 A266 A270 K271R119-F268 HydrophobicContact CB-CE1 4.02Å; R119-F268 HydrophobicContact CB-CZ 4.03Å; L120-F268 WeakPolarHBondContact O-CE1 3.4Å; L120-F268 WeakPolarHBondContact O-CZ 3.39Å; L121-F268 HydrophobicContact CB-CD1 4.1Å; L121-F268 HydrophobicContact CB-CE1 3.94Å; L121-F268 HydrophobicContact CD1-CD1 4.22Å; P219-F268 HydrophobicContact CB-CE2 4.1Å; P219-F268 HydrophobicContact CB-CZ 4.33Å; C221-F268 HydrophobicContact CB-CB 4.37Å; C221-F268 HydrophobicContact CB-CD1 3.92Å; C221-F268 HydrophobicContact CB-CD2 3.42Å; C221-F268 VanDerWaalsContact CB-CD2 3.42Å; C221-F268 HydrophobicContact CB-CE1 4.01Å; C221-F268 HydrophobicContact CB-CE2 3.52Å; C221-F268 HydrophobicContact CB-CG 3.63Å; C221-F268 HydrophobicContact CB-CZ 3.81Å; I264-F268 WeakPolarHBondContact O-CB 3.44Å; I264-F268 PolarHBondContact O-N 3.28Å; A265-F268 PolarHBondContact O-N 3.48Å; A266-F268 VanDerWaalsContact C-N 3.31Å; A266-F268 PolarHBondContact O-N 3.05Å; F268-A270 VanDerWaalsContact C-N 3.31Å; F268-A270 PolarHBondContact O-N 3.33Å; F268-K271 PolarHBondContact O-N 3.09Å
269L96.4Very high96.6Very high4 Ų444.8 Ų44.82%0.02125%0.252CS..Hα-helixtrans-72.1-24.9-176.5-66.7171.4000113L38 L42 S87 I89 R119 A265 A266 K271L38-L269 HydrophobicContact CD1-CD1 4.49Å; L38-L269 HydrophobicContact CD2-CD1 4.13Å; L42-L269 HydrophobicContact CD1-CB 3.65Å; L42-L269 HydrophobicContact CD1-CD1 3.96Å; L42-L269 HydrophobicContact CD1-CG 4.48Å; S87-L269 VanDerWaalsContact CB-CD2 3.41Å; I89-L269 HydrophobicContact CD1-CD1 3.77Å; I89-L269 HydrophobicContact CD1-CD2 4.39Å; R119-L269 PolarHBondContact NH1-O 3.18Å; A265-L269 VanDerWaalsContact O-CB 3.28Å; A265-L269 WeakPolarHBondContact O-CB 3.28Å; A265-L269 WeakPolarHBondContact O-CD1 3.42Å; A265-L269 WeakPolarHBondContact O-CG 3.37Å; A265-L269 PolarHBondContact O-N 3.25Å; A266-L269 PolarHBondContact O-N 3.4Å; L269-K271 VanDerWaalsContact C-N 3.3Å; L269-K271 PolarHBondContact O-N 3.27Å
270A94.3Very high96.5Very high69 Ų6942.6 Ų42.657%0.5722%0.224SC*.THydrogen-bonded Turntrans-75.8-10.817800000114.9L42 A266 F268L42-A270 HydrophobicContact CD2-CB 3.81Å; A266-A270 VanDerWaalsContact O-CB 3.23Å; A266-A270 WeakPolarHBondContact O-CB 3.27Å; A266-A270 PolarHBondContact O-N 3.45Å; F268-A270 VanDerWaalsContact C-N 3.31Å; F268-A270 PolarHBondContact O-N 3.33Å
271K88.6Confident96.5Very high119 Ų11939 Ų3952%0.51721%0.211SC..  trans-62.20175-65.9175.4178.8179.50111.4R16 R119 E242 F268 L269R16-K271 PolarHBondContact NH1-OXT 2.62Å; R119-K271 VanDerWaalsContact CZ-C 3.41Å; R119-K271 PolarHBondContact NH1-OXT 2.76Å; R119-K271 PolarHBondContact NH2-O 3.28Å; R119-K271 PolarHBondContact NH2-OXT 2.6Å; E242-K271 IonicContact OE1-NZ 2.65Å; E242-K271 PolarHBondContact OE1-NZ 3.23Å; E242-K271 IonicContact OE2-NZ 2.67Å; E242-K271 PolarHBondContact OE2-NZ 3.19Å; F268-K271 PolarHBondContact O-N 3.09Å; L269-K271 VanDerWaalsContact C-N 3.3Å; L269-K271 PolarHBondContact O-N 3.27Å

Retrieved 271 of 271 residues in 254.7 ms (Link to these results)

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