A0A087WRB4_MOUSE Loading...

Tubulin, alpha 4A

AlphaFold DB , UniProt , Accession A0A087WRB4, Species MOUSE (Mus musculus, Mouse), Gene Tuba4a, Length 100 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
1M81.8Confident89.9Confident196 Ų19673.4 Ų73.497%0.96640%0.401SS*.  0-60.60-65-54.5-80.600111.9N3 A4 C5M1-N3 VanDerWaalsContact C-N 3.34Å; M1-N3 PolarHBondContact O-N 2.72Å; M1-A4 PolarHBondContact O-N 3.05Å; M1-A4 VanDerWaalsContact O-N 3.16Å; M1-C5 PolarHBondContact O-N 3.41Å; M1-C5 VanDerWaalsContact O-N 3.14Å; M1-C5 PolarHBondContact O-SG 3Å
2G85.9Confident89.9Confident32 Ų3277.3 Ų77.333%0.3342%0.415SS..Hα-helixtrans-53.8-44.4-178.300000114.6A4 C5 W6G2-A4 PolarHBondContact O-N 2.94Å; G2-C5 PolarHBondContact O-N 2.85Å; G2-W6 VanDerWaalsContact O-CD1 3.24Å; G2-W6 PolarHBondContact O-N 2.9Å; G2-W6 VanDerWaalsContact O-N 3.08Å
3N86.8Confident89.7Confident58 Ų5875.2 Ų75.231%0.3140%0.401SS..Hα-helixtrans-57.7-46.2178.1-168.841.7000112.9M1 C5 W6 E7M1-N3 VanDerWaalsContact C-N 3.34Å; M1-N3 PolarHBondContact O-N 2.72Å; N3-C5 PolarHBondContact O-N 3.28Å; N3-W6 PolarHBondContact O-N 3.32Å; N3-E7 WeakPolarHBondContact O-CB 3.36Å; N3-E7 PolarHBondContact O-N 3.03Å
4A90.1Very high89.7Confident58 Ų5872.5 Ų72.548%0.47940%0.399SS..Hα-helixtrans-66.5-35178.800000112.7M1 G2 L8M1-A4 PolarHBondContact O-N 3.05Å; M1-A4 VanDerWaalsContact O-N 3.16Å; G2-A4 PolarHBondContact O-N 2.94Å; A4-L8 PolarHBondContact O-N 2.91Å
5C92.4Very high89.8Confident63 Ų6368.2 Ų68.243%0.42638%0.376SS..Hα-helixtrans-64.2-44.2174.8-64.30000111.7M1 G2 N3 L8 Y9M1-C5 PolarHBondContact O-N 3.41Å; M1-C5 VanDerWaalsContact O-N 3.14Å; M1-C5 PolarHBondContact O-SG 3Å; G2-C5 PolarHBondContact O-N 2.85Å; N3-C5 PolarHBondContact O-N 3.28Å; C5-L8 PolarHBondContact O-N 3.49Å; C5-Y9 PolarHBondContact O-N 2.91Å
6W93.3Very high90Very high29 Ų2969.4 Ų69.411%0.1138%0.378CS..Hα-helixtrans-70.5-35.3178.6-77107.3000112.9G2 N3 L8 Y9 C10 F37 F38 P48 A50 F52 F72G2-W6 VanDerWaalsContact O-CD1 3.24Å; G2-W6 PolarHBondContact O-N 2.9Å; G2-W6 VanDerWaalsContact O-N 3.08Å; N3-W6 PolarHBondContact O-N 3.32Å; W6-L8 VanDerWaalsContact C-N 3.33Å; W6-L8 PolarHBondContact O-N 2.75Å; W6-Y9 HydrophobicContact CE3-CD2 4.03Å; W6-Y9 HydrophobicContact CH2-CD2 4.49Å; W6-Y9 HydrophobicContact CZ3-CD2 4.01Å; W6-Y9 PolarHBondContact O-N 3.09Å; W6-C10 WeakPolarHBondContact O-CB 3.47Å; W6-C10 PolarHBondContact O-N 2.78Å; W6-C10 PolarHBondContact O-SG 3.23Å; W6-C10 VanDerWaalsContact O-SG 3.35Å; W6-F37 HydrophobicContact CH2-CB 4.06Å; W6-F37 WeakPolarHBondContact CH2-O 3.38Å; W6-F37 HydrophobicContact CZ3-CB 4.25Å; W6-F38 HydrophobicContact CE3-CE1 4.04Å; W6-F38 HydrophobicContact CE3-CE2 4.49Å; W6-F38 AromaticContact CE3-CZ 3.76Å; W6-F38 HydrophobicContact CE3-CZ 3.76Å; W6-F38 HydrophobicContact CZ3-CD1 4.38Å; W6-F38 HydrophobicContact CZ3-CD2 4.45Å; W6-F38 AromaticContact CZ3-CE1 3.82Å; W6-F38 HydrophobicContact CZ3-CE1 3.82Å; W6-F38 AromaticContact CZ3-CE2 3.88Å; W6-F38 HydrophobicContact CZ3-CE2 3.88Å; W6-F38 AromaticContact CZ3-CZ 3.53Å; W6-F38 HydrophobicContact CZ3-CZ 3.53Å; W6-P48 HydrophobicContact CD2-CB 3.91Å; W6-P48 HydrophobicContact CD2-CG 4.16Å; W6-P48 HydrophobicContact CE3-CB 3.7Å; W6-P48 HydrophobicContact CE3-CG 3.78Å; W6-P48 HydrophobicContact CH2-CB 3.71Å; W6-P48 HydrophobicContact CZ2-CB 3.92Å; W6-P48 HydrophobicContact CZ3-CB 3.59Å; W6-P48 HydrophobicContact CZ3-CG 4.01Å; W6-A50 HydrophobicContact CZ2-CB 3.63Å; W6-F52 AromaticContact CD1-CZ 3.73Å; W6-F72 HydrophobicContact CB-CE1 4.37Å; W6-F72 HydrophobicContact CB-CZ 3.9Å; W6-F72 HydrophobicContact CD2-CE1 4.4Å; W6-F72 AromaticContact CG-CE1 3.99Å; W6-F72 HydrophobicContact CG-CE1 3.99Å; W6-F72 AromaticContact CG-CZ 3.99Å; W6-F72 HydrophobicContact CG-CZ 3.99Å
7E92.9Very high90.2Very high84 Ų8468.6 Ų68.639%0.39338%0.377SS..Hα-helixtrans-57.6-46.3169.9169.4165.6-145.900111.4N3 C10 L11 Y68N3-E7 WeakPolarHBondContact O-CB 3.36Å; N3-E7 PolarHBondContact O-N 3.03Å; E7-C10 PolarHBondContact O-N 2.82Å; E7-L11 HydrophobicContact CG-CD1 4.39Å; E7-L11 WeakPolarHBondContact O-CG 3.37Å; E7-L11 PolarHBondContact O-N 3.44Å; E7-Y68 HydrophobicContact CB-CD2 4.47Å; E7-Y68 HydrophobicContact CB-CE2 3.71Å; E7-Y68 HydrophobicContact CG-CE2 3.76Å
8L92.6Very high90.3Very high90 Ų9067.8 Ų67.847%0.47137%0.372SS..Hα-helixtrans-64.3-44.2177.2-176.262.5000112.1A4 C5 W6 C10 L11 E12A4-L8 PolarHBondContact O-N 2.91Å; C5-L8 PolarHBondContact O-N 3.49Å; W6-L8 VanDerWaalsContact C-N 3.33Å; W6-L8 PolarHBondContact O-N 2.75Å; L8-C10 VanDerWaalsContact C-N 3.31Å; L8-C10 PolarHBondContact O-N 2.94Å; L8-L11 WeakPolarHBondContact O-CB 3.45Å; L8-L11 PolarHBondContact O-N 3.19Å; L8-L11 VanDerWaalsContact O-N 3.11Å; L8-E12 HydrophobicContact CD1-CG 4.37Å; L8-E12 HydrophobicContact CG-CG 4.38Å; L8-E12 WeakPolarHBondContact O-CG 3.26Å; L8-E12 PolarHBondContact O-N 3.29Å
9Y90.3Very high90.4Very high77 Ų7764.2 Ų64.230%0.30235%0.352SS..Hα-helixtrans-61.2-39.5175.7-76.4-9.5000112.6C5 W6 L11 E12 H13 F37C5-Y9 PolarHBondContact O-N 2.91Å; W6-Y9 HydrophobicContact CE3-CD2 4.03Å; W6-Y9 HydrophobicContact CH2-CD2 4.49Å; W6-Y9 HydrophobicContact CZ3-CD2 4.01Å; W6-Y9 PolarHBondContact O-N 3.09Å; Y9-L11 VanDerWaalsContact C-N 3.31Å; Y9-L11 PolarHBondContact O-N 3.15Å; Y9-E12 PolarHBondContact O-N 3.29Å; Y9-H13 WeakPolarHBondContact O-CB 3.32Å; Y9-H13 PolarHBondContact O-CD2 3.29Å; Y9-H13 PolarHBondContact O-N 3.45Å; Y9-F37 HydrophobicContact CE2-CD1 4.25Å; Y9-F37 HydrophobicContact CE2-CE1 4.4Å
10C91.7Very high90.4Very high0 Ų064.8 Ų64.80%035%0.352CS..Hα-helixtrans-59.9-43.7173.2-77.70000111.5W6 E7 L8 G14 I15 Y68 L71W6-C10 WeakPolarHBondContact O-CB 3.47Å; W6-C10 PolarHBondContact O-N 2.78Å; W6-C10 PolarHBondContact O-SG 3.23Å; W6-C10 VanDerWaalsContact O-SG 3.35Å; E7-C10 PolarHBondContact O-N 2.82Å; L8-C10 VanDerWaalsContact C-N 3.31Å; L8-C10 PolarHBondContact O-N 2.94Å; C10-G14 CarbonylContact O-C 3.47Å; C10-G14 WeakPolarHBondContact O-CA 3.41Å; C10-G14 PolarHBondContact O-N 2.78Å; C10-I15 HydrophobicContact CB-CB 4.33Å; C10-I15 WeakPolarHBondContact CB-O 3.46Å; C10-I15 PolarHBondContact O-N 3.11Å; C10-Y68 HydrophobicContact CB-CE1 3.92Å; C10-L71 VanDerWaalsContact SG-CD2 3.52Å
11L91Very high90.2Very high120 Ų12062.9 Ų62.963%0.62834%0.341SS*.Hα-helixtrans-66.1-43.5177.3-68.2171.5000112.8E7 L8 Y9 H13 G14E7-L11 HydrophobicContact CG-CD1 4.39Å; E7-L11 WeakPolarHBondContact O-CG 3.37Å; E7-L11 PolarHBondContact O-N 3.44Å; L8-L11 WeakPolarHBondContact O-CB 3.45Å; L8-L11 PolarHBondContact O-N 3.19Å; L8-L11 VanDerWaalsContact O-N 3.11Å; Y9-L11 VanDerWaalsContact C-N 3.31Å; Y9-L11 PolarHBondContact O-N 3.15Å; L11-H13 VanDerWaalsContact C-N 3.29Å; L11-H13 PolarHBondContact O-N 3.41Å; L11-G14 PolarHBondContact O-N 2.98Å
12E90.4Very high90.2Very high120 Ų12058 Ų5856%0.56132%0.324SS*.Hα-helixtrans-63.7-35.4179.3-73.6176.2173.700112.3L8 Y9L8-E12 HydrophobicContact CD1-CG 4.37Å; L8-E12 HydrophobicContact CG-CG 4.38Å; L8-E12 WeakPolarHBondContact O-CG 3.26Å; L8-E12 PolarHBondContact O-N 3.29Å; Y9-E12 PolarHBondContact O-N 3.29Å
13H87Confident89.5Confident51 Ų5160.3 Ų60.324%0.23634%0.335CS..Hα-helixtrans-97.2-0.1-179.3-64.7-62.4000114Y9 L11 I15 M21Y9-H13 WeakPolarHBondContact O-CB 3.32Å; Y9-H13 PolarHBondContact O-CD2 3.29Å; Y9-H13 PolarHBondContact O-N 3.45Å; L11-H13 VanDerWaalsContact C-N 3.29Å; L11-H13 PolarHBondContact O-N 3.41Å; H13-I15 HydrophobicContact CB-CD1 3.93Å; H13-I15 HydrophobicContact CB-CG1 4.05Å; H13-I15 PolarHBondContact O-N 2.82Å; H13-M21 WeakPolarHBondContact O-CE 3.27Å
14G89.4Confident88.6Confident37 Ų3758.7 Ų58.738%0.38133%0.326SS..THydrogen-bonded Turntrans66.225.4-178.800000114C10 L11C10-G14 CarbonylContact O-C 3.47Å; C10-G14 WeakPolarHBondContact O-CA 3.41Å; C10-G14 PolarHBondContact O-N 2.78Å; L11-G14 PolarHBondContact O-N 2.98Å
15I90.8Very high87.3Confident8 Ų865.4 Ų65.44%0.04135%0.345CS..  trans-85126.3176.2-60.3168.9000108.3C10 H13 M21 F38 H46 L71C10-I15 HydrophobicContact CB-CB 4.33Å; C10-I15 WeakPolarHBondContact CB-O 3.46Å; C10-I15 PolarHBondContact O-N 3.11Å; H13-I15 HydrophobicContact CB-CD1 3.93Å; H13-I15 HydrophobicContact CB-CG1 4.05Å; H13-I15 PolarHBondContact O-N 2.82Å; I15-M21 HydrophobicContact CG1-CB 4.33Å; I15-M21 HydrophobicContact CG1-CG 4.39Å; I15-M21 HydrophobicContact CG1-SD 4Å; I15-F38 HydrophobicContact CD1-CD1 3.9Å; I15-F38 HydrophobicContact CD1-CD2 3.88Å; I15-F38 HydrophobicContact CD1-CE1 3.69Å; I15-F38 HydrophobicContact CD1-CE2 3.68Å; I15-F38 HydrophobicContact CD1-CG 3.99Å; I15-F38 HydrophobicContact CD1-CZ 3.58Å; I15-H46 HydrophobicContact CD1-CB 4.08Å; I15-H46 HydrophobicContact CG2-CB 4.25Å; I15-L71 HydrophobicContact CG2-CD1 4.28Å
16Q92.9Very high85.9Confident88 Ų8865.8 Ų65.841%0.41135%0.345SS..  trans-73.4162177.6-67-170.828.300111.6D18 G19 Q20Q16-D18 WeakPolarHBondContact CB-OD1 3.41Å; Q16-D18 PolarHBondContact O-N 3.08Å; Q16-G19 WeakPolarHBondContact O-CA 3.43Å; Q16-G19 PolarHBondContact O-N 3.39Å; Q16-Q20 WeakPolarHBondContact CB-O 3.47Å; Q16-Q20 PolarHBondContact N-O 3.37Å
17P93.7Very high84.3Confident55 Ų5570.4 Ų70.436%0.35737%0.371SS..THydrogen-bonded Turntrans-60.5-17.2179.8-25.134.9000115.7P67 Y68 L71P17-P67 WeakPolarHBondContact CB-O 3.25Å; P17-Y68 HydrophobicContact CB-CD1 3.81Å; P17-Y68 HydrophobicContact CB-CE1 3.88Å; P17-Y68 HydrophobicContact CB-CG 4.41Å; P17-Y68 HydrophobicContact CG-CD1 4.41Å; P17-Y68 HydrophobicContact CG-CE1 3.98Å; P17-L71 PolarHBondContact O-N 3.19Å
18D92.4Very high82.5Confident54 Ų5469.5 Ų69.529%0.28938%0.384SS..THydrogen-bonded Turntrans-88.5-2.2173.267.2-7.6000113.7Q16 Q20 K45 Q70Q16-D18 WeakPolarHBondContact CB-OD1 3.41Å; Q16-D18 PolarHBondContact O-N 3.08Å; D18-Q20 VanDerWaalsContact OD1-CB 3.31Å; D18-Q20 WeakPolarHBondContact OD1-CB 3.5Å; D18-Q20 PolarHBondContact OD1-N 3.08Å; D18-Q20 WeakPolarHBondContact OD2-CG 2.98Å; D18-K45 VanDerWaalsContact O-CE 3.27Å; D18-K45 WeakPolarHBondContact O-CE 3.24Å; D18-K45 WeakPolarHBondContact O-CG 3.4Å; D18-Q70 HydrophobicContact CB-CB 4.45Å
19G91.4Very high80.8Confident0 Ų067 Ų670%038%0.381CS..SBendtrans86.84.2-177.100000114.2Q16 H46Q16-G19 WeakPolarHBondContact O-CA 3.43Å; Q16-G19 PolarHBondContact O-N 3.39Å; G19-H46 WeakPolarHBondContact O-CB 3.16Å; G19-H46 PolarHBondContact O-N 3.35Å; G19-H46 PolarHBondContact O-ND1 2.91Å
20Q91Very high79.2Confident75 Ų7566.2 Ų66.235%0.3540%0.395SS..BIsolated β-bridgetrans-79.5142.8177.5-67.4-67-20.100111.6Q16 D18 A43Q16-Q20 WeakPolarHBondContact CB-O 3.47Å; Q16-Q20 PolarHBondContact N-O 3.37Å; D18-Q20 VanDerWaalsContact OD1-CB 3.31Å; D18-Q20 WeakPolarHBondContact OD1-CB 3.5Å; D18-Q20 PolarHBondContact OD1-N 3.08Å; D18-Q20 WeakPolarHBondContact OD2-CG 2.98Å; Q20-A43 PolarHBondContact NE2-O 3.04Å
21M87.4Confident77.6Confident26 Ų2673.7 Ų73.713%0.12844%0.436CS..  trans-12788.5177-173172.4166.500109.5H13 I15 S23 D24 F34H13-M21 WeakPolarHBondContact O-CE 3.27Å; I15-M21 HydrophobicContact CG1-CB 4.33Å; I15-M21 HydrophobicContact CG1-CG 4.39Å; I15-M21 HydrophobicContact CG1-SD 4Å; M21-S23 PolarHBondContact O-N 3.47Å; M21-S23 VanDerWaalsContact O-N 3.11Å; M21-D24 HydrophobicContact CB-CB 4.07Å; M21-D24 HydrophobicContact CE-CB 4.34Å; M21-D24 HydrophobicContact CG-CB 3.86Å; M21-D24 WeakPolarHBondContact O-CB 3.47Å; M21-D24 PolarHBondContact O-N 3.46Å; M21-D24 HydrophobicContact SD-CB 4.04Å; M21-F34 HydrophobicContact CE-CE1 4.02Å; M21-F34 HydrophobicContact CE-CZ 4.21Å; M21-F34 HydrophobicContact SD-CE1 4.31Å; M21-F34 HydrophobicContact SD-CE2 4.37Å; M21-F34 HydrophobicContact SD-CZ 3.97Å
22P79.9Confident76.5Confident93 Ų9371.5 Ų71.560%0.60442%0.424SS*.THydrogen-bonded Turntrans-63-21.3-174.1-20.930.3000114.8D24P22-D24 VanDerWaalsContact C-N 3.32Å
23S72.9Confident75.6Confident80 Ų8070.5 Ų70.556%0.55943%0.431SS*.THydrogen-bonded Turntrans-76.6-20.5175.945.50000113.1M21 K25M21-S23 PolarHBondContact O-N 3.47Å; M21-S23 VanDerWaalsContact O-N 3.11Å; S23-K25 PolarHBondContact O-N 2.64Å
24D67.1Low75Confident24 Ų2468.8 Ų68.813%0.12842%0.423CS..  trans-77.7110.7177.4-170.9-0.1000109.5M21 P22 T26 H46M21-D24 HydrophobicContact CB-CB 4.07Å; M21-D24 HydrophobicContact CE-CB 4.34Å; M21-D24 HydrophobicContact CG-CB 3.86Å; M21-D24 WeakPolarHBondContact O-CB 3.47Å; M21-D24 PolarHBondContact O-N 3.46Å; M21-D24 HydrophobicContact SD-CB 4.04Å; P22-D24 VanDerWaalsContact C-N 3.32Å; D24-T26 WeakPolarHBondContact OD1-CA 3.45Å; D24-T26 PolarHBondContact OD1-N 2.94Å; D24-T26 PolarHBondContact OD1-OG1 3.46Å; D24-H46 IonicContact OD2-CE1 3.69Å; D24-H46 IonicContact OD2-NE2 3.98Å
25K62.5Low74.5Confident199 Ų19969.6 Ų69.687%0.86542%0.42SS*.  trans-96.30.8177.8-67.7-178.6-178.9176.90112S23S23-K25 PolarHBondContact O-N 2.64Å
26T62.3Low74.2Confident71 Ų7173.8 Ų73.844%0.43645%0.446SS..  trans-116.158.9-171.2320000110D24 G28 G29D24-T26 WeakPolarHBondContact OD1-CA 3.45Å; D24-T26 PolarHBondContact OD1-N 2.94Å; D24-T26 PolarHBondContact OD1-OG1 3.46Å; T26-G28 PolarHBondContact O-N 2.83Å; T26-G29 PolarHBondContact O-N 2.91Å
27I59.8Low74.1Confident126 Ų12673.7 Ų73.765%0.64645%0.445SS*.THydrogen-bonded Turntrans-54.6113.4169.8-61.4172.8000108.2E40I27-E40 WeakPolarHBondContact CA-OE1 3.42Å
28G56.6Low73.9Confident65 Ų6571.2 Ų71.267%0.6743%0.428SS*.THydrogen-bonded Turntrans78.110.6-176.400000116.2T26 G30 E40T26-G28 PolarHBondContact O-N 2.83Å; G28-G30 PolarHBondContact O-N 2.8Å; G28-E40 PolarHBondContact N-OE1 3.12Å; G28-E40 PolarHBondContact N-OE2 3.34Å
29G56.9Low73.8Confident39 Ų3970.6 Ų70.640%0.40243%0.428SS..  trans-93.769.5172.900000111.3T26 D31T26-G29 PolarHBondContact O-N 2.91Å; G29-D31 PolarHBondContact O-N 3.03Å
30G56.3Low73.6Confident59 Ų5973.6 Ų73.661%0.60844%0.442SS*.  trans-76.574.7-170.200000115.4G28G28-G30 PolarHBondContact O-N 2.8Å
31D58.3Low73.4Confident158 Ų15872.5 Ų72.585%0.84544%0.441SS*.  trans-138.513.4167.5-137.411.3000114.2G29G29-D31 PolarHBondContact O-N 3.03Å
32D66.9Low73Confident73 Ų7375.4 Ų75.439%0.3948%0.477SS..SBendtrans-80.9141.5172.1-78.6-20.9000111.5F34 T35D32-F34 HydrophobicContact CB-CD1 3.6Å; D32-F34 HydrophobicContact CB-CE1 3.19Å; D32-F34 HydrophobicContact CB-CE2 4.48Å; D32-F34 HydrophobicContact CB-CG 4.41Å; D32-F34 HydrophobicContact CB-CZ 3.69Å; D32-F34 PolarHBondContact O-N 2.8Å; D32-F34 VanDerWaalsContact OD2-CE1 3.26Å; D32-F34 WeakPolarHBondContact OD2-CE1 3.31Å; D32-T35 WeakPolarHBondContact O-CB 3.45Å; D32-T35 WeakPolarHBondContact O-CG2 3.44Å; D32-T35 PolarHBondContact O-N 2.84Å; D32-T35 VanDerWaalsContact O-N 3.09Å; D32-T35 PolarHBondContact O-OG1 2.93Å
33S71Confident73.2Confident100 Ų10074.6 Ų74.670%0.69948%0.478SS*.G310 helixtrans-59.1-21.8-173.657.80000114.7T36S33-T36 WeakPolarHBondContact O-CB 3.21Å; S33-T36 PolarHBondContact O-OG1 3.46Å
34F74.9Confident73.8Confident14 Ų1471.1 Ų71.16%0.06146%0.455CS..G310 helixtrans-78-14.8179.764-101.9000114.2M21 D32 T36 F37 F38 H46M21-F34 HydrophobicContact CE-CE1 4.02Å; M21-F34 HydrophobicContact CE-CZ 4.21Å; M21-F34 HydrophobicContact SD-CE1 4.31Å; M21-F34 HydrophobicContact SD-CE2 4.37Å; M21-F34 HydrophobicContact SD-CZ 3.97Å; D32-F34 HydrophobicContact CB-CD1 3.6Å; D32-F34 HydrophobicContact CB-CE1 3.19Å; D32-F34 HydrophobicContact CB-CE2 4.48Å; D32-F34 HydrophobicContact CB-CG 4.41Å; D32-F34 HydrophobicContact CB-CZ 3.69Å; D32-F34 PolarHBondContact O-N 2.8Å; D32-F34 VanDerWaalsContact OD2-CE1 3.26Å; D32-F34 WeakPolarHBondContact OD2-CE1 3.31Å; F34-T36 PolarHBondContact O-N 3.37Å; F34-T36 VanDerWaalsContact O-N 3.08Å; F34-F37 PolarHBondContact O-N 3.03Å; F34-F38 PolarHBondContact O-N 3.15Å; F34-F38 VanDerWaalsContact O-N 3.08Å; F34-H46 AromaticContact CE2-CD2 3.71Å; F34-H46 AromaticContact CE2-NE2 3.55Å
35T79.4Confident74.9Confident54 Ų5472.7 Ų72.733%0.33146%0.461SS..G310 helixtrans-60.1-18.5173.258.50000113D32 F37 F38 R49D32-T35 WeakPolarHBondContact O-CB 3.45Å; D32-T35 WeakPolarHBondContact O-CG2 3.44Å; D32-T35 PolarHBondContact O-N 2.84Å; D32-T35 VanDerWaalsContact O-N 3.09Å; D32-T35 PolarHBondContact O-OG1 2.93Å; T35-F37 PolarHBondContact O-N 3.41Å; T35-F38 CarbonylContact C-O 3.54Å; T35-R49 PolarHBondContact O-NE 3.36Å
36T85.1Confident76.3Confident96 Ų9663.5 Ų63.559%0.58942%0.421SS*.G310 helixtrans-57.5-37.7169.3-500000112.1S33 F34 R49S33-T36 WeakPolarHBondContact O-CB 3.21Å; S33-T36 PolarHBondContact O-OG1 3.46Å; F34-T36 PolarHBondContact O-N 3.37Å; F34-T36 VanDerWaalsContact O-N 3.08Å; T36-R49 WeakPolarHBondContact O-CD 3.35Å
37F89.6Confident77.7Confident87 Ų8760.9 Ų60.938%0.38241%0.405SS..THydrogen-bonded Turntrans-106.2-22.5-174.5-65.5-75.8000113.3W6 Y9 F34 T35 R49W6-F37 HydrophobicContact CH2-CB 4.06Å; W6-F37 WeakPolarHBondContact CH2-O 3.38Å; W6-F37 HydrophobicContact CZ3-CB 4.25Å; Y9-F37 HydrophobicContact CE2-CD1 4.25Å; Y9-F37 HydrophobicContact CE2-CE1 4.4Å; F34-F37 PolarHBondContact O-N 3.03Å; T35-F37 PolarHBondContact O-N 3.41Å; F37-R49 WeakPolarHBondContact O-CB 3.31Å; F37-R49 PolarHBondContact O-N 2.96Å
38F90.6Very high79.4Confident2 Ų254.9 Ų54.91%0.00937%0.374CS..EExtended strand (participates in β ladder)trans-119.4144.6-178.9-64.2-93.5000112.2W6 I15 F34 T35 H46 V47 P48 R49W6-F38 HydrophobicContact CE3-CE1 4.04Å; W6-F38 HydrophobicContact CE3-CE2 4.49Å; W6-F38 AromaticContact CE3-CZ 3.76Å; W6-F38 HydrophobicContact CE3-CZ 3.76Å; W6-F38 HydrophobicContact CZ3-CD1 4.38Å; W6-F38 HydrophobicContact CZ3-CD2 4.45Å; W6-F38 AromaticContact CZ3-CE1 3.82Å; W6-F38 HydrophobicContact CZ3-CE1 3.82Å; W6-F38 AromaticContact CZ3-CE2 3.88Å; W6-F38 HydrophobicContact CZ3-CE2 3.88Å; W6-F38 AromaticContact CZ3-CZ 3.53Å; W6-F38 HydrophobicContact CZ3-CZ 3.53Å; I15-F38 HydrophobicContact CD1-CD1 3.9Å; I15-F38 HydrophobicContact CD1-CD2 3.88Å; I15-F38 HydrophobicContact CD1-CE1 3.69Å; I15-F38 HydrophobicContact CD1-CE2 3.68Å; I15-F38 HydrophobicContact CD1-CG 3.99Å; I15-F38 HydrophobicContact CD1-CZ 3.58Å; F34-F38 PolarHBondContact O-N 3.15Å; F34-F38 VanDerWaalsContact O-N 3.08Å; T35-F38 CarbonylContact C-O 3.54Å; F38-H46 HydrophobicContact CB-CB 4.26Å; F38-H46 HydrophobicContact CD1-CB 4.1Å; F38-H46 HydrophobicContact CG-CB 4.41Å; F38-V47 CarbonylContact C-O 3Å; F38-V47 WeakPolarHBondContact CA-O 3.4Å; F38-P48 HydrophobicContact CD1-CG 4.12Å; F38-P48 HydrophobicContact CE1-CB 4.49Å; F38-P48 HydrophobicContact CE1-CG 3.79Å; F38-R49 PolarHBondContact O-NE 3.49Å
39C89.8Confident81.2Confident42 Ų4258.9 Ų58.928%0.28437%0.369SS..EExtended strand (participates in β ladder)trans-95.2126.4164.1-67.60000108.9H46 V47 R49C39-H46 WeakPolarHBondContact O-CA 3.44Å; C39-V47 PolarHBondContact N-O 3.42Å; C39-V47 PolarHBondContact O-N 2.87Å; C39-R49 VanDerWaalsContact SG-CG 3.56Å; C39-R49 PolarHBondContact SG-NH1 3.32Å; C39-R49 PolarHBondContact SG-NH2 3.08Å; C39-R49 VanDerWaalsContact SG-NH2 3.44Å
40E87.5Confident82.9Confident62 Ų6257.8 Ų57.829%0.2936%0.356SS..EExtended strand (participates in β ladder)trans-82.6131.3167.8-160.5-164.9163.700109.8I27 G28I27-E40 WeakPolarHBondContact CA-OE1 3.42Å; G28-E40 PolarHBondContact N-OE1 3.12Å; G28-E40 PolarHBondContact N-OE2 3.34Å
41T85.6Confident84.8Confident53 Ų5359.5 Ų59.533%0.32535%0.354SS..PPolyproline II helixtrans-90.1160.5169.368.10000110.1A43 G44 K45 V47T41-A43 PolarHBondContact O-N 2.9Å; T41-A43 PolarHBondContact OG1-N 3.44Å; T41-G44 PolarHBondContact O-N 3.49Å; T41-K45 HydrophobicContact CG2-CB 4.48Å; T41-K45 PolarHBondContact N-O 2.88Å; T41-K45 VanDerWaalsContact OG1-CB 3.32Å; T41-K45 WeakPolarHBondContact OG1-CB 3.49Å; T41-K45 PolarHBondContact OG1-N 2.88Å; T41-K45 PolarHBondContact OG1-O 3.32Å; T41-V47 HydrophobicContact CG2-CG2 3.96Å
42G80.1Confident86.5Confident86 Ų8653.5 Ų53.589%0.88732%0.321SS*.THydrogen-bonded Turntrans-60.7-8.7176.100000115.5
43A84.9Confident87.8Confident77 Ų7753.1 Ų53.164%0.63632%0.321SS*.THydrogen-bonded Turntrans-95.31217400000113.4Q20 T41 K45Q20-A43 PolarHBondContact NE2-O 3.04Å; T41-A43 PolarHBondContact O-N 2.9Å; T41-A43 PolarHBondContact OG1-N 3.44Å; A43-K45 PolarHBondContact O-N 2.81Å
44G84.4Confident88.9Confident7 Ų750.5 Ų50.57%0.07230%0.299CS..SBendtrans745.6-177.400000114.3T41 H46T41-G44 PolarHBondContact O-N 3.49Å; G44-H46 PolarHBondContact O-ND1 3.35Å
45K90.4Very high89.7Confident57 Ų5751.1 Ų51.125%0.24830%0.303CS..BIsolated β-bridgetrans-80.1129.3177.3-177.3-173.8178.9-1760110.6D18 T41 A43 V47 Q70D18-K45 VanDerWaalsContact O-CE 3.27Å; D18-K45 WeakPolarHBondContact O-CE 3.24Å; D18-K45 WeakPolarHBondContact O-CG 3.4Å; T41-K45 HydrophobicContact CG2-CB 4.48Å; T41-K45 PolarHBondContact N-O 2.88Å; T41-K45 VanDerWaalsContact OG1-CB 3.32Å; T41-K45 WeakPolarHBondContact OG1-CB 3.49Å; T41-K45 PolarHBondContact OG1-N 2.88Å; T41-K45 PolarHBondContact OG1-O 3.32Å; A43-K45 PolarHBondContact O-N 2.81Å; K45-V47 HydrophobicContact CD-CG2 4.16Å; K45-V47 HydrophobicContact CG-CG2 4.19Å; K45-Q70 WeakPolarHBondContact CE-O 3.28Å; K45-Q70 PolarHBondContact NZ-O 3.42Å
46H91.1Very high90.4Very high5 Ų551.6 Ų51.62%0.02330%0.301CS..EExtended strand (participates in β ladder)trans-93.6114.7174.6-66.379.7000110.2I15 G19 D24 F34 F38 C39 G44I15-H46 HydrophobicContact CD1-CB 4.08Å; I15-H46 HydrophobicContact CG2-CB 4.25Å; G19-H46 WeakPolarHBondContact O-CB 3.16Å; G19-H46 PolarHBondContact O-N 3.35Å; G19-H46 PolarHBondContact O-ND1 2.91Å; D24-H46 IonicContact OD2-CE1 3.69Å; D24-H46 IonicContact OD2-NE2 3.98Å; F34-H46 AromaticContact CE2-CD2 3.71Å; F34-H46 AromaticContact CE2-NE2 3.55Å; F38-H46 HydrophobicContact CB-CB 4.26Å; F38-H46 HydrophobicContact CD1-CB 4.1Å; F38-H46 HydrophobicContact CG-CB 4.41Å; C39-H46 WeakPolarHBondContact O-CA 3.44Å; G44-H46 PolarHBondContact O-ND1 3.35Å
47V93.4Very high90.7Very high16 Ų1649.3 Ų49.310%0.09729%0.288CS..EExtended strand (participates in β ladder)trans-108.8125.6-178.4-179.30000109.3F38 C39 T41 K45 H73F38-V47 CarbonylContact C-O 3Å; F38-V47 WeakPolarHBondContact CA-O 3.4Å; C39-V47 PolarHBondContact N-O 3.42Å; C39-V47 PolarHBondContact O-N 2.87Å; T41-V47 HydrophobicContact CG2-CG2 3.96Å; K45-V47 HydrophobicContact CD-CG2 4.16Å; K45-V47 HydrophobicContact CG-CG2 4.19Å; V47-H73 HydrophobicContact CG1-CB 4.37Å
48P95Very high90.9Very high0 Ų048.8 Ų48.80%029%0.292CS..EExtended strand (participates in β ladder)trans-53.9137.8175.7-31.438.6000113.5W6 F38 A50 L71 F72 Q76W6-P48 HydrophobicContact CD2-CB 3.91Å; W6-P48 HydrophobicContact CD2-CG 4.16Å; W6-P48 HydrophobicContact CE3-CB 3.7Å; W6-P48 HydrophobicContact CE3-CG 3.78Å; W6-P48 HydrophobicContact CH2-CB 3.71Å; W6-P48 HydrophobicContact CZ2-CB 3.92Å; W6-P48 HydrophobicContact CZ3-CB 3.59Å; W6-P48 HydrophobicContact CZ3-CG 4.01Å; F38-P48 HydrophobicContact CD1-CG 4.12Å; F38-P48 HydrophobicContact CE1-CB 4.49Å; F38-P48 HydrophobicContact CE1-CG 3.79Å; P48-A50 HydrophobicContact CB-CB 4.22Å; P48-A50 PolarHBondContact O-N 3.06Å; P48-L71 WeakPolarHBondContact CD-O 3.41Å; P48-L71 HydrophobicContact CG-CD1 4.18Å; P48-L71 HydrophobicContact CG-CD2 3.69Å; P48-L71 HydrophobicContact CG-CG 3.61Å; P48-F72 HydrophobicContact CB-CD1 3.96Å; P48-F72 HydrophobicContact CB-CE1 3.8Å; P48-F72 HydrophobicContact CG-CD1 3.84Å; P48-F72 HydrophobicContact CG-CE1 3.62Å; P48-F72 HydrophobicContact CG-CZ 4.45Å; P48-Q76 PolarHBondContact O-NE2 3.42Å; P48-Q76 PolarHBondContact O-OE1 3.44Å
49R94Very high91Very high150 Ų15052.1 Ų52.157%0.56631%0.312SS*.SBendtrans-81.564.3166.3-64.3175.9-175-83.4-0.8109.5T35 T36 F37 F38 C39T35-R49 PolarHBondContact O-NE 3.36Å; T36-R49 WeakPolarHBondContact O-CD 3.35Å; F37-R49 WeakPolarHBondContact O-CB 3.31Å; F37-R49 PolarHBondContact O-N 2.96Å; F38-R49 PolarHBondContact O-NE 3.49Å; C39-R49 VanDerWaalsContact SG-CG 3.56Å; C39-R49 PolarHBondContact SG-NH1 3.32Å; C39-R49 PolarHBondContact SG-NH2 3.08Å; C39-R49 VanDerWaalsContact SG-NH2 3.44Å
50A93.6Very high91.2Very high15 Ų1550.3 Ų50.312%0.12430%0.3CS..  trans-129.2154.5-179.500000111.3W6 P48 F52 Q76W6-A50 HydrophobicContact CZ2-CB 3.63Å; P48-A50 HydrophobicContact CB-CB 4.22Å; P48-A50 PolarHBondContact O-N 3.06Å; A50-F52 HydrophobicContact CB-CE2 4.03Å; A50-Q76 VanDerWaalsContact O-CB 3.31Å; A50-Q76 WeakPolarHBondContact O-CB 3.37Å; A50-Q76 VanDerWaalsContact O-CG 3.24Å; A50-Q76 WeakPolarHBondContact O-CG 3.25Å; A50-Q76 PolarHBondContact O-NE2 3.24Å
51V94.7Very high91.5Very high96 Ų9650 Ų5058%0.58230%0.301SS*.  trans-128.6130.3166.7-177.50000107.4V53 Q76 I78V51-V53 HydrophobicContact CG1-CG2 3.75Å; V51-Q76 WeakPolarHBondContact CA-O 3.38Å; V51-I78 HydrophobicContact CG1-CD1 3.9Å
52F94.6Very high91.9Very high31 Ų3154 Ų5414%0.13632%0.315CS..EExtended strand (participates in β ladder)trans-107.1128171.3-65.1-101.7000108.1W6 A50 I60 I63 F72 Q76 L77 I78W6-F52 AromaticContact CD1-CZ 3.73Å; A50-F52 HydrophobicContact CB-CE2 4.03Å; F52-I60 HydrophobicContact CB-CD1 3.48Å; F52-I60 VanDerWaalsContact CB-CD1 3.48Å; F52-I60 HydrophobicContact CG-CD1 4.44Å; F52-I63 HydrophobicContact CD1-CD1 3.61Å; F52-I63 HydrophobicContact CE1-CD1 3.75Å; F52-I63 HydrophobicContact CG-CD1 4.07Å; F52-I63 HydrophobicContact CZ-CD1 4.34Å; F52-F72 HydrophobicContact CD2-CD1 4.48Å; F52-F72 AromaticContact CE2-CD1 3.79Å; F52-F72 HydrophobicContact CE2-CD1 3.79Å; F52-F72 AromaticContact CE2-CE1 3.45Å; F52-F72 HydrophobicContact CE2-CE1 3.45Å; F52-F72 VanDerWaalsContact CE2-CE1 3.45Å; F52-F72 HydrophobicContact CE2-CG 4.47Å; F52-F72 AromaticContact CE2-CZ 3.86Å; F52-F72 HydrophobicContact CE2-CZ 3.86Å; F52-F72 AromaticContact CZ-CE1 3.98Å; F52-F72 HydrophobicContact CZ-CE1 3.98Å; F52-F72 AromaticContact CZ-CZ 3.98Å; F52-F72 HydrophobicContact CZ-CZ 3.98Å; F52-Q76 PolarHBondContact N-O 2.94Å; F52-L77 HydrophobicContact CB-CD2 3.87Å; F52-L77 HydrophobicContact CD2-CD2 3.64Å; F52-L77 HydrophobicContact CE2-CD2 4.48Å; F52-L77 HydrophobicContact CG-CD2 3.99Å; F52-I78 PolarHBondContact O-N 2.89Å
53V94.3Very high92.6Very high66 Ų6650.3 Ų50.340%0.428%0.275SS..EExtended strand (participates in β ladder)trans-129.2127.8179.1-169.70000108V51 I78 I99 I100V51-V53 HydrophobicContact CG1-CG2 3.75Å; V53-I78 WeakPolarHBondContact CA-O 3.32Å; V53-I78 HydrophobicContact CG1-CB 4.33Å; V53-I78 HydrophobicContact CG1-CG2 4.25Å; V53-I78 HydrophobicContact CG2-CB 4.3Å; V53-I78 HydrophobicContact CG2-CD1 4.29Å; V53-I99 HydrophobicContact CG1-CG2 4.17Å; V53-I100 HydrophobicContact CG1-CD1 4.19Å; V53-I100 HydrophobicContact CG1-CG1 4.45Å
54D94.1Very high93Very high45 Ų4550.6 Ų50.624%0.24126%0.26CS..EExtended strand (participates in β ladder)trans-137.2148.9169.6-155.2-32.5000109.6E56 I60 I78 T79 G80D54-E56 VanDerWaalsContact C-N 3.25Å; D54-E56 WeakPolarHBondContact CB-O 3.49Å; D54-E56 PolarHBondContact OD1-N 3.11Å; D54-I60 HydrophobicContact CB-CD1 4.24Å; D54-I60 HydrophobicContact CB-CG1 3.73Å; D54-I78 PolarHBondContact N-O 3.46Å; D54-T79 CarbonylContact O-C 3.58Å; D54-T79 VanDerWaalsContact O-CA 3.25Å; D54-T79 WeakPolarHBondContact O-CA 3.04Å; D54-G80 PolarHBondContact O-N 3.34Å
55L92.2Very high93.5Very high26 Ų2656.3 Ų56.314%0.13629%0.289CS..SBendtrans-80.1-13.6177.7-55.9-177.3000111.6G80 K81 E82 A84 I95 I99L55-G80 CarbonylContact O-C 3.42Å; L55-G80 WeakPolarHBondContact O-CA 3.2Å; L55-K81 PolarHBondContact O-N 3.43Å; L55-E82 CarbonylContact C-O 3.57Å; L55-E82 WeakPolarHBondContact CB-O 3.39Å; L55-E82 CarbonylContact O-C 3.56Å; L55-E82 PolarHBondContact O-N 3.41Å; L55-A84 HydrophobicContact CD1-CB 3.77Å; L55-I95 HydrophobicContact CB-CG2 4.48Å; L55-I95 HydrophobicContact CD1-CB 4.47Å; L55-I95 HydrophobicContact CD1-CG2 4.1Å; L55-I95 HydrophobicContact CD2-CG2 4.45Å; L55-I99 HydrophobicContact CD2-CD1 3.65Å; L55-I99 HydrophobicContact CD2-CG1 4.47Å
56E92.6Very high93.6Very high64 Ų6454.5 Ų54.530%0.29929%0.286SS..SBendtrans-129.4155.8174.871.2125158.200111.5D54 T58 D83D54-E56 VanDerWaalsContact C-N 3.25Å; D54-E56 WeakPolarHBondContact CB-O 3.49Å; D54-E56 PolarHBondContact OD1-N 3.11Å; E56-T58 WeakPolarHBondContact OE2-CB 3.42Å; E56-T58 PolarHBondContact OE2-N 3.13Å; E56-T58 PolarHBondContact OE2-OG1 2.98Å; E56-D83 HydrophobicContact CB-CB 4.36Å
57P92.2Very high93.7Very high49 Ų4959.3 Ų59.332%0.31832%0.318SS..SBendtrans-79.1-21.1-168.330.2-35.1000114.2V59 I60 D61 T79P57-V59 PolarHBondContact O-N 3.33Å; P57-I60 PolarHBondContact O-N 3.06Å; P57-D61 WeakPolarHBondContact O-CB 3.36Å; P57-D61 PolarHBondContact O-N 2.82Å; P57-T79 HydrophobicContact CB-CG2 4.41Å
58T93.6Very high93.7Very high76 Ų7659.3 Ų59.347%0.46632%0.316SS..Hα-helixtrans-54.7-52.6-164.1-560000113.2E56 I60 D61 E62E56-T58 WeakPolarHBondContact OE2-CB 3.42Å; E56-T58 PolarHBondContact OE2-N 3.13Å; E56-T58 PolarHBondContact OE2-OG1 2.98Å; T58-I60 PolarHBondContact O-N 3.01Å; T58-D61 PolarHBondContact O-N 3.12Å; T58-E62 PolarHBondContact O-N 3.12Å
59V92.7Very high93.7Very high71 Ų7166.1 Ų66.143%0.4334%0.342SS..Hα-helixtrans-69.3-36.6-176.1-179.80000112.1P57P57-V59 PolarHBondContact O-N 3.33Å
60I94.3Very high93.7Very high4 Ų463.1 Ų63.12%0.02133%0.334CS..Hα-helixtrans-74.1-33.9178.7-58.8-60.9000111.1F52 D54 P57 T58 E62 I63 R64 L77 T79F52-I60 HydrophobicContact CB-CD1 3.48Å; F52-I60 VanDerWaalsContact CB-CD1 3.48Å; F52-I60 HydrophobicContact CG-CD1 4.44Å; D54-I60 HydrophobicContact CB-CD1 4.24Å; D54-I60 HydrophobicContact CB-CG1 3.73Å; P57-I60 PolarHBondContact O-N 3.06Å; T58-I60 PolarHBondContact O-N 3.01Å; I60-E62 VanDerWaalsContact C-N 3.27Å; I60-E62 PolarHBondContact O-N 3.5Å; I60-I63 HydrophobicContact CD1-CD1 4.38Å; I60-I63 WeakPolarHBondContact O-CA 3.48Å; I60-I63 WeakPolarHBondContact O-CB 3.41Å; I60-I63 PolarHBondContact O-N 2.85Å; I60-R64 HydrophobicContact CG2-CG 4.35Å; I60-R64 WeakPolarHBondContact O-CG 3.26Å; I60-R64 PolarHBondContact O-N 3.28Å; I60-L77 HydrophobicContact CG2-CB 3.71Å; I60-L77 HydrophobicContact CG2-CG 4.48Å; I60-T79 HydrophobicContact CB-CG2 3.32Å; I60-T79 HydrophobicContact CG1-CG2 3.5Å; I60-T79 VanDerWaalsContact CG1-CG2 3.5Å; I60-T79 HydrophobicContact CG2-CG2 3.54Å
61D94.3Very high93.7Very high57 Ų5762.4 Ų62.431%0.30533%0.328SS..Hα-helixtrans-67.4-28.7176.9-78.4-8.2000112P57 T58 I63 R64 N65P57-D61 WeakPolarHBondContact O-CB 3.36Å; P57-D61 PolarHBondContact O-N 2.82Å; T58-D61 PolarHBondContact O-N 3.12Å; D61-I63 VanDerWaalsContact C-N 3.27Å; D61-I63 PolarHBondContact O-N 3.2Å; D61-R64 PolarHBondContact O-N 3.08Å; D61-R64 WeakPolarHBondContact OD1-CD 3.05Å; D61-R64 IonicContact OD1-CZ 3.55Å; D61-R64 IonicContact OD1-NE 3.47Å; D61-R64 IonicContact OD1-NH1 3.6Å; D61-R64 PolarHBondContact OD1-NH1 3.27Å; D61-N65 WeakPolarHBondContact O-CB 3.31Å; D61-N65 PolarHBondContact O-N 3.03Å; D61-N65 PolarHBondContact O-ND2 3.41Å
62E94.4Very high93.7Very high135 Ų13558.2 Ų58.263%0.63130%0.302SS*.Hα-helixtrans-60.9-37.4168-68.8-179175.200111.9T58 I60 G66T58-E62 PolarHBondContact O-N 3.12Å; I60-E62 VanDerWaalsContact C-N 3.27Å; I60-E62 PolarHBondContact O-N 3.5Å; E62-G66 VanDerWaalsContact O-CA 3.25Å; E62-G66 WeakPolarHBondContact O-CA 3.4Å; E62-G66 PolarHBondContact O-N 3.16Å
63I93.4Very high93.7Very high9 Ų961 Ų615%0.04632%0.315CS..Hα-helixtrans-71.9-44.9176.2-57.8171.4000110.1F52 I60 D61 N65 G66 R69 F72 L77F52-I63 HydrophobicContact CD1-CD1 3.61Å; F52-I63 HydrophobicContact CE1-CD1 3.75Å; F52-I63 HydrophobicContact CG-CD1 4.07Å; F52-I63 HydrophobicContact CZ-CD1 4.34Å; I60-I63 HydrophobicContact CD1-CD1 4.38Å; I60-I63 WeakPolarHBondContact O-CA 3.48Å; I60-I63 WeakPolarHBondContact O-CB 3.41Å; I60-I63 PolarHBondContact O-N 2.85Å; D61-I63 VanDerWaalsContact C-N 3.27Å; D61-I63 PolarHBondContact O-N 3.2Å; I63-N65 PolarHBondContact O-N 3.26Å; I63-G66 PolarHBondContact O-N 3.25Å; I63-R69 WeakPolarHBondContact O-CA 3.49Å; I63-F72 HydrophobicContact CG2-CD2 3.61Å; I63-F72 HydrophobicContact CG2-CE2 3.73Å; I63-L77 HydrophobicContact CG2-CD1 4.26Å; I63-L77 HydrophobicContact CG2-CD2 4.26Å
64R94.4Very high93.5Very high84 Ų8462.4 Ų62.432%0.31733%0.326SS..Hα-helixtrans-63.7-26.7179.6-68.8174.3179.6156.9-0.9113.4I60 D61 R69 L77 T79I60-R64 HydrophobicContact CG2-CG 4.35Å; I60-R64 WeakPolarHBondContact O-CG 3.26Å; I60-R64 PolarHBondContact O-N 3.28Å; D61-R64 PolarHBondContact O-N 3.08Å; D61-R64 WeakPolarHBondContact OD1-CD 3.05Å; D61-R64 IonicContact OD1-CZ 3.55Å; D61-R64 IonicContact OD1-NE 3.47Å; D61-R64 IonicContact OD1-NH1 3.6Å; D61-R64 PolarHBondContact OD1-NH1 3.27Å; R64-R69 WeakPolarHBondContact O-CB 3.3Å; R64-L77 HydrophobicContact CG-CD1 3.64Å; R64-L77 PolarHBondContact NH2-O 3.03Å; R64-T79 PolarHBondContact NH2-OG1 3.22Å
65N94.4Very high93.4Very high127 Ų12767.7 Ų67.768%0.67935%0.349SS*.Hα-helixtrans-107.6-2.5179-62.3-57.8000113.2D61 I63D61-N65 WeakPolarHBondContact O-CB 3.31Å; D61-N65 PolarHBondContact O-N 3.03Å; D61-N65 PolarHBondContact O-ND2 3.41Å; I63-N65 PolarHBondContact O-N 3.26Å
66G93.5Very high93.5Very high18 Ų1868.2 Ų68.219%0.18635%0.351CS..SBendtrans-80.9-178.7-175.900000114.3E62 I63 Y68 R69E62-G66 VanDerWaalsContact O-CA 3.25Å; E62-G66 WeakPolarHBondContact O-CA 3.4Å; E62-G66 PolarHBondContact O-N 3.16Å; I63-G66 PolarHBondContact O-N 3.25Å; G66-Y68 PolarHBondContact O-N 3.46Å; G66-R69 VanDerWaalsContact O-CB 3.26Å; G66-R69 WeakPolarHBondContact O-CB 3.07Å; G66-R69 VanDerWaalsContact O-CG 3.31Å; G66-R69 WeakPolarHBondContact O-CG 3.25Å; G66-R69 PolarHBondContact O-N 3.42Å; G66-R69 VanDerWaalsContact O-N 3.12Å
67P92.9Very high93.6Very high106 Ų10665.7 Ų65.769%0.68834%0.339SS*.THydrogen-bonded Turntrans-57.4-36.7178.8-23.933.8000113.1P17 R69P17-P67 WeakPolarHBondContact CB-O 3.25Å; P67-R69 VanDerWaalsContact C-N 3.34Å; P67-R69 PolarHBondContact O-N 3.14Å
68Y93.4Very high93.7Very high17 Ų1766.4 Ų66.47%0.06734%0.34CS..THydrogen-bonded Turntrans-92.818.8-179.3-67.1-82.2000113.6E7 C10 P17 G66 Q70 L71E7-Y68 HydrophobicContact CB-CD2 4.47Å; E7-Y68 HydrophobicContact CB-CE2 3.71Å; E7-Y68 HydrophobicContact CG-CE2 3.76Å; C10-Y68 HydrophobicContact CB-CE1 3.92Å; P17-Y68 HydrophobicContact CB-CD1 3.81Å; P17-Y68 HydrophobicContact CB-CE1 3.88Å; P17-Y68 HydrophobicContact CB-CG 4.41Å; P17-Y68 HydrophobicContact CG-CD1 4.41Å; P17-Y68 HydrophobicContact CG-CE1 3.98Å; G66-Y68 PolarHBondContact O-N 3.46Å; Y68-Q70 PolarHBondContact O-N 3.17Å; Y68-L71 HydrophobicContact CD1-CB 4.26Å; Y68-L71 HydrophobicContact CD1-CD2 3.74Å; Y68-L71 HydrophobicContact CD1-CG 4.5Å; Y68-L71 HydrophobicContact CE1-CD2 4.49Å; Y68-L71 HydrophobicContact CG-CD2 4.37Å; Y68-L71 VanDerWaalsContact O-CB 3.25Å; Y68-L71 WeakPolarHBondContact O-CB 3.4Å; Y68-L71 PolarHBondContact O-N 2.88Å
69R94Very high93.7Very high142 Ų14264.9 Ų64.954%0.53633%0.331SS..THydrogen-bonded Turntrans-55.9-25.6-179.865.3-175.5-175.186.82.2114.6I63 R64 G66 P67I63-R69 WeakPolarHBondContact O-CA 3.49Å; R64-R69 WeakPolarHBondContact O-CB 3.3Å; G66-R69 VanDerWaalsContact O-CB 3.26Å; G66-R69 WeakPolarHBondContact O-CB 3.07Å; G66-R69 VanDerWaalsContact O-CG 3.31Å; G66-R69 WeakPolarHBondContact O-CG 3.25Å; G66-R69 PolarHBondContact O-N 3.42Å; G66-R69 VanDerWaalsContact O-N 3.12Å; P67-R69 VanDerWaalsContact C-N 3.34Å; P67-R69 PolarHBondContact O-N 3.14Å
70Q94.2Very high93.7Very high88 Ų8862 Ų6241%0.41132%0.315SS..THydrogen-bonded Turntrans-91.4-13.4179.3-63.4-172.435.900112.3D18 K45 Y68D18-Q70 HydrophobicContact CB-CB 4.45Å; K45-Q70 WeakPolarHBondContact CE-O 3.28Å; K45-Q70 PolarHBondContact NZ-O 3.42Å; Y68-Q70 PolarHBondContact O-N 3.17Å
71L94.7Very high93.4Very high0 Ų071.8 Ų71.80%036%0.358CS..THydrogen-bonded Turntrans-70.1-45.9-175.4-175.167.4000111.6C10 I15 P17 P48 Y68C10-L71 VanDerWaalsContact SG-CD2 3.52Å; I15-L71 HydrophobicContact CG2-CD1 4.28Å; P17-L71 PolarHBondContact O-N 3.19Å; P48-L71 WeakPolarHBondContact CD-O 3.41Å; P48-L71 HydrophobicContact CG-CD1 4.18Å; P48-L71 HydrophobicContact CG-CD2 3.69Å; P48-L71 HydrophobicContact CG-CG 3.61Å; Y68-L71 HydrophobicContact CD1-CB 4.26Å; Y68-L71 HydrophobicContact CD1-CD2 3.74Å; Y68-L71 HydrophobicContact CD1-CG 4.5Å; Y68-L71 HydrophobicContact CE1-CD2 4.49Å; Y68-L71 HydrophobicContact CG-CD2 4.37Å; Y68-L71 VanDerWaalsContact O-CB 3.25Å; Y68-L71 WeakPolarHBondContact O-CB 3.4Å; Y68-L71 PolarHBondContact O-N 2.88Å
72F93.9Very high93.1Very high7 Ų774.1 Ų74.13%0.03137%0.367CS..SBendtrans-87150.4-174.6-55.1-76.7000112.5W6 P48 F52 I63 L77W6-F72 HydrophobicContact CB-CE1 4.37Å; W6-F72 HydrophobicContact CB-CZ 3.9Å; W6-F72 HydrophobicContact CD2-CE1 4.4Å; W6-F72 AromaticContact CG-CE1 3.99Å; W6-F72 HydrophobicContact CG-CE1 3.99Å; W6-F72 AromaticContact CG-CZ 3.99Å; W6-F72 HydrophobicContact CG-CZ 3.99Å; P48-F72 HydrophobicContact CB-CD1 3.96Å; P48-F72 HydrophobicContact CB-CE1 3.8Å; P48-F72 HydrophobicContact CG-CD1 3.84Å; P48-F72 HydrophobicContact CG-CE1 3.62Å; P48-F72 HydrophobicContact CG-CZ 4.45Å; F52-F72 HydrophobicContact CD2-CD1 4.48Å; F52-F72 AromaticContact CE2-CD1 3.79Å; F52-F72 HydrophobicContact CE2-CD1 3.79Å; F52-F72 AromaticContact CE2-CE1 3.45Å; F52-F72 HydrophobicContact CE2-CE1 3.45Å; F52-F72 VanDerWaalsContact CE2-CE1 3.45Å; F52-F72 HydrophobicContact CE2-CG 4.47Å; F52-F72 AromaticContact CE2-CZ 3.86Å; F52-F72 HydrophobicContact CE2-CZ 3.86Å; F52-F72 AromaticContact CZ-CE1 3.98Å; F52-F72 HydrophobicContact CZ-CE1 3.98Å; F52-F72 AromaticContact CZ-CZ 3.98Å; F52-F72 HydrophobicContact CZ-CZ 3.98Å; I63-F72 HydrophobicContact CG2-CD2 3.61Å; I63-F72 HydrophobicContact CG2-CE2 3.73Å; F72-L77 HydrophobicContact CB-CD1 4.31Å; F72-L77 HydrophobicContact CB-CD2 4.23Å; F72-L77 HydrophobicContact CB-CG 4.31Å; F72-L77 HydrophobicContact CG-CD2 4.44Å
73H93.4Very high92.8Very high89 Ų8971.4 Ų71.441%0.41236%0.356SS..  trans-74.4135.3168.9-161.8-97.9000109.5V47 E75 Q76V47-H73 HydrophobicContact CG1-CB 4.37Å; H73-E75 IonicContact CE1-OE1 3.99Å; H73-E75 IonicContact CE1-OE2 3.76Å; H73-E75 PolarHBondContact CE1-OE2 3.38Å; H73-E75 WeakPolarHBondContact ND1-CB 3.45Å; H73-E75 PolarHBondContact ND1-N 2.83Å; H73-E75 IonicContact ND1-OE2 2.83Å; H73-E75 PolarHBondContact O-N 2.82Å; H73-E75 VanDerWaalsContact O-N 3.12Å; H73-Q76 HydrophobicContact CB-CG 3.95Å; H73-Q76 VanDerWaalsContact O-CB 3.28Å; H73-Q76 WeakPolarHBondContact O-CB 3.48Å; H73-Q76 PolarHBondContact O-N 2.87Å
74P91.8Very high92.5Very high96 Ų9672 Ų7262%0.62336%0.363SS*.G310 helixtrans-55.8-33.4-178.9-27.835.2000113.9Q76 L77P74-Q76 PolarHBondContact O-N 3.36Å; P74-L77 PolarHBondContact O-N 2.96Å; P74-L77 VanDerWaalsContact O-N 3.12Å
75E91.8Very high92.3Very high157 Ų15770.4 Ų70.473%0.73437%0.367SS*.G310 helixtrans-69.9-16.3177.3-58.9176.6172.600113.5H73 L77H73-E75 IonicContact CE1-OE1 3.99Å; H73-E75 IonicContact CE1-OE2 3.76Å; H73-E75 PolarHBondContact CE1-OE2 3.38Å; H73-E75 WeakPolarHBondContact ND1-CB 3.45Å; H73-E75 PolarHBondContact ND1-N 2.83Å; H73-E75 IonicContact ND1-OE2 2.83Å; H73-E75 PolarHBondContact O-N 2.82Å; H73-E75 VanDerWaalsContact O-N 3.12Å; E75-L77 VanDerWaalsContact C-N 3.27Å
76Q93.6Very high92Very high37 Ų3772.8 Ų72.817%0.17338%0.38CS..G310 helixtrans-82.7-6.1173.4-67.1170.8-32.900112.4P48 A50 V51 F52 H73 P74P48-Q76 PolarHBondContact O-NE2 3.42Å; P48-Q76 PolarHBondContact O-OE1 3.44Å; A50-Q76 VanDerWaalsContact O-CB 3.31Å; A50-Q76 WeakPolarHBondContact O-CB 3.37Å; A50-Q76 VanDerWaalsContact O-CG 3.24Å; A50-Q76 WeakPolarHBondContact O-CG 3.25Å; A50-Q76 PolarHBondContact O-NE2 3.24Å; V51-Q76 WeakPolarHBondContact CA-O 3.38Å; F52-Q76 PolarHBondContact N-O 2.94Å; H73-Q76 HydrophobicContact CB-CG 3.95Å; H73-Q76 VanDerWaalsContact O-CB 3.28Å; H73-Q76 WeakPolarHBondContact O-CB 3.48Å; H73-Q76 PolarHBondContact O-N 2.87Å; P74-Q76 PolarHBondContact O-N 3.36Å
77L94.9Very high91.9Very high10 Ų1075.7 Ų75.75%0.05239%0.391CS..EExtended strand (participates in β ladder)trans-111.487.3-176.9-59.8-175.8000109.4F52 I60 I63 R64 F72 P74 E75F52-L77 HydrophobicContact CB-CD2 3.87Å; F52-L77 HydrophobicContact CD2-CD2 3.64Å; F52-L77 HydrophobicContact CE2-CD2 4.48Å; F52-L77 HydrophobicContact CG-CD2 3.99Å; I60-L77 HydrophobicContact CG2-CB 3.71Å; I60-L77 HydrophobicContact CG2-CG 4.48Å; I63-L77 HydrophobicContact CG2-CD1 4.26Å; I63-L77 HydrophobicContact CG2-CD2 4.26Å; R64-L77 HydrophobicContact CG-CD1 3.64Å; R64-L77 PolarHBondContact NH2-O 3.03Å; F72-L77 HydrophobicContact CB-CD1 4.31Å; F72-L77 HydrophobicContact CB-CD2 4.23Å; F72-L77 HydrophobicContact CB-CG 4.31Å; F72-L77 HydrophobicContact CG-CD2 4.44Å; P74-L77 PolarHBondContact O-N 2.96Å; P74-L77 VanDerWaalsContact O-N 3.12Å; E75-L77 VanDerWaalsContact C-N 3.27Å
78I94.6Very high91.7Very high64 Ų6478.9 Ų78.933%0.32839%0.391SS..EExtended strand (participates in β ladder)trans-97.9128.6-171.7-57.5170000109.6V51 F52 V53 D54 I99V51-I78 HydrophobicContact CG1-CD1 3.9Å; F52-I78 PolarHBondContact O-N 2.89Å; V53-I78 WeakPolarHBondContact CA-O 3.32Å; V53-I78 HydrophobicContact CG1-CB 4.33Å; V53-I78 HydrophobicContact CG1-CG2 4.25Å; V53-I78 HydrophobicContact CG2-CB 4.3Å; V53-I78 HydrophobicContact CG2-CD1 4.29Å; D54-I78 PolarHBondContact N-O 3.46Å; I78-I99 HydrophobicContact CG2-CG2 3.58Å
79T94Very high91.5Very high45 Ų4580.2 Ų80.228%0.27641%0.406SS..EExtended strand (participates in β ladder)trans-132.3135.3-177.449.50000111.5D54 P57 I60 R64D54-T79 CarbonylContact O-C 3.58Å; D54-T79 VanDerWaalsContact O-CA 3.25Å; D54-T79 WeakPolarHBondContact O-CA 3.04Å; P57-T79 HydrophobicContact CB-CG2 4.41Å; I60-T79 HydrophobicContact CB-CG2 3.32Å; I60-T79 HydrophobicContact CG1-CG2 3.5Å; I60-T79 VanDerWaalsContact CG1-CG2 3.5Å; I60-T79 HydrophobicContact CG2-CG2 3.54Å; R64-T79 PolarHBondContact NH2-OG1 3.22Å
80G91.3Very high91.1Very high10 Ų1076.6 Ų76.610%0.10339%0.392CS..  trans-83.7-173.4165.600000113.8D54 L55D54-G80 PolarHBondContact O-N 3.34Å; L55-G80 CarbonylContact O-C 3.42Å; L55-G80 WeakPolarHBondContact O-CA 3.2Å
81K88.3Confident90.8Very high210 Ų21073.8 Ų73.891%0.91339%0.387SS*.SBendtrans-111.9-13.4175-64.8-178.3-178.8176.20113.3L55L55-K81 PolarHBondContact O-N 3.43Å
82E87.4Confident90.5Very high105 Ų10578.5 Ų78.549%0.49141%0.408SS..SBendtrans-139.7133.8-172-171.9174.2172.900109.2L55 R90 I95L55-E82 CarbonylContact C-O 3.57Å; L55-E82 WeakPolarHBondContact CB-O 3.39Å; L55-E82 CarbonylContact O-C 3.56Å; L55-E82 PolarHBondContact O-N 3.41Å; E82-R90 VanDerWaalsContact CD-NH2 3.29Å; E82-R90 IonicContact OE1-CZ 3.59Å; E82-R90 IonicContact OE1-NH1 3.85Å; E82-R90 IonicContact OE1-NH2 2.65Å; E82-R90 PolarHBondContact OE1-NH2 2.87Å; E82-I95 HydrophobicContact CG-CD1 4.43Å; E82-I95 VanDerWaalsContact O-CG2 3.27Å; E82-I95 WeakPolarHBondContact O-CG2 3.44Å
83D88Confident90.1Very high78 Ų7885.2 Ų85.242%0.41744%0.435SS..  trans-78.6171.6-177.276.33.6000113E56 A85 R90E56-D83 HydrophobicContact CB-CB 4.36Å; D83-A85 VanDerWaalsContact C-N 3.26Å; D83-A85 VanDerWaalsContact CG-N 3.31Å; D83-A85 WeakPolarHBondContact OD1-CA 3.34Å; D83-A85 WeakPolarHBondContact OD1-CB 3.4Å; D83-A85 PolarHBondContact OD1-N 3.48Å; D83-R90 PolarHBondContact O-NH2 3.29Å
84A87.6Confident89.8Confident23 Ų2384 Ų8419%0.1943%0.434CS..  trans-79.1-6.9169.400000113.3L55 N86 N87 R90L55-A84 HydrophobicContact CD1-CB 3.77Å; A84-N86 VanDerWaalsContact C-N 3.26Å; A84-N86 PolarHBondContact O-N 2.9Å; A84-N87 VanDerWaalsContact O-CB 3.32Å; A84-N87 WeakPolarHBondContact O-CB 3.44Å; A84-N87 PolarHBondContact O-N 2.87Å; A84-R90 HydrophobicContact CB-CB 4.32Å; A84-R90 WeakPolarHBondContact O-CB 3.34Å
85A91Very high89.5Confident49 Ų4980.4 Ų80.441%0.40541%0.409SS..THydrogen-bonded Turntrans46.743.7-174.100000113.9D83 N87D83-A85 VanDerWaalsContact C-N 3.26Å; D83-A85 VanDerWaalsContact CG-N 3.31Å; D83-A85 WeakPolarHBondContact OD1-CA 3.34Å; D83-A85 WeakPolarHBondContact OD1-CB 3.4Å; D83-A85 PolarHBondContact OD1-N 3.48Å; A85-N87 PolarHBondContact O-N 3.24Å; A85-N87 VanDerWaalsContact O-N 3.1Å
86N88.3Confident89Confident178 Ų17873.4 Ų73.495%0.95238%0.379SS*.THydrogen-bonded Turntrans56.719.9-174.6-59.7-58.2000115.1A84A84-N86 VanDerWaalsContact C-N 3.26Å; A84-N86 PolarHBondContact O-N 2.9Å
87N89.9Confident88.6Confident78 Ų7877.9 Ų77.942%0.41740%0.398SS..  trans-107115.9179.9-175.8-23.3000111A84 A85 A89 R90 G91A84-N87 VanDerWaalsContact O-CB 3.32Å; A84-N87 WeakPolarHBondContact O-CB 3.44Å; A84-N87 PolarHBondContact O-N 2.87Å; A85-N87 PolarHBondContact O-N 3.24Å; A85-N87 VanDerWaalsContact O-N 3.1Å; N87-A89 VanDerWaalsContact C-N 3.31Å; N87-A89 PolarHBondContact O-N 3.33Å; N87-A89 WeakPolarHBondContact OD1-CB 3.41Å; N87-A89 PolarHBondContact OD1-N 3.21Å; N87-R90 HydrophobicContact CB-CB 4.09Å; N87-R90 HydrophobicContact CB-CG 4.03Å; N87-R90 WeakPolarHBondContact O-CB 3.28Å; N87-R90 PolarHBondContact O-N 3.3Å; N87-R90 PolarHBondContact OD1-N 3.2Å; N87-G91 PolarHBondContact O-N 3.4Å; N87-G91 VanDerWaalsContact O-N 3.1Å
88Y90.1Very high88.1Confident173 Ų17384.7 Ų84.768%0.67843%0.429SS*.Hα-helixtrans-56.9-41.5178.3178.7-96.3000112.9R90 G91 H92Y88-R90 PolarHBondContact O-N 3.27Å; Y88-G91 PolarHBondContact O-N 3.42Å; Y88-H92 HydrophobicContact CE1-CB 4.08Å; Y88-H92 WeakPolarHBondContact O-CB 3.27Å; Y88-H92 PolarHBondContact O-N 2.83Å
89A88.2Confident87.4Confident46 Ų4684 Ų8438%0.3843%0.426SS..Hα-helixtrans-66.2-30.5179.700000111.9N87 Y93N87-A89 VanDerWaalsContact C-N 3.31Å; N87-A89 PolarHBondContact O-N 3.33Å; N87-A89 WeakPolarHBondContact OD1-CB 3.41Å; N87-A89 PolarHBondContact OD1-N 3.21Å; A89-Y93 HydrophobicContact CB-CD2 4.22Å; A89-Y93 WeakPolarHBondContact O-CB 3.2Å; A89-Y93 PolarHBondContact O-N 2.6Å
90R87Confident86.1Confident65 Ų6590.3 Ų90.325%0.24546%0.456CS..Iπ-helixtrans-67.4-48.8173-75.6-175.560.3154.32.6111.6E82 D83 A84 N87 Y88 H92 T94 I95 G96E82-R90 VanDerWaalsContact CD-NH2 3.29Å; E82-R90 IonicContact OE1-CZ 3.59Å; E82-R90 IonicContact OE1-NH1 3.85Å; E82-R90 IonicContact OE1-NH2 2.65Å; E82-R90 PolarHBondContact OE1-NH2 2.87Å; D83-R90 PolarHBondContact O-NH2 3.29Å; A84-R90 HydrophobicContact CB-CB 4.32Å; A84-R90 WeakPolarHBondContact O-CB 3.34Å; N87-R90 HydrophobicContact CB-CB 4.09Å; N87-R90 HydrophobicContact CB-CG 4.03Å; N87-R90 WeakPolarHBondContact O-CB 3.28Å; N87-R90 PolarHBondContact O-N 3.3Å; N87-R90 PolarHBondContact OD1-N 3.2Å; Y88-R90 PolarHBondContact O-N 3.27Å; R90-H92 VanDerWaalsContact C-N 3.31Å; R90-H92 PolarHBondContact O-N 3.27Å; R90-T94 VanDerWaalsContact CA-OG1 3.28Å; R90-T94 WeakPolarHBondContact CA-OG1 3.4Å; R90-T94 PolarHBondContact O-N 3.1Å; R90-T94 PolarHBondContact O-OG1 3.46Å; R90-I95 HydrophobicContact CB-CG1 4.4Å; R90-I95 PolarHBondContact O-N 3.06Å; R90-G96 PolarHBondContact O-N 2.88Å
91G87.4Confident85.9Confident29 Ų2994.4 Ų94.430%0.29947%0.474SS..Iπ-helixtrans-61.5-35.7176.800000113.4N87 Y88 G96N87-G91 PolarHBondContact O-N 3.4Å; N87-G91 VanDerWaalsContact O-N 3.1Å; Y88-G91 PolarHBondContact O-N 3.42Å; G91-G96 WeakPolarHBondContact O-CA 3.5Å; G91-G96 PolarHBondContact O-N 3.32Å
92H87.8Confident85.7Confident99 Ų9988.3 Ų88.346%0.45845%0.451SS..Iπ-helixtrans-94.5-42.9-174.2-169.381.4000114.4Y88 R90Y88-H92 HydrophobicContact CE1-CB 4.08Å; Y88-H92 WeakPolarHBondContact O-CB 3.27Å; Y88-H92 PolarHBondContact O-N 2.83Å; R90-H92 VanDerWaalsContact C-N 3.31Å; R90-H92 PolarHBondContact O-N 3.27Å
93Y85.3Confident85.6Confident149 Ų14987.3 Ų87.358%0.58445%0.448SS*.Iπ-helixtrans-107.8-19.9-167.3-64.9-73.6000115.2A89 K97A89-Y93 HydrophobicContact CB-CD2 4.22Å; A89-Y93 WeakPolarHBondContact O-CB 3.2Å; A89-Y93 PolarHBondContact O-N 2.6Å; Y93-K97 WeakPolarHBondContact O-CD 3.48Å
94T88.3Confident85.5Confident63 Ų6387.9 Ų87.939%0.38745%0.45SS..Iπ-helixtrans-121.6-67.8-172.452.40000112.5R90 K97R90-T94 VanDerWaalsContact CA-OG1 3.28Å; R90-T94 WeakPolarHBondContact CA-OG1 3.4Å; R90-T94 PolarHBondContact O-N 3.1Å; R90-T94 PolarHBondContact O-OG1 3.46Å; T94-K97 VanDerWaalsContact O-CE 3.3Å; T94-K97 WeakPolarHBondContact O-CE 3.45Å; T94-K97 WeakPolarHBondContact O-CG 3.32Å
95I84.9Confident85.4Confident20 Ų2091.9 Ų91.910%0.10347%0.467CS..SBendtrans-79.3-43-175.2-54.5-57.1000110.9L55 E82 R90 K97 E98L55-I95 HydrophobicContact CB-CG2 4.48Å; L55-I95 HydrophobicContact CD1-CB 4.47Å; L55-I95 HydrophobicContact CD1-CG2 4.1Å; L55-I95 HydrophobicContact CD2-CG2 4.45Å; E82-I95 HydrophobicContact CG-CD1 4.43Å; E82-I95 VanDerWaalsContact O-CG2 3.27Å; E82-I95 WeakPolarHBondContact O-CG2 3.44Å; R90-I95 HydrophobicContact CB-CG1 4.4Å; R90-I95 PolarHBondContact O-N 3.06Å; I95-K97 VanDerWaalsContact C-N 3.34Å; I95-K97 PolarHBondContact O-N 2.89Å; I95-E98 PolarHBondContact O-N 3.1Å
96G81.3Confident85Confident10 Ų1094.8 Ų94.810%0.10347%0.471CS..G310 helixtrans-65.6-32.1-177.500000114.7R90 G91 E98 I99 I100R90-G96 PolarHBondContact O-N 2.88Å; G91-G96 WeakPolarHBondContact O-CA 3.5Å; G91-G96 PolarHBondContact O-N 3.32Å; G96-E98 PolarHBondContact O-N 3.22Å; G96-I99 PolarHBondContact O-N 2.65Å; G96-I99 VanDerWaalsContact O-N 3.13Å; G96-I100 PolarHBondContact O-N 2.93Å; G96-I100 VanDerWaalsContact O-N 3.08Å
97K85.5Confident84.7Confident132 Ų13288.9 Ų88.957%0.57444%0.436SS*.G310 helixtrans-66.6-13.8176.764.6158.6-170-161.60114.2Y93 T94 I95 I99Y93-K97 WeakPolarHBondContact O-CD 3.48Å; T94-K97 VanDerWaalsContact O-CE 3.3Å; T94-K97 WeakPolarHBondContact O-CE 3.45Å; T94-K97 WeakPolarHBondContact O-CG 3.32Å; I95-K97 VanDerWaalsContact C-N 3.34Å; I95-K97 PolarHBondContact O-N 2.89Å; K97-I99 VanDerWaalsContact C-N 3.3Å
98E83.2Confident84.4Confident153 Ų15389.7 Ų89.772%0.71544%0.438SS*.G310 helixtrans-84.5-13.1177.8-63.6-174.3176.800111.6I95 G96I95-E98 PolarHBondContact O-N 3.1Å; G96-E98 PolarHBondContact O-N 3.22Å
99I80.3Confident83.9Confident50 Ų5082.8 Ų82.826%0.25642%0.418SS..THydrogen-bonded Turntrans-115.1-32.3-173.4-56.3-171.2000111.7V53 L55 I78 G96 K97V53-I99 HydrophobicContact CG1-CG2 4.17Å; L55-I99 HydrophobicContact CD2-CD1 3.65Å; L55-I99 HydrophobicContact CD2-CG1 4.47Å; I78-I99 HydrophobicContact CG2-CG2 3.58Å; G96-I99 PolarHBondContact O-N 2.65Å; G96-I99 VanDerWaalsContact O-N 3.13Å; K97-I99 VanDerWaalsContact C-N 3.3Å
100I67.5Low83.5Confident177 Ų17786.1 Ų86.191%0.90842%0.421SS*.  trans-123.40-178.9-48.4178000110.1V53 G96V53-I100 HydrophobicContact CG1-CD1 4.19Å; V53-I100 HydrophobicContact CG1-CG1 4.45Å; G96-I100 PolarHBondContact O-N 2.93Å; G96-I100 VanDerWaalsContact O-N 3.08Å

Retrieved 100 of 100 residues in 201.4 ms (Link to these results)

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