A0A087XWJ1_POEFO Loading...

Sulfhydryl oxidase

Catalyzes the oxidation of sulfhydryl groups in peptide and protein thiols to disulfides with the reduction of oxygen to hydrogen peroxide.

AlphaFold DB , UniProt , Accession A0A087XWJ1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 579 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
1V84.6Confident88.5Confident69 Ų6956.9 Ų56.942%0.41837%0.37SS..  00.40-58.90000112.7D3 W4 R62 M65V1-D3 PolarHBondContact O-N 3.32Å; V1-W4 HydrophobicContact CB-CD2 3.84Å; V1-W4 HydrophobicContact CB-CE3 4Å; V1-W4 HydrophobicContact CB-CG 4.1Å; V1-W4 HydrophobicContact CG1-CD2 3.79Å; V1-W4 HydrophobicContact CG1-CE3 3.78Å; V1-W4 HydrophobicContact CG1-CH2 4.08Å; V1-W4 HydrophobicContact CG1-CZ2 4.04Å; V1-W4 HydrophobicContact CG1-CZ3 3.93Å; V1-W4 VanDerWaalsContact O-CB 3.25Å; V1-W4 WeakPolarHBondContact O-CB 3.36Å; V1-W4 PolarHBondContact O-N 3.33Å; V1-R62 HydrophobicContact CG1-CG 4.33Å; V1-M65 HydrophobicContact CB-CE 4.2Å; V1-M65 HydrophobicContact CG2-CE 4.13Å; V1-M65 HydrophobicContact CG2-SD 4.45Å
2S85.1Confident88.4Confident92 Ų9263.8 Ų63.864%0.64341%0.409SS*.G310 helixtrans-56-33.2167.841.30000113.2W4 H5S2-W4 PolarHBondContact O-N 2.91Å; S2-H5 PolarHBondContact O-ND1 2.65Å; S2-H5 VanDerWaalsContact O-ND1 3.09Å
3D88Confident88.2Confident23 Ų2366.2 Ų66.212%0.12342%0.416CS..G310 helixtrans-66.6-7.3173.3-61.1-48.2000113.8V1 Q125 R180 R187V1-D3 PolarHBondContact O-N 3.32Å; D3-Q125 VanDerWaalsContact CA-NE2 3.28Å; D3-Q125 PolarHBondContact O-NE2 3.19Å; D3-R180 VanDerWaalsContact CG-NH2 3.31Å; D3-R180 IonicContact OD2-CZ 3.68Å; D3-R180 IonicContact OD2-NH1 3.03Å; D3-R180 PolarHBondContact OD2-NH1 3Å; D3-R180 IonicContact OD2-NH2 3.28Å; D3-R180 PolarHBondContact OD2-NH2 3.41Å; D3-R187 IonicContact OD1-CZ 3.71Å; D3-R187 IonicContact OD1-NE 3.88Å; D3-R187 IonicContact OD1-NH2 3.97Å; D3-R187 PolarHBondContact OD1-NH2 3.36Å
4W92.5Very high87.8Confident0 Ų066.8 Ų66.80%042%0.415CS..G310 helixtrans-98-0.2-176-55.61.6000113.4V1 S2 E6 A7 I8 R62 M65 V66 E118 L121 D122V1-W4 HydrophobicContact CB-CD2 3.84Å; V1-W4 HydrophobicContact CB-CE3 4Å; V1-W4 HydrophobicContact CB-CG 4.1Å; V1-W4 HydrophobicContact CG1-CD2 3.79Å; V1-W4 HydrophobicContact CG1-CE3 3.78Å; V1-W4 HydrophobicContact CG1-CH2 4.08Å; V1-W4 HydrophobicContact CG1-CZ2 4.04Å; V1-W4 HydrophobicContact CG1-CZ3 3.93Å; V1-W4 VanDerWaalsContact O-CB 3.25Å; V1-W4 WeakPolarHBondContact O-CB 3.36Å; V1-W4 PolarHBondContact O-N 3.33Å; S2-W4 PolarHBondContact O-N 2.91Å; W4-E6 VanDerWaalsContact C-N 3.27Å; W4-E6 PolarHBondContact O-N 3.46Å; W4-E6 VanDerWaalsContact O-N 3.08Å; W4-A7 WeakPolarHBondContact O-CA 3.41Å; W4-A7 PolarHBondContact O-N 2.93Å; W4-I8 CarbonylContact C-O 3.56Å; W4-I8 HydrophobicContact CB-CG2 4.16Å; W4-I8 HydrophobicContact CE3-CG2 4.08Å; W4-I8 PolarHBondContact O-N 3.33Å; W4-R62 HydrophobicContact CH2-CG 3.54Å; W4-R62 HydrophobicContact CZ2-CG 4.32Å; W4-R62 HydrophobicContact CZ3-CG 4.1Å; W4-M65 HydrophobicContact CE3-CE 4.08Å; W4-M65 HydrophobicContact CZ3-CB 4.06Å; W4-V66 HydrophobicContact CH2-CG2 3.64Å; W4-V66 HydrophobicContact CZ3-CG2 3.88Å; W4-E118 HydrophobicContact CH2-CB 4.5Å; W4-E118 HydrophobicContact CH2-CG 4.12Å; W4-E118 HydrophobicContact CZ2-CB 4.16Å; W4-E118 HydrophobicContact CZ2-CG 4.27Å; W4-L121 VanDerWaalsContact CD1-C 3.41Å; W4-L121 HydrophobicContact CD2-CB 3.71Å; W4-L121 HydrophobicContact CD2-CD1 4.05Å; W4-L121 HydrophobicContact CD2-CG 4.49Å; W4-L121 VanDerWaalsContact CE2-CB 3.46Å; W4-L121 HydrophobicContact CE3-CB 4.38Å; W4-L121 HydrophobicContact CE3-CD1 3.85Å; W4-L121 HydrophobicContact CG-CB 3.85Å; W4-L121 HydrophobicContact CH2-CD1 3.92Å; W4-L121 HydrophobicContact CZ2-CB 3.92Å; W4-L121 HydrophobicContact CZ2-CD1 4.15Å; W4-L121 HydrophobicContact CZ3-CD1 3.78Å; W4-D122 PolarHBondContact NE1-OD1 3.45Å
5H89Confident87.4Confident66 Ų6663.1 Ų63.131%0.30639%0.393SS..THydrogen-bonded Turntrans-59.5-27.6-163.767.5-113000115.8S2 A7 I8 Q125S2-H5 PolarHBondContact O-ND1 2.65Å; S2-H5 VanDerWaalsContact O-ND1 3.09Å; H5-A7 PolarHBondContact O-N 3.01Å; H5-I8 WeakPolarHBondContact CA-O 3.32Å; H5-Q125 PolarHBondContact CE1-NE2 3.32Å; H5-Q125 PolarHBondContact CE1-OE1 2.76Å; H5-Q125 PolarHBondContact ND1-NE2 3.2Å
6E87.8Confident86.7Confident66 Ų6661.3 Ų61.331%0.30839%0.386SS..THydrogen-bonded Turntrans-69.8-19.9174.9-60.4-175.5-149.500113.2W4 S80 L124W4-E6 VanDerWaalsContact C-N 3.27Å; W4-E6 PolarHBondContact O-N 3.46Å; W4-E6 VanDerWaalsContact O-N 3.08Å; E6-S80 WeakPolarHBondContact OE2-CB 3.35Å; E6-S80 PolarHBondContact OE2-OG 3.21Å; E6-L124 HydrophobicContact CB-CD2 4.07Å; E6-L124 HydrophobicContact CB-CG 4.48Å
7A90.3Very high86.1Confident11 Ų1161.4 Ų61.49%0.09138%0.38CS..THydrogen-bonded Turntrans-103.2-44.4174.300000111.9W4 H5 L69 P78 C81 L121 L124W4-A7 WeakPolarHBondContact O-CA 3.41Å; W4-A7 PolarHBondContact O-N 2.93Å; H5-A7 PolarHBondContact O-N 3.01Å; A7-L69 HydrophobicContact CB-CD1 4.03Å; A7-L69 HydrophobicContact CB-CD2 4.3Å; A7-L69 WeakPolarHBondContact O-CD2 3.27Å; A7-P78 WeakPolarHBondContact O-CG 3.33Å; A7-C81 HydrophobicContact CB-CB 3.94Å; A7-L121 HydrophobicContact CB-CD2 4.17Å; A7-L124 HydrophobicContact CB-CD2 3.78Å
8I89.3Confident85.2Confident17 Ų1762.1 Ų62.19%0.08738%0.378CS..  trans-152.4128.3179.5-171.4163.8000111.4W4 H5 F37 M65 I68 L69W4-I8 CarbonylContact C-O 3.56Å; W4-I8 HydrophobicContact CB-CG2 4.16Å; W4-I8 HydrophobicContact CE3-CG2 4.08Å; W4-I8 PolarHBondContact O-N 3.33Å; H5-I8 WeakPolarHBondContact CA-O 3.32Å; I8-F37 HydrophobicContact CD1-CD2 4.45Å; I8-F37 HydrophobicContact CD1-CE2 4.04Å; I8-M65 HydrophobicContact CB-CE 4.49Å; I8-M65 HydrophobicContact CD1-CB 4Å; I8-M65 HydrophobicContact CD1-CE 4.3Å; I8-M65 HydrophobicContact CD1-CG 3.99Å; I8-M65 HydrophobicContact CG1-CE 4.14Å; I8-M65 HydrophobicContact CG2-CE 3.65Å; I8-I68 HydrophobicContact CD1-CG2 4.26Å; I8-L69 HydrophobicContact CB-CD1 4.18Å; I8-L69 HydrophobicContact CB-CD2 4.24Å; I8-L69 HydrophobicContact CB-CG 4.34Å; I8-L69 HydrophobicContact CG2-CD1 3.73Å; I8-L69 HydrophobicContact CG2-CG 4.35Å
9A89.6Confident84.9Confident75 Ų7567.4 Ų67.462%0.6240%0.399SS*.  trans-106.9159.7175.400000111.3
10V88.7Confident84.8Confident109 Ų10965.7 Ų65.766%0.66139%0.387SS*.  trans-120.7126.9171.2-179.20000107.4M65V10-M65 HydrophobicContact CG2-CE 3.8Å; V10-M65 HydrophobicContact CG2-SD 4.24Å
11A88.8Confident84.3Confident98 Ų9863.6 Ų63.681%0.8137%0.373SS*.  trans-123.5161.1176.900000110.1
12V87.6Confident84.1Confident139 Ų13965.4 Ų65.484%0.84238%0.377SS*.  trans-131145.4175.7-65.80000109.3
13L86Confident84.1Confident95 Ų9564 Ų6450%0.49737%0.365SS..  trans-133.9124175-176.569.7000107.7C15 N20 V23L13-C15 PolarHBondContact O-N 3.35Å; L13-N20 HydrophobicContact CD1-CB 4.32Å; L13-N20 HydrophobicContact CG-CB 4.44Å; L13-V23 HydrophobicContact CD2-CB 4.45Å; L13-V23 HydrophobicContact CD2-CG1 3.85Å
14D82.3Confident83.9Confident75 Ų7563.2 Ų63.240%0.40136%0.361SS..  trans-87.594.7179.3-175.111.8000111A16 Q17 N20D14-A16 PolarHBondContact O-N 3.39Å; D14-A16 VanDerWaalsContact OD1-CB 3.25Å; D14-A16 WeakPolarHBondContact OD1-CB 3.33Å; D14-A16 PolarHBondContact OD1-N 3.02Å; D14-Q17 HydrophobicContact CB-CG 4.15Å; D14-Q17 PolarHBondContact O-N 2.85Å; D14-Q17 WeakPolarHBondContact OD2-CG 3.21Å; D14-Q17 PolarHBondContact OD2-NE2 3.03Å; D14-N20 WeakPolarHBondContact O-CB 3.4Å; D14-N20 PolarHBondContact O-ND2 3.46Å
15C81.2Confident83.2Confident12 Ų1266.2 Ų66.28%0.08137%0.374CS..THydrogen-bonded Turntrans-70.9-2.5176.1-63.80000114.6L13 Q17 C24 F32L13-C15 PolarHBondContact O-N 3.35Å; C15-Q17 VanDerWaalsContact C-N 3.3Å; C15-C24 WeakPolarHBondContact CA-SG 3.37Å; C15-C24 HydrophobicContact CB-CB 3.74Å; C15-C24 WeakPolarHBondContact CB-SG 3.27Å; C15-C24 WeakPolarHBondContact SG-CB 3.22Å; C15-C24 CovalentContact SG-SG 2.03Å; C15-C24 PolarHBondContact SG-SG 3.35Å; C15-F32 HydrophobicContact CB-CD1 4.34Å; C15-F32 HydrophobicContact CB-CE1 3.34Å; C15-F32 HydrophobicContact CB-CZ 3.68Å
16A75.8Confident83Confident34 Ų3468.3 Ų68.328%0.28138%0.384SS..THydrogen-bonded Turntrans-78.5-15.3170.600000112.8D14 Y227D14-A16 PolarHBondContact O-N 3.39Å; D14-A16 VanDerWaalsContact OD1-CB 3.25Å; D14-A16 WeakPolarHBondContact OD1-CB 3.33Å; D14-A16 PolarHBondContact OD1-N 3.02Å; A16-Y227 WeakPolarHBondContact CA-OH 3.21Å; A16-Y227 WeakPolarHBondContact CB-OH 3.41Å
17Q76.9Confident82.8Confident62 Ų6267.4 Ų67.429%0.2938%0.379SS..SBendtrans-82.9133.5175.5-51-56.1-31.500110.9D14 C15 E19 N20D14-Q17 HydrophobicContact CB-CG 4.15Å; D14-Q17 PolarHBondContact O-N 2.85Å; D14-Q17 WeakPolarHBondContact OD2-CG 3.21Å; D14-Q17 PolarHBondContact OD2-NE2 3.03Å; C15-Q17 VanDerWaalsContact C-N 3.3Å; Q17-E19 HydrophobicContact CB-CG 3.81Å; Q17-E19 PolarHBondContact O-N 2.7Å; Q17-N20 PolarHBondContact O-N 3.49Å
18E70.6Confident82.3Confident74 Ų7475.2 Ų75.235%0.34641%0.406SS..G310 helixtrans-60.1-31.8-179.2-170.9175.2-165.700112.3N20 F21 H226 R230E18-N20 VanDerWaalsContact C-N 3.31Å; E18-N20 PolarHBondContact O-N 3.35Å; E18-F21 VanDerWaalsContact O-CB 3.22Å; E18-F21 WeakPolarHBondContact O-CB 3.3Å; E18-F21 PolarHBondContact O-N 3.2Å; E18-H226 IonicContact OE1-NE2 2.76Å; E18-H226 IonicContact OE2-NE2 3.24Å; E18-R230 WeakPolarHBondContact OE1-CD 3.35Å; E18-R230 IonicContact OE1-CZ 3.17Å; E18-R230 IonicContact OE1-NE 2.65Å; E18-R230 IonicContact OE1-NH1 3.5Å; E18-R230 PolarHBondContact OE1-NH1 2.98Å; E18-R230 IonicContact OE2-NH1 2.75Å
19E78.4Confident81.9Confident164 Ų16475.5 Ų75.577%0.76641%0.407SS*.G310 helixtrans-62.6-31.9175.655.5176.6-154.100114Q17Q17-E19 HydrophobicContact CB-CG 3.81Å; Q17-E19 PolarHBondContact O-N 2.7Å
20N83.1Confident80.9Confident33 Ų3375.6 Ų75.618%0.17639%0.392CS..G310 helixtrans-88.4-6.5-179.1-67.5-41.4000112.7L13 D14 Q17 E18 E22 V23 C24L13-N20 HydrophobicContact CD1-CB 4.32Å; L13-N20 HydrophobicContact CG-CB 4.44Å; D14-N20 WeakPolarHBondContact O-CB 3.4Å; D14-N20 PolarHBondContact O-ND2 3.46Å; Q17-N20 PolarHBondContact O-N 3.49Å; E18-N20 VanDerWaalsContact C-N 3.31Å; E18-N20 PolarHBondContact O-N 3.35Å; N20-E22 PolarHBondContact O-N 3.1Å; N20-V23 PolarHBondContact O-N 3.01Å; N20-C24 PolarHBondContact O-N 3.4Å; N20-C24 PolarHBondContact O-SG 3.47Å
21F75.4Confident79.9Confident21 Ų2173.9 Ų73.99%0.09238%0.379CS..Hα-helixtrans-55.1-53-170.5169-101.4000113.6E18 V23 C24 K25 A234E18-F21 VanDerWaalsContact O-CB 3.22Å; E18-F21 WeakPolarHBondContact O-CB 3.3Å; E18-F21 PolarHBondContact O-N 3.2Å; F21-V23 VanDerWaalsContact C-N 3.27Å; F21-V23 PolarHBondContact O-N 3.48Å; F21-C24 PolarHBondContact O-N 3.02Å; F21-K25 HydrophobicContact CE1-CB 4.43Å; F21-K25 HydrophobicContact CE1-CD 3.79Å; F21-K25 HydrophobicContact CE2-CB 4.19Å; F21-K25 HydrophobicContact CZ-CB 3.93Å; F21-K25 HydrophobicContact CZ-CD 3.64Å; F21-K25 HydrophobicContact CZ-CG 4.04Å; F21-K25 WeakPolarHBondContact O-CB 3.25Å; F21-K25 PolarHBondContact O-N 2.94Å; F21-A234 HydrophobicContact CD2-CB 4.2Å; F21-A234 HydrophobicContact CE1-CB 4.09Å; F21-A234 VanDerWaalsContact CE2-C 3.45Å; F21-A234 HydrophobicContact CE2-CB 3.28Å; F21-A234 WeakPolarHBondContact CE2-O 3.42Å; F21-A234 HydrophobicContact CZ-CB 3.23Å; F21-A234 VanDerWaalsContact CZ-O 3.27Å; F21-A234 WeakPolarHBondContact CZ-O 2.99Å
22E79.1Confident79.1Confident107 Ų10772.7 Ų72.750%0.536%0.356SS..Hα-helixtrans-65.4-32.7-175.5-68.7-6616500111.6N20 K25 E26N20-E22 PolarHBondContact O-N 3.1Å; E22-K25 IonicContact OE1-NZ 2.69Å; E22-K25 PolarHBondContact OE1-NZ 2.84Å; E22-K25 WeakPolarHBondContact OE2-CD 3.34Å; E22-K25 IonicContact OE2-NZ 2.87Å; E22-K25 PolarHBondContact OE2-NZ 2.83Å; E22-E26 VanDerWaalsContact O-CB 3.31Å; E22-E26 WeakPolarHBondContact O-CB 3.09Å; E22-E26 PolarHBondContact O-N 3.01Å
23V85.5Confident78.3Confident64 Ų6471.6 Ų71.639%0.38835%0.345SS..Hα-helixtrans-65.7-50.9172.8179.90000110.2L13 N20 F21 K25 E26 F27L13-V23 HydrophobicContact CD2-CB 4.45Å; L13-V23 HydrophobicContact CD2-CG1 3.85Å; N20-V23 PolarHBondContact O-N 3.01Å; F21-V23 VanDerWaalsContact C-N 3.27Å; F21-V23 PolarHBondContact O-N 3.48Å; V23-K25 VanDerWaalsContact C-N 3.25Å; V23-K25 PolarHBondContact O-N 3.38Å; V23-E26 PolarHBondContact O-N 2.94Å; V23-E26 VanDerWaalsContact O-N 3.12Å; V23-F27 HydrophobicContact CG1-CD2 3.96Å; V23-F27 HydrophobicContact CG1-CE2 4.18Å; V23-F27 WeakPolarHBondContact O-CD2 3.33Å; V23-F27 PolarHBondContact O-N 3.34Å
24C83.9Confident77.8Confident5 Ų569 Ų693%0.03433%0.333CS..Hα-helixtrans-59.5-38.3-180-64.50000112.1C15 N20 F21 F27 R28 I29C15-C24 WeakPolarHBondContact CA-SG 3.37Å; C15-C24 HydrophobicContact CB-CB 3.74Å; C15-C24 WeakPolarHBondContact CB-SG 3.27Å; C15-C24 WeakPolarHBondContact SG-CB 3.22Å; C15-C24 CovalentContact SG-SG 2.03Å; C15-C24 PolarHBondContact SG-SG 3.35Å; N20-C24 PolarHBondContact O-N 3.4Å; N20-C24 PolarHBondContact O-SG 3.47Å; F21-C24 PolarHBondContact O-N 3.02Å; C24-F27 CarbonylContact O-C 3.6Å; C24-R28 PolarHBondContact O-N 2.84Å; C24-R28 VanDerWaalsContact O-N 3.12Å; C24-I29 HydrophobicContact CB-CB 4.25Å; C24-I29 WeakPolarHBondContact O-CB 3.33Å; C24-I29 PolarHBondContact O-N 3.33Å
25K78.8Confident77.8Confident63 Ų6366.7 Ų66.727%0.27433%0.328SS..Hα-helixtrans-66.8-43.9172.9-179.2-155.4-169.41750113.2F21 E22 V23 F27 R28 W30F21-K25 HydrophobicContact CE1-CB 4.43Å; F21-K25 HydrophobicContact CE1-CD 3.79Å; F21-K25 HydrophobicContact CE2-CB 4.19Å; F21-K25 HydrophobicContact CZ-CB 3.93Å; F21-K25 HydrophobicContact CZ-CD 3.64Å; F21-K25 HydrophobicContact CZ-CG 4.04Å; F21-K25 WeakPolarHBondContact O-CB 3.25Å; F21-K25 PolarHBondContact O-N 2.94Å; E22-K25 IonicContact OE1-NZ 2.69Å; E22-K25 PolarHBondContact OE1-NZ 2.84Å; E22-K25 WeakPolarHBondContact OE2-CD 3.34Å; E22-K25 IonicContact OE2-NZ 2.87Å; E22-K25 PolarHBondContact OE2-NZ 2.83Å; V23-K25 VanDerWaalsContact C-N 3.25Å; V23-K25 PolarHBondContact O-N 3.38Å; K25-F27 VanDerWaalsContact C-N 3.28Å; K25-F27 PolarHBondContact O-N 2.87Å; K25-R28 WeakPolarHBondContact O-CA 3.42Å; K25-R28 PolarHBondContact O-N 3.38Å; K25-W30 HydrophobicContact CB-CZ3 4.26Å; K25-W30 HydrophobicContact CG-CH2 4.19Å; K25-W30 HydrophobicContact CG-CZ3 4.09Å
26E83.9Confident78Confident111 Ų11168.9 Ų68.952%0.51933%0.334SS..Hα-helixtrans-61-38.8177.1-163.7-162.9161.100111.6E22 V23 R28 K47E22-E26 VanDerWaalsContact O-CB 3.31Å; E22-E26 WeakPolarHBondContact O-CB 3.09Å; E22-E26 PolarHBondContact O-N 3.01Å; V23-E26 PolarHBondContact O-N 2.94Å; V23-E26 VanDerWaalsContact O-N 3.12Å; E26-R28 VanDerWaalsContact C-N 3.25Å; E26-R28 PolarHBondContact O-N 2.82Å; E26-K47 VanDerWaalsContact CD-NZ 3.28Å; E26-K47 IonicContact OE1-NZ 3.48Å; E26-K47 PolarHBondContact OE1-NZ 2.9Å
27F84.3Confident78.6Confident46 Ų4669.3 Ų69.320%0.20233%0.33CS..THydrogen-bonded Turntrans-84.48.6173.8-74.4-94.8000113.7V23 C24 K25 I29 R36 F38 K47V23-F27 HydrophobicContact CG1-CD2 3.96Å; V23-F27 HydrophobicContact CG1-CE2 4.18Å; V23-F27 WeakPolarHBondContact O-CD2 3.33Å; V23-F27 PolarHBondContact O-N 3.34Å; C24-F27 CarbonylContact O-C 3.6Å; K25-F27 VanDerWaalsContact C-N 3.28Å; K25-F27 PolarHBondContact O-N 2.87Å; F27-I29 VanDerWaalsContact C-N 3.3Å; F27-I29 HydrophobicContact CB-CD1 4.48Å; F27-I29 HydrophobicContact CB-CG1 4.13Å; F27-I29 PolarHBondContact O-N 3.36Å; F27-R36 PolarHBondContact O-NE 3.15Å; F27-R36 PolarHBondContact O-NH2 3.12Å; F27-F38 HydrophobicContact CD1-CE1 4.29Å; F27-F38 AromaticContact CD1-CZ 3.89Å; F27-F38 HydrophobicContact CD1-CZ 3.89Å; F27-F38 AromaticContact CE1-CE1 3.73Å; F27-F38 HydrophobicContact CE1-CE1 3.73Å; F27-F38 AromaticContact CE1-CZ 3.64Å; F27-F38 HydrophobicContact CE1-CZ 3.64Å; F27-K47 HydrophobicContact CD1-CB 4.16Å; F27-K47 HydrophobicContact CD1-CD 3.64Å; F27-K47 HydrophobicContact CD2-CD 4.41Å; F27-K47 HydrophobicContact CE1-CD 3.63Å; F27-K47 HydrophobicContact CE2-CD 4.4Å; F27-K47 HydrophobicContact CG-CD 4.06Å; F27-K47 HydrophobicContact CZ-CD 4.03Å
28R79.8Confident79.1Confident176 Ų17670.3 Ų70.366%0.66433%0.333SS*.THydrogen-bonded Turntrans49.848.8176.9-54.2-178.5-173.7179.80.8112.1C24 K25 E26 W30C24-R28 PolarHBondContact O-N 2.84Å; C24-R28 VanDerWaalsContact O-N 3.12Å; K25-R28 WeakPolarHBondContact O-CA 3.42Å; K25-R28 PolarHBondContact O-N 3.38Å; E26-R28 VanDerWaalsContact C-N 3.25Å; E26-R28 PolarHBondContact O-N 2.82Å; R28-W30 HydrophobicContact CB-CD2 4.42Å; R28-W30 HydrophobicContact CB-CH2 4.4Å; R28-W30 HydrophobicContact CB-CZ2 3.76Å; R28-W30 HydrophobicContact CG-CH2 4.41Å; R28-W30 HydrophobicContact CG-CZ2 3.87Å
29I79.3Confident79.9Confident22 Ų2268.7 Ų68.711%0.11333%0.328CS..  trans-90.796.9174.4-53.3-60.9000107.7C24 F27 F32 T34 R36C24-I29 HydrophobicContact CB-CB 4.25Å; C24-I29 WeakPolarHBondContact O-CB 3.33Å; C24-I29 PolarHBondContact O-N 3.33Å; F27-I29 VanDerWaalsContact C-N 3.3Å; F27-I29 HydrophobicContact CB-CD1 4.48Å; F27-I29 HydrophobicContact CB-CG1 4.13Å; F27-I29 PolarHBondContact O-N 3.36Å; I29-F32 HydrophobicContact CG2-CD1 4.19Å; I29-F32 HydrophobicContact CG2-CE1 3.75Å; I29-T34 HydrophobicContact CD1-CG2 3.9Å; I29-R36 HydrophobicContact CD1-CG 4.3Å; I29-R36 VanDerWaalsContact CD1-NE 3.26Å
30W69.1Low80.2Confident78 Ų7862 Ų6230%0.29530%0.301SS..  trans-103.5-17.4-178.3-41.6142.1000113K25 R28 A235K25-W30 HydrophobicContact CB-CZ3 4.26Å; K25-W30 HydrophobicContact CG-CH2 4.19Å; K25-W30 HydrophobicContact CG-CZ3 4.09Å; R28-W30 HydrophobicContact CB-CD2 4.42Å; R28-W30 HydrophobicContact CB-CH2 4.4Å; R28-W30 HydrophobicContact CB-CZ2 3.76Å; R28-W30 HydrophobicContact CG-CH2 4.41Å; R28-W30 HydrophobicContact CG-CZ2 3.87Å; W30-A235 HydrophobicContact CE3-CB 3.93Å; W30-A235 HydrophobicContact CZ3-CB 4.48Å; W30-A235 WeakPolarHBondContact CZ3-O 3.3Å
31D68.6Low80.2Confident72 Ų7266.9 Ų66.939%0.38532%0.323SS..SBendtrans-126.8139.2-173.2-64.50.7000110.5T34 K372D31-T34 WeakPolarHBondContact O-CB 3.39Å; D31-T34 PolarHBondContact O-N 3.03Å; D31-T34 PolarHBondContact O-OG1 3.12Å; D31-K372 HydrophobicContact CB-CG 4.06Å; D31-K372 WeakPolarHBondContact OD1-CE 3.38Å; D31-K372 IonicContact OD1-NZ 2.79Å; D31-K372 PolarHBondContact OD1-NZ 2.95Å
32F71.9Confident80.7Confident74 Ų7468.2 Ų68.233%0.32534%0.335SS..BIsolated β-bridgetrans-111132.4175.2-51.8-55.3000111.2C15 I29 G370C15-F32 HydrophobicContact CB-CD1 4.34Å; C15-F32 HydrophobicContact CB-CE1 3.34Å; C15-F32 HydrophobicContact CB-CZ 3.68Å; I29-F32 HydrophobicContact CG2-CD1 4.19Å; I29-F32 HydrophobicContact CG2-CE1 3.75Å; F32-G370 PolarHBondContact N-O 2.62Å; F32-G370 VanDerWaalsContact N-O 3.09Å
33N69.7Low81Confident116 Ų11666.9 Ų66.962%0.6234%0.337SS*.SBendcis-97.4117.21.3177.2-1.5000110.6
34T75.8Confident80.9Confident39 Ų3968.7 Ų68.724%0.23936%0.359CS..PPolyproline II helixtrans-96.8117.9177.1-69.90000111I29 D31 R36 I50I29-T34 HydrophobicContact CD1-CG2 3.9Å; D31-T34 WeakPolarHBondContact O-CB 3.39Å; D31-T34 PolarHBondContact O-N 3.03Å; D31-T34 PolarHBondContact O-OG1 3.12Å; T34-R36 HydrophobicContact CG2-CG 4.41Å; T34-I50 HydrophobicContact CG2-CG2 4.27Å
35G82.9Confident81Confident28 Ų2872.2 Ų72.229%0.28939%0.388SS..EExtended strand (participates in β ladder)trans-84.1136.8168.800000111.7Y51G35-Y51 PolarHBondContact O-N 2.83Å
36R86.1Confident81.4Confident58 Ų5871.8 Ų71.822%0.21939%0.389CS..EExtended strand (participates in β ladder)trans-123.9142.4168.4-73.7-175.9171.8-74.5-7.3110.6F27 I29 T34 F38 K47 G48 T49F27-R36 PolarHBondContact O-NE 3.15Å; F27-R36 PolarHBondContact O-NH2 3.12Å; I29-R36 HydrophobicContact CD1-CG 4.3Å; I29-R36 VanDerWaalsContact CD1-NE 3.26Å; T34-R36 HydrophobicContact CG2-CG 4.41Å; R36-F38 HydrophobicContact CB-CE2 3.93Å; R36-F38 HydrophobicContact CB-CZ 4.33Å; R36-K47 VanDerWaalsContact CD-O 3.27Å; R36-K47 WeakPolarHBondContact CD-O 3.4Å; R36-K47 PolarHBondContact NE-O 3.15Å; R36-K47 PolarHBondContact NH1-O 3.11Å; R36-G48 PolarHBondContact NH1-O 2.87Å; R36-T49 CarbonylContact C-O 3.55Å; R36-T49 VanDerWaalsContact CA-O 3.3Å; R36-T49 WeakPolarHBondContact CA-O 3.36Å
37F86.8Confident81.5Confident42 Ų4268.8 Ų68.818%0.18437%0.374CS..EExtended strand (participates in β ladder)trans-111.2138.9171.9174.5-107.7000110.9I8 V39 G48 T49 I68 H72I8-F37 HydrophobicContact CD1-CD2 4.45Å; I8-F37 HydrophobicContact CD1-CE2 4.04Å; F37-V39 HydrophobicContact CE1-CG1 3.8Å; F37-V39 HydrophobicContact CZ-CG1 4.48Å; F37-G48 CarbonylContact O-C 3.6Å; F37-G48 WeakPolarHBondContact O-CA 3.39Å; F37-T49 PolarHBondContact N-O 3.26Å; F37-T49 PolarHBondContact O-N 3.38Å; F37-T49 PolarHBondContact O-OG1 3.33Å; F37-I68 HydrophobicContact CB-CD1 4.3Å; F37-I68 HydrophobicContact CD1-CD1 4.36Å; F37-I68 HydrophobicContact CD1-CG2 3.93Å; F37-I68 HydrophobicContact CD2-CD1 4.14Å; F37-I68 HydrophobicContact CD2-CG2 3.85Å; F37-I68 HydrophobicContact CE1-CG2 3.48Å; F37-I68 VanDerWaalsContact CE1-CG2 3.48Å; F37-I68 HydrophobicContact CE2-CG2 3.41Å; F37-I68 VanDerWaalsContact CE2-CG2 3.41Å; F37-I68 HydrophobicContact CG-CD1 3.97Å; F37-I68 HydrophobicContact CG-CG2 4.11Å; F37-I68 HydrophobicContact CZ-CG2 3.22Å; F37-H72 AromaticContact CE1-CE1 3.87Å; F37-H72 AromaticContact CE1-NE2 3.65Å; F37-H72 AromaticContact CZ-CE1 3.6Å; F37-H72 AromaticContact CZ-NE2 3.46Å; F37-H72 WeakPolarHBondContact CZ-NE2 3.43Å
38F88.4Confident81.7Confident83 Ų8367.3 Ų67.336%0.36437%0.372SS..  trans-121126.4178.6-65.2-87.1000108.9F27 R36 G48F27-F38 HydrophobicContact CD1-CE1 4.29Å; F27-F38 AromaticContact CD1-CZ 3.89Å; F27-F38 HydrophobicContact CD1-CZ 3.89Å; F27-F38 AromaticContact CE1-CE1 3.73Å; F27-F38 HydrophobicContact CE1-CE1 3.73Å; F27-F38 AromaticContact CE1-CZ 3.64Å; F27-F38 HydrophobicContact CE1-CZ 3.64Å; R36-F38 HydrophobicContact CB-CE2 3.93Å; R36-F38 HydrophobicContact CB-CZ 4.33Å; F38-G48 VanDerWaalsContact CE1-N 3.33Å
39V86.6Confident82Confident40 Ų4063.2 Ų63.224%0.24237%0.366CS..  trans-68.5155.7176-65.60000110.7F37 S42 E76F37-V39 HydrophobicContact CE1-CG1 3.8Å; F37-V39 HydrophobicContact CZ-CG1 4.48Å; V39-S42 WeakPolarHBondContact O-CB 3.24Å; V39-S42 PolarHBondContact O-N 3.36Å; V39-S42 PolarHBondContact O-OG 2.78Å; V39-E76 HydrophobicContact CB-CB 4.43Å
40A85Confident82.1Confident25 Ų2566.1 Ų66.121%0.20738%0.381CS..THydrogen-bonded Turntrans-62.5144.4172.600000110.3S42 E76 P78A40-S42 PolarHBondContact O-N 3.08Å; A40-E76 WeakPolarHBondContact CB-O 3.45Å; A40-P78 HydrophobicContact CB-CB 4.2Å; A40-P78 HydrophobicContact CB-CG 3.99Å
41H83.8Confident82.2Confident135 Ų13566.2 Ų66.263%0.62538%0.382SS*.THydrogen-bonded Turntrans61.220.3-178.1-45.2-68.7000114.9
42S84.7Confident82Confident49 Ų4973.2 Ų73.234%0.34340%0.403SS..  trans-55.8137.5170.155.50000111.9V39 A40 D46V39-S42 WeakPolarHBondContact O-CB 3.24Å; V39-S42 PolarHBondContact O-N 3.36Å; V39-S42 PolarHBondContact O-OG 2.78Å; A40-S42 PolarHBondContact O-N 3.08Å; S42-D46 WeakPolarHBondContact CB-OD2 3.37Å
43S86.8Confident81.3Confident78 Ų7871.1 Ų71.155%0.54540%0.402SS..  trans-68.5158.1175.479.20000112A45 D46S43-A45 PolarHBondContact O-N 3.48Å; S43-A45 PolarHBondContact OG-N 2.88Å; S43-D46 VanDerWaalsContact O-CB 3.29Å; S43-D46 WeakPolarHBondContact O-CB 3.18Å; S43-D46 PolarHBondContact O-N 3.48Å
44A83.8Confident80.2Confident102 Ų10270.2 Ų70.284%0.84341%0.411SS*.THydrogen-bonded Turntrans-60.2-17.917500000114.4
45A85.3Confident79.6Confident79 Ų7973.1 Ų73.165%0.65343%0.425SS*.THydrogen-bonded Turntrans-81.4-15174.300000113.3S43 K47S43-A45 PolarHBondContact O-N 3.48Å; S43-A45 PolarHBondContact OG-N 2.88Å; A45-K47 PolarHBondContact O-N 3.43Å
46D86.8Confident78.9Confident54 Ų5480.2 Ų80.229%0.28944%0.443SS..  trans-67.3131.9178.6-172.910.7000110.5S42 S43 G48S42-D46 WeakPolarHBondContact CB-OD2 3.37Å; S43-D46 VanDerWaalsContact O-CB 3.29Å; S43-D46 WeakPolarHBondContact O-CB 3.18Å; S43-D46 PolarHBondContact O-N 3.48Å; D46-G48 PolarHBondContact OD1-N 3.37Å
47K87.2Confident78.7Confident49 Ų4983.1 Ų83.121%0.21346%0.459CS..  trans-102.95.6176.2-57.1-51.7178.9-162.80112.6E26 F27 R36 A45E26-K47 VanDerWaalsContact CD-NZ 3.28Å; E26-K47 IonicContact OE1-NZ 3.48Å; E26-K47 PolarHBondContact OE1-NZ 2.9Å; F27-K47 HydrophobicContact CD1-CB 4.16Å; F27-K47 HydrophobicContact CD1-CD 3.64Å; F27-K47 HydrophobicContact CD2-CD 4.41Å; F27-K47 HydrophobicContact CE1-CD 3.63Å; F27-K47 HydrophobicContact CE2-CD 4.4Å; F27-K47 HydrophobicContact CG-CD 4.06Å; F27-K47 HydrophobicContact CZ-CD 4.03Å; R36-K47 VanDerWaalsContact CD-O 3.27Å; R36-K47 WeakPolarHBondContact CD-O 3.4Å; R36-K47 PolarHBondContact NE-O 3.15Å; R36-K47 PolarHBondContact NH1-O 3.11Å; A45-K47 PolarHBondContact O-N 3.43Å
48G87.5Confident78.6Confident14 Ų1487 Ų8714%0.14449%0.486CS..  trans70.8164.2176.200000113.2R36 F37 F38 D46R36-G48 PolarHBondContact NH1-O 2.87Å; F37-G48 CarbonylContact O-C 3.6Å; F37-G48 WeakPolarHBondContact O-CA 3.39Å; F38-G48 VanDerWaalsContact CE1-N 3.33Å; D46-G48 PolarHBondContact OD1-N 3.37Å
49T85.7Confident78.6Confident91 Ų9190.2 Ų90.256%0.55850%0.496SS*.EExtended strand (participates in β ladder)trans-89.9132.817846.10000110.7R36 F37 Y51R36-T49 CarbonylContact C-O 3.55Å; R36-T49 VanDerWaalsContact CA-O 3.3Å; R36-T49 WeakPolarHBondContact CA-O 3.36Å; F37-T49 PolarHBondContact N-O 3.26Å; F37-T49 PolarHBondContact O-N 3.38Å; F37-T49 PolarHBondContact O-OG1 3.33Å; T49-Y51 PolarHBondContact O-N 2.84Å
50I81Confident78.6Confident83 Ų8389.8 Ų89.843%0.42650%0.495SS..EExtended strand (participates in β ladder)trans-75.4125-179.6-59.6175.4000109.6T34 R52T34-I50 HydrophobicContact CG2-CG2 4.27Å; I50-R52 HydrophobicContact CG2-CG 3.99Å
51Y72.9Confident78.7Confident79 Ų7991.1 Ų91.131%0.3150%0.5SS..EExtended strand (participates in β ladder)trans-85.5126.4169.3175.9-117.8000110.8G35 T49 G53 L64G35-Y51 PolarHBondContact O-N 2.83Å; T49-Y51 PolarHBondContact O-N 2.84Å; Y51-G53 VanDerWaalsContact CZ-CA 3.41Å; Y51-L64 HydrophobicContact CD1-CD2 4.25Å; Y51-L64 HydrophobicContact CD2-CD1 3.99Å; Y51-L64 HydrophobicContact CD2-CD2 3.49Å; Y51-L64 VanDerWaalsContact CD2-CD2 3.49Å; Y51-L64 HydrophobicContact CD2-CG 4.36Å; Y51-L64 HydrophobicContact CE1-CD2 4.03Å; Y51-L64 HydrophobicContact CE2-CD1 3.63Å; Y51-L64 HydrophobicContact CE2-CD2 3.26Å; Y51-L64 HydrophobicContact CE2-CG 3.98Å; Y51-L64 HydrophobicContact CG-CD2 3.98Å
52R62.7Low79Confident220 Ų22086.8 Ų86.883%0.8348%0.478SS*.  trans-119.930.3-179.4-62.6-174.5175174-2.5113.2I50I50-R52 HydrophobicContact CG2-CG 3.99Å
53G58.9Low79.3Confident29 Ų2986.5 Ų86.530%0.29947%0.471SS..  trans-69.713417600000111.8Y51Y51-G53 VanDerWaalsContact CZ-CA 3.41Å
54A46.7Very low79.4Confident98 Ų9885 Ų8581%0.8146%0.457SS*.SBendtrans-72.2-39.2178.500000112.3R56A54-R56 PolarHBondContact O-N 3.27Å
55D61.6Low79.6Confident100 Ų10080.7 Ų80.754%0.53542%0.42SS..  trans-86.1114.2-179.5-78.1-40.1000112.7E57D55-E57 PolarHBondContact O-N 2.84Å
56R69.4Low80Confident177 Ų17777 Ų7767%0.66839%0.388SS*.  trans-86.215.6172.4-61.3-179178.81651.3113A54A54-R56 PolarHBondContact O-N 3.27Å
57E80.8Confident80.1Confident119 Ų11977.9 Ų77.956%0.55639%0.394SS*.  trans-64.4142.7177.4-66.7-160161.200112.1D55 R59 S60 V61D55-E57 PolarHBondContact O-N 2.84Å; E57-R59 PolarHBondContact O-N 2.84Å; E57-R59 VanDerWaalsContact O-N 3.09Å; E57-S60 PolarHBondContact O-N 3.39Å; E57-V61 WeakPolarHBondContact O-CG2 3.31Å; E57-V61 PolarHBondContact O-N 2.8Å
58V85.7Confident80.1Confident124 Ų12477.1 Ų77.175%0.75239%0.392SS*.Hα-helixtrans-57.1-28.8177.7-179.60000112.3R62V58-R62 WeakPolarHBondContact O-CB 3.43Å; V58-R62 PolarHBondContact O-N 2.73Å
59R87.5Confident80.2Confident150 Ų15076.6 Ų76.657%0.56639%0.385SS*.Hα-helixtrans-70.2-53.1173.2-177.2179.9-178.4175.51.8111.4E57 R62 Q63E57-R59 PolarHBondContact O-N 2.84Å; E57-R59 VanDerWaalsContact O-N 3.09Å; R59-R62 PolarHBondContact O-N 3.43Å; R59-Q63 HydrophobicContact CG-CG 4.46Å; R59-Q63 WeakPolarHBondContact O-CG 3.36Å; R59-Q63 PolarHBondContact O-N 2.72Å
60S87.1Confident80.3Confident31 Ų3174.8 Ų74.822%0.21737%0.371CS..Hα-helixtrans-62.1-45.8-176.5-540000112E57 R62 Q63 L64E57-S60 PolarHBondContact O-N 3.39Å; S60-R62 VanDerWaalsContact C-N 3.35Å; S60-R62 PolarHBondContact O-N 3.41Å; S60-Q63 PolarHBondContact O-N 3.13Å; S60-L64 WeakPolarHBondContact O-CB 3.47Å; S60-L64 PolarHBondContact O-N 2.74Å
61V86.8Confident80.3Confident52 Ų5277.9 Ų77.932%0.31539%0.388SS..Hα-helixtrans-62.2-41.2176.4176.90000111.4E57 L64 M65E57-V61 WeakPolarHBondContact O-CG2 3.31Å; E57-V61 PolarHBondContact O-N 2.8Å; V61-L64 WeakPolarHBondContact O-CB 3.27Å; V61-L64 PolarHBondContact O-N 2.83Å; V61-M65 HydrophobicContact CG1-SD 4.32Å; V61-M65 VanDerWaalsContact O-CG 3.28Å; V61-M65 WeakPolarHBondContact O-CG 3.34Å; V61-M65 PolarHBondContact O-N 2.86Å
62R90.7Very high80.4Confident45 Ų4575.6 Ų75.617%0.1738%0.38CS..Hα-helixtrans-66.5-43.9177.2170.4176.546.6128.60.3113V1 W4 V58 R59 S60 L64 M65 V66 E118 R172V1-R62 HydrophobicContact CG1-CG 4.33Å; W4-R62 HydrophobicContact CH2-CG 3.54Å; W4-R62 HydrophobicContact CZ2-CG 4.32Å; W4-R62 HydrophobicContact CZ3-CG 4.1Å; V58-R62 WeakPolarHBondContact O-CB 3.43Å; V58-R62 PolarHBondContact O-N 2.73Å; R59-R62 PolarHBondContact O-N 3.43Å; S60-R62 VanDerWaalsContact C-N 3.35Å; S60-R62 PolarHBondContact O-N 3.41Å; R62-L64 VanDerWaalsContact C-N 3.29Å; R62-L64 PolarHBondContact O-N 3.21Å; R62-M65 WeakPolarHBondContact O-CB 3.48Å; R62-M65 PolarHBondContact O-N 3.11Å; R62-V66 PolarHBondContact O-N 3.11Å; R62-V66 VanDerWaalsContact O-N 3.09Å; R62-E118 WeakPolarHBondContact CD-OE1 3.48Å; R62-E118 HydrophobicContact CG-CG 4.47Å; R62-E118 WeakPolarHBondContact CG-OE1 3.19Å; R62-E118 IonicContact CZ-OE1 3.49Å; R62-E118 IonicContact CZ-OE2 3.44Å; R62-E118 IonicContact NE-OE1 2.8Å; R62-E118 PolarHBondContact NE-OE1 3.07Å; R62-E118 IonicContact NH1-OE1 2.66Å; R62-E118 PolarHBondContact NH1-OE1 3.41Å; R62-E118 IonicContact NH1-OE2 3.4Å; R62-E118 PolarHBondContact NH1-OE2 3.44Å; R62-R172 VanDerWaalsContact NH1-NH1 3.11Å
63Q91.1Very high80.7Confident42 Ų4267.5 Ų67.520%0.19636%0.357CS..Hα-helixtrans-66.5-35.1177.8-70.8-178.9-45.500111.2R59 S60 V66 N67 F114R59-Q63 HydrophobicContact CG-CG 4.46Å; R59-Q63 WeakPolarHBondContact O-CG 3.36Å; R59-Q63 PolarHBondContact O-N 2.72Å; S60-Q63 PolarHBondContact O-N 3.13Å; Q63-V66 PolarHBondContact O-N 3.07Å; Q63-N67 VanDerWaalsContact O-CG 3.3Å; Q63-N67 PolarHBondContact O-N 3.09Å; Q63-N67 PolarHBondContact O-ND2 3.13Å; Q63-F114 HydrophobicContact CB-CD1 3.97Å; Q63-F114 HydrophobicContact CB-CE1 3.81Å; Q63-F114 HydrophobicContact CB-CG 4.44Å; Q63-F114 HydrophobicContact CB-CZ 4.15Å; Q63-F114 HydrophobicContact CG-CB 4.32Å; Q63-F114 HydrophobicContact CG-CD1 3.8Å; Q63-F114 HydrophobicContact CG-CD2 4.16Å; Q63-F114 HydrophobicContact CG-CE1 4.12Å; Q63-F114 HydrophobicContact CG-CE2 4.46Å; Q63-F114 HydrophobicContact CG-CG 3.83Å; Q63-F114 HydrophobicContact CG-CZ 4.44Å; Q63-F114 VanDerWaalsContact NE2-CD2 3.29Å; Q63-F114 WeakPolarHBondContact O-CE1 3.48Å
64L87.9Confident81Confident47 Ų4778 Ų7825%0.24639%0.388CS..Hα-helixtrans-58.4-50.9167.6175.381.3000111.6Y51 S60 V61 R62 V66 N67 I68Y51-L64 HydrophobicContact CD1-CD2 4.25Å; Y51-L64 HydrophobicContact CD2-CD1 3.99Å; Y51-L64 HydrophobicContact CD2-CD2 3.49Å; Y51-L64 VanDerWaalsContact CD2-CD2 3.49Å; Y51-L64 HydrophobicContact CD2-CG 4.36Å; Y51-L64 HydrophobicContact CE1-CD2 4.03Å; Y51-L64 HydrophobicContact CE2-CD1 3.63Å; Y51-L64 HydrophobicContact CE2-CD2 3.26Å; Y51-L64 HydrophobicContact CE2-CG 3.98Å; Y51-L64 HydrophobicContact CG-CD2 3.98Å; S60-L64 WeakPolarHBondContact O-CB 3.47Å; S60-L64 PolarHBondContact O-N 2.74Å; V61-L64 WeakPolarHBondContact O-CB 3.27Å; V61-L64 PolarHBondContact O-N 2.83Å; R62-L64 VanDerWaalsContact C-N 3.29Å; R62-L64 PolarHBondContact O-N 3.21Å; L64-V66 PolarHBondContact O-N 2.72Å; L64-N67 PolarHBondContact O-N 3.17Å; L64-N67 VanDerWaalsContact O-N 3.1Å; L64-I68 HydrophobicContact CD1-CD1 4.08Å; L64-I68 HydrophobicContact CD1-CG1 4.29Å; L64-I68 HydrophobicContact CD2-CD1 4.05Å; L64-I68 HydrophobicContact CG-CD1 3.69Å; L64-I68 HydrophobicContact CG-CG1 4.22Å; L64-I68 WeakPolarHBondContact O-CB 3.41Å; L64-I68 WeakPolarHBondContact O-CG1 3.41Å; L64-I68 PolarHBondContact O-N 2.81Å
65M89.6Confident82Confident12 Ų1279 Ų796%0.05938%0.384CS..Hα-helixtrans-55.4-39.3178.7-70.1166.975.600111.9V1 W4 I8 V10 V61 R62 L69V1-M65 HydrophobicContact CB-CE 4.2Å; V1-M65 HydrophobicContact CG2-CE 4.13Å; V1-M65 HydrophobicContact CG2-SD 4.45Å; W4-M65 HydrophobicContact CE3-CE 4.08Å; W4-M65 HydrophobicContact CZ3-CB 4.06Å; I8-M65 HydrophobicContact CB-CE 4.49Å; I8-M65 HydrophobicContact CD1-CB 4Å; I8-M65 HydrophobicContact CD1-CE 4.3Å; I8-M65 HydrophobicContact CD1-CG 3.99Å; I8-M65 HydrophobicContact CG1-CE 4.14Å; I8-M65 HydrophobicContact CG2-CE 3.65Å; V10-M65 HydrophobicContact CG2-CE 3.8Å; V10-M65 HydrophobicContact CG2-SD 4.24Å; V61-M65 HydrophobicContact CG1-SD 4.32Å; V61-M65 VanDerWaalsContact O-CG 3.28Å; V61-M65 WeakPolarHBondContact O-CG 3.34Å; V61-M65 PolarHBondContact O-N 2.86Å; R62-M65 WeakPolarHBondContact O-CB 3.48Å; R62-M65 PolarHBondContact O-N 3.11Å; M65-L69 WeakPolarHBondContact O-CG 3.47Å; M65-L69 PolarHBondContact O-N 3.21Å; M65-L69 VanDerWaalsContact O-N 3.08Å
66V92.3Very high82.6Confident0 Ų077.9 Ų77.90%038%0.375CS..Hα-helixtrans-65.3-50.4173.5173.30000111.8W4 R62 Q63 L64 I68 L69 Q70 F114 R117 E118 L121W4-V66 HydrophobicContact CH2-CG2 3.64Å; W4-V66 HydrophobicContact CZ3-CG2 3.88Å; R62-V66 PolarHBondContact O-N 3.11Å; R62-V66 VanDerWaalsContact O-N 3.09Å; Q63-V66 PolarHBondContact O-N 3.07Å; L64-V66 PolarHBondContact O-N 2.72Å; V66-I68 VanDerWaalsContact C-N 3.28Å; V66-I68 PolarHBondContact O-N 3.15Å; V66-L69 PolarHBondContact O-N 3.45Å; V66-Q70 WeakPolarHBondContact O-CB 3.35Å; V66-Q70 PolarHBondContact O-N 2.73Å; V66-F114 HydrophobicContact CB-CD1 3.98Å; V66-F114 HydrophobicContact CB-CE1 4.13Å; V66-F114 HydrophobicContact CG1-CD1 3.8Å; V66-F114 HydrophobicContact CG1-CE1 3.99Å; V66-F114 HydrophobicContact CG2-CD1 4.44Å; V66-R117 HydrophobicContact CG1-CB 3.61Å; V66-R117 HydrophobicContact CG1-CG 4.17Å; V66-E118 HydrophobicContact CG2-CG 4.08Å; V66-L121 HydrophobicContact CG2-CD1 4Å
67N90.2Very high83Confident74 Ų7472.7 Ų72.740%0.39636%0.356SS..Hα-helixtrans-60.7-39179.7-73.3-21.2000112.1Q63 L64 Q70 N71 F114Q63-N67 VanDerWaalsContact O-CG 3.3Å; Q63-N67 PolarHBondContact O-N 3.09Å; Q63-N67 PolarHBondContact O-ND2 3.13Å; L64-N67 PolarHBondContact O-N 3.17Å; L64-N67 VanDerWaalsContact O-N 3.1Å; N67-Q70 PolarHBondContact O-N 2.91Å; N67-N71 WeakPolarHBondContact O-CB 3.39Å; N67-N71 PolarHBondContact O-N 3.15Å; N67-N71 VanDerWaalsContact O-N 3.1Å; N67-F114 WeakPolarHBondContact OD1-CE1 3.31Å; N67-F114 VanDerWaalsContact OD1-CZ 3.26Å; N67-F114 WeakPolarHBondContact OD1-CZ 3.38Å
68I86.8Confident83.2Confident33 Ų3367.7 Ų67.717%0.16933%0.334CS..Hα-helixtrans-55.8-62172-78.8175.4000108.7I8 F37 L64 V66 Q70 N71 H72I8-I68 HydrophobicContact CD1-CG2 4.26Å; F37-I68 HydrophobicContact CB-CD1 4.3Å; F37-I68 HydrophobicContact CD1-CD1 4.36Å; F37-I68 HydrophobicContact CD1-CG2 3.93Å; F37-I68 HydrophobicContact CD2-CD1 4.14Å; F37-I68 HydrophobicContact CD2-CG2 3.85Å; F37-I68 HydrophobicContact CE1-CG2 3.48Å; F37-I68 VanDerWaalsContact CE1-CG2 3.48Å; F37-I68 HydrophobicContact CE2-CG2 3.41Å; F37-I68 VanDerWaalsContact CE2-CG2 3.41Å; F37-I68 HydrophobicContact CG-CD1 3.97Å; F37-I68 HydrophobicContact CG-CG2 4.11Å; F37-I68 HydrophobicContact CZ-CG2 3.22Å; L64-I68 HydrophobicContact CD1-CD1 4.08Å; L64-I68 HydrophobicContact CD1-CG1 4.29Å; L64-I68 HydrophobicContact CD2-CD1 4.05Å; L64-I68 HydrophobicContact CG-CD1 3.69Å; L64-I68 HydrophobicContact CG-CG1 4.22Å; L64-I68 WeakPolarHBondContact O-CB 3.41Å; L64-I68 WeakPolarHBondContact O-CG1 3.41Å; L64-I68 PolarHBondContact O-N 2.81Å; V66-I68 VanDerWaalsContact C-N 3.28Å; V66-I68 PolarHBondContact O-N 3.15Å; I68-Q70 PolarHBondContact O-N 2.64Å; I68-Q70 VanDerWaalsContact O-N 3.14Å; I68-N71 PolarHBondContact O-N 2.93Å; I68-N71 VanDerWaalsContact O-N 3.13Å; I68-H72 PolarHBondContact O-CE1 3.34Å; I68-H72 PolarHBondContact O-ND1 2.94Å
69L88.7Confident82.9Confident3 Ų370.3 Ų70.32%0.01634%0.338CS..Hα-helixtrans-55.2-35.6-179.5-75.4175.8000113.7A7 I8 M65 V66 H72 P78 L84 L121A7-L69 HydrophobicContact CB-CD1 4.03Å; A7-L69 HydrophobicContact CB-CD2 4.3Å; A7-L69 WeakPolarHBondContact O-CD2 3.27Å; I8-L69 HydrophobicContact CB-CD1 4.18Å; I8-L69 HydrophobicContact CB-CD2 4.24Å; I8-L69 HydrophobicContact CB-CG 4.34Å; I8-L69 HydrophobicContact CG2-CD1 3.73Å; I8-L69 HydrophobicContact CG2-CG 4.35Å; M65-L69 WeakPolarHBondContact O-CG 3.47Å; M65-L69 PolarHBondContact O-N 3.21Å; M65-L69 VanDerWaalsContact O-N 3.08Å; V66-L69 PolarHBondContact O-N 3.45Å; L69-H72 PolarHBondContact O-ND1 3.07Å; L69-P78 HydrophobicContact CD2-CG 3.97Å; L69-L84 HydrophobicContact CB-CD1 3.77Å; L69-L121 HydrophobicContact CD1-CD1 3.84Å; L69-L121 HydrophobicContact CD1-CD2 3.92Å
70Q87.3Confident82.7Confident53 Ų5365.8 Ų65.825%0.24833%0.329CS..Hα-helixtrans-74.7-29.1-177.4-159.8176.9-11.100113.7V66 N67 I68 L84 E85V66-Q70 WeakPolarHBondContact O-CB 3.35Å; V66-Q70 PolarHBondContact O-N 2.73Å; N67-Q70 PolarHBondContact O-N 2.91Å; I68-Q70 PolarHBondContact O-N 2.64Å; I68-Q70 VanDerWaalsContact O-N 3.14Å; Q70-L84 HydrophobicContact CB-CD1 4.4Å; Q70-L84 HydrophobicContact CG-CB 4.2Å; Q70-E85 VanDerWaalsContact CD-OE2 3.26Å; Q70-E85 WeakPolarHBondContact CG-OE2 3.48Å; Q70-E85 PolarHBondContact NE2-OE2 2.83Å
71N82.6Confident82.8Confident147 Ų14764.6 Ų64.679%0.78632%0.321SS*.THydrogen-bonded Turntrans-9713.8-173.4-159.243.4000114.4N67 I68N67-N71 WeakPolarHBondContact O-CB 3.39Å; N67-N71 PolarHBondContact O-N 3.15Å; N67-N71 VanDerWaalsContact O-N 3.1Å; I68-N71 PolarHBondContact O-N 2.93Å; I68-N71 VanDerWaalsContact O-N 3.13Å
72H74.9Confident82.9Confident32 Ų3263.8 Ų63.815%0.14832%0.317CS..  trans-76.3146.3175.8-74.175.2000111.8F37 I68 L69 E76F37-H72 AromaticContact CE1-CE1 3.87Å; F37-H72 AromaticContact CE1-NE2 3.65Å; F37-H72 AromaticContact CZ-CE1 3.6Å; F37-H72 AromaticContact CZ-NE2 3.46Å; F37-H72 WeakPolarHBondContact CZ-NE2 3.43Å; I68-H72 PolarHBondContact O-CE1 3.34Å; I68-H72 PolarHBondContact O-ND1 2.94Å; L69-H72 PolarHBondContact O-ND1 3.07Å; H72-E76 HydrophobicContact CB-CB 4.31Å; H72-E76 PolarHBondContact CD2-O 2.9Å
73S68.5Low83Confident50 Ų5064.4 Ų64.435%0.3533%0.327SS..  trans-68.3163.1164.273.50000111.1T75 E76 R77S73-T75 PolarHBondContact O-N 2.99Å; S73-T75 PolarHBondContact OG-OG1 3.33Å; S73-T75 VanDerWaalsContact OG-OG1 3.07Å; S73-E76 WeakPolarHBondContact CB-OE2 3.44Å; S73-E76 PolarHBondContact N-OE2 3.39Å; S73-E76 PolarHBondContact O-N 3.32Å; S73-E76 WeakPolarHBondContact OG-CG 3.46Å; S73-E76 PolarHBondContact OG-OE2 3.47Å; S73-R77 PolarHBondContact O-N 3.4Å
74R65.1Low83.1Confident248 Ų24862.4 Ų62.494%0.93632%0.317SS*.THydrogen-bonded Turntrans-57.4-25-179.2-73.4-170.3176.8-154.20.2114
75T68.1Low83.4Confident119 Ų11963.4 Ų63.473%0.7332%0.321SS*.THydrogen-bonded Turntrans-85.9-18.918037.40000114.1S73S73-T75 PolarHBondContact O-N 2.99Å; S73-T75 PolarHBondContact OG-OG1 3.33Å; S73-T75 VanDerWaalsContact OG-OG1 3.07Å
76E73.9Confident83.7Confident77 Ų7765.6 Ų65.636%0.3634%0.336SS..THydrogen-bonded Turntrans-105.20.3-176.2-55.8158.8136.600112V39 A40 H72 S73V39-E76 HydrophobicContact CB-CB 4.43Å; A40-E76 WeakPolarHBondContact CB-O 3.45Å; H72-E76 HydrophobicContact CB-CB 4.31Å; H72-E76 PolarHBondContact CD2-O 2.9Å; S73-E76 WeakPolarHBondContact CB-OE2 3.44Å; S73-E76 PolarHBondContact N-OE2 3.39Å; S73-E76 PolarHBondContact O-N 3.32Å; S73-E76 WeakPolarHBondContact OG-CG 3.46Å; S73-E76 PolarHBondContact OG-OE2 3.47Å
77R78.5Confident83.9Confident68 Ų6867.5 Ų67.526%0.25734%0.343SS..SBendtrans-78.7129.5-176.4-174-178.7-179.7106.310.9110.8S73 Q79 C81 P82 E85S73-R77 PolarHBondContact O-N 3.4Å; R77-Q79 PolarHBondContact O-N 2.66Å; R77-C81 HydrophobicContact CG-CB 4.39Å; R77-C81 PolarHBondContact NE-O 3.4Å; R77-C81 PolarHBondContact NH2-O 3.07Å; R77-P82 PolarHBondContact NH2-O 3.17Å; R77-E85 IonicContact NH1-OE1 2.83Å
78P83.1Confident84.2Confident15 Ų1567.6 Ų67.610%0.09734%0.344CS..  trans-58.7135.9173.2-13.120.7000111.2A7 A40 L69 S80 C81A7-P78 WeakPolarHBondContact O-CG 3.33Å; A40-P78 HydrophobicContact CB-CB 4.2Å; A40-P78 HydrophobicContact CB-CG 3.99Å; L69-P78 HydrophobicContact CD2-CG 3.97Å; P78-S80 VanDerWaalsContact C-N 3.33Å; P78-S80 PolarHBondContact O-N 2.74Å; P78-C81 HydrophobicContact CB-CB 3.99Å; P78-C81 HydrophobicContact CG-CB 4.07Å; P78-C81 WeakPolarHBondContact O-CB 3.38Å; P78-C81 PolarHBondContact O-N 2.71Å
79Q81.3Confident84.7Confident178 Ų17866.4 Ų66.483%0.83234%0.339SS*.THydrogen-bonded Turntrans-59.9-39.4-174.2-65.8-177.10.900113.3R77 C81R77-Q79 PolarHBondContact O-N 2.66Å; Q79-C81 VanDerWaalsContact C-N 3.26Å; Q79-C81 PolarHBondContact O-N 2.78Å
80S83.1Confident85.1Confident55 Ų5570.2 Ų70.239%0.38537%0.371SS..THydrogen-bonded Turntrans-73.4-10.3175.3-65.30000114E6 P78 P82 L124E6-S80 WeakPolarHBondContact OE2-CB 3.35Å; E6-S80 PolarHBondContact OE2-OG 3.21Å; P78-S80 VanDerWaalsContact C-N 3.33Å; P78-S80 PolarHBondContact O-N 2.74Å; S80-P82 WeakPolarHBondContact O-CD 3.49Å; S80-L124 VanDerWaalsContact O-CD1 3.29Å; S80-L124 WeakPolarHBondContact O-CD1 3.4Å
81C88.6Confident85.5Confident7 Ų772.1 Ų72.15%0.04738%0.38CS..  trans-74.9111.3-170.4-174.40000112.3A7 R77 P78 Q79A7-C81 HydrophobicContact CB-CB 3.94Å; R77-C81 HydrophobicContact CG-CB 4.39Å; R77-C81 PolarHBondContact NE-O 3.4Å; R77-C81 PolarHBondContact NH2-O 3.07Å; P78-C81 HydrophobicContact CB-CB 3.99Å; P78-C81 HydrophobicContact CG-CB 4.07Å; P78-C81 WeakPolarHBondContact O-CB 3.38Å; P78-C81 PolarHBondContact O-N 2.71Å; Q79-C81 VanDerWaalsContact C-N 3.26Å; Q79-C81 PolarHBondContact O-N 2.78Å
82P89.6Confident86.2Confident34 Ų3465.2 Ų65.222%0.22134%0.342CS..  trans-73.1153.8-175.632.6-37.8000111.6R77 S80 L84 I120 L124R77-P82 PolarHBondContact NH2-O 3.17Å; S80-P82 WeakPolarHBondContact O-CD 3.49Å; P82-L84 PolarHBondContact O-N 2.94Å; P82-I120 HydrophobicContact CB-CG2 4.01Å; P82-I120 HydrophobicContact CG-CG2 3.46Å; P82-I120 VanDerWaalsContact CG-CG2 3.46Å; P82-L124 HydrophobicContact CG-CD1 4.28Å
83P91.1Very high87.1Confident59 Ų5966 Ų6638%0.38335%0.348SS..  trans-51.2127.2-179.8-29.338000113Y87P83-Y87 HydrophobicContact CB-CE2 4.25Å; P83-Y87 WeakPolarHBondContact CB-OH 3.25Å; P83-Y87 WeakPolarHBondContact CG-OH 3.22Å
84L93.9Very high88.4Confident0 Ų067.8 Ų67.80%036%0.358CS..  trans-104.14.8178.7-59.3-175.6000112L69 Q70 P82 R117 I120 L121 R133L69-L84 HydrophobicContact CB-CD1 3.77Å; Q70-L84 HydrophobicContact CB-CD1 4.4Å; Q70-L84 HydrophobicContact CG-CB 4.2Å; P82-L84 PolarHBondContact O-N 2.94Å; L84-R117 HydrophobicContact CB-CG 4.21Å; L84-I120 HydrophobicContact CD2-CB 4.32Å; L84-I120 HydrophobicContact CD2-CG2 3.79Å; L84-L121 HydrophobicContact CD1-CD1 4.46Å; L84-L121 HydrophobicContact CD2-CD1 4.45Å; L84-L121 HydrophobicContact CD2-CD2 4.16Å; L84-L121 HydrophobicContact CD2-CG 4.05Å; L84-R133 VanDerWaalsContact O-CD 3.3Å; L84-R133 WeakPolarHBondContact O-CD 3.43Å; L84-R133 PolarHBondContact O-NH1 3.22Å; L84-R133 VanDerWaalsContact O-NH1 3.08Å
85E93.3Very high89.9Confident68 Ų6857.6 Ų57.632%0.31832%0.322SS..SBendtrans-87.8147.8-174.9-7835.284.900109.7Q70 R77 Y87Q70-E85 VanDerWaalsContact CD-OE2 3.26Å; Q70-E85 WeakPolarHBondContact CG-OE2 3.48Å; Q70-E85 PolarHBondContact NE2-OE2 2.83Å; R77-E85 IonicContact NH1-OE1 2.83Å; E85-Y87 PolarHBondContact O-N 3.29Å
86P96.4Very high91.1Very high57 Ų5753.7 Ų53.737%0.3730%0.296SS..BIsolated β-bridgetrans-69.1131.5174.229.9-33.3000110.7R133 L135P86-R133 WeakPolarHBondContact CA-O 3.42Å; P86-L135 HydrophobicContact CB-CD1 4.23Å; P86-L135 HydrophobicContact CB-CD2 4.12Å; P86-L135 HydrophobicContact CB-CG 3.7Å; P86-L135 HydrophobicContact CG-CD1 4.14Å; P86-L135 HydrophobicContact CG-CG 4.16Å
87Y97.3Very high91.9Very high41 Ų4152.4 Ų52.416%0.16130%0.303CS..PPolyproline II helixtrans-84.9151.4166.8-67.4-104000109.4P83 E85 Q91 L92 R132 R133P83-Y87 HydrophobicContact CB-CE2 4.25Å; P83-Y87 WeakPolarHBondContact CB-OH 3.25Å; P83-Y87 WeakPolarHBondContact CG-OH 3.22Å; E85-Y87 PolarHBondContact O-N 3.29Å; Y87-Q91 HydrophobicContact CD1-CB 4.14Å; Y87-L92 HydrophobicContact CD1-CD2 4.47Å; Y87-L92 HydrophobicContact CG-CD2 4.22Å; Y87-R132 HydrophobicContact CD2-CB 3.96Å; Y87-R132 HydrophobicContact CD2-CG 4.27Å; Y87-R132 HydrophobicContact CE2-CB 4.05Å; Y87-R132 HydrophobicContact CE2-CG 3.93Å; Y87-R133 PolarHBondContact N-O 3.47Å
88N96.4Very high92.6Very high75 Ų7554.7 Ų54.740%0.40132%0.317SS..  trans-104.5170.4177.36743.1000113.3A90 Q91 L92 D138N88-A90 VanDerWaalsContact C-N 3.27Å; N88-A90 PolarHBondContact O-N 3.49Å; N88-A90 WeakPolarHBondContact OD1-CB 3.27Å; N88-A90 PolarHBondContact OD1-N 2.94Å; N88-A90 VanDerWaalsContact OD1-N 3.08Å; N88-Q91 PolarHBondContact O-N 2.84Å; N88-Q91 PolarHBondContact OD1-N 3.42Å; N88-L92 PolarHBondContact O-N 2.95Å; N88-L92 VanDerWaalsContact O-N 3.09Å; N88-D138 WeakPolarHBondContact CA-OD2 3.22Å; N88-D138 WeakPolarHBondContact CB-OD2 3.34Å
89A96.8Very high93.1Very high9 Ų963.7 Ų63.77%0.07435%0.349CS..Hα-helixtrans-49.7-42.9178.100000113.5Q91 L92 L93 D138 P140 L141A89-Q91 PolarHBondContact O-N 3.18Å; A89-L92 PolarHBondContact O-N 3.29Å; A89-L93 HydrophobicContact CB-CD1 3.92Å; A89-L93 HydrophobicContact CB-CG 4.2Å; A89-L93 VanDerWaalsContact O-CB 3.27Å; A89-L93 WeakPolarHBondContact O-CB 3.25Å; A89-L93 VanDerWaalsContact O-CG 3.25Å; A89-L93 WeakPolarHBondContact O-CG 3.24Å; A89-L93 PolarHBondContact O-N 3.09Å; A89-D138 PolarHBondContact N-OD2 2.84Å; A89-P140 HydrophobicContact CB-CB 3.97Å; A89-L141 HydrophobicContact CB-CB 4.05Å
90A96.5Very high93.7Very high82 Ų8257.3 Ų57.368%0.67832%0.324SS*.Hα-helixtrans-65.8-21.9-179.900000113.4N88 P94N88-A90 VanDerWaalsContact C-N 3.27Å; N88-A90 PolarHBondContact O-N 3.49Å; N88-A90 WeakPolarHBondContact OD1-CB 3.27Å; N88-A90 PolarHBondContact OD1-N 2.94Å; N88-A90 VanDerWaalsContact OD1-N 3.08Å; A90-P94 WeakPolarHBondContact O-CD 3.44Å; A90-P94 WeakPolarHBondContact O-CG 3.5Å
91Q96.6Very high94.2Very high94 Ų9461.5 Ų61.544%0.43934%0.342SS..Hα-helixtrans-93.9-24.9176.5-61.9171.3-66.800113.5Y87 N88 A89Y87-Q91 HydrophobicContact CD1-CB 4.14Å; N88-Q91 PolarHBondContact O-N 2.84Å; N88-Q91 PolarHBondContact OD1-N 3.42Å; A89-Q91 PolarHBondContact O-N 3.18Å
92L96.4Very high94.6Very high1 Ų163.5 Ų63.51%0.00535%0.351CS..Hα-helixtrans-102.8-39.7-173.7-65.5179.5000113.7Y87 N88 A89 P94 L95 I106 R132 A134 L141Y87-L92 HydrophobicContact CD1-CD2 4.47Å; Y87-L92 HydrophobicContact CG-CD2 4.22Å; N88-L92 PolarHBondContact O-N 2.95Å; N88-L92 VanDerWaalsContact O-N 3.09Å; A89-L92 PolarHBondContact O-N 3.29Å; L92-P94 VanDerWaalsContact C-CD 3.46Å; L92-L95 HydrophobicContact CD2-CD1 4.16Å; L92-L95 WeakPolarHBondContact O-CB 3.44Å; L92-L95 WeakPolarHBondContact O-CG 3.5Å; L92-L95 PolarHBondContact O-N 2.78Å; L92-L95 VanDerWaalsContact O-N 3.13Å; L92-I106 HydrophobicContact CB-CD1 4.3Å; L92-I106 HydrophobicContact CD1-CD1 4.34Å; L92-I106 HydrophobicContact CD1-CG1 4.48Å; L92-I106 HydrophobicContact CD1-CG2 3.86Å; L92-I106 HydrophobicContact CD2-CD1 4.25Å; L92-I106 HydrophobicContact CD2-CG1 4.31Å; L92-R132 HydrophobicContact CD2-CB 4.45Å; L92-A134 HydrophobicContact CD1-CB 3.88Å; L92-L141 HydrophobicContact CB-CD1 4.12Å; L92-L141 HydrophobicContact CD1-CD1 4.43Å; L92-L141 HydrophobicContact CD1-CD2 3.82Å
93L95.6Very high94.9Very high49 Ų4963.1 Ų63.126%0.25735%0.345SS..G310 helixtrans-59.8-37.2-178.8-64.5179.7000113.8A89 L95 L96 L141 V144A89-L93 HydrophobicContact CB-CD1 3.92Å; A89-L93 HydrophobicContact CB-CG 4.2Å; A89-L93 VanDerWaalsContact O-CB 3.27Å; A89-L93 WeakPolarHBondContact O-CB 3.25Å; A89-L93 VanDerWaalsContact O-CG 3.25Å; A89-L93 WeakPolarHBondContact O-CG 3.24Å; A89-L93 PolarHBondContact O-N 3.09Å; L93-L95 PolarHBondContact O-N 3.24Å; L93-L95 VanDerWaalsContact O-N 3.09Å; L93-L96 HydrophobicContact CB-CD1 4.46Å; L93-L96 HydrophobicContact CD2-CD1 3.61Å; L93-L96 WeakPolarHBondContact O-CB 3.29Å; L93-L96 PolarHBondContact O-N 2.88Å; L93-L96 VanDerWaalsContact O-N 3.13Å; L93-L141 HydrophobicContact CD2-CD1 3.7Å; L93-L141 HydrophobicContact CG-CD1 4.21Å; L93-V144 HydrophobicContact CD1-CG2 4.17Å; L93-V144 HydrophobicContact CD2-CB 3.75Å; L93-V144 HydrophobicContact CD2-CG1 3.82Å; L93-V144 HydrophobicContact CD2-CG2 4.02Å
94P95.7Very high95.2Very high87 Ų8760.8 Ų60.857%0.56533%0.33SS*.G310 helixtrans-62.9-14.6176.8-24.635.9000115.1A90 L92A90-P94 WeakPolarHBondContact O-CD 3.44Å; A90-P94 WeakPolarHBondContact O-CG 3.5Å; L92-P94 VanDerWaalsContact C-CD 3.46Å
95L95.1Very high95.4Very high35 Ų3560.8 Ų60.818%0.18333%0.33CS..G310 helixtrans-84.6-17.2179.5-49.5171.5000112.1L92 L93 G97 Q98 R132 L156L92-L95 HydrophobicContact CD2-CD1 4.16Å; L92-L95 WeakPolarHBondContact O-CB 3.44Å; L92-L95 WeakPolarHBondContact O-CG 3.5Å; L92-L95 PolarHBondContact O-N 2.78Å; L92-L95 VanDerWaalsContact O-N 3.13Å; L93-L95 PolarHBondContact O-N 3.24Å; L93-L95 VanDerWaalsContact O-N 3.09Å; L95-G97 PolarHBondContact O-N 3.25Å; L95-Q98 WeakPolarHBondContact O-CB 3.21Å; L95-Q98 PolarHBondContact O-N 3.09Å; L95-Q98 VanDerWaalsContact O-N 3.12Å; L95-R132 VanDerWaalsContact CD1-NH1 3.26Å; L95-L156 HydrophobicContact CB-CD1 3.62Å
96L94Very high95.7Very high37 Ų3757.6 Ų57.619%0.19432%0.315CS..THydrogen-bonded Turntrans-65126.2176.8-66.2164.4000109.5L93 Q98 V144 L145 Y154 L156 H162L93-L96 HydrophobicContact CB-CD1 4.46Å; L93-L96 HydrophobicContact CD2-CD1 3.61Å; L93-L96 WeakPolarHBondContact O-CB 3.29Å; L93-L96 PolarHBondContact O-N 2.88Å; L93-L96 VanDerWaalsContact O-N 3.13Å; L96-Q98 PolarHBondContact O-N 3.21Å; L96-V144 HydrophobicContact CD1-CG1 3.8Å; L96-L145 HydrophobicContact CD1-CD2 4.28Å; L96-L145 HydrophobicContact CD2-CD2 4.06Å; L96-Y154 HydrophobicContact CD2-CE1 3.94Å; L96-L156 HydrophobicContact CD2-CD2 3.66Å; L96-H162 HydrophobicContact CD2-CB 4.28Å
97G90.6Very high95.7Very high49 Ų4954.9 Ų54.951%0.50530%0.297SS..THydrogen-bonded Turntrans81.9-11.6-175.200000114.9L95 G160L95-G97 PolarHBondContact O-N 3.25Å; G97-G160 WeakPolarHBondContact CA-O 3.07Å
98Q93.6Very high95.8Very high116 Ų11653 Ų5354%0.54229%0.29SS..  trans-76.8134.4-179.2-168.2175.70.300111L95 L96L95-Q98 WeakPolarHBondContact O-CB 3.21Å; L95-Q98 PolarHBondContact O-N 3.09Å; L95-Q98 VanDerWaalsContact O-N 3.12Å; L96-Q98 PolarHBondContact O-N 3.21Å
99R93.8Very high95.8Very high205 Ų20549.4 Ų49.477%0.77427%0.271SS*.  trans-75.9143.2171.9-70.2-174.5176.4176.32.3111.1P158R99-P158 WeakPolarHBondContact CA-O 3.46Å
100S93.9Very high95.8Very high44 Ų4454.2 Ų54.231%0.30829%0.292SS..  trans-141166.7-178.6-1720000110.2H102 P158S100-H102 WeakPolarHBondContact CB-O 3.44Å; S100-H102 PolarHBondContact OG-CE1 2.92Å; S100-H102 PolarHBondContact OG-N 3.23Å; S100-H102 PolarHBondContact OG-ND1 2.82Å; S100-H102 VanDerWaalsContact OG-ND1 3.12Å; S100-H102 PolarHBondContact OG-O 2.95Å; S100-P158 PolarHBondContact N-O 2.97Å; S100-P158 CarbonylContact O-C 3.58Å; S100-P158 WeakPolarHBondContact O-CA 3.5Å; S100-P158 VanDerWaalsContact O-CB 3.3Å; S100-P158 WeakPolarHBondContact O-CB 3.4Å; S100-P158 VanDerWaalsContact O-O 3.1Å
101D93.6Very high95.7Very high143 Ų14353.7 Ų53.777%0.76529%0.288SS*.SBendtrans-88.6-6.9169.564.6-20.8000113
102H95.6Very high95.6Very high48 Ų4852.4 Ų52.422%0.22230%0.299CS..SBendtrans-137.1161.4-178.660.7-85.6000112.2S100 G128 E130S100-H102 WeakPolarHBondContact CB-O 3.44Å; S100-H102 PolarHBondContact OG-CE1 2.92Å; S100-H102 PolarHBondContact OG-N 3.23Å; S100-H102 PolarHBondContact OG-ND1 2.82Å; S100-H102 VanDerWaalsContact OG-ND1 3.12Å; S100-H102 PolarHBondContact OG-O 2.95Å; H102-G128 CarbonylContact C-O 3.54Å; H102-G128 WeakPolarHBondContact CA-O 3.48Å; H102-G128 WeakPolarHBondContact CB-O 3.42Å; H102-E130 IonicContact NE2-OE2 3.62Å
103Y97.5Very high95.6Very high27 Ų2753.5 Ų53.511%0.10631%0.307CS..EExtended strand (participates in β ladder)trans-75140.5168.4-65-92000110.6G128 V129 E130 L155 L156 H157 P158 L182 P183 V185Y103-G128 WeakPolarHBondContact CD2-O 3.42Å; Y103-G128 PolarHBondContact N-O 2.92Å; Y103-V129 CarbonylContact O-C 3.59Å; Y103-V129 WeakPolarHBondContact O-CA 3.48Å; Y103-E130 PolarHBondContact O-N 3.05Å; Y103-L155 HydrophobicContact CD1-CD1 4.15Å; Y103-L155 HydrophobicContact CD1-CD2 4.08Å; Y103-L155 HydrophobicContact CD1-CG 4.19Å; Y103-L155 HydrophobicContact CE1-CD2 4.48Å; Y103-L156 WeakPolarHBondContact CA-O 3.1Å; Y103-H157 HydrophobicContact CD1-CB 4.5Å; Y103-H157 HydrophobicContact CE1-CB 4.38Å; Y103-H157 AromaticContact CE1-ND1 3.59Å; Y103-P158 HydrophobicContact CD1-CG 4.5Å; Y103-P158 HydrophobicContact CD2-CG 4.26Å; Y103-P158 HydrophobicContact CE2-CG 4.24Å; Y103-P158 HydrophobicContact CG-CG 4.37Å; Y103-L182 HydrophobicContact CD1-CD1 3.98Å; Y103-L182 HydrophobicContact CD2-CB 4.23Å; Y103-L182 HydrophobicContact CD2-CD1 4.14Å; Y103-L182 HydrophobicContact CE1-CD1 4.38Å; Y103-L182 HydrophobicContact CE1-CD2 4.48Å; Y103-L182 HydrophobicContact CE2-CB 3.99Å; Y103-L182 HydrophobicContact CG-CD1 3.86Å; Y103-P183 WeakPolarHBondContact CE2-O 3.26Å; Y103-P183 PolarHBondContact OH-O 3.22Å; Y103-V185 HydrophobicContact CD2-CG2 4.03Å; Y103-V185 HydrophobicContact CE2-CG2 4.4Å
104T97.8Very high95.6Very high10 Ų1052.6 Ų52.66%0.06130%0.301CS..EExtended strand (participates in β ladder)trans-111.4115.6168.4-47.70000109.5E130 R132 L156T104-E130 CarbonylContact C-O 3.6Å; T104-E130 WeakPolarHBondContact CA-O 3.43Å; T104-R132 HydrophobicContact CG2-CG 4.42Å; T104-L156 HydrophobicContact CG2-CD1 4.48Å; T104-L156 PolarHBondContact N-O 3.44Å; T104-L156 PolarHBondContact O-N 3.31Å
105A98Very high95.6Very high0 Ų049.5 Ų49.50%028%0.28CS..EExtended strand (participates in β ladder)trans-97.7115.717600000110.3E130 V131 R132 V153 L155 L179A105-E130 PolarHBondContact N-O 2.65Å; A105-V131 HydrophobicContact CB-CG1 4.46Å; A105-V131 HydrophobicContact CB-CG2 4.44Å; A105-V131 CarbonylContact O-C 3.59Å; A105-V131 WeakPolarHBondContact O-CA 3.2Å; A105-R132 PolarHBondContact O-N 3.43Å; A105-R132 VanDerWaalsContact O-O 3.12Å; A105-V153 HydrophobicContact CB-CG1 4.12Å; A105-L155 HydrophobicContact CB-CD1 4.15Å; A105-L179 HydrophobicContact CB-CD1 3.68Å; A105-L179 HydrophobicContact CB-CD2 3.57Å; A105-L179 HydrophobicContact CB-CG 4.29Å
106I98Very high95.7Very high1 Ų147.8 Ų47.81%0.00527%0.272CS..EExtended strand (participates in β ladder)trans-96.3112.6175.7-59.4167.1000108L92 V108 R132 A134 V153 Y154 L156L92-I106 HydrophobicContact CB-CD1 4.3Å; L92-I106 HydrophobicContact CD1-CD1 4.34Å; L92-I106 HydrophobicContact CD1-CG1 4.48Å; L92-I106 HydrophobicContact CD1-CG2 3.86Å; L92-I106 HydrophobicContact CD2-CD1 4.25Å; L92-I106 HydrophobicContact CD2-CG1 4.31Å; I106-V108 HydrophobicContact CG2-CG2 4.14Å; I106-R132 WeakPolarHBondContact CA-O 3.2Å; I106-A134 HydrophobicContact CG2-CB 4.32Å; I106-V153 WeakPolarHBondContact O-CA 3.48Å; I106-Y154 PolarHBondContact N-O 2.77Å; I106-Y154 PolarHBondContact O-N 2.81Å; I106-L156 HydrophobicContact CD1-CD1 4.26Å; I106-L156 HydrophobicContact CD1-CD2 4.48Å; I106-L156 HydrophobicContact CD1-CG 4.39Å
107I98Very high95.9Very high0 Ų046.7 Ų46.70%027%0.265CS..EExtended strand (participates in β ladder)trans-95.1110.7175.9-53.2-176.3000108.5V119 V131 R132 R133 A134 S152 V153 F175I107-V119 HydrophobicContact CD1-CB 3.55Å; I107-V119 HydrophobicContact CD1-CG1 3.6Å; I107-V119 HydrophobicContact CD1-CG2 4.03Å; I107-V131 HydrophobicContact CD1-CG1 3.55Å; I107-V131 HydrophobicContact CG1-CG1 3.94Å; I107-R132 PolarHBondContact N-O 2.91Å; I107-R133 CarbonylContact O-C 3.48Å; I107-R133 VanDerWaalsContact O-CA 3.22Å; I107-R133 WeakPolarHBondContact O-CA 3.21Å; I107-A134 PolarHBondContact O-N 3.48Å; I107-S152 WeakPolarHBondContact CA-O 3.5Å; I107-V153 HydrophobicContact CG1-CG1 4.46Å; I107-V153 HydrophobicContact CG1-CG2 4.15Å; I107-F175 HydrophobicContact CD1-CD2 4.49Å; I107-F175 HydrophobicContact CG2-CD2 4.44Å; I107-F175 HydrophobicContact CG2-CE2 4.32Å
108V97.8Very high96.2Very high0 Ų044.7 Ų44.70%024%0.242CC..EExtended strand (participates in β ladder)trans-93.5123.4176.7-168.70000108.6I106 A134 L142 L145 M147 F150 P151 S152I106-V108 HydrophobicContact CG2-CG2 4.14Å; V108-A134 WeakPolarHBondContact CA-O 3.26Å; V108-A134 HydrophobicContact CG2-CB 4.48Å; V108-L142 HydrophobicContact CG1-CD2 3.89Å; V108-L145 HydrophobicContact CG2-CD1 4.41Å; V108-M147 HydrophobicContact CB-CE 4.14Å; V108-M147 HydrophobicContact CG2-CE 3.92Å; V108-M147 HydrophobicContact CG2-SD 3.92Å; V108-F150 HydrophobicContact CB-CD1 4.04Å; V108-F150 HydrophobicContact CB-CE1 4.08Å; V108-F150 HydrophobicContact CG1-CD1 3.74Å; V108-F150 HydrophobicContact CG1-CE1 3.55Å; V108-F150 HydrophobicContact CG1-CZ 4.48Å; V108-P151 VanDerWaalsContact O-CA 3.26Å; V108-P151 WeakPolarHBondContact O-CA 3.31Å; V108-S152 PolarHBondContact N-O 3.15Å; V108-S152 PolarHBondContact O-N 3.05Å
109E97.3Very high96.3Very high0 Ų039.1 Ų39.10%022%0.216CC..EExtended strand (participates in β ladder)trans-147.6165.6-174.266.417916800113.6S113 V115 G116 R133 A134 L135 A136 P151E109-S113 WeakPolarHBondContact OE2-CB 3.5Å; E109-S113 PolarHBondContact OE2-OG 2.86Å; E109-V115 PolarHBondContact OE2-N 3.4Å; E109-V115 VanDerWaalsContact OE2-N 3.09Å; E109-G116 VanDerWaalsContact CD-N 3.26Å; E109-G116 WeakPolarHBondContact OE1-CA 3.43Å; E109-G116 PolarHBondContact OE1-N 3Å; E109-G116 PolarHBondContact OE2-N 2.81Å; E109-R133 IonicContact OE1-CZ 3.17Å; E109-R133 IonicContact OE1-NE 2.74Å; E109-R133 PolarHBondContact OE1-NE 3.08Å; E109-R133 IonicContact OE1-NH2 3.9Å; E109-R133 PolarHBondContact OE1-NH2 2.88Å; E109-A134 PolarHBondContact N-O 2.9Å; E109-A134 VanDerWaalsContact N-O 3.07Å; E109-L135 CarbonylContact O-C 3.6Å; E109-L135 WeakPolarHBondContact O-CA 3.49Å; E109-A136 PolarHBondContact O-N 3.08Å; E109-P151 HydrophobicContact CB-CB 3.8Å
110E97.4Very high96.5Very high110 Ų11029.6 Ų29.651%0.51418%0.181SC..  trans-68.4151.8172.6-66.8-58.8157.900112.3G112 S113E110-G112 PolarHBondContact O-N 3.18Å; E110-G112 VanDerWaalsContact O-N 3.15Å; E110-S113 WeakPolarHBondContact O-CB 3.14Å; E110-S113 PolarHBondContact O-N 3.38Å
111A94.5Very high96.6Very high72 Ų7227.5 Ų27.560%0.59517%0.166SC*.THydrogen-bonded Turntrans-56.4-35.1-177.500000113.8S113 L135A111-S113 VanDerWaalsContact C-N 3.32Å; A111-L135 HydrophobicContact CB-CD2 4.48Å
112G94Very high96.7Very high66 Ų6621.2 Ų21.268%0.6813%0.132SC*.THydrogen-bonded Turntrans-78.4-8175.600000115.1E110 F114E110-G112 PolarHBondContact O-N 3.18Å; E110-G112 VanDerWaalsContact O-N 3.15Å; G112-F114 WeakPolarHBondContact O-CD2 3.49Å
113S95.3Very high96.6Very high24 Ų2419.3 Ų19.317%0.16812%0.124CC..  trans-76.6145.1-179.5179.80000112E109 E110 A111 V115 R117 R133E109-S113 WeakPolarHBondContact OE2-CB 3.5Å; E109-S113 PolarHBondContact OE2-OG 2.86Å; E110-S113 WeakPolarHBondContact O-CB 3.14Å; E110-S113 PolarHBondContact O-N 3.38Å; A111-S113 VanDerWaalsContact C-N 3.32Å; S113-V115 PolarHBondContact OG-N 2.93Å; S113-R117 PolarHBondContact O-NH2 3.01Å; S113-R133 PolarHBondContact O-NH2 2.65Å
114F95.9Very high96.4Very high30 Ų3018.7 Ų18.713%0.13212%0.122CC..  trans-105.7-9.1175.1-78.6-103.7000112.6Q63 V66 N67 G112 G116 R117 E118Q63-F114 HydrophobicContact CB-CD1 3.97Å; Q63-F114 HydrophobicContact CB-CE1 3.81Å; Q63-F114 HydrophobicContact CB-CG 4.44Å; Q63-F114 HydrophobicContact CB-CZ 4.15Å; Q63-F114 HydrophobicContact CG-CB 4.32Å; Q63-F114 HydrophobicContact CG-CD1 3.8Å; Q63-F114 HydrophobicContact CG-CD2 4.16Å; Q63-F114 HydrophobicContact CG-CE1 4.12Å; Q63-F114 HydrophobicContact CG-CE2 4.46Å; Q63-F114 HydrophobicContact CG-CG 3.83Å; Q63-F114 HydrophobicContact CG-CZ 4.44Å; Q63-F114 VanDerWaalsContact NE2-CD2 3.29Å; Q63-F114 WeakPolarHBondContact O-CE1 3.48Å; V66-F114 HydrophobicContact CB-CD1 3.98Å; V66-F114 HydrophobicContact CB-CE1 4.13Å; V66-F114 HydrophobicContact CG1-CD1 3.8Å; V66-F114 HydrophobicContact CG1-CE1 3.99Å; V66-F114 HydrophobicContact CG2-CD1 4.44Å; N67-F114 WeakPolarHBondContact OD1-CE1 3.31Å; N67-F114 VanDerWaalsContact OD1-CZ 3.26Å; N67-F114 WeakPolarHBondContact OD1-CZ 3.38Å; G112-F114 WeakPolarHBondContact O-CD2 3.49Å; F114-G116 PolarHBondContact O-N 3.31Å; F114-R117 PolarHBondContact O-N 3.45Å; F114-E118 HydrophobicContact CB-CG 4.2Å; F114-E118 WeakPolarHBondContact O-CB 3.45Å; F114-E118 WeakPolarHBondContact O-CG 3.46Å; F114-E118 PolarHBondContact O-N 2.73Å
115V96.7Very high96.1Very high22 Ų2218.5 Ų18.513%0.13312%0.121CC..Hα-helixtrans-57.2-47-170176.30000111.7E109 S113 E118 V119 P151 R172 F175E109-V115 PolarHBondContact OE2-N 3.4Å; E109-V115 VanDerWaalsContact OE2-N 3.09Å; S113-V115 PolarHBondContact OG-N 2.93Å; V115-E118 PolarHBondContact O-N 2.74Å; V115-V119 HydrophobicContact CG1-CG2 4.25Å; V115-V119 WeakPolarHBondContact O-CG2 3.35Å; V115-V119 PolarHBondContact O-N 2.94Å; V115-P151 HydrophobicContact CB-CB 4.5Å; V115-P151 HydrophobicContact CB-CG 4.41Å; V115-P151 HydrophobicContact CG1-CG 4.48Å; V115-P151 HydrophobicContact CG2-CG 4.25Å; V115-R172 HydrophobicContact CG1-CB 4.29Å; V115-F175 HydrophobicContact CG1-CD2 3.55Å; V115-F175 HydrophobicContact CG1-CE2 3.64Å
116G96.9Very high95.8Very high0 Ų019.4 Ų19.40%013%0.125CC..Hα-helixtrans-59-51.7177.800000112.3E109 F114 E118 V119 I120E109-G116 VanDerWaalsContact CD-N 3.26Å; E109-G116 WeakPolarHBondContact OE1-CA 3.43Å; E109-G116 PolarHBondContact OE1-N 3Å; E109-G116 PolarHBondContact OE2-N 2.81Å; F114-G116 PolarHBondContact O-N 3.31Å; G116-E118 VanDerWaalsContact C-N 3.3Å; G116-E118 PolarHBondContact O-N 2.56Å; G116-V119 PolarHBondContact O-N 3Å; G116-I120 WeakPolarHBondContact O-CB 3.14Å; G116-I120 WeakPolarHBondContact O-CD1 3.21Å; G116-I120 WeakPolarHBondContact O-CG1 3.33Å; G116-I120 PolarHBondContact O-N 3.07Å
117R96.9Very high95.6Very high13 Ų1321.7 Ų21.75%0.04914%0.141CC..Hα-helixtrans-59.1-38.9178-67.5175.4-80.9163.60.2112.6V66 L84 S113 F114 L121V66-R117 HydrophobicContact CG1-CB 3.61Å; V66-R117 HydrophobicContact CG1-CG 4.17Å; L84-R117 HydrophobicContact CB-CG 4.21Å; S113-R117 PolarHBondContact O-NH2 3.01Å; F114-R117 PolarHBondContact O-N 3.45Å; R117-L121 WeakPolarHBondContact O-CG 3.45Å; R117-L121 PolarHBondContact O-N 3.38Å
118E97.1Very high95.4Very high7 Ų722.9 Ų22.93%0.03315%0.153CC..Hα-helixtrans-73.3-37179.8-67.7175.414500113W4 R62 V66 F114 V115 G116 L121 D122 R172W4-E118 HydrophobicContact CH2-CB 4.5Å; W4-E118 HydrophobicContact CH2-CG 4.12Å; W4-E118 HydrophobicContact CZ2-CB 4.16Å; W4-E118 HydrophobicContact CZ2-CG 4.27Å; R62-E118 WeakPolarHBondContact CD-OE1 3.48Å; R62-E118 HydrophobicContact CG-CG 4.47Å; R62-E118 WeakPolarHBondContact CG-OE1 3.19Å; R62-E118 IonicContact CZ-OE1 3.49Å; R62-E118 IonicContact CZ-OE2 3.44Å; R62-E118 IonicContact NE-OE1 2.8Å; R62-E118 PolarHBondContact NE-OE1 3.07Å; R62-E118 IonicContact NH1-OE1 2.66Å; R62-E118 PolarHBondContact NH1-OE1 3.41Å; R62-E118 IonicContact NH1-OE2 3.4Å; R62-E118 PolarHBondContact NH1-OE2 3.44Å; V66-E118 HydrophobicContact CG2-CG 4.08Å; F114-E118 HydrophobicContact CB-CG 4.2Å; F114-E118 WeakPolarHBondContact O-CB 3.45Å; F114-E118 WeakPolarHBondContact O-CG 3.46Å; F114-E118 PolarHBondContact O-N 2.73Å; V115-E118 PolarHBondContact O-N 2.74Å; G116-E118 VanDerWaalsContact C-N 3.3Å; G116-E118 PolarHBondContact O-N 2.56Å; E118-L121 PolarHBondContact O-N 2.83Å; E118-D122 WeakPolarHBondContact O-CB 3.1Å; E118-D122 PolarHBondContact O-N 3.09Å; E118-R172 HydrophobicContact CB-CG 4.07Å; E118-R172 WeakPolarHBondContact OE2-CD 3.45Å
119V97.4Very high95.3Very high0 Ų023.6 Ų23.60%016%0.157CC..Hα-helixtrans-71.8-37.3175.5178.10000110.8I107 V115 G116 L121 D122 L123 V131 R172 F175 L179I107-V119 HydrophobicContact CD1-CB 3.55Å; I107-V119 HydrophobicContact CD1-CG1 3.6Å; I107-V119 HydrophobicContact CD1-CG2 4.03Å; V115-V119 HydrophobicContact CG1-CG2 4.25Å; V115-V119 WeakPolarHBondContact O-CG2 3.35Å; V115-V119 PolarHBondContact O-N 2.94Å; G116-V119 PolarHBondContact O-N 3Å; V119-L121 VanDerWaalsContact C-N 3.31Å; V119-L121 PolarHBondContact O-N 3.17Å; V119-D122 PolarHBondContact O-N 3.16Å; V119-L123 HydrophobicContact CG1-CD2 4.05Å; V119-L123 PolarHBondContact O-N 3.04Å; V119-V131 HydrophobicContact CG1-CG1 4.25Å; V119-R172 HydrophobicContact CG2-CB 4.27Å; V119-R172 HydrophobicContact CG2-CG 3.87Å; V119-F175 HydrophobicContact CG1-CB 4.3Å; V119-F175 HydrophobicContact CG2-CB 3.85Å; V119-F175 HydrophobicContact CG2-CD2 4.36Å; V119-L179 HydrophobicContact CG1-CD1 3.88Å
120I97.3Very high95.3Very high5 Ų526.3 Ų26.33%0.02617%0.17CC..Hα-helixtrans-53.6-49.1171.1-71.7164.7000110.6P82 L84 G116 L123 L124 V131 R133P82-I120 HydrophobicContact CB-CG2 4.01Å; P82-I120 HydrophobicContact CG-CG2 3.46Å; P82-I120 VanDerWaalsContact CG-CG2 3.46Å; L84-I120 HydrophobicContact CD2-CB 4.32Å; L84-I120 HydrophobicContact CD2-CG2 3.79Å; G116-I120 WeakPolarHBondContact O-CB 3.14Å; G116-I120 WeakPolarHBondContact O-CD1 3.21Å; G116-I120 WeakPolarHBondContact O-CG1 3.33Å; G116-I120 PolarHBondContact O-N 3.07Å; I120-L123 PolarHBondContact O-N 3.36Å; I120-L124 PolarHBondContact O-N 2.91Å; I120-V131 HydrophobicContact CB-CB 4.47Å; I120-V131 HydrophobicContact CG1-CB 3.77Å; I120-V131 HydrophobicContact CG1-CG1 3.59Å; I120-R133 HydrophobicContact CD1-CB 4.18Å; I120-R133 HydrophobicContact CD1-CG 4.18Å
121L95.7Very high95.3Very high0 Ų021.7 Ų21.70%015%0.149CC..Hα-helixtrans-72.2-30178.4-65.1170.5000113.1W4 A7 V66 L69 L84 R117 E118 V119 L123 L124W4-L121 VanDerWaalsContact CD1-C 3.41Å; W4-L121 HydrophobicContact CD2-CB 3.71Å; W4-L121 HydrophobicContact CD2-CD1 4.05Å; W4-L121 HydrophobicContact CD2-CG 4.49Å; W4-L121 VanDerWaalsContact CE2-CB 3.46Å; W4-L121 HydrophobicContact CE3-CB 4.38Å; W4-L121 HydrophobicContact CE3-CD1 3.85Å; W4-L121 HydrophobicContact CG-CB 3.85Å; W4-L121 HydrophobicContact CH2-CD1 3.92Å; W4-L121 HydrophobicContact CZ2-CB 3.92Å; W4-L121 HydrophobicContact CZ2-CD1 4.15Å; W4-L121 HydrophobicContact CZ3-CD1 3.78Å; A7-L121 HydrophobicContact CB-CD2 4.17Å; V66-L121 HydrophobicContact CG2-CD1 4Å; L69-L121 HydrophobicContact CD1-CD1 3.84Å; L69-L121 HydrophobicContact CD1-CD2 3.92Å; L84-L121 HydrophobicContact CD1-CD1 4.46Å; L84-L121 HydrophobicContact CD2-CD1 4.45Å; L84-L121 HydrophobicContact CD2-CD2 4.16Å; L84-L121 HydrophobicContact CD2-CG 4.05Å; R117-L121 WeakPolarHBondContact O-CG 3.45Å; R117-L121 PolarHBondContact O-N 3.38Å; E118-L121 PolarHBondContact O-N 2.83Å; V119-L121 VanDerWaalsContact C-N 3.31Å; V119-L121 PolarHBondContact O-N 3.17Å; L121-L123 VanDerWaalsContact C-N 3.29Å; L121-L123 PolarHBondContact O-N 3.24Å; L121-L124 VanDerWaalsContact O-CB 3.24Å; L121-L124 WeakPolarHBondContact O-CB 3.22Å; L121-L124 PolarHBondContact O-N 3.34Å
122D95.3Very high95.4Very high10 Ų1020.4 Ų20.45%0.05313%0.129CC..Hα-helixtrans-66.5-28.4174.2-75.9-12.7000113.4W4 E118 V119 R172 S176 R180W4-D122 PolarHBondContact NE1-OD1 3.45Å; E118-D122 WeakPolarHBondContact O-CB 3.1Å; E118-D122 PolarHBondContact O-N 3.09Å; V119-D122 PolarHBondContact O-N 3.16Å; D122-R172 IonicContact OD1-CZ 3.35Å; D122-R172 IonicContact OD1-NE 2.73Å; D122-R172 IonicContact OD1-NH2 3.15Å; D122-R172 PolarHBondContact OD1-NH2 3.43Å; D122-R172 IonicContact OD2-CZ 3.49Å; D122-R172 IonicContact OD2-NE 3.45Å; D122-R172 PolarHBondContact OD2-NE 3.2Å; D122-R172 IonicContact OD2-NH2 2.72Å; D122-R172 PolarHBondContact OD2-NH2 2.94Å; D122-S176 WeakPolarHBondContact CB-OG 3.39Å; D122-S176 PolarHBondContact OD2-OG 2.85Å; D122-R180 PolarHBondContact O-NH2 3.43Å
123L94.9Very high95.6Very high8 Ų817.6 Ų17.64%0.04210%0.098CC..THydrogen-bonded Turntrans-95.82.3-179.4-85.2-63.2000112.9V119 I120 L121 Q125 F126 V129 V131 L179 R180V119-L123 HydrophobicContact CG1-CD2 4.05Å; V119-L123 PolarHBondContact O-N 3.04Å; I120-L123 PolarHBondContact O-N 3.36Å; L121-L123 VanDerWaalsContact C-N 3.29Å; L121-L123 PolarHBondContact O-N 3.24Å; L123-Q125 VanDerWaalsContact C-N 3.32Å; L123-Q125 PolarHBondContact O-N 3.33Å; L123-F126 HydrophobicContact CD1-CB 3.93Å; L123-F126 HydrophobicContact CD1-CD1 4.47Å; L123-F126 HydrophobicContact CD1-CD2 3.93Å; L123-F126 HydrophobicContact CD1-CG 3.84Å; L123-F126 WeakPolarHBondContact O-CB 3.3Å; L123-F126 PolarHBondContact O-N 2.93Å; L123-V129 HydrophobicContact CD1-CG1 3.72Å; L123-V129 HydrophobicContact CG-CG1 4.27Å; L123-V131 HydrophobicContact CB-CG2 3.87Å; L123-V131 HydrophobicContact CG-CG2 4.02Å; L123-L179 HydrophobicContact CD1-CB 4.36Å; L123-L179 HydrophobicContact CD2-CB 4.41Å; L123-L179 HydrophobicContact CG-CB 4.35Å; L123-R180 HydrophobicContact CD1-CG 3.67Å; L123-R180 HydrophobicContact CD2-CG 4.39Å
124L92.7Very high95.7Very high15 Ų1516.4 Ų16.48%0.0799%0.09CC..THydrogen-bonded Turntrans-49.9-46.3-178.1179.152000114.1E6 A7 S80 P82 I120 L121 F126E6-L124 HydrophobicContact CB-CD2 4.07Å; E6-L124 HydrophobicContact CB-CG 4.48Å; A7-L124 HydrophobicContact CB-CD2 3.78Å; S80-L124 VanDerWaalsContact O-CD1 3.29Å; S80-L124 WeakPolarHBondContact O-CD1 3.4Å; P82-L124 HydrophobicContact CG-CD1 4.28Å; I120-L124 PolarHBondContact O-N 2.91Å; L121-L124 VanDerWaalsContact O-CB 3.24Å; L121-L124 WeakPolarHBondContact O-CB 3.22Å; L121-L124 PolarHBondContact O-N 3.34Å; L124-F126 PolarHBondContact O-N 3.18Å
125Q90.7Very high95.8Very high5 Ų516.8 Ų16.82%0.0239%0.093CC..THydrogen-bonded Turntrans-84.811.9-179.1-76.9171.558.700114.1D3 H5 L123 R188D3-Q125 VanDerWaalsContact CA-NE2 3.28Å; D3-Q125 PolarHBondContact O-NE2 3.19Å; H5-Q125 PolarHBondContact CE1-NE2 3.32Å; H5-Q125 PolarHBondContact CE1-OE1 2.76Å; H5-Q125 PolarHBondContact ND1-NE2 3.2Å; L123-Q125 VanDerWaalsContact C-N 3.32Å; L123-Q125 PolarHBondContact O-N 3.33Å; Q125-R188 WeakPolarHBondContact O-CG 3.3Å; Q125-R188 PolarHBondContact O-N 3.06Å
126F92.9Very high95.8Very high19 Ų1916.4 Ų16.48%0.0839%0.092CC..EExtended strand (participates in β ladder)trans-105.2148.9179.5-66.1-101.1000110.7L123 L124 V129 R180 V185 Q186 R187 R188L123-F126 HydrophobicContact CD1-CB 3.93Å; L123-F126 HydrophobicContact CD1-CD1 4.47Å; L123-F126 HydrophobicContact CD1-CD2 3.93Å; L123-F126 HydrophobicContact CD1-CG 3.84Å; L123-F126 WeakPolarHBondContact O-CB 3.3Å; L123-F126 PolarHBondContact O-N 2.93Å; L124-F126 PolarHBondContact O-N 3.18Å; F126-V129 HydrophobicContact CB-CG1 4.37Å; F126-R180 HydrophobicContact CD1-CG 4.2Å; F126-R180 HydrophobicContact CE1-CB 4.32Å; F126-R180 HydrophobicContact CE1-CG 3.77Å; F126-R180 HydrophobicContact CE2-CG 4.15Å; F126-R180 HydrophobicContact CZ-CG 3.76Å; F126-V185 HydrophobicContact CB-CG1 4.19Å; F126-V185 HydrophobicContact CD1-CG1 4.01Å; F126-V185 HydrophobicContact CG-CG1 4.5Å; F126-Q186 CarbonylContact C-O 3.54Å; F126-Q186 VanDerWaalsContact CA-O 3.27Å; F126-Q186 WeakPolarHBondContact CA-O 3.48Å; F126-R187 HydrophobicContact CD1-CB 4.16Å; F126-R187 HydrophobicContact CE1-CB 3.83Å; F126-R187 HydrophobicContact CE1-CG 4.11Å; F126-R187 HydrophobicContact CE2-CG 4.38Å; F126-R187 HydrophobicContact CZ-CB 4.25Å; F126-R187 HydrophobicContact CZ-CG 4.02Å; F126-R188 PolarHBondContact O-NE 3.06Å; F126-R188 VanDerWaalsContact O-NE 3.15Å; F126-R188 PolarHBondContact O-NH2 2.91Å; F126-R188 VanDerWaalsContact O-NH2 3.15Å
127S93.1Very high95.7Very high50 Ų5020.6 Ų20.635%0.3512%0.121SC..EExtended strand (participates in β ladder)trans-109.3162.6167.754.70000109.3V129 V185 Q186S127-V129 VanDerWaalsContact C-N 3.27Å; S127-V129 PolarHBondContact O-N 2.75Å; S127-V185 WeakPolarHBondContact O-CA 3.22Å; S127-Q186 PolarHBondContact N-O 3.21Å; S127-Q186 PolarHBondContact O-N 3.1Å; S127-Q186 PolarHBondContact OG-O 3.33Å
128G93.9Very high95.7Very high24 Ų2421.2 Ų21.225%0.24713%0.126CC..SBendtrans80.7-4.9-17800000114.9H102 Y103H102-G128 CarbonylContact C-O 3.54Å; H102-G128 WeakPolarHBondContact CA-O 3.48Å; H102-G128 WeakPolarHBondContact CB-O 3.42Å; Y103-G128 WeakPolarHBondContact CD2-O 3.42Å; Y103-G128 PolarHBondContact N-O 2.92Å
129V96.3Very high95.6Very high16 Ų1626.2 Ų26.210%0.09715%0.152CC..EExtended strand (participates in β ladder)trans-139.9137.1172.760.10000111.9Y103 L123 F126 S127 V131 V185Y103-V129 CarbonylContact O-C 3.59Å; Y103-V129 WeakPolarHBondContact O-CA 3.48Å; L123-V129 HydrophobicContact CD1-CG1 3.72Å; L123-V129 HydrophobicContact CG-CG1 4.27Å; F126-V129 HydrophobicContact CB-CG1 4.37Å; S127-V129 VanDerWaalsContact C-N 3.27Å; S127-V129 PolarHBondContact O-N 2.75Å; V129-V131 HydrophobicContact CG2-CG2 4.41Å; V129-V185 HydrophobicContact CB-CG2 3.75Å; V129-V185 HydrophobicContact CG1-CB 4.47Å; V129-V185 HydrophobicContact CG1-CG1 3.71Å; V129-V185 HydrophobicContact CG1-CG2 3.86Å
130E95.9Very high95.6Very high57 Ų5729.9 Ų29.927%0.26618%0.176SC..EExtended strand (participates in β ladder)trans-111.1140164.5-163.6-164.9156.300108.7H102 Y103 T104 A105 R132H102-E130 IonicContact NE2-OE2 3.62Å; Y103-E130 PolarHBondContact O-N 3.05Å; T104-E130 CarbonylContact C-O 3.6Å; T104-E130 WeakPolarHBondContact CA-O 3.43Å; A105-E130 PolarHBondContact N-O 2.65Å; E130-R132 VanDerWaalsContact CD-NE 3.34Å; E130-R132 VanDerWaalsContact CD-NH2 3.33Å; E130-R132 IonicContact OE1-CZ 2.72Å; E130-R132 IonicContact OE1-NE 2.71Å; E130-R132 PolarHBondContact OE1-NE 2.76Å; E130-R132 IonicContact OE1-NH2 2.73Å; E130-R132 PolarHBondContact OE1-NH2 3.2Å; E130-R132 VanDerWaalsContact OE1-NH2 3.15Å; E130-R132 IonicContact OE2-CZ 3.51Å; E130-R132 IonicContact OE2-NE 3.2Å; E130-R132 PolarHBondContact OE2-NE 3.06Å; E130-R132 IonicContact OE2-NH2 3.39Å; E130-R132 PolarHBondContact OE2-NH2 2.89Å
131V97.6Very high95.5Very high13 Ų1329.7 Ų29.78%0.07918%0.175CC..EExtended strand (participates in β ladder)trans-113.8131.8174.6-170.60000108.6A105 I107 V119 I120 L123 V129 L179A105-V131 HydrophobicContact CB-CG1 4.46Å; A105-V131 HydrophobicContact CB-CG2 4.44Å; A105-V131 CarbonylContact O-C 3.59Å; A105-V131 WeakPolarHBondContact O-CA 3.2Å; I107-V131 HydrophobicContact CD1-CG1 3.55Å; I107-V131 HydrophobicContact CG1-CG1 3.94Å; V119-V131 HydrophobicContact CG1-CG1 4.25Å; I120-V131 HydrophobicContact CB-CB 4.47Å; I120-V131 HydrophobicContact CG1-CB 3.77Å; I120-V131 HydrophobicContact CG1-CG1 3.59Å; L123-V131 HydrophobicContact CB-CG2 3.87Å; L123-V131 HydrophobicContact CG-CG2 4.02Å; V129-V131 HydrophobicContact CG2-CG2 4.41Å; V131-L179 HydrophobicContact CG2-CD1 3.95Å
132R97.4Very high95.5Very high44 Ų4430.7 Ų30.717%0.16618%0.18CC..EExtended strand (participates in β ladder)trans-124.9159.7172.8-62.4-172.9-174.8170.312.6109Y87 L92 L95 T104 A105 I106 I107 E130Y87-R132 HydrophobicContact CD2-CB 3.96Å; Y87-R132 HydrophobicContact CD2-CG 4.27Å; Y87-R132 HydrophobicContact CE2-CB 4.05Å; Y87-R132 HydrophobicContact CE2-CG 3.93Å; L92-R132 HydrophobicContact CD2-CB 4.45Å; L95-R132 VanDerWaalsContact CD1-NH1 3.26Å; T104-R132 HydrophobicContact CG2-CG 4.42Å; A105-R132 PolarHBondContact O-N 3.43Å; A105-R132 VanDerWaalsContact O-O 3.12Å; I106-R132 WeakPolarHBondContact CA-O 3.2Å; I107-R132 PolarHBondContact N-O 2.91Å; E130-R132 VanDerWaalsContact CD-NE 3.34Å; E130-R132 VanDerWaalsContact CD-NH2 3.33Å; E130-R132 IonicContact OE1-CZ 2.72Å; E130-R132 IonicContact OE1-NE 2.71Å; E130-R132 PolarHBondContact OE1-NE 2.76Å; E130-R132 IonicContact OE1-NH2 2.73Å; E130-R132 PolarHBondContact OE1-NH2 3.2Å; E130-R132 VanDerWaalsContact OE1-NH2 3.15Å; E130-R132 IonicContact OE2-CZ 3.51Å; E130-R132 IonicContact OE2-NE 3.2Å; E130-R132 PolarHBondContact OE2-NE 3.06Å; E130-R132 IonicContact OE2-NH2 3.39Å; E130-R132 PolarHBondContact OE2-NH2 2.89Å
133R96.9Very high95.4Very high7 Ų736.6 Ų36.63%0.02621%0.211CC..EExtended strand (participates in β ladder)trans-123.2150.6174.870.8-171-68.7-117.7-1.2111.5L84 P86 Y87 I107 E109 S113 I120L84-R133 VanDerWaalsContact O-CD 3.3Å; L84-R133 WeakPolarHBondContact O-CD 3.43Å; L84-R133 PolarHBondContact O-NH1 3.22Å; L84-R133 VanDerWaalsContact O-NH1 3.08Å; P86-R133 WeakPolarHBondContact CA-O 3.42Å; Y87-R133 PolarHBondContact N-O 3.47Å; I107-R133 CarbonylContact O-C 3.48Å; I107-R133 VanDerWaalsContact O-CA 3.22Å; I107-R133 WeakPolarHBondContact O-CA 3.21Å; E109-R133 IonicContact OE1-CZ 3.17Å; E109-R133 IonicContact OE1-NE 2.74Å; E109-R133 PolarHBondContact OE1-NE 3.08Å; E109-R133 IonicContact OE1-NH2 3.9Å; E109-R133 PolarHBondContact OE1-NH2 2.88Å; S113-R133 PolarHBondContact O-NH2 2.65Å; I120-R133 HydrophobicContact CD1-CB 4.18Å; I120-R133 HydrophobicContact CD1-CG 4.18Å
134A97.8Very high95.4Very high0 Ų040.1 Ų40.10%023%0.233CC..EExtended strand (participates in β ladder)trans-134.7162.3172.100000109.6L92 I106 I107 V108 E109 L141L92-A134 HydrophobicContact CD1-CB 3.88Å; I106-A134 HydrophobicContact CG2-CB 4.32Å; I107-A134 PolarHBondContact O-N 3.48Å; V108-A134 WeakPolarHBondContact CA-O 3.26Å; V108-A134 HydrophobicContact CG2-CB 4.48Å; E109-A134 PolarHBondContact N-O 2.9Å; E109-A134 VanDerWaalsContact N-O 3.07Å; A134-L141 HydrophobicContact CB-CD2 3.39Å
135L97.9Very high95.5Very high38 Ų3839.8 Ų39.820%0.19923%0.231CC..EExtended strand (participates in β ladder)trans-96.2143.8178.4-60.7-176000111.3P86 E109 A111 S137 D138P86-L135 HydrophobicContact CB-CD1 4.23Å; P86-L135 HydrophobicContact CB-CD2 4.12Å; P86-L135 HydrophobicContact CB-CG 3.7Å; P86-L135 HydrophobicContact CG-CD1 4.14Å; P86-L135 HydrophobicContact CG-CG 4.16Å; E109-L135 CarbonylContact O-C 3.6Å; E109-L135 WeakPolarHBondContact O-CA 3.49Å; A111-L135 HydrophobicContact CB-CD2 4.48Å; L135-S137 WeakPolarHBondContact CB-OG 3.12Å; L135-S137 PolarHBondContact O-N 3.29Å; L135-D138 WeakPolarHBondContact O-CB 3.49Å; L135-D138 PolarHBondContact O-N 2.75Å
136A96.7Very high95.6Very high13 Ų1346.7 Ų46.711%0.10727%0.269CS..THydrogen-bonded Turntrans-59.6-12.7170.300000113.8E109 D138 L142 F150E109-A136 PolarHBondContact O-N 3.08Å; A136-D138 VanDerWaalsContact C-N 3.33Å; A136-L142 VanDerWaalsContact O-CD1 3.31Å; A136-L142 WeakPolarHBondContact O-CD1 3.41Å; A136-F150 HydrophobicContact CB-CD1 4.27Å; A136-F150 HydrophobicContact CB-CD2 3.54Å; A136-F150 HydrophobicContact CB-CE1 4.39Å; A136-F150 HydrophobicContact CB-CE2 3.67Å; A136-F150 HydrophobicContact CB-CG 3.88Å; A136-F150 HydrophobicContact CB-CZ 4.12Å
137S96.6Very high95.4Very high89 Ų8946.8 Ų46.862%0.62227%0.27SS*.THydrogen-bonded Turntrans-79.2-9.1172.760.20000114.5L135 L139L135-S137 WeakPolarHBondContact CB-OG 3.12Å; L135-S137 PolarHBondContact O-N 3.29Å; S137-L139 PolarHBondContact O-N 2.88Å; S137-L139 VanDerWaalsContact O-N 3.15Å
138D96.5Very high95.2Very high26 Ų2649.3 Ų49.314%0.13929%0.293CS..  trans-86.176.5179.5-164.6-18.1000110.8N88 A89 L135 A136 P140 L141 L142N88-D138 WeakPolarHBondContact CA-OD2 3.22Å; N88-D138 WeakPolarHBondContact CB-OD2 3.34Å; A89-D138 PolarHBondContact N-OD2 2.84Å; L135-D138 WeakPolarHBondContact O-CB 3.49Å; L135-D138 PolarHBondContact O-N 2.75Å; A136-D138 VanDerWaalsContact C-N 3.33Å; D138-P140 WeakPolarHBondContact OD1-CD 3.47Å; D138-L141 HydrophobicContact CB-CB 4.18Å; D138-L141 WeakPolarHBondContact O-CB 3.28Å; D138-L141 PolarHBondContact O-N 2.64Å; D138-L142 PolarHBondContact O-N 3.14Å; D138-L142 VanDerWaalsContact O-N 3.17Å
139L95.4Very high95Very high111 Ų11151.1 Ų51.158%0.58131%0.306SS*.Hα-helixtrans-54.1-44.4-176.4-54.7176.9000113.5S137 L141 L142 D143S137-L139 PolarHBondContact O-N 2.88Å; S137-L139 VanDerWaalsContact O-N 3.15Å; L139-L141 PolarHBondContact O-N 2.59Å; L139-L141 VanDerWaalsContact O-N 3.16Å; L139-L142 HydrophobicContact CD2-CD1 4.38Å; L139-L142 PolarHBondContact O-N 3Å; L139-D143 PolarHBondContact O-N 3.16Å
140P96.1Very high94.9Very high78 Ų7853.1 Ų53.151%0.50631%0.314SS..Hα-helixtrans-57.9-28.8175.8-26.435.4000114.8A89 D138A89-P140 HydrophobicContact CB-CB 3.97Å; D138-P140 WeakPolarHBondContact OD1-CD 3.47Å
141L95.9Very high94.9Very high1 Ų151.6 Ų51.61%0.00531%0.308CS..Hα-helixtrans-74.4-44.8172.6-175.664.2000110.9A89 L92 L93 A134 D138 L139 D143 V144 L145A89-L141 HydrophobicContact CB-CB 4.05Å; L92-L141 HydrophobicContact CB-CD1 4.12Å; L92-L141 HydrophobicContact CD1-CD1 4.43Å; L92-L141 HydrophobicContact CD1-CD2 3.82Å; L93-L141 HydrophobicContact CD2-CD1 3.7Å; L93-L141 HydrophobicContact CG-CD1 4.21Å; A134-L141 HydrophobicContact CB-CD2 3.39Å; D138-L141 HydrophobicContact CB-CB 4.18Å; D138-L141 WeakPolarHBondContact O-CB 3.28Å; D138-L141 PolarHBondContact O-N 2.64Å; L139-L141 PolarHBondContact O-N 2.59Å; L139-L141 VanDerWaalsContact O-N 3.16Å; L141-D143 PolarHBondContact O-N 2.93Å; L141-V144 PolarHBondContact O-N 3.09Å; L141-L145 HydrophobicContact CD1-CD1 3.77Å; L141-L145 HydrophobicContact CD1-CG 3.99Å; L141-L145 HydrophobicContact CD2-CD1 4.35Å; L141-L145 HydrophobicContact CG-CD1 3.78Å; L141-L145 HydrophobicContact CG-CG 4.21Å; L141-L145 WeakPolarHBondContact O-CG 3.21Å; L141-L145 PolarHBondContact O-N 2.86Å
142L95.1Very high94.8Very high21 Ų2152.6 Ų52.611%0.1132%0.316CS..Hα-helixtrans-62.5-40.1-179.2-64.3-172.8000113V108 A136 D138 L139 V144 L145 N146 M147 F150V108-L142 HydrophobicContact CG1-CD2 3.89Å; A136-L142 VanDerWaalsContact O-CD1 3.31Å; A136-L142 WeakPolarHBondContact O-CD1 3.41Å; D138-L142 PolarHBondContact O-N 3.14Å; D138-L142 VanDerWaalsContact O-N 3.17Å; L139-L142 HydrophobicContact CD2-CD1 4.38Å; L139-L142 PolarHBondContact O-N 3Å; L142-V144 VanDerWaalsContact C-N 3.26Å; L142-V144 PolarHBondContact O-N 3.24Å; L142-L145 PolarHBondContact O-N 3.15Å; L142-N146 WeakPolarHBondContact O-CA 3.4Å; L142-N146 PolarHBondContact O-N 2.95Å; L142-M147 HydrophobicContact CD2-CB 4.26Å; L142-F150 HydrophobicContact CD1-CE2 4.31Å; L142-F150 HydrophobicContact CD1-CZ 3.72Å; L142-F150 HydrophobicContact CD2-CE1 3.67Å; L142-F150 HydrophobicContact CD2-CZ 3.53Å; L142-F150 HydrophobicContact CG-CZ 4.3Å
143D94.1Very high94.8Very high133 Ų13350.7 Ų50.771%0.71131%0.31SS*.Hα-helixtrans-60-36.1179.3-69.7-24000112L139 L141L139-D143 PolarHBondContact O-N 3.16Å; L141-D143 PolarHBondContact O-N 2.93Å
144V94.6Very high94.8Very high82 Ų8251.2 Ų51.250%0.49731%0.311SS..Hα-helixtrans-84.5-39.1179-178.60000112.1L93 L96 L141 L142 N146L93-V144 HydrophobicContact CD1-CG2 4.17Å; L93-V144 HydrophobicContact CD2-CB 3.75Å; L93-V144 HydrophobicContact CD2-CG1 3.82Å; L93-V144 HydrophobicContact CD2-CG2 4.02Å; L96-V144 HydrophobicContact CD1-CG1 3.8Å; L141-V144 PolarHBondContact O-N 3.09Å; L142-V144 VanDerWaalsContact C-N 3.26Å; L142-V144 PolarHBondContact O-N 3.24Å; V144-N146 VanDerWaalsContact C-N 3.31Å
145L93.7Very high94.8Very high8 Ų851.4 Ų51.44%0.04231%0.312CS..Hα-helixtrans-78.3-15.5179.7-60-172000113.3L96 V108 L141 L142 M147 Y154L96-L145 HydrophobicContact CD1-CD2 4.28Å; L96-L145 HydrophobicContact CD2-CD2 4.06Å; V108-L145 HydrophobicContact CG2-CD1 4.41Å; L141-L145 HydrophobicContact CD1-CD1 3.77Å; L141-L145 HydrophobicContact CD1-CG 3.99Å; L141-L145 HydrophobicContact CD2-CD1 4.35Å; L141-L145 HydrophobicContact CG-CD1 3.78Å; L141-L145 HydrophobicContact CG-CG 4.21Å; L141-L145 WeakPolarHBondContact O-CG 3.21Å; L141-L145 PolarHBondContact O-N 2.86Å; L142-L145 PolarHBondContact O-N 3.15Å; L145-M147 HydrophobicContact CB-CG 3.85Å; L145-M147 HydrophobicContact CB-SD 3.77Å; L145-M147 HydrophobicContact CD1-SD 3.84Å; L145-M147 HydrophobicContact CG-SD 4.48Å; L145-Y154 HydrophobicContact CB-CD2 4.06Å; L145-Y154 HydrophobicContact CB-CE2 4.05Å; L145-Y154 HydrophobicContact CD1-CD2 4.35Å; L145-Y154 HydrophobicContact CD1-CG 4.16Å; L145-Y154 HydrophobicContact CD2-CD1 3.83Å; L145-Y154 HydrophobicContact CD2-CD2 4.11Å; L145-Y154 HydrophobicContact CD2-CE1 3.66Å; L145-Y154 HydrophobicContact CD2-CE2 3.96Å; L145-Y154 HydrophobicContact CD2-CG 4.04Å; L145-Y154 HydrophobicContact CG-CD2 4.4Å
146N93.2Very high94.8Very high151 Ų15150 Ų5081%0.80731%0.306SS*.THydrogen-bonded Turntrans53.553.9-176.6-168.828.3000112.8L142 V144L142-N146 WeakPolarHBondContact O-CA 3.4Å; L142-N146 PolarHBondContact O-N 2.95Å; V144-N146 VanDerWaalsContact C-N 3.31Å
147M89.3Confident94.8Very high21 Ų2152.1 Ų52.110%0.10331%0.313CS..  trans-115.5129.6-174.9-64.9177.870.700111.9V108 L142 L145 F150 Y154V108-M147 HydrophobicContact CB-CE 4.14Å; V108-M147 HydrophobicContact CG2-CE 3.92Å; V108-M147 HydrophobicContact CG2-SD 3.92Å; L142-M147 HydrophobicContact CD2-CB 4.26Å; L145-M147 HydrophobicContact CB-CG 3.85Å; L145-M147 HydrophobicContact CB-SD 3.77Å; L145-M147 HydrophobicContact CD1-SD 3.84Å; L145-M147 HydrophobicContact CG-SD 4.48Å; M147-F150 HydrophobicContact CB-CE1 4.23Å; M147-Y154 HydrophobicContact CG-CD2 4.43Å; M147-Y154 HydrophobicContact SD-CD2 3.83Å; M147-Y154 HydrophobicContact SD-CG 4.33Å
148A88Confident94.7Very high102 Ų10249.7 Ų49.784%0.84330%0.295SS*.  trans-128.44.8-175.200000115.1
149A90.9Very high94.6Very high63 Ų6353.1 Ų53.152%0.52131%0.313SS..SBendtrans-134.5136.7-179.500000110.1S152A149-S152 VanDerWaalsContact O-CB 3.27Å; A149-S152 WeakPolarHBondContact O-CB 3.47Å; A149-S152 PolarHBondContact O-OG 2.93Å
150F93.4Very high94.4Very high58 Ų5848.4 Ų48.425%0.25429%0.292SS..SBendtrans-135.4147.9-173.8-50.7-62.1000112V108 A136 L142 M147V108-F150 HydrophobicContact CB-CD1 4.04Å; V108-F150 HydrophobicContact CB-CE1 4.08Å; V108-F150 HydrophobicContact CG1-CD1 3.74Å; V108-F150 HydrophobicContact CG1-CE1 3.55Å; V108-F150 HydrophobicContact CG1-CZ 4.48Å; A136-F150 HydrophobicContact CB-CD1 4.27Å; A136-F150 HydrophobicContact CB-CD2 3.54Å; A136-F150 HydrophobicContact CB-CE1 4.39Å; A136-F150 HydrophobicContact CB-CE2 3.67Å; A136-F150 HydrophobicContact CB-CG 3.88Å; A136-F150 HydrophobicContact CB-CZ 4.12Å; L142-F150 HydrophobicContact CD1-CE2 4.31Å; L142-F150 HydrophobicContact CD1-CZ 3.72Å; L142-F150 HydrophobicContact CD2-CE1 3.67Å; L142-F150 HydrophobicContact CD2-CZ 3.53Å; L142-F150 HydrophobicContact CG-CZ 4.3Å; M147-F150 HydrophobicContact CB-CE1 4.23Å
151P96.2Very high94.3Very high24 Ų2447.4 Ų47.416%0.15629%0.286CS..SBendcis-73.4145.3-6.432.7-36.2000111.8V108 E109 V115 P170 F175V108-P151 VanDerWaalsContact O-CA 3.26Å; V108-P151 WeakPolarHBondContact O-CA 3.31Å; E109-P151 HydrophobicContact CB-CB 3.8Å; V115-P151 HydrophobicContact CB-CB 4.5Å; V115-P151 HydrophobicContact CB-CG 4.41Å; V115-P151 HydrophobicContact CG1-CG 4.48Å; V115-P151 HydrophobicContact CG2-CG 4.25Å; P151-P170 HydrophobicContact CG-CB 4.11Å; P151-P170 WeakPolarHBondContact O-CB 3.28Å; P151-F175 HydrophobicContact CB-CE2 4.19Å; P151-F175 HydrophobicContact CG-CE2 4.36Å; P151-F175 WeakPolarHBondContact O-CZ 3.25Å
152S95.9Very high94.3Very high35 Ų3551 Ų5125%0.24530%0.303CS..EExtended strand (participates in β ladder)trans-142161179.1-74.10000111.4I107 V108 A149I107-S152 WeakPolarHBondContact CA-O 3.5Å; V108-S152 PolarHBondContact N-O 3.15Å; V108-S152 PolarHBondContact O-N 3.05Å; A149-S152 VanDerWaalsContact O-CB 3.27Å; A149-S152 WeakPolarHBondContact O-CB 3.47Å; A149-S152 PolarHBondContact O-OG 2.93Å
153V96.9Very high94.3Very high4 Ų452 Ų522%0.02431%0.314CS..EExtended strand (participates in β ladder)trans-115.5133.5-178.7-171.40000110.8A105 I106 I107 L165 F175A105-V153 HydrophobicContact CB-CG1 4.12Å; I106-V153 WeakPolarHBondContact O-CA 3.48Å; I107-V153 HydrophobicContact CG1-CG1 4.46Å; I107-V153 HydrophobicContact CG1-CG2 4.15Å; V153-L165 HydrophobicContact CB-CB 4.17Å; V153-L165 HydrophobicContact CB-CD2 4.4Å; V153-L165 HydrophobicContact CG1-CB 4.22Å; V153-L165 HydrophobicContact CG1-CD2 4.04Å; V153-L165 PolarHBondContact O-N 3.28Å; V153-F175 HydrophobicContact CG2-CB 4.12Å; V153-F175 HydrophobicContact CG2-CD1 3.56Å; V153-F175 HydrophobicContact CG2-CD2 3.61Å; V153-F175 HydrophobicContact CG2-CE1 3.76Å; V153-F175 HydrophobicContact CG2-CE2 3.81Å; V153-F175 HydrophobicContact CG2-CG 3.49Å; V153-F175 VanDerWaalsContact CG2-CG 3.49Å; V153-F175 HydrophobicContact CG2-CZ 3.88Å
154Y97.3Very high94.3Very high17 Ų1749.9 Ų49.97%0.06731%0.308CS..EExtended strand (participates in β ladder)trans-114.1131.8169.5-158.9-86.2000109.1L96 I106 L145 M147 L156 H162 P164L96-Y154 HydrophobicContact CD2-CE1 3.94Å; I106-Y154 PolarHBondContact N-O 2.77Å; I106-Y154 PolarHBondContact O-N 2.81Å; L145-Y154 HydrophobicContact CB-CD2 4.06Å; L145-Y154 HydrophobicContact CB-CE2 4.05Å; L145-Y154 HydrophobicContact CD1-CD2 4.35Å; L145-Y154 HydrophobicContact CD1-CG 4.16Å; L145-Y154 HydrophobicContact CD2-CD1 3.83Å; L145-Y154 HydrophobicContact CD2-CD2 4.11Å; L145-Y154 HydrophobicContact CD2-CE1 3.66Å; L145-Y154 HydrophobicContact CD2-CE2 3.96Å; L145-Y154 HydrophobicContact CD2-CG 4.04Å; L145-Y154 HydrophobicContact CG-CD2 4.4Å; M147-Y154 HydrophobicContact CG-CD2 4.43Å; M147-Y154 HydrophobicContact SD-CD2 3.83Å; M147-Y154 HydrophobicContact SD-CG 4.33Å; Y154-L156 HydrophobicContact CD1-CD2 4Å; Y154-L156 HydrophobicContact CE1-CD2 4.06Å; Y154-H162 HydrophobicContact CE1-CB 3.89Å; Y154-H162 AromaticContact CE1-ND1 3.71Å; Y154-H162 AromaticContact CZ-ND1 3.77Å; Y154-H162 PolarHBondContact OH-ND1 3.21Å; Y154-P164 HydrophobicContact CD2-CB 4.11Å; Y154-P164 HydrophobicContact CE2-CB 4.35Å
155L97.6Very high94.2Very high4 Ų447.9 Ų47.92%0.02129%0.294CS..EExtended strand (participates in β ladder)trans-113.9125.9-171.5-17166.8000111.1Y103 A105 H162 A163 L165 L179 L182Y103-L155 HydrophobicContact CD1-CD1 4.15Å; Y103-L155 HydrophobicContact CD1-CD2 4.08Å; Y103-L155 HydrophobicContact CD1-CG 4.19Å; Y103-L155 HydrophobicContact CE1-CD2 4.48Å; A105-L155 HydrophobicContact CB-CD1 4.15Å; L155-H162 VanDerWaalsContact O-CA 3.25Å; L155-H162 WeakPolarHBondContact O-CA 3.34Å; L155-A163 PolarHBondContact N-O 3.26Å; L155-A163 PolarHBondContact O-N 2.82Å; L155-L165 HydrophobicContact CB-CB 4.23Å; L155-L165 HydrophobicContact CD2-CD1 4.38Å; L155-L179 HydrophobicContact CD1-CD2 4.08Å; L155-L182 HydrophobicContact CD1-CD1 3.96Å; L155-L182 HydrophobicContact CD2-CD1 3.98Å; L155-L182 HydrophobicContact CD2-CD2 3.92Å
156L97.5Very high94Very high10 Ų1054.5 Ų54.55%0.05232%0.324CS..EExtended strand (participates in β ladder)trans-97126.5167.4-44.2-172.5000108.1L95 L96 Y103 T104 I106 Y154 H162L95-L156 HydrophobicContact CB-CD1 3.62Å; L96-L156 HydrophobicContact CD2-CD2 3.66Å; Y103-L156 WeakPolarHBondContact CA-O 3.1Å; T104-L156 HydrophobicContact CG2-CD1 4.48Å; T104-L156 PolarHBondContact N-O 3.44Å; T104-L156 PolarHBondContact O-N 3.31Å; I106-L156 HydrophobicContact CD1-CD1 4.26Å; I106-L156 HydrophobicContact CD1-CD2 4.48Å; I106-L156 HydrophobicContact CD1-CG 4.39Å; Y154-L156 HydrophobicContact CD1-CD2 4Å; Y154-L156 HydrophobicContact CE1-CD2 4.06Å; L156-H162 HydrophobicContact CD2-CB 3.53Å
157H96.7Very high93.8Very high56 Ų5648.5 Ų48.526%0.25929%0.294SS..  trans-92.8149.7-179.9-68.3-117.5000111.2Y103 N159 G160 S161Y103-H157 HydrophobicContact CD1-CB 4.5Å; Y103-H157 HydrophobicContact CE1-CB 4.38Å; Y103-H157 AromaticContact CE1-ND1 3.59Å; H157-N159 WeakPolarHBondContact CB-OD1 3.39Å; H157-N159 PolarHBondContact O-N 3.05Å; H157-G160 PolarHBondContact O-N 2.92Å; H157-S161 WeakPolarHBondContact CB-O 3.19Å; H157-S161 PolarHBondContact N-O 3.43Å
158P94.6Very high93.4Very high38 Ų3854.7 Ų54.725%0.24732%0.323CS..THydrogen-bonded Turntrans-49.4-32.6176.1-30.634.5000115R99 S100 Y103 G160R99-P158 WeakPolarHBondContact CA-O 3.46Å; S100-P158 PolarHBondContact N-O 2.97Å; S100-P158 CarbonylContact O-C 3.58Å; S100-P158 WeakPolarHBondContact O-CA 3.5Å; S100-P158 VanDerWaalsContact O-CB 3.3Å; S100-P158 WeakPolarHBondContact O-CB 3.4Å; S100-P158 VanDerWaalsContact O-O 3.1Å; Y103-P158 HydrophobicContact CD1-CG 4.5Å; Y103-P158 HydrophobicContact CD2-CG 4.26Å; Y103-P158 HydrophobicContact CE2-CG 4.24Å; Y103-P158 HydrophobicContact CG-CG 4.37Å; P158-G160 VanDerWaalsContact C-N 3.25Å; P158-G160 PolarHBondContact O-N 3.37Å
159N93.6Very high93.2Very high99 Ų9955.2 Ų55.253%0.52931%0.306SS..THydrogen-bonded Turntrans-75.5-5.4-179.568.3-1.1000114.7H157 S161H157-N159 WeakPolarHBondContact CB-OD1 3.39Å; H157-N159 PolarHBondContact O-N 3.05Å; N159-S161 PolarHBondContact ND2-OG 3.01Å; N159-S161 WeakPolarHBondContact OD1-CB 3.34Å; N159-S161 PolarHBondContact OD1-N 2.77Å; N159-S161 PolarHBondContact OD1-OG 3.06Å
160G92.2Very high93.1Very high12 Ų1255.7 Ų55.712%0.12430%0.304CS..SBendtrans93.6-9.4-176.300000114.9G97 H157 P158G97-G160 WeakPolarHBondContact CA-O 3.07Å; H157-G160 PolarHBondContact O-N 2.92Å; P158-G160 VanDerWaalsContact C-N 3.25Å; P158-G160 PolarHBondContact O-N 3.37Å
161S94.6Very high92.9Very high56 Ų5657.3 Ų57.339%0.39232%0.315SS..  trans-72.3153.4171.8680000111.3H157 N159H157-S161 WeakPolarHBondContact CB-O 3.19Å; H157-S161 PolarHBondContact N-O 3.43Å; N159-S161 PolarHBondContact ND2-OG 3.01Å; N159-S161 WeakPolarHBondContact OD1-CB 3.34Å; N159-S161 PolarHBondContact OD1-N 2.77Å; N159-S161 PolarHBondContact OD1-OG 3.06Å
162H95.6Very high92.8Very high77 Ų7758.4 Ų58.436%0.35632%0.316SS..EExtended strand (participates in β ladder)trans-150.2146.6-178.257.884.7000111.9L96 Y154 L155 L156L96-H162 HydrophobicContact CD2-CB 4.28Å; Y154-H162 HydrophobicContact CE1-CB 3.89Å; Y154-H162 AromaticContact CE1-ND1 3.71Å; Y154-H162 AromaticContact CZ-ND1 3.77Å; Y154-H162 PolarHBondContact OH-ND1 3.21Å; L155-H162 VanDerWaalsContact O-CA 3.25Å; L155-H162 WeakPolarHBondContact O-CA 3.34Å; L156-H162 HydrophobicContact CD2-CB 3.53Å
163A94.9Very high92.6Very high41 Ų4164 Ų6434%0.33934%0.336SS..EExtended strand (participates in β ladder)trans-158.9156.3-176.200000111.9L155 L165L155-A163 PolarHBondContact N-O 3.26Å; L155-A163 PolarHBondContact O-N 2.82Å; A163-L165 PolarHBondContact O-N 3.35Å
164P93.8Very high92.4Very high90 Ų9066.7 Ų66.758%0.58435%0.347SS*.EExtended strand (participates in β ladder)trans-62.5131.4164.728.1-33.9000109.9Y154 H166Y154-P164 HydrophobicContact CD2-CB 4.11Å; Y154-P164 HydrophobicContact CE2-CB 4.35Å; P164-H166 PolarHBondContact O-N 3.04Å
165L92.3Very high92.3Very high40 Ų4066 Ų6621%0.20935%0.345CS..EExtended strand (participates in β ladder)trans-87111.1177.7-179.764000109.2V153 L155 A163 S167 L178 L179V153-L165 HydrophobicContact CB-CB 4.17Å; V153-L165 HydrophobicContact CB-CD2 4.4Å; V153-L165 HydrophobicContact CG1-CB 4.22Å; V153-L165 HydrophobicContact CG1-CD2 4.04Å; V153-L165 PolarHBondContact O-N 3.28Å; L155-L165 HydrophobicContact CB-CB 4.23Å; L155-L165 HydrophobicContact CD2-CD1 4.38Å; A163-L165 PolarHBondContact O-N 3.35Å; L165-S167 PolarHBondContact O-N 3.31Å; L165-L178 HydrophobicContact CD2-CB 4.27Å; L165-L179 HydrophobicContact CD2-CD2 3.9Å
166H89.9Confident92.2Very high147 Ų14766.1 Ų66.168%0.68135%0.346SS*.  trans-64.4134.9177.3-173.970.7000111.2P164 E168P164-H166 PolarHBondContact O-N 3.04Å; H166-E168 IonicContact NE2-OE1 3.44Å
167S87.8Confident92Very high25 Ų2568.3 Ų68.318%0.17536%0.362CS..  trans-139.8126.3175.7-178.90000109.3L165 K169 F174L165-S167 PolarHBondContact O-N 3.31Å; S167-K169 PolarHBondContact O-N 3.24Å; S167-K169 VanDerWaalsContact O-N 3.08Å; S167-K169 PolarHBondContact OG-O 3.44Å; S167-F174 WeakPolarHBondContact OG-CB 3.33Å
168E81.2Confident91.8Very high150 Ų15068.2 Ų68.270%0.70136%0.363SS*.SBendtrans-51.7-31.8177.7-64.6-64.7153.800113.3H166 F174H166-E168 IonicContact NE2-OE1 3.44Å; E168-F174 HydrophobicContact CB-CD1 4.16Å; E168-F174 HydrophobicContact CB-CE1 3.92Å
169K84.1Confident91.9Very high113 Ų11366.4 Ų66.449%0.49135%0.351SS..SBendtrans-140.1140.4177.1-59.7-172.8-177.8179.80111S167 L171 F174S167-K169 PolarHBondContact O-N 3.24Å; S167-K169 VanDerWaalsContact O-N 3.08Å; S167-K169 PolarHBondContact OG-O 3.44Å; K169-L171 HydrophobicContact CB-CB 4.49Å; K169-L171 HydrophobicContact CB-CD1 3.93Å; K169-L171 HydrophobicContact CB-CG 4.06Å; K169-L171 HydrophobicContact CD-CD1 4.16Å; K169-L171 PolarHBondContact O-N 2.97Å; K169-F174 HydrophobicContact CB-CD1 4.43Å; K169-F174 HydrophobicContact CB-CD2 3.95Å; K169-F174 HydrophobicContact CB-CE1 4.42Å; K169-F174 HydrophobicContact CB-CE2 3.94Å; K169-F174 HydrophobicContact CB-CG 4.22Å; K169-F174 HydrophobicContact CB-CZ 4.19Å; K169-F174 HydrophobicContact CD-CE2 3.9Å; K169-F174 HydrophobicContact CD-CZ 3.83Å; K169-F174 HydrophobicContact CG-CE1 4.36Å; K169-F174 HydrophobicContact CG-CE2 4.18Å; K169-F174 HydrophobicContact CG-CZ 4.03Å
170P88.8Confident91.9Very high73 Ų7365.4 Ų65.447%0.47434%0.34SS..SBendtrans-80.962.2177.634.4-36.4000110.9P151 F175P151-P170 HydrophobicContact CG-CB 4.11Å; P151-P170 WeakPolarHBondContact O-CB 3.28Å; P170-F175 HydrophobicContact CB-CZ 4.31Å
171L90.1Very high91.9Very high92 Ų9268.9 Ų68.948%0.48236%0.363SS..SBendtrans-131.3140.2-172.4-64.3175.2000110.8K169 F173 F174 F175K169-L171 HydrophobicContact CB-CB 4.49Å; K169-L171 HydrophobicContact CB-CD1 3.93Å; K169-L171 HydrophobicContact CB-CG 4.06Å; K169-L171 HydrophobicContact CD-CD1 4.16Å; K169-L171 PolarHBondContact O-N 2.97Å; L171-F173 VanDerWaalsContact C-N 3.26Å; L171-F173 PolarHBondContact O-N 3.39Å; L171-F173 VanDerWaalsContact O-N 3.07Å; L171-F174 HydrophobicContact CB-CD2 4.1Å; L171-F174 HydrophobicContact CD1-CD2 4.48Å; L171-F174 HydrophobicContact CD1-CE2 4.42Å; L171-F174 PolarHBondContact O-N 3.1Å; L171-F175 PolarHBondContact O-N 3.09Å
172R93.7Very high91.8Very high47 Ų4767.3 Ų67.318%0.17735%0.35CS..Hα-helixtrans-38.8-51.4176.4175.7-160.7170.6-169.66.9113.6R62 V115 E118 V119 D122 F174 F175 S176R62-R172 VanDerWaalsContact NH1-NH1 3.11Å; V115-R172 HydrophobicContact CG1-CB 4.29Å; E118-R172 HydrophobicContact CB-CG 4.07Å; E118-R172 WeakPolarHBondContact OE2-CD 3.45Å; V119-R172 HydrophobicContact CG2-CB 4.27Å; V119-R172 HydrophobicContact CG2-CG 3.87Å; D122-R172 IonicContact OD1-CZ 3.35Å; D122-R172 IonicContact OD1-NE 2.73Å; D122-R172 IonicContact OD1-NH2 3.15Å; D122-R172 PolarHBondContact OD1-NH2 3.43Å; D122-R172 IonicContact OD2-CZ 3.49Å; D122-R172 IonicContact OD2-NE 3.45Å; D122-R172 PolarHBondContact OD2-NE 3.2Å; D122-R172 IonicContact OD2-NH2 2.72Å; D122-R172 PolarHBondContact OD2-NH2 2.94Å; R172-F174 VanDerWaalsContact C-N 3.31Å; R172-F174 PolarHBondContact O-N 2.92Å; R172-F175 PolarHBondContact O-N 3.38Å; R172-S176 WeakPolarHBondContact O-CB 3.39Å; R172-S176 PolarHBondContact O-N 3.24Å; R172-S176 PolarHBondContact O-OG 3.26Å
173F91.2Very high91.6Very high153 Ų15368.4 Ų68.467%0.67136%0.364SS*.Hα-helixtrans-57.4-43.7-177.2174.6-95.3000112.6L171 S177L171-F173 VanDerWaalsContact C-N 3.26Å; L171-F173 PolarHBondContact O-N 3.39Å; L171-F173 VanDerWaalsContact O-N 3.07Å; F173-S177 WeakPolarHBondContact O-CB 3Å; F173-S177 PolarHBondContact O-N 3.49Å
174F92.6Very high91.3Very high60 Ų6069.1 Ų69.126%0.26338%0.375SS..Hα-helixtrans-67.3-45.6-179.9-74.8-104.3000110.5S167 E168 K169 L171 R172 S177 L178S167-F174 WeakPolarHBondContact OG-CB 3.33Å; E168-F174 HydrophobicContact CB-CD1 4.16Å; E168-F174 HydrophobicContact CB-CE1 3.92Å; K169-F174 HydrophobicContact CB-CD1 4.43Å; K169-F174 HydrophobicContact CB-CD2 3.95Å; K169-F174 HydrophobicContact CB-CE1 4.42Å; K169-F174 HydrophobicContact CB-CE2 3.94Å; K169-F174 HydrophobicContact CB-CG 4.22Å; K169-F174 HydrophobicContact CB-CZ 4.19Å; K169-F174 HydrophobicContact CD-CE2 3.9Å; K169-F174 HydrophobicContact CD-CZ 3.83Å; K169-F174 HydrophobicContact CG-CE1 4.36Å; K169-F174 HydrophobicContact CG-CE2 4.18Å; K169-F174 HydrophobicContact CG-CZ 4.03Å; L171-F174 HydrophobicContact CB-CD2 4.1Å; L171-F174 HydrophobicContact CD1-CD2 4.48Å; L171-F174 HydrophobicContact CD1-CE2 4.42Å; L171-F174 PolarHBondContact O-N 3.1Å; R172-F174 VanDerWaalsContact C-N 3.31Å; R172-F174 PolarHBondContact O-N 2.92Å; F174-S177 PolarHBondContact O-N 3.08Å; F174-L178 WeakPolarHBondContact O-CB 3.4Å; F174-L178 VanDerWaalsContact O-CG 3.24Å; F174-L178 WeakPolarHBondContact O-CG 3.46Å; F174-L178 PolarHBondContact O-N 2.86Å
175F96.3Very high91.3Very high4 Ų465.5 Ų65.52%0.01835%0.351CS..Hα-helixtrans-61.5-50.4177.3-60.4-11.8000111.7I107 V115 V119 P151 V153 P170 L171 R172 S177 L178 L179I107-F175 HydrophobicContact CD1-CD2 4.49Å; I107-F175 HydrophobicContact CG2-CD2 4.44Å; I107-F175 HydrophobicContact CG2-CE2 4.32Å; V115-F175 HydrophobicContact CG1-CD2 3.55Å; V115-F175 HydrophobicContact CG1-CE2 3.64Å; V119-F175 HydrophobicContact CG1-CB 4.3Å; V119-F175 HydrophobicContact CG2-CB 3.85Å; V119-F175 HydrophobicContact CG2-CD2 4.36Å; P151-F175 HydrophobicContact CB-CE2 4.19Å; P151-F175 HydrophobicContact CG-CE2 4.36Å; P151-F175 WeakPolarHBondContact O-CZ 3.25Å; V153-F175 HydrophobicContact CG2-CB 4.12Å; V153-F175 HydrophobicContact CG2-CD1 3.56Å; V153-F175 HydrophobicContact CG2-CD2 3.61Å; V153-F175 HydrophobicContact CG2-CE1 3.76Å; V153-F175 HydrophobicContact CG2-CE2 3.81Å; V153-F175 HydrophobicContact CG2-CG 3.49Å; V153-F175 VanDerWaalsContact CG2-CG 3.49Å; V153-F175 HydrophobicContact CG2-CZ 3.88Å; P170-F175 HydrophobicContact CB-CZ 4.31Å; L171-F175 PolarHBondContact O-N 3.09Å; R172-F175 PolarHBondContact O-N 3.38Å; F175-S177 VanDerWaalsContact C-N 3.32Å; F175-S177 PolarHBondContact O-N 2.74Å; F175-L178 PolarHBondContact O-N 2.8Å; F175-L179 WeakPolarHBondContact O-CB 3.31Å; F175-L179 VanDerWaalsContact O-CG 3.27Å; F175-L179 WeakPolarHBondContact O-CG 3.49Å; F175-L179 PolarHBondContact O-N 3.08Å
176S94.3Very high91.2Very high5 Ų569.9 Ų69.94%0.03537%0.371CS..Hα-helixtrans-59.7-41.5177-60.50000111.7D122 R172 R180D122-S176 WeakPolarHBondContact CB-OG 3.39Å; D122-S176 PolarHBondContact OD2-OG 2.85Å; R172-S176 WeakPolarHBondContact O-CB 3.39Å; R172-S176 PolarHBondContact O-N 3.24Å; R172-S176 PolarHBondContact O-OG 3.26Å; S176-R180 WeakPolarHBondContact O-CB 3.38Å; S176-R180 VanDerWaalsContact O-CD 3.31Å; S176-R180 WeakPolarHBondContact O-CD 3.29Å; S176-R180 WeakPolarHBondContact O-CG 3.36Å; S176-R180 PolarHBondContact O-N 3.14Å; S176-R180 VanDerWaalsContact O-N 3.1Å
177S93.3Very high91.2Very high57 Ų5767.9 Ų67.940%0.39936%0.357SS..Hα-helixtrans-67.9-43.9179-168.70000112.7F173 F174 F175 R180 S181F173-S177 WeakPolarHBondContact O-CB 3Å; F173-S177 PolarHBondContact O-N 3.49Å; F174-S177 PolarHBondContact O-N 3.08Å; F175-S177 VanDerWaalsContact C-N 3.32Å; F175-S177 PolarHBondContact O-N 2.74Å; S177-R180 PolarHBondContact O-N 3.44Å; S177-S181 PolarHBondContact O-N 3.5Å; S177-S181 PolarHBondContact O-OG 3.14Å
178L93.6Very high91.1Very high53 Ų5372.8 Ų72.828%0.27737%0.372SS..Hα-helixtrans-62.4-49.1178.3-74.1166.7000110.7L165 F174 F175 R180 S181 L182L165-L178 HydrophobicContact CD2-CB 4.27Å; F174-L178 WeakPolarHBondContact O-CB 3.4Å; F174-L178 VanDerWaalsContact O-CG 3.24Å; F174-L178 WeakPolarHBondContact O-CG 3.46Å; F174-L178 PolarHBondContact O-N 2.86Å; F175-L178 PolarHBondContact O-N 2.8Å; L178-R180 VanDerWaalsContact C-N 3.34Å; L178-R180 PolarHBondContact O-N 2.97Å; L178-S181 PolarHBondContact O-N 3.13Å; L178-S181 PolarHBondContact O-OG 2.71Å; L178-L182 PolarHBondContact O-N 3.29Å
179L96.3Very high90Very high0 Ų070.7 Ų70.70%037%0.374CS..Hα-helixtrans-63.7-37.5-179.7-65177.3000112.6A105 V119 L123 V131 L155 L165 F175 S181 L182A105-L179 HydrophobicContact CB-CD1 3.68Å; A105-L179 HydrophobicContact CB-CD2 3.57Å; A105-L179 HydrophobicContact CB-CG 4.29Å; V119-L179 HydrophobicContact CG1-CD1 3.88Å; L123-L179 HydrophobicContact CD1-CB 4.36Å; L123-L179 HydrophobicContact CD2-CB 4.41Å; L123-L179 HydrophobicContact CG-CB 4.35Å; V131-L179 HydrophobicContact CG2-CD1 3.95Å; L155-L179 HydrophobicContact CD1-CD2 4.08Å; L165-L179 HydrophobicContact CD2-CD2 3.9Å; F175-L179 WeakPolarHBondContact O-CB 3.31Å; F175-L179 VanDerWaalsContact O-CG 3.27Å; F175-L179 WeakPolarHBondContact O-CG 3.49Å; F175-L179 PolarHBondContact O-N 3.08Å; L179-S181 PolarHBondContact O-N 2.7Å; L179-L182 HydrophobicContact CD2-CD1 3.87Å; L179-L182 PolarHBondContact O-N 2.89Å
180R93.9Very high88.5Confident79 Ų7968.5 Ų68.530%0.29837%0.373SS..Hα-helixtrans-66.3-21.9173.4-72.6169.8-177.2-160.7-2.5113.8D3 D122 L123 F126 S176 S177 L178D3-R180 VanDerWaalsContact CG-NH2 3.31Å; D3-R180 IonicContact OD2-CZ 3.68Å; D3-R180 IonicContact OD2-NH1 3.03Å; D3-R180 PolarHBondContact OD2-NH1 3Å; D3-R180 IonicContact OD2-NH2 3.28Å; D3-R180 PolarHBondContact OD2-NH2 3.41Å; D122-R180 PolarHBondContact O-NH2 3.43Å; L123-R180 HydrophobicContact CD1-CG 3.67Å; L123-R180 HydrophobicContact CD2-CG 4.39Å; F126-R180 HydrophobicContact CD1-CG 4.2Å; F126-R180 HydrophobicContact CE1-CB 4.32Å; F126-R180 HydrophobicContact CE1-CG 3.77Å; F126-R180 HydrophobicContact CE2-CG 4.15Å; F126-R180 HydrophobicContact CZ-CG 3.76Å; S176-R180 WeakPolarHBondContact O-CB 3.38Å; S176-R180 VanDerWaalsContact O-CD 3.31Å; S176-R180 WeakPolarHBondContact O-CD 3.29Å; S176-R180 WeakPolarHBondContact O-CG 3.36Å; S176-R180 PolarHBondContact O-N 3.14Å; S176-R180 VanDerWaalsContact O-N 3.1Å; S177-R180 PolarHBondContact O-N 3.44Å; L178-R180 VanDerWaalsContact C-N 3.34Å; L178-R180 PolarHBondContact O-N 2.97Å
181S92Very high86.4Confident85 Ų8569.4 Ų69.459%0.59438%0.381SS*.THydrogen-bonded Turntrans-91.1-3.3-179.272.40000114.4S177 L178 L179S177-S181 PolarHBondContact O-N 3.5Å; S177-S181 PolarHBondContact O-OG 3.14Å; L178-S181 PolarHBondContact O-N 3.13Å; L178-S181 PolarHBondContact O-OG 2.71Å; L179-S181 PolarHBondContact O-N 2.7Å
182L93.2Very high84.2Confident22 Ų2273.9 Ų73.912%0.11540%0.399CS..SBendtrans-65.9140-178.6-69.1173.6000111.7Y103 L155 L178 L179 G184 V185Y103-L182 HydrophobicContact CD1-CD1 3.98Å; Y103-L182 HydrophobicContact CD2-CB 4.23Å; Y103-L182 HydrophobicContact CD2-CD1 4.14Å; Y103-L182 HydrophobicContact CE1-CD1 4.38Å; Y103-L182 HydrophobicContact CE1-CD2 4.48Å; Y103-L182 HydrophobicContact CE2-CB 3.99Å; Y103-L182 HydrophobicContact CG-CD1 3.86Å; L155-L182 HydrophobicContact CD1-CD1 3.96Å; L155-L182 HydrophobicContact CD2-CD1 3.98Å; L155-L182 HydrophobicContact CD2-CD2 3.92Å; L178-L182 PolarHBondContact O-N 3.29Å; L179-L182 HydrophobicContact CD2-CD1 3.87Å; L179-L182 PolarHBondContact O-N 2.89Å; L182-G184 PolarHBondContact O-N 3.28Å; L182-V185 HydrophobicContact CB-CB 4.35Å; L182-V185 HydrophobicContact CB-CG2 3.73Å; L182-V185 WeakPolarHBondContact O-CB 3.33Å; L182-V185 PolarHBondContact O-N 3.07Å
183P91.5Very high81.9Confident101 Ų10175.1 Ų75.166%0.65641%0.412SS*.THydrogen-bonded Turntrans-57.7121-179.1-25.634.4000112.9Y103Y103-P183 WeakPolarHBondContact CE2-O 3.26Å; Y103-P183 PolarHBondContact OH-O 3.22Å
184G88.1Confident79.3Confident56 Ų5671.8 Ų71.858%0.57741%0.412SS*.THydrogen-bonded Turntrans89.4-7.7-178.500000114.8L182 Q186L182-G184 PolarHBondContact O-N 3.28Å; G184-Q186 PolarHBondContact O-N 3.38Å
185V92.8Very high76.7Confident14 Ų1477.6 Ų77.69%0.08544%0.44CS..  trans-73.1124.4165.4174.90000108.7Y103 F126 S127 V129 L182Y103-V185 HydrophobicContact CD2-CG2 4.03Å; Y103-V185 HydrophobicContact CE2-CG2 4.4Å; F126-V185 HydrophobicContact CB-CG1 4.19Å; F126-V185 HydrophobicContact CD1-CG1 4.01Å; F126-V185 HydrophobicContact CG-CG1 4.5Å; S127-V185 WeakPolarHBondContact O-CA 3.22Å; V129-V185 HydrophobicContact CB-CG2 3.75Å; V129-V185 HydrophobicContact CG1-CB 4.47Å; V129-V185 HydrophobicContact CG1-CG1 3.71Å; V129-V185 HydrophobicContact CG1-CG2 3.86Å; L182-V185 HydrophobicContact CB-CB 4.35Å; L182-V185 HydrophobicContact CB-CG2 3.73Å; L182-V185 WeakPolarHBondContact O-CB 3.33Å; L182-V185 PolarHBondContact O-N 3.07Å
186Q91.6Very high73.9Confident132 Ų13283 Ų8362%0.61747%0.474SS*.EExtended strand (participates in β ladder)trans-135.1148.1-178.7-63.9-170.99.900110.6F126 S127 G184 R188F126-Q186 CarbonylContact C-O 3.54Å; F126-Q186 VanDerWaalsContact CA-O 3.27Å; F126-Q186 WeakPolarHBondContact CA-O 3.48Å; S127-Q186 PolarHBondContact N-O 3.21Å; S127-Q186 PolarHBondContact O-N 3.1Å; S127-Q186 PolarHBondContact OG-O 3.33Å; G184-Q186 PolarHBondContact O-N 3.38Å; Q186-R188 PolarHBondContact O-N 3.23Å
187R89.6Confident71Confident104 Ų10485.3 Ų85.339%0.39250%0.498SS..EExtended strand (participates in β ladder)trans-70.7128169.3-157.2177.8-158.8-66.3-7.3107.5D3 F126 S189D3-R187 IonicContact OD1-CZ 3.71Å; D3-R187 IonicContact OD1-NE 3.88Å; D3-R187 IonicContact OD1-NH2 3.97Å; D3-R187 PolarHBondContact OD1-NH2 3.36Å; F126-R187 HydrophobicContact CD1-CB 4.16Å; F126-R187 HydrophobicContact CE1-CB 3.83Å; F126-R187 HydrophobicContact CE1-CG 4.11Å; F126-R187 HydrophobicContact CE2-CG 4.38Å; F126-R187 HydrophobicContact CZ-CB 4.25Å; F126-R187 HydrophobicContact CZ-CG 4.02Å; R187-S189 PolarHBondContact O-N 3.06Å
188R84.4Confident68Low128 Ų12887.2 Ų87.248%0.48352%0.518SS..  trans-57.6134.8175.4-63175.9-166.1-1753.5108.4Q125 F126 Q186 S190Q125-R188 WeakPolarHBondContact O-CG 3.3Å; Q125-R188 PolarHBondContact O-N 3.06Å; F126-R188 PolarHBondContact O-NE 3.06Å; F126-R188 VanDerWaalsContact O-NE 3.15Å; F126-R188 PolarHBondContact O-NH2 2.91Å; F126-R188 VanDerWaalsContact O-NH2 3.15Å; Q186-R188 PolarHBondContact O-N 3.23Å; R188-S190 PolarHBondContact O-N 3.47Å
189S58.2Low65.2Low107 Ų10792.6 Ų92.675%0.74855%0.545SS*.  trans-57112.5173.4178.40000108.5R187 S191R187-S189 PolarHBondContact O-N 3.06Å; S189-S191 PolarHBondContact O-N 2.86Å
190S53.6Low62.3Low66 Ų66101 Ų10146%0.46259%0.585SS.*  trans-77.866.5178.658.30000110R188 E192R188-S190 PolarHBondContact O-N 3.47Å; S190-E192 PolarHBondContact O-N 3.11Å
191S43.8Very low59.5Low92 Ų92104.6 Ų104.664%0.64361%0.61SS**THydrogen-bonded Turntrans-61.4124.8161.8-58.70000107.7S189S189-S191 PolarHBondContact O-N 2.86Å
192E44.7Very low56.8Low186 Ų186103.2 Ų103.287%0.86961%0.609SS**THydrogen-bonded Turntrans84.7-10.1168.6-50.9-168.315400121S190S190-E192 PolarHBondContact O-N 3.11Å
193V45.1Very low54.3Low74 Ų74104 Ų10445%0.44862%0.623SS.*THydrogen-bonded Turntrans-108.9-0.4178.8-166.50000114.8Q195V193-Q195 PolarHBondContact O-N 2.82Å
194A37.1Very low52Low82 Ų82105.2 Ų105.268%0.67863%0.629SS**THydrogen-bonded Turntrans-78.37.7169.400000114
195Q37.6Very low50.4Low183 Ų183107.3 Ų107.386%0.85563%0.634SS**THydrogen-bonded Turntrans-120.49.1-179.6-74.4-1597.600115.7V193 G197V193-Q195 PolarHBondContact O-N 2.82Å; Q195-G197 VanDerWaalsContact C-N 3.3Å; Q195-G197 PolarHBondContact O-N 3.37Å; Q195-G197 VanDerWaalsContact O-N 3.17Å
196T36.8Very low49Very low118 Ų118111.8 Ų111.872%0.72465%0.654SS**SBendtrans-76.996.414621.50000106.1
197G34.2Very low48.4Very low52 Ų52109.8 Ų109.854%0.53665%0.653SS.*  trans-52146.3-159.100000113.8Q195 L199Q195-G197 VanDerWaalsContact C-N 3.3Å; Q195-G197 PolarHBondContact O-N 3.37Å; Q195-G197 VanDerWaalsContact O-N 3.17Å; G197-L199 PolarHBondContact O-N 2.98Å
198A29.8Very low48.1Very low98 Ų98110.4 Ų110.481%0.8166%0.655SS**  -48.8106.4129.500000105.6Q200A198-Q200 PolarHBondContact O-N 2.97Å
199L35.9Very low48.2Very low165 Ų165106 Ų10686%0.86464%0.639SS**  trans-53.3103.7158.7-77164.2000103.7G197 D201G197-L199 PolarHBondContact O-N 2.98Å; L199-D201 PolarHBondContact O-N 2.92Å
200Q33.6Very low49.5Very low176 Ų176106.9 Ų106.982%0.82264%0.635SS**  trans-50140.2159.1-64-178.47.300104.9A198 G202A198-Q200 PolarHBondContact O-N 2.97Å; Q200-G202 PolarHBondContact O-N 2.86Å
201D36.7Very low51.2Low155 Ų155105.7 Ų105.783%0.82962%0.622SS**SBendtrans-7071.8173.2-161.612.3000107.6L199L199-D201 PolarHBondContact O-N 2.92Å
202G35.4Very low53.5Low56 Ų56105 Ų10558%0.57761%0.611SS**  trans-116.118-172.500000110.6Q200 T204Q200-G202 PolarHBondContact O-N 2.86Å; G202-T204 VanDerWaalsContact C-N 3.33Å; G202-T204 PolarHBondContact O-N 3.06Å
203G39.8Very low55.5Low40 Ų40103.4 Ų103.441%0.41260%0.597SS.*SBendtrans-56.1109.1145.600000106.1S205G203-S205 PolarHBondContact O-N 3.1Å
204T42.9Very low57.8Low126 Ų126101.9 Ų101.977%0.77359%0.589SS**  trans-53.5101.6175.941.50000107.9G202 E206G202-T204 VanDerWaalsContact C-N 3.33Å; G202-T204 PolarHBondContact O-N 3.06Å; T204-E206 PolarHBondContact O-N 3.26Å
205S54.4Low60.5Low99 Ų99101 Ų10169%0.69257%0.571SS**  trans-66.1107.4-178.454.60000107.4G203 P207G203-S205 PolarHBondContact O-N 3.1Å; S205-P207 VanDerWaalsContact O-N 3.11Å
206E64.2Low63.3Low108 Ų10892.7 Ų92.751%0.50553%0.533SS..  trans-45.3122.4175.3-87.5-68.9117.400108.5T204 W208 R209 Q314T204-E206 PolarHBondContact O-N 3.26Å; E206-W208 PolarHBondContact O-N 2.71Å; E206-R209 IonicContact OE2-CZ 3.53Å; E206-R209 IonicContact OE2-NH1 3.11Å; E206-R209 PolarHBondContact OE2-NH1 2.72Å; E206-R209 IonicContact OE2-NH2 3.8Å; E206-R209 PolarHBondContact OE2-NH2 2.75Å; E206-Q314 PolarHBondContact O-NE2 2.82Å
207P78.4Confident66.1Low91 Ų9187.5 Ų87.559%0.59150%0.5SS*.PPolyproline II helixtrans-56.9140.6-167.419.6-31.7000110.3S205 R209 Q314S205-P207 VanDerWaalsContact O-N 3.11Å; P207-R209 PolarHBondContact O-N 2.81Å; P207-Q314 PolarHBondContact O-NE2 3.03Å
208W82.9Confident68.9Low116 Ų11685.1 Ų85.144%0.43948%0.475SS..PPolyproline II helixtrans-58124.1-177.6-175.2-93.2000110.4E206 F211 Q314 V422E206-W208 PolarHBondContact O-N 2.71Å; W208-F211 HydrophobicContact CH2-CE1 4.35Å; W208-F211 AromaticContact CZ2-CE1 3.89Å; W208-F211 HydrophobicContact CZ2-CE1 3.89Å; W208-Q314 HydrophobicContact CE3-CG 4.23Å; W208-Q314 HydrophobicContact CZ3-CG 4.22Å; W208-V422 HydrophobicContact CH2-CG2 3.63Å; W208-V422 HydrophobicContact CZ2-CG2 4.36Å; W208-V422 HydrophobicContact CZ3-CG2 4.2Å
209R87.1Confident71.9Confident36 Ų3680.5 Ų80.514%0.13644%0.437CS..PPolyproline II helixtrans-95.5120.1178.8-61.9179.7175.284.310.4108.9E206 P207 F211 W310 V311E206-R209 IonicContact OE2-CZ 3.53Å; E206-R209 IonicContact OE2-NH1 3.11Å; E206-R209 PolarHBondContact OE2-NH1 2.72Å; E206-R209 IonicContact OE2-NH2 3.8Å; E206-R209 PolarHBondContact OE2-NH2 2.75Å; P207-R209 PolarHBondContact O-N 2.81Å; R209-F211 WeakPolarHBondContact O-CD1 3.32Å; R209-F211 PolarHBondContact O-N 3.25Å; R209-W310 PolarHBondContact NH1-O 3.15Å; R209-V311 HydrophobicContact CB-CG1 4.48Å
210D85.2Confident74.7Confident126 Ų12672.9 Ų72.967%0.67440%0.397SS*.PPolyproline II helixtrans-64.4129171-66.3-39000110.5
211F90.4Very high77.6Confident41 Ų4164.5 Ų64.518%0.1836%0.358CS..  trans-141.4148.1-177.273.8-94.6000112.1W208 R209 R213 Y217 V311W208-F211 HydrophobicContact CH2-CE1 4.35Å; W208-F211 AromaticContact CZ2-CE1 3.89Å; W208-F211 HydrophobicContact CZ2-CE1 3.89Å; R209-F211 WeakPolarHBondContact O-CD1 3.32Å; R209-F211 PolarHBondContact O-N 3.25Å; F211-R213 HydrophobicContact CD2-CG 4.36Å; F211-R213 HydrophobicContact CE2-CG 3.78Å; F211-R213 HydrophobicContact CZ-CG 4.48Å; F211-Y217 HydrophobicContact CB-CE2 3.75Å; F211-Y217 HydrophobicContact CD2-CE2 4.39Å; F211-V311 HydrophobicContact CB-CG1 3.84Å; F211-V311 WeakPolarHBondContact CD1-O 3.31Å
212D91.1Very high80.2Confident76 Ų7657.5 Ų57.541%0.40632%0.32SS..  trans-82.5121.3172.6-174.1-18.5000109.4S214 Q215 Y217D212-S214 PolarHBondContact O-N 3.23Å; D212-S214 VanDerWaalsContact OD1-CB 3.31Å; D212-S214 WeakPolarHBondContact OD1-CB 3.42Å; D212-S214 PolarHBondContact OD1-N 2.74Å; D212-S214 PolarHBondContact OD1-OG 3.5Å; D212-S214 PolarHBondContact OD2-OG 2.95Å; D212-S214 VanDerWaalsContact OD2-OG 3.1Å; D212-Q215 HydrophobicContact CB-CB 4.41Å; D212-Q215 HydrophobicContact CB-CG 4.16Å; D212-Q215 PolarHBondContact O-N 2.91Å; D212-Y217 PolarHBondContact N-OH 3.48Å
213R87.8Confident82.8Confident154 Ų15455 Ų5558%0.58129%0.294SS*.THydrogen-bonded Turntrans-69-12.4179.5-64.8-178.4176.3-154.4-6.7113.5F211 V422F211-R213 HydrophobicContact CD2-CG 4.36Å; F211-R213 HydrophobicContact CE2-CG 3.78Å; F211-R213 HydrophobicContact CZ-CG 4.48Å; R213-V422 PolarHBondContact NH2-O 2.75Å
214S92.1Very high85.3Confident42 Ų4253.2 Ų53.229%0.29428%0.275SS..THydrogen-bonded Turntrans-86-12.5175.7740000113.6D212 H459 N464D212-S214 PolarHBondContact O-N 3.23Å; D212-S214 VanDerWaalsContact OD1-CB 3.31Å; D212-S214 WeakPolarHBondContact OD1-CB 3.42Å; D212-S214 PolarHBondContact OD1-N 2.74Å; D212-S214 PolarHBondContact OD1-OG 3.5Å; D212-S214 PolarHBondContact OD2-OG 2.95Å; D212-S214 VanDerWaalsContact OD2-OG 3.1Å; S214-H459 PolarHBondContact O-CE1 2.05Å; S214-H459 VanDerWaalsContact O-CE1 3.23Å; S214-H459 PolarHBondContact O-ND1 3.27Å; S214-N464 PolarHBondContact O-ND2 3.4Å
215Q95.1Very high87.6Confident64 Ų6447.2 Ų47.230%0.29924%0.238SC..SBendtrans-107158.8-177.6-62.9-165.7-32.500112.7D212 Y217 N466D212-Q215 HydrophobicContact CB-CB 4.41Å; D212-Q215 HydrophobicContact CB-CG 4.16Å; D212-Q215 PolarHBondContact O-N 2.91Å; Q215-Y217 HydrophobicContact CB-CE2 4.22Å; Q215-N466 PolarHBondContact OE1-ND2 3.34Å
216V96.4Very high89.2Confident7 Ų742.6 Ų42.64%0.04221%0.206CC..EExtended strand (participates in β ladder)trans-115124.8174.7172.20000108.3L221 T329 V333 H459 Y460 N464 L465 N466V216-L221 HydrophobicContact CG1-CD1 4.49Å; V216-T329 HydrophobicContact CG1-CG2 3.59Å; V216-T329 HydrophobicContact CG2-CG2 4.43Å; V216-V333 HydrophobicContact CG1-CG2 4.29Å; V216-H459 WeakPolarHBondContact CG2-O 3.29Å; V216-Y460 HydrophobicContact CG2-CD1 3.87Å; V216-Y460 HydrophobicContact CG2-CE1 4.07Å; V216-N464 PolarHBondContact N-O 2.95Å; V216-L465 HydrophobicContact CB-CD2 3.84Å; V216-L465 HydrophobicContact CG1-CD2 3.58Å; V216-L465 CarbonylContact O-C 3.59Å; V216-L465 WeakPolarHBondContact O-CA 3.37Å; V216-N466 PolarHBondContact O-N 3.29Å
217Y95.2Very high90.2Very high9 Ų938.3 Ų38.34%0.03519%0.185CC..EExtended strand (participates in β ladder)trans-94.5132.3-174.6-66.3-94.7000111.2F211 D212 Q215 A219 D220 V311 N466 R468 Y469F211-Y217 HydrophobicContact CB-CE2 3.75Å; F211-Y217 HydrophobicContact CD2-CE2 4.39Å; D212-Y217 PolarHBondContact N-OH 3.48Å; Q215-Y217 HydrophobicContact CB-CE2 4.22Å; Y217-A219 PolarHBondContact O-N 3Å; Y217-D220 PolarHBondContact O-N 2.76Å; Y217-V311 HydrophobicContact CD1-CB 4.49Å; Y217-V311 HydrophobicContact CD1-CG1 3.85Å; Y217-V311 HydrophobicContact CD2-CB 4.45Å; Y217-V311 HydrophobicContact CD2-CG1 3.98Å; Y217-V311 HydrophobicContact CE1-CG1 4.12Å; Y217-V311 HydrophobicContact CE2-CG1 4.27Å; Y217-V311 HydrophobicContact CG-CB 4.11Å; Y217-V311 HydrophobicContact CG-CG1 3.79Å; Y217-N466 WeakPolarHBondContact CA-O 3.38Å; Y217-N466 HydrophobicContact CD1-CB 3.87Å; Y217-N466 HydrophobicContact CE1-CB 3.92Å; Y217-N466 WeakPolarHBondContact CE1-ND2 3.38Å; Y217-N466 HydrophobicContact CG-CB 4.48Å; Y217-R468 HydrophobicContact CE1-CB 4.48Å; Y217-Y469 HydrophobicContact CD1-CD2 4.43Å
218T93Very high90.7Very high2 Ų234 Ų341%0.01216%0.157CC..Hα-helixtrans-66.6-26.2178.874.40000111.8D220 L221 E222 V260 L465 N466 S470T218-D220 VanDerWaalsContact C-N 3.29Å; T218-D220 PolarHBondContact O-N 3.28Å; T218-L221 WeakPolarHBondContact O-CB 3.44Å; T218-L221 PolarHBondContact O-N 3.08Å; T218-L221 VanDerWaalsContact O-N 3.08Å; T218-E222 WeakPolarHBondContact CB-OE1 3.49Å; T218-E222 WeakPolarHBondContact O-CB 3.05Å; T218-E222 VanDerWaalsContact O-CG 3.31Å; T218-E222 WeakPolarHBondContact O-CG 3.36Å; T218-E222 PolarHBondContact O-N 3.06Å; T218-E222 PolarHBondContact OG1-OE1 2.92Å; T218-V260 HydrophobicContact CG2-CG2 3.83Å; T218-L465 HydrophobicContact CG2-CB 4.17Å; T218-N466 PolarHBondContact N-O 3.17Å; T218-S470 WeakPolarHBondContact OG1-CB 3.03Å
219A91.9Very high90.6Very high2 Ų228.7 Ų28.72%0.01714%0.138CC..Hα-helixtrans-56.6-39.9173.300000112.7Y217 S223 R309 V311Y217-A219 PolarHBondContact O-N 3Å; A219-S223 WeakPolarHBondContact O-CB 3.41Å; A219-S223 PolarHBondContact O-N 2.81Å; A219-S223 PolarHBondContact O-OG 2.86Å; A219-R309 CarbonylContact C-O 3.51Å; A219-V311 HydrophobicContact CB-CG2 3.96Å
220D94.1Very high90.1Very high4 Ų428.3 Ų28.32%0.02114%0.136CC..Hα-helixtrans-67.8-39.3175.3-66.3-65.1000111Y217 T218 S223 A224 W310 V311 G312 C313 S326Y217-D220 PolarHBondContact O-N 2.76Å; T218-D220 VanDerWaalsContact C-N 3.29Å; T218-D220 PolarHBondContact O-N 3.28Å; D220-S223 PolarHBondContact O-N 2.68Å; D220-A224 WeakPolarHBondContact O-CB 3.26Å; D220-A224 PolarHBondContact O-N 3.1Å; D220-W310 WeakPolarHBondContact OD1-CA 3.29Å; D220-V311 PolarHBondContact OD1-N 3.29Å; D220-G312 WeakPolarHBondContact OD2-CA 3.28Å; D220-G312 PolarHBondContact OD2-N 3.39Å; D220-C313 WeakPolarHBondContact OD1-CB 3.41Å; D220-C313 PolarHBondContact OD1-N 3.3Å; D220-C313 VanDerWaalsContact OD1-N 3.08Å; D220-C313 PolarHBondContact OD2-N 3.05Å; D220-S326 WeakPolarHBondContact O-CB 3.45Å
221L94.8Very high89.7Confident0 Ų022.7 Ų22.70%011%0.106CC..Hα-helixtrans-68.6-44.5178.3-59.4-178.9000112.6V216 T218 S223 A224 L225 Y258 T329 L330 V333 L465V216-L221 HydrophobicContact CG1-CD1 4.49Å; T218-L221 WeakPolarHBondContact O-CB 3.44Å; T218-L221 PolarHBondContact O-N 3.08Å; T218-L221 VanDerWaalsContact O-N 3.08Å; L221-S223 VanDerWaalsContact C-N 3.3Å; L221-S223 PolarHBondContact O-N 2.97Å; L221-A224 WeakPolarHBondContact O-CB 3.49Å; L221-A224 PolarHBondContact O-N 3.18Å; L221-L225 WeakPolarHBondContact O-CG 3.37Å; L221-L225 PolarHBondContact O-N 2.6Å; L221-L225 VanDerWaalsContact O-N 3.1Å; L221-Y258 HydrophobicContact CB-CE2 4.02Å; L221-Y258 WeakPolarHBondContact CB-OH 3.45Å; L221-Y258 HydrophobicContact CD1-CE2 4.27Å; L221-T329 HydrophobicContact CD2-CG2 3.97Å; L221-L330 HydrophobicContact CD2-CB 4Å; L221-L330 HydrophobicContact CD2-CD1 4.25Å; L221-V333 HydrophobicContact CD1-CG2 4.36Å; L221-L465 HydrophobicContact CD1-CD2 4.31Å
222E91.5Very high89.4Confident8 Ų821.2 Ų21.24%0.03710%0.1CC..Hα-helixtrans-59.7-42.4173.3-72.2162.1-131.200110.7T218 L225 H226 V264 L304 S470 L471 T472T218-E222 WeakPolarHBondContact CB-OE1 3.49Å; T218-E222 WeakPolarHBondContact O-CB 3.05Å; T218-E222 VanDerWaalsContact O-CG 3.31Å; T218-E222 WeakPolarHBondContact O-CG 3.36Å; T218-E222 PolarHBondContact O-N 3.06Å; T218-E222 PolarHBondContact OG1-OE1 2.92Å; E222-L225 PolarHBondContact O-N 2.94Å; E222-H226 WeakPolarHBondContact O-CB 3.27Å; E222-H226 PolarHBondContact O-N 3.36Å; E222-V264 HydrophobicContact CG-CG2 4.05Å; E222-L304 HydrophobicContact CB-CD2 4.35Å; E222-S470 WeakPolarHBondContact OE1-CB 3.48Å; E222-S470 PolarHBondContact OE1-OG 3.43Å; E222-S470 PolarHBondContact OE2-OG 3.06Å; E222-L471 PolarHBondContact OE2-N 3.28Å; E222-T472 PolarHBondContact OE1-OG1 3.26Å; E222-T472 PolarHBondContact OE2-OG1 3.34Å
223S90.3Very high88.8Confident5 Ų517.6 Ų17.64%0.0358%0.081CC..Hα-helixtrans-68.3-34.1176.5-59.30000112.4A219 D220 L221 H226 Y227 R309A219-S223 WeakPolarHBondContact O-CB 3.41Å; A219-S223 PolarHBondContact O-N 2.81Å; A219-S223 PolarHBondContact O-OG 2.86Å; D220-S223 PolarHBondContact O-N 2.68Å; L221-S223 VanDerWaalsContact C-N 3.3Å; L221-S223 PolarHBondContact O-N 2.97Å; S223-H226 PolarHBondContact O-N 3.25Å; S223-Y227 VanDerWaalsContact O-CB 3.3Å; S223-Y227 WeakPolarHBondContact O-CB 3.06Å; S223-Y227 PolarHBondContact O-N 3.46Å; S223-R309 PolarHBondContact OG-N 3.12Å; S223-R309 PolarHBondContact OG-O 3.44Å
224A92.9Very high87.7Confident1 Ų110.3 Ų10.31%0.0085%0.053CC..Hα-helixtrans-61.4-46.6172.500000111.5D220 L221 Y227 L228 Y323 S326 L330D220-A224 WeakPolarHBondContact O-CB 3.26Å; D220-A224 PolarHBondContact O-N 3.1Å; L221-A224 WeakPolarHBondContact O-CB 3.49Å; L221-A224 PolarHBondContact O-N 3.18Å; A224-Y227 PolarHBondContact O-N 3.02Å; A224-L228 VanDerWaalsContact O-CB 3.24Å; A224-L228 WeakPolarHBondContact O-CB 3.46Å; A224-L228 PolarHBondContact O-N 3.2Å; A224-Y323 HydrophobicContact CB-CE2 4.45Å; A224-Y323 WeakPolarHBondContact O-CE2 3.34Å; A224-S326 VanDerWaalsContact CB-OG 3.3Å; A224-S326 WeakPolarHBondContact CB-OG 3.42Å; A224-L330 HydrophobicContact CB-CD2 4.39Å
225L91.1Very high86.4Confident0 Ų08.9 Ų8.90%04%0.044CC..Hα-helixtrans-68.8-38.4178.9-64.8172.6000111.9L221 E222 L229 F250 V254 Y258 V264 M268 L304 L330L221-L225 WeakPolarHBondContact O-CG 3.37Å; L221-L225 PolarHBondContact O-N 2.6Å; L221-L225 VanDerWaalsContact O-N 3.1Å; E222-L225 PolarHBondContact O-N 2.94Å; L225-L229 WeakPolarHBondContact O-CB 3.35Å; L225-L229 VanDerWaalsContact O-CG 3.29Å; L225-L229 WeakPolarHBondContact O-CG 3.42Å; L225-L229 PolarHBondContact O-N 3.27Å; L225-F250 HydrophobicContact CD2-CE1 4.08Å; L225-F250 HydrophobicContact CD2-CZ 3.95Å; L225-V254 HydrophobicContact CD1-CG1 4.06Å; L225-V254 HydrophobicContact CD2-CG1 4.04Å; L225-V254 HydrophobicContact CD2-CG2 4.1Å; L225-Y258 HydrophobicContact CD1-CD2 4.26Å; L225-Y258 HydrophobicContact CD1-CE2 3.9Å; L225-V264 HydrophobicContact CD1-CG1 3.45Å; L225-V264 VanDerWaalsContact CD1-CG1 3.45Å; L225-M268 HydrophobicContact CB-CE 4.14Å; L225-M268 HydrophobicContact CD1-CE 4.01Å; L225-M268 HydrophobicContact CD2-CE 3.91Å; L225-M268 HydrophobicContact CG-CE 4.24Å; L225-L304 HydrophobicContact CB-CD1 3.84Å; L225-L304 HydrophobicContact CB-CD2 3.96Å; L225-L304 HydrophobicContact CD1-CD2 4.29Å; L225-L330 HydrophobicContact CD2-CD2 3.76Å; L225-L330 HydrophobicContact CG-CD2 4.34Å
226H86.6Confident85.2Confident2 Ų26.9 Ų6.91%0.0094%0.035CC..Hα-helixtrans-58.7-54.6171.4175.3130.2000110.8E18 E222 S223 L228 L229 R230 G305 A306 L308E18-H226 IonicContact OE1-NE2 2.76Å; E18-H226 IonicContact OE2-NE2 3.24Å; E222-H226 WeakPolarHBondContact O-CB 3.27Å; E222-H226 PolarHBondContact O-N 3.36Å; S223-H226 PolarHBondContact O-N 3.25Å; H226-L228 VanDerWaalsContact C-N 3.31Å; H226-L228 PolarHBondContact O-N 2.88Å; H226-L229 PolarHBondContact O-N 2.98Å; H226-R230 PolarHBondContact CE1-NE 3.32Å; H226-R230 PolarHBondContact CE1-NH1 3.35Å; H226-R230 WeakPolarHBondContact NE2-CD 3.34Å; H226-R230 WeakPolarHBondContact O-CB 3.33Å; H226-R230 WeakPolarHBondContact O-CG 3.33Å; H226-R230 PolarHBondContact O-N 2.76Å; H226-G305 PolarHBondContact CE1-O 3.43Å; H226-G305 PolarHBondContact ND1-O 2.03Å; H226-A306 PolarHBondContact CE1-O 3Å; H226-L308 HydrophobicContact CB-CD2 4.44Å; H226-L308 VanDerWaalsContact CD2-CD2 3.46Å; H226-L308 WeakPolarHBondContact CD2-CD2 3.03Å
227Y85.8Confident83.7Confident18 Ų188.2 Ų8.27%0.0715%0.05CC..Hα-helixtrans-62-41.1-176.7-168.1-79.5000111.3A16 S223 A224 L229 V231 E232 L308 W310 Y323A16-Y227 WeakPolarHBondContact CA-OH 3.21Å; A16-Y227 WeakPolarHBondContact CB-OH 3.41Å; S223-Y227 VanDerWaalsContact O-CB 3.3Å; S223-Y227 WeakPolarHBondContact O-CB 3.06Å; S223-Y227 PolarHBondContact O-N 3.46Å; A224-Y227 PolarHBondContact O-N 3.02Å; Y227-L229 PolarHBondContact O-N 3.31Å; Y227-V231 HydrophobicContact CD1-CB 4Å; Y227-V231 HydrophobicContact CD1-CG2 4.38Å; Y227-V231 HydrophobicContact CD2-CB 4.4Å; Y227-V231 HydrophobicContact CD2-CG2 3.95Å; Y227-V231 HydrophobicContact CE1-CB 3.84Å; Y227-V231 HydrophobicContact CE1-CG1 3.9Å; Y227-V231 HydrophobicContact CE1-CG2 4.41Å; Y227-V231 HydrophobicContact CE2-CB 4.28Å; Y227-V231 HydrophobicContact CE2-CG1 4.29Å; Y227-V231 HydrophobicContact CE2-CG2 4Å; Y227-V231 HydrophobicContact CG-CB 4.27Å; Y227-V231 HydrophobicContact CG-CG2 4.15Å; Y227-V231 WeakPolarHBondContact O-CA 3.35Å; Y227-V231 VanDerWaalsContact O-CB 3.29Å; Y227-V231 WeakPolarHBondContact O-CB 3.25Å; Y227-V231 PolarHBondContact O-N 3.37Å; Y227-E232 HydrophobicContact CD1-CG 3.8Å; Y227-E232 HydrophobicContact CE1-CG 3.8Å; Y227-E232 WeakPolarHBondContact CE1-OE1 3.34Å; Y227-E232 PolarHBondContact O-N 3.41Å; Y227-L308 HydrophobicContact CD2-CD1 3.75Å; Y227-L308 HydrophobicContact CD2-CD2 3.96Å; Y227-L308 HydrophobicContact CE2-CD1 4.28Å; Y227-L308 HydrophobicContact CG-CD2 4.42Å; Y227-W310 HydrophobicContact CD2-CZ2 4.45Å; Y227-Y323 AromaticContact CD1-CD1 3.36Å; Y227-Y323 HydrophobicContact CD1-CD1 3.36Å; Y227-Y323 AromaticContact CD1-CD2 3.51Å; Y227-Y323 HydrophobicContact CD1-CD2 3.51Å; Y227-Y323 AromaticContact CD1-CE1 3.68Å; Y227-Y323 HydrophobicContact CD1-CE1 3.68Å; Y227-Y323 AromaticContact CD1-CE2 3.81Å; Y227-Y323 HydrophobicContact CD1-CE2 3.81Å; Y227-Y323 AromaticContact CD1-CG 3.27Å; Y227-Y323 HydrophobicContact CD1-CG 3.27Å; Y227-Y323 AromaticContact CD1-CZ 3.89Å; Y227-Y323 HydrophobicContact CD2-CG 4.37Å; Y227-Y323 AromaticContact CE1-CD1 3.39Å; Y227-Y323 HydrophobicContact CE1-CD1 3.39Å; Y227-Y323 HydrophobicContact CE1-CD2 4.34Å; Y227-Y323 AromaticContact CE1-CE1 3.88Å; Y227-Y323 HydrophobicContact CE1-CE1 3.88Å; Y227-Y323 AromaticContact CE1-CG 3.65Å; Y227-Y323 HydrophobicContact CE1-CG 3.65Å; Y227-Y323 HydrophobicContact CG-CD1 4.24Å; Y227-Y323 AromaticContact CG-CD2 3.7Å; Y227-Y323 HydrophobicContact CG-CD2 3.7Å; Y227-Y323 HydrophobicContact CG-CE2 4.26Å; Y227-Y323 AromaticContact CG-CG 3.68Å; Y227-Y323 HydrophobicContact CG-CG 3.68Å
228L88.9Confident82.8Confident0 Ų010.7 Ų10.70%07%0.066CC..Iπ-helixtrans-57.2-49.5173.9-179.2153.1000111.9A224 H226 L233 F247 F250 Y364A224-L228 VanDerWaalsContact O-CB 3.24Å; A224-L228 WeakPolarHBondContact O-CB 3.46Å; A224-L228 PolarHBondContact O-N 3.2Å; H226-L228 VanDerWaalsContact C-N 3.31Å; H226-L228 PolarHBondContact O-N 2.88Å; L228-L233 WeakPolarHBondContact O-CB 3.46Å; L228-L233 PolarHBondContact O-N 3.24Å; L228-F247 HydrophobicContact CD2-CE2 4.39Å; L228-F250 HydrophobicContact CD1-CD1 4.09Å; L228-F250 HydrophobicContact CD1-CE1 3.38Å; L228-F250 HydrophobicContact CD1-CE2 3.87Å; L228-F250 HydrophobicContact CD1-CZ 3.26Å; L228-F250 HydrophobicContact CD2-CD1 4.19Å; L228-F250 HydrophobicContact CD2-CE1 3.82Å; L228-F250 HydrophobicContact CG-CE1 4.27Å; L228-Y364 HydrophobicContact CD1-CD2 4.14Å; L228-Y364 HydrophobicContact CD1-CE1 4.23Å; L228-Y364 HydrophobicContact CD1-CE2 3.36Å; L228-Y364 VanDerWaalsContact CD1-CZ 3.43Å; L228-Y364 WeakPolarHBondContact CD1-OH 3.45Å; L228-Y364 HydrophobicContact CD2-CE2 4.35Å; L228-Y364 HydrophobicContact CG-CE2 3.68Å; L228-Y364 WeakPolarHBondContact CG-OH 3.18Å
229L80.8Confident82.2Confident6 Ų610.6 Ų10.63%0.0317%0.065CC..Iπ-helixtrans-75-34.1-176.4-69.2171.8000113.4L225 H226 Y227 L233 F247 M268 L271 L304L225-L229 WeakPolarHBondContact O-CB 3.35Å; L225-L229 VanDerWaalsContact O-CG 3.29Å; L225-L229 WeakPolarHBondContact O-CG 3.42Å; L225-L229 PolarHBondContact O-N 3.27Å; H226-L229 PolarHBondContact O-N 2.98Å; Y227-L229 PolarHBondContact O-N 3.31Å; L229-L233 HydrophobicContact CD2-CD2 4.26Å; L229-F247 HydrophobicContact CD2-CE2 3.68Å; L229-F247 HydrophobicContact CD2-CZ 3.64Å; L229-M268 HydrophobicContact CD1-CE 4.08Å; L229-L271 HydrophobicContact CD2-CD2 4.36Å; L229-L304 HydrophobicContact CD1-CD1 3.66Å
230R76.3Confident81.9Confident28 Ų2815.7 Ų15.711%0.1069%0.089CC..Iπ-helixtrans-99.1-18.5-173.3-62.4-155.6-167.9169.77.1115.6E18 H226 A234 M289 Y292 A306E18-R230 WeakPolarHBondContact OE1-CD 3.35Å; E18-R230 IonicContact OE1-CZ 3.17Å; E18-R230 IonicContact OE1-NE 2.65Å; E18-R230 IonicContact OE1-NH1 3.5Å; E18-R230 PolarHBondContact OE1-NH1 2.98Å; E18-R230 IonicContact OE2-NH1 2.75Å; H226-R230 PolarHBondContact CE1-NE 3.32Å; H226-R230 PolarHBondContact CE1-NH1 3.35Å; H226-R230 WeakPolarHBondContact NE2-CD 3.34Å; H226-R230 WeakPolarHBondContact O-CB 3.33Å; H226-R230 WeakPolarHBondContact O-CG 3.33Å; H226-R230 PolarHBondContact O-N 2.76Å; R230-A234 VanDerWaalsContact C-CB 3.43Å; R230-A234 WeakPolarHBondContact O-CB 3.44Å; R230-M289 HydrophobicContact CB-CE 4.36Å; R230-M289 HydrophobicContact CG-CE 4.07Å; R230-Y292 HydrophobicContact CG-CE1 4.45Å; R230-Y292 PolarHBondContact NE-OH 2.84Å; R230-Y292 PolarHBondContact NH2-OH 3.17Å; R230-A306 PolarHBondContact NH1-O 3.24Å; R230-A306 VanDerWaalsContact NH1-O 3.09Å
231V77.6Confident81.5Confident7 Ų717.8 Ų17.84%0.04211%0.111CC..Iπ-helixtrans-121.3-62.5-176.8-170.80000110.5Y227 A234 A235Y227-V231 HydrophobicContact CD1-CB 4Å; Y227-V231 HydrophobicContact CD1-CG2 4.38Å; Y227-V231 HydrophobicContact CD2-CB 4.4Å; Y227-V231 HydrophobicContact CD2-CG2 3.95Å; Y227-V231 HydrophobicContact CE1-CB 3.84Å; Y227-V231 HydrophobicContact CE1-CG1 3.9Å; Y227-V231 HydrophobicContact CE1-CG2 4.41Å; Y227-V231 HydrophobicContact CE2-CB 4.28Å; Y227-V231 HydrophobicContact CE2-CG1 4.29Å; Y227-V231 HydrophobicContact CE2-CG2 4Å; Y227-V231 HydrophobicContact CG-CB 4.27Å; Y227-V231 HydrophobicContact CG-CG2 4.15Å; Y227-V231 WeakPolarHBondContact O-CA 3.35Å; Y227-V231 VanDerWaalsContact O-CB 3.29Å; Y227-V231 WeakPolarHBondContact O-CB 3.25Å; Y227-V231 PolarHBondContact O-N 3.37Å; V231-A234 PolarHBondContact O-N 3.09Å; V231-A235 PolarHBondContact O-N 3.43Å
232E83.6Confident81.2Confident10 Ų1021.5 Ų21.55%0.04714%0.142CC..Iπ-helixtrans-66.2-55.2-174.3-61.4-81.8158.400111.9Y227 A234 A235 Y323 Y364 F368 F369 G370Y227-E232 HydrophobicContact CD1-CG 3.8Å; Y227-E232 HydrophobicContact CE1-CG 3.8Å; Y227-E232 WeakPolarHBondContact CE1-OE1 3.34Å; Y227-E232 PolarHBondContact O-N 3.41Å; E232-A234 PolarHBondContact O-N 2.87Å; E232-A235 WeakPolarHBondContact O-CB 3.27Å; E232-A235 PolarHBondContact O-N 3.4Å; E232-Y323 HydrophobicContact CG-CD1 4.47Å; E232-Y323 HydrophobicContact CG-CE1 3.63Å; E232-Y323 VanDerWaalsContact OE1-CE1 3.28Å; E232-Y323 WeakPolarHBondContact OE1-CE1 3.1Å; E232-Y364 WeakPolarHBondContact CB-OH 3.47Å; E232-F368 VanDerWaalsContact OE2-O 3.05Å; E232-F369 WeakPolarHBondContact OE2-CA 3.47Å; E232-G370 PolarHBondContact OE2-N 2.94Å
233L78.3Confident81Confident1 Ų124.1 Ų24.11%0.00515%0.154CC..G310 helixtrans-62.2-33.4173.8-165.476.2000111.2L228 L229 A235 H236 L239 F247 L285 I288 F368L228-L233 WeakPolarHBondContact O-CB 3.46Å; L228-L233 PolarHBondContact O-N 3.24Å; L229-L233 HydrophobicContact CD2-CD2 4.26Å; L233-A235 PolarHBondContact O-N 3.27Å; L233-H236 WeakPolarHBondContact O-CB 3.18Å; L233-H236 PolarHBondContact O-N 3.4Å; L233-L239 HydrophobicContact CD1-CD1 3.66Å; L233-L239 HydrophobicContact CD1-CD2 4.08Å; L233-L239 HydrophobicContact CD1-CG 4.5Å; L233-L239 HydrophobicContact CD2-CD1 4.26Å; L233-L239 HydrophobicContact CG-CD1 4.08Å; L233-F247 HydrophobicContact CD1-CB 4.41Å; L233-F247 HydrophobicContact CD1-CD2 3.53Å; L233-F247 HydrophobicContact CD1-CE2 3.84Å; L233-F247 HydrophobicContact CD1-CG 3.91Å; L233-F247 HydrophobicContact CD1-CZ 4.43Å; L233-F247 HydrophobicContact CD2-CD2 4.07Å; L233-F247 HydrophobicContact CD2-CE1 3.98Å; L233-F247 HydrophobicContact CD2-CE2 3.51Å; L233-F247 HydrophobicContact CD2-CZ 3.44Å; L233-F247 VanDerWaalsContact CD2-CZ 3.44Å; L233-F247 HydrophobicContact CG-CD2 4.44Å; L233-F247 HydrophobicContact CG-CE2 4.28Å; L233-L285 HydrophobicContact CD2-CD1 4.06Å; L233-L285 HydrophobicContact CG-CD1 3.96Å; L233-L285 WeakPolarHBondContact O-CD1 3.4Å; L233-I288 HydrophobicContact CD2-CD1 4.35Å; L233-I288 HydrophobicContact CD2-CG2 4.13Å; L233-F368 HydrophobicContact CD1-CD1 4.01Å; L233-F368 HydrophobicContact CD1-CE1 3.62Å; L233-F368 HydrophobicContact CD1-CE2 4.49Å; L233-F368 HydrophobicContact CD1-CZ 3.87Å
234A66.1Low80.9Confident0 Ų024.2 Ų24.20%015%0.154CC..G310 helixtrans-75.1-16.9-173.400000112.7F21 R230 V231 E232 H236 L285F21-A234 HydrophobicContact CD2-CB 4.2Å; F21-A234 HydrophobicContact CE1-CB 4.09Å; F21-A234 VanDerWaalsContact CE2-C 3.45Å; F21-A234 HydrophobicContact CE2-CB 3.28Å; F21-A234 WeakPolarHBondContact CE2-O 3.42Å; F21-A234 HydrophobicContact CZ-CB 3.23Å; F21-A234 VanDerWaalsContact CZ-O 3.27Å; F21-A234 WeakPolarHBondContact CZ-O 2.99Å; R230-A234 VanDerWaalsContact C-CB 3.43Å; R230-A234 WeakPolarHBondContact O-CB 3.44Å; V231-A234 PolarHBondContact O-N 3.09Å; E232-A234 PolarHBondContact O-N 2.87Å; A234-H236 PolarHBondContact O-N 2.7Å; A234-L285 VanDerWaalsContact CA-CD2 3.42Å; A234-L285 HydrophobicContact CB-CD2 4.06Å; A234-L285 VanDerWaalsContact O-CD2 3.24Å; A234-L285 WeakPolarHBondContact O-CD2 3.04Å
235A64.6Low80.8Confident13 Ų1329.1 Ų29.111%0.10718%0.175CC..G310 helixtrans-74.315.816400000114W30 V231 E232 L233W30-A235 HydrophobicContact CE3-CB 3.93Å; W30-A235 HydrophobicContact CZ3-CB 4.48Å; W30-A235 WeakPolarHBondContact CZ3-O 3.3Å; V231-A235 PolarHBondContact O-N 3.43Å; E232-A235 WeakPolarHBondContact O-CB 3.27Å; E232-A235 PolarHBondContact O-N 3.4Å; L233-A235 PolarHBondContact O-N 3.27Å
236H69.1Low80.9Confident22 Ų2229.6 Ų29.610%0.10218%0.178CC..  trans-123.7113.4169.8-68.4-115.8000109.5L233 A234 T238 L239 E243 L285 F368L233-H236 WeakPolarHBondContact O-CB 3.18Å; L233-H236 PolarHBondContact O-N 3.4Å; A234-H236 PolarHBondContact O-N 2.7Å; H236-T238 PolarHBondContact O-N 2.91Å; H236-L239 HydrophobicContact CB-CD2 3.71Å; H236-E243 IonicContact CE1-OE1 3.38Å; H236-E243 PolarHBondContact CE1-OE1 3.32Å; H236-E243 VanDerWaalsContact CE1-OE1 3.28Å; H236-E243 IonicContact ND1-OE1 2.64Å; H236-E243 PolarHBondContact ND1-OE1 3.19Å; H236-E243 IonicContact ND1-OE2 2.77Å; H236-L285 WeakPolarHBondContact O-CB 3.17Å; H236-L285 VanDerWaalsContact O-CD2 3.29Å; H236-L285 WeakPolarHBondContact O-CD2 3.21Å; H236-F368 AromaticContact CD2-CD1 3.63Å; H236-F368 AromaticContact CD2-CE1 4Å; H236-F368 AromaticContact CE1-CD1 3.76Å; H236-F368 AromaticContact CE1-CE1 3.91Å; H236-F368 AromaticContact ND1-CE1 3.97Å; H236-F368 AromaticContact NE2-CD1 3.38Å; H236-F368 WeakPolarHBondContact NE2-CD1 3.22Å; H236-F368 AromaticContact NE2-CE1 3.93Å
237G65.6Low81.1Confident35 Ų3529.5 Ų29.536%0.36118%0.178SC..SBendtrans-59.6-32.1-175.900000114.2
238T75.7Confident81.4Confident60 Ų6031.1 Ų31.137%0.36819%0.185SC..EExtended strand (participates in β ladder)trans-147.4149176.842.70000108.6H236 L282 L284H236-T238 PolarHBondContact O-N 2.91Å; T238-L282 HydrophobicContact CG2-CD1 3.97Å; T238-L284 HydrophobicContact CG2-CD1 3.97Å
239L81.2Confident81.6Confident0 Ų031.9 Ų31.90%019%0.189CC..EExtended strand (participates in β ladder)trans-112.7122172.5-58.7176.3000109.3L233 H236 E243 L244 F247 V283 I288 F368L233-L239 HydrophobicContact CD1-CD1 3.66Å; L233-L239 HydrophobicContact CD1-CD2 4.08Å; L233-L239 HydrophobicContact CD1-CG 4.5Å; L233-L239 HydrophobicContact CD2-CD1 4.26Å; L233-L239 HydrophobicContact CG-CD1 4.08Å; H236-L239 HydrophobicContact CB-CD2 3.71Å; L239-E243 HydrophobicContact CD2-CB 4.35Å; L239-L244 HydrophobicContact CB-CB 4.32Å; L239-L244 HydrophobicContact CB-CD1 4.35Å; L239-F247 HydrophobicContact CD1-CB 4.42Å; L239-F247 HydrophobicContact CD1-CD1 4.02Å; L239-F247 HydrophobicContact CD1-CG 4.27Å; L239-V283 PolarHBondContact N-O 2.99Å; L239-V283 PolarHBondContact O-N 3.23Å; L239-I288 HydrophobicContact CD1-CD1 3.5Å; L239-I288 VanDerWaalsContact CD1-CD1 3.5Å; L239-F368 HydrophobicContact CD2-CE1 3.68Å; L239-F368 HydrophobicContact CD2-CZ 4.05Å
240E84.4Confident82.3Confident110 Ų11031.7 Ų31.751%0.51419%0.188SC..EExtended strand (participates in β ladder)trans-138.8159.4177.656.7-177.9-177.200112.8A242 E243 L244 E281 L282E240-A242 PolarHBondContact O-N 3.27Å; E240-A242 VanDerWaalsContact O-N 3.07Å; E240-E243 PolarHBondContact O-N 2.96Å; E240-L244 PolarHBondContact O-N 2.89Å; E240-E281 VanDerWaalsContact CA-O 3.31Å; E240-E281 WeakPolarHBondContact CA-O 3.34Å; E240-L282 HydrophobicContact CB-CB 4.29Å; E240-L282 HydrophobicContact CB-CD1 3.82Å; E240-L282 HydrophobicContact CG-CD1 4.33Å
241G86.4Confident83.1Confident48 Ų4830.4 Ų30.450%0.49518%0.184SC..Hα-helixtrans48.9-113.1172.700000113.8K245 E281G241-K245 PolarHBondContact O-N 2.82Å; G241-E281 PolarHBondContact N-O 3.12Å
242A87.8Confident83.9Confident78 Ų7831 Ų3165%0.64519%0.187SC*.Hα-helixtrans-63.7-42.8-178.800000112.9E240 L244 K245 V246E240-A242 PolarHBondContact O-N 3.27Å; E240-A242 VanDerWaalsContact O-N 3.07Å; A242-L244 PolarHBondContact O-N 3.39Å; A242-K245 PolarHBondContact O-N 3.48Å; A242-V246 WeakPolarHBondContact O-CG2 3.19Å; A242-V246 PolarHBondContact O-N 2.79Å
243E88.3Confident84.5Confident62 Ų6230.5 Ų30.529%0.2919%0.185SC..Hα-helixtrans-64.1-44.3-179-56.1-169.6130.700111H236 L239 E240 K245 V246 F247 T367 F368H236-E243 IonicContact CE1-OE1 3.38Å; H236-E243 PolarHBondContact CE1-OE1 3.32Å; H236-E243 VanDerWaalsContact CE1-OE1 3.28Å; H236-E243 IonicContact ND1-OE1 2.64Å; H236-E243 PolarHBondContact ND1-OE1 3.19Å; H236-E243 IonicContact ND1-OE2 2.77Å; L239-E243 HydrophobicContact CD2-CB 4.35Å; E240-E243 PolarHBondContact O-N 2.96Å; E243-K245 VanDerWaalsContact C-N 3.31Å; E243-K245 PolarHBondContact O-N 2.56Å; E243-V246 PolarHBondContact O-N 3.38Å; E243-F247 PolarHBondContact O-N 2.64Å; E243-T367 HydrophobicContact CB-CG2 4.09Å; E243-T367 HydrophobicContact CG-CG2 3.84Å; E243-F368 HydrophobicContact CB-CZ 4.28Å
244L88.1Confident85.3Confident7 Ų730.4 Ų30.44%0.03718%0.184CC..Hα-helixtrans-62.1-38175.2-178.161000111.7L239 E240 A242 F247 K248 L275 E281 V283L239-L244 HydrophobicContact CB-CB 4.32Å; L239-L244 HydrophobicContact CB-CD1 4.35Å; E240-L244 PolarHBondContact O-N 2.89Å; A242-L244 PolarHBondContact O-N 3.39Å; L244-F247 PolarHBondContact O-N 3.39Å; L244-K248 HydrophobicContact CG-CD 4.43Å; L244-K248 WeakPolarHBondContact O-CB 3.34Å; L244-K248 VanDerWaalsContact O-CG 3.3Å; L244-K248 WeakPolarHBondContact O-CG 3.34Å; L244-K248 PolarHBondContact O-N 3.41Å; L244-L275 HydrophobicContact CD1-CD2 4.07Å; L244-E281 WeakPolarHBondContact CD2-O 3.31Å; L244-V283 HydrophobicContact CD1-CB 4.26Å; L244-V283 HydrophobicContact CD1-CG2 3.69Å; L244-V283 HydrophobicContact CD2-CG2 3.88Å; L244-V283 HydrophobicContact CG-CG2 4.45Å
245K90.1Very high86.6Confident104 Ų10431.1 Ų31.145%0.45219%0.19SC..Hα-helixtrans-63.4-47173.2-166.9-161.8-179.4-57.40111.4G241 A242 E243 F247 K248 D249G241-K245 PolarHBondContact O-N 2.82Å; A242-K245 PolarHBondContact O-N 3.48Å; E243-K245 VanDerWaalsContact C-N 3.31Å; E243-K245 PolarHBondContact O-N 2.56Å; K245-F247 VanDerWaalsContact C-N 3.27Å; K245-F247 PolarHBondContact O-N 2.89Å; K245-K248 PolarHBondContact O-N 3.48Å; K245-D249 IonicContact NZ-OD1 2.79Å; K245-D249 PolarHBondContact NZ-OD1 3.07Å; K245-D249 IonicContact NZ-OD2 2.7Å; K245-D249 PolarHBondContact NZ-OD2 3.17Å; K245-D249 PolarHBondContact O-N 3.17Å
246V93.4Very high88Confident10 Ų1035.3 Ų35.36%0.06121%0.206CC..Hα-helixtrans-59.2-40.9178.5177.40000111.1A242 E243 F250 R363 F368A242-V246 WeakPolarHBondContact O-CG2 3.19Å; A242-V246 PolarHBondContact O-N 2.79Å; E243-V246 PolarHBondContact O-N 3.38Å; V246-F250 WeakPolarHBondContact O-CB 3.41Å; V246-F250 PolarHBondContact O-N 3.22Å; V246-R363 HydrophobicContact CB-CB 4.44Å; V246-R363 HydrophobicContact CG1-CB 3.84Å; V246-R363 HydrophobicContact CG2-CB 3.77Å; V246-R363 HydrophobicContact CG2-CG 4.45Å; V246-F368 HydrophobicContact CB-CE2 4.03Å; V246-F368 HydrophobicContact CG1-CD2 4.15Å; V246-F368 HydrophobicContact CG1-CE2 3.76Å
247F91.7Very high89.3Confident1 Ų134.5 Ų34.50%0.00420%0.202CC..Hα-helixtrans-65.9-43.2175.9-174.2-122.1000112.6L228 L229 L233 L239 E243 L244 K245 F250 V251 L271 L275 I288 F368L228-F247 HydrophobicContact CD2-CE2 4.39Å; L229-F247 HydrophobicContact CD2-CE2 3.68Å; L229-F247 HydrophobicContact CD2-CZ 3.64Å; L233-F247 HydrophobicContact CD1-CB 4.41Å; L233-F247 HydrophobicContact CD1-CD2 3.53Å; L233-F247 HydrophobicContact CD1-CE2 3.84Å; L233-F247 HydrophobicContact CD1-CG 3.91Å; L233-F247 HydrophobicContact CD1-CZ 4.43Å; L233-F247 HydrophobicContact CD2-CD2 4.07Å; L233-F247 HydrophobicContact CD2-CE1 3.98Å; L233-F247 HydrophobicContact CD2-CE2 3.51Å; L233-F247 HydrophobicContact CD2-CZ 3.44Å; L233-F247 VanDerWaalsContact CD2-CZ 3.44Å; L233-F247 HydrophobicContact CG-CD2 4.44Å; L233-F247 HydrophobicContact CG-CE2 4.28Å; L239-F247 HydrophobicContact CD1-CB 4.42Å; L239-F247 HydrophobicContact CD1-CD1 4.02Å; L239-F247 HydrophobicContact CD1-CG 4.27Å; E243-F247 PolarHBondContact O-N 2.64Å; L244-F247 PolarHBondContact O-N 3.39Å; K245-F247 VanDerWaalsContact C-N 3.27Å; K245-F247 PolarHBondContact O-N 2.89Å; F247-F250 PolarHBondContact O-N 3.19Å; F247-V251 HydrophobicContact CD1-CG2 4.5Å; F247-V251 HydrophobicContact CD2-CG2 4.16Å; F247-V251 HydrophobicContact CE1-CG2 4.13Å; F247-V251 HydrophobicContact CE2-CG2 3.74Å; F247-V251 HydrophobicContact CZ-CG2 3.74Å; F247-V251 WeakPolarHBondContact O-CG2 3.23Å; F247-V251 PolarHBondContact O-N 3.18Å; F247-L271 HydrophobicContact CE1-CD2 4.4Å; F247-L271 HydrophobicContact CZ-CD2 3.95Å; F247-L275 HydrophobicContact CD1-CD1 3.9Å; F247-L275 HydrophobicContact CD1-CD2 4.22Å; F247-L275 HydrophobicContact CE1-CD1 3.82Å; F247-L275 HydrophobicContact CE1-CD2 4.29Å; F247-I288 HydrophobicContact CD1-CD1 4.32Å; F247-I288 HydrophobicContact CE1-CD1 3.91Å; F247-I288 HydrophobicContact CE1-CG2 4.31Å; F247-I288 HydrophobicContact CZ-CG2 4.34Å; F247-F368 HydrophobicContact CB-CE2 4.3Å; F247-F368 HydrophobicContact CB-CZ 4.19Å
248K90.8Very high90.6Very high52 Ų5233.3 Ų33.323%0.22619%0.187CC..Hα-helixtrans-58.5-49.9173.7-76.1179.3-179.5-165.30112L244 K245 F250 V251 T252 L275L244-K248 HydrophobicContact CG-CD 4.43Å; L244-K248 WeakPolarHBondContact O-CB 3.34Å; L244-K248 VanDerWaalsContact O-CG 3.3Å; L244-K248 WeakPolarHBondContact O-CG 3.34Å; L244-K248 PolarHBondContact O-N 3.41Å; K245-K248 PolarHBondContact O-N 3.48Å; K248-F250 VanDerWaalsContact C-N 3.29Å; K248-F250 PolarHBondContact O-N 3.16Å; K248-V251 PolarHBondContact O-N 2.83Å; K248-T252 WeakPolarHBondContact O-CB 3.45Å; K248-T252 PolarHBondContact O-N 3.42Å; K248-T252 PolarHBondContact O-OG1 3.47Å; K248-T252 VanDerWaalsContact O-OG1 3.12Å; K248-L275 WeakPolarHBondContact CE-O 3.22Å; K248-L275 HydrophobicContact CG-CB 4.05Å; K248-L275 HydrophobicContact CG-CD1 4.16Å; K248-L275 HydrophobicContact CG-CD2 4.44Å; K248-L275 HydrophobicContact CG-CG 4.46Å; K248-L275 PolarHBondContact NZ-O 3.43Å
249D94.5Very high91.1Very high16 Ų1631.8 Ų31.89%0.08618%0.178CC..Hα-helixtrans-57.4-43.6178.1-62.2-9.4000110.9K245 L253 L350 V360 R363K245-D249 IonicContact NZ-OD1 2.79Å; K245-D249 PolarHBondContact NZ-OD1 3.07Å; K245-D249 IonicContact NZ-OD2 2.7Å; K245-D249 PolarHBondContact NZ-OD2 3.17Å; K245-D249 PolarHBondContact O-N 3.17Å; D249-L253 WeakPolarHBondContact O-CB 3.32Å; D249-L253 PolarHBondContact O-N 3.31Å; D249-L350 HydrophobicContact CB-CD2 4.29Å; D249-V360 HydrophobicContact CB-CG1 4.48Å; D249-V360 HydrophobicContact CB-CG2 3.89Å; D249-R363 IonicContact OD2-CZ 3.1Å; D249-R363 IonicContact OD2-NE 2.74Å; D249-R363 PolarHBondContact OD2-NE 2.99Å; D249-R363 VanDerWaalsContact OD2-NE 3.1Å; D249-R363 IonicContact OD2-NH2 3.77Å; D249-R363 PolarHBondContact OD2-NH2 2.78Å
250F95.6Very high90.9Very high2 Ų234.2 Ų34.21%0.00919%0.192CC..Hα-helixtrans-65-48178.2179.8-91.8000113L225 L228 V246 F247 K248 T252 L253 V254 L330 F331 V360 Y364L225-F250 HydrophobicContact CD2-CE1 4.08Å; L225-F250 HydrophobicContact CD2-CZ 3.95Å; L228-F250 HydrophobicContact CD1-CD1 4.09Å; L228-F250 HydrophobicContact CD1-CE1 3.38Å; L228-F250 HydrophobicContact CD1-CE2 3.87Å; L228-F250 HydrophobicContact CD1-CZ 3.26Å; L228-F250 HydrophobicContact CD2-CD1 4.19Å; L228-F250 HydrophobicContact CD2-CE1 3.82Å; L228-F250 HydrophobicContact CG-CE1 4.27Å; V246-F250 WeakPolarHBondContact O-CB 3.41Å; V246-F250 PolarHBondContact O-N 3.22Å; F247-F250 PolarHBondContact O-N 3.19Å; K248-F250 VanDerWaalsContact C-N 3.29Å; K248-F250 PolarHBondContact O-N 3.16Å; F250-T252 VanDerWaalsContact C-N 3.33Å; F250-T252 PolarHBondContact O-N 3.03Å; F250-L253 WeakPolarHBondContact O-CB 3.03Å; F250-L253 PolarHBondContact O-N 3.23Å; F250-V254 HydrophobicContact CD1-CG2 4.28Å; F250-V254 HydrophobicContact CE1-CG2 3.71Å; F250-V254 HydrophobicContact CE2-CG2 4.05Å; F250-V254 HydrophobicContact CZ-CG2 3.56Å; F250-V254 WeakPolarHBondContact O-CG2 3.48Å; F250-V254 PolarHBondContact O-N 3.15Å; F250-L330 HydrophobicContact CZ-CD2 4.17Å; F250-F331 HydrophobicContact CD2-CE1 4.47Å; F250-F331 HydrophobicContact CD2-CZ 4.11Å; F250-F331 HydrophobicContact CE2-CE1 4.2Å; F250-F331 AromaticContact CE2-CZ 3.76Å; F250-F331 HydrophobicContact CE2-CZ 3.76Å; F250-V360 HydrophobicContact CB-CG1 4.09Å; F250-V360 HydrophobicContact CD2-CG1 4.26Å; F250-Y364 HydrophobicContact CD2-CD2 4.31Å; F250-Y364 HydrophobicContact CG-CD2 4.49Å
251V92.9Very high90.2Very high1 Ų131.6 Ų31.61%0.00620%0.195CC..Hα-helixtrans-61.8-43.2178.8172.20000110.6F247 K248 V254 A255 M268 L271 L275F247-V251 HydrophobicContact CD1-CG2 4.5Å; F247-V251 HydrophobicContact CD2-CG2 4.16Å; F247-V251 HydrophobicContact CE1-CG2 4.13Å; F247-V251 HydrophobicContact CE2-CG2 3.74Å; F247-V251 HydrophobicContact CZ-CG2 3.74Å; F247-V251 WeakPolarHBondContact O-CG2 3.23Å; F247-V251 PolarHBondContact O-N 3.18Å; K248-V251 PolarHBondContact O-N 2.83Å; V251-V254 PolarHBondContact O-N 2.93Å; V251-A255 VanDerWaalsContact O-CB 3.31Å; V251-A255 WeakPolarHBondContact O-CB 3.46Å; V251-A255 PolarHBondContact O-N 2.89Å; V251-M268 HydrophobicContact CG1-CB 4.41Å; V251-M268 VanDerWaalsContact CG1-O 3.31Å; V251-M268 WeakPolarHBondContact CG1-O 3.49Å; V251-M268 HydrophobicContact CG1-SD 4.28Å; V251-L271 HydrophobicContact CG1-CB 4.05Å; V251-L271 HydrophobicContact CG1-CD2 4.01Å; V251-L271 HydrophobicContact CG1-CG 3.96Å; V251-L271 HydrophobicContact CG2-CD2 3.7Å; V251-L271 HydrophobicContact CG2-CG 4.25Å; V251-L275 HydrophobicContact CB-CD1 4.23Å; V251-L275 HydrophobicContact CG1-CD1 4.35Å; V251-L275 HydrophobicContact CG2-CD1 4.1Å
252T94.1Very high89.9Confident18 Ų1831.7 Ų31.711%0.1120%0.196CC..Hα-helixtrans-59.8-46174-65.70000111.8K248 F250 V254 A255 K256 L350K248-T252 WeakPolarHBondContact O-CB 3.45Å; K248-T252 PolarHBondContact O-N 3.42Å; K248-T252 PolarHBondContact O-OG1 3.47Å; K248-T252 VanDerWaalsContact O-OG1 3.12Å; F250-T252 VanDerWaalsContact C-N 3.33Å; F250-T252 PolarHBondContact O-N 3.03Å; T252-V254 PolarHBondContact O-N 3.14Å; T252-A255 PolarHBondContact O-N 3.06Å; T252-K256 HydrophobicContact CG2-CG 4.42Å; T252-K256 WeakPolarHBondContact O-CB 3.48Å; T252-K256 WeakPolarHBondContact O-CG 3.5Å; T252-K256 PolarHBondContact O-N 2.89Å; T252-L350 HydrophobicContact CG2-CD1 4.31Å
253L95.6Very high89.6Confident0 Ų028.9 Ų28.90%017%0.172CC..Hα-helixtrans-59.1-46.8179.1-168.879.4000111.7D249 F250 K256 L257 F331 L334 L345 L350 V357 V360D249-L253 WeakPolarHBondContact O-CB 3.32Å; D249-L253 PolarHBondContact O-N 3.31Å; F250-L253 WeakPolarHBondContact O-CB 3.03Å; F250-L253 PolarHBondContact O-N 3.23Å; L253-K256 PolarHBondContact O-N 3.27Å; L253-L257 HydrophobicContact CD1-CD1 3.68Å; L253-L257 HydrophobicContact CG-CD1 4.07Å; L253-L257 WeakPolarHBondContact O-CB 3.38Å; L253-L257 PolarHBondContact O-N 3.23Å; L253-F331 HydrophobicContact CD2-CE1 4.43Å; L253-L334 HydrophobicContact CD2-CD1 4.09Å; L253-L345 HydrophobicContact CD1-CD1 4.37Å; L253-L345 HydrophobicContact CD1-CD2 4.18Å; L253-L350 HydrophobicContact CB-CD1 4.34Å; L253-L350 HydrophobicContact CD1-CD1 4.02Å; L253-V357 HydrophobicContact CD1-CG2 4.11Å; L253-V357 HydrophobicContact CD2-CB 4.46Å; L253-V357 HydrophobicContact CD2-CG1 4.22Å; L253-V360 HydrophobicContact CB-CG1 4.4Å; L253-V360 HydrophobicContact CD2-CB 3.96Å; L253-V360 HydrophobicContact CD2-CG1 3.8Å
254V95.3Very high89.3Confident0 Ų026.1 Ų26.10%016%0.159CC..Hα-helixtrans-67.7-42.3177.7-178.10000110.9L225 F250 V251 T252 K256 Y258 M268 L334L225-V254 HydrophobicContact CD1-CG1 4.06Å; L225-V254 HydrophobicContact CD2-CG1 4.04Å; L225-V254 HydrophobicContact CD2-CG2 4.1Å; F250-V254 HydrophobicContact CD1-CG2 4.28Å; F250-V254 HydrophobicContact CE1-CG2 3.71Å; F250-V254 HydrophobicContact CE2-CG2 4.05Å; F250-V254 HydrophobicContact CZ-CG2 3.56Å; F250-V254 WeakPolarHBondContact O-CG2 3.48Å; F250-V254 PolarHBondContact O-N 3.15Å; V251-V254 PolarHBondContact O-N 2.93Å; T252-V254 PolarHBondContact O-N 3.14Å; V254-K256 VanDerWaalsContact C-N 3.25Å; V254-K256 PolarHBondContact O-N 3.19Å; V254-Y258 HydrophobicContact CG1-CD2 4.08Å; V254-Y258 HydrophobicContact CG1-CG 4.28Å; V254-Y258 WeakPolarHBondContact O-CB 3.48Å; V254-Y258 PolarHBondContact O-N 2.87Å; V254-M268 HydrophobicContact CB-CG 4.27Å; V254-M268 HydrophobicContact CG1-CE 4.36Å; V254-M268 HydrophobicContact CG1-CG 3.84Å; V254-M268 HydrophobicContact CG1-SD 4.47Å; V254-L334 HydrophobicContact CG2-CD1 4.39Å
255A93.5Very high89.3Confident14 Ų1426.8 Ų26.812%0.11616%0.164CC..Hα-helixtrans-58-37.3176.900000112.7V251 T252 M268 E269V251-A255 VanDerWaalsContact O-CB 3.31Å; V251-A255 WeakPolarHBondContact O-CB 3.46Å; V251-A255 PolarHBondContact O-N 2.89Å; T252-A255 PolarHBondContact O-N 3.06Å; A255-M268 HydrophobicContact CB-CB 3.78Å; A255-E269 HydrophobicContact CB-CG 4.3Å
256K94.3Very high89.1Confident102 Ų10225.8 Ų25.844%0.44316%0.159SC..Hα-helixtrans-84.7-34.6-178.1-67.4-57.8-165.4165.40114.8T252 L253 V254 A344 L345T252-K256 HydrophobicContact CG2-CG 4.42Å; T252-K256 WeakPolarHBondContact O-CB 3.48Å; T252-K256 WeakPolarHBondContact O-CG 3.5Å; T252-K256 PolarHBondContact O-N 2.89Å; L253-K256 PolarHBondContact O-N 3.27Å; V254-K256 VanDerWaalsContact C-N 3.25Å; V254-K256 PolarHBondContact O-N 3.19Å; K256-A344 WeakPolarHBondContact CB-O 3.39Å; K256-A344 WeakPolarHBondContact CD-O 3.17Å; K256-L345 HydrophobicContact CB-CD2 3.82Å; K256-L345 HydrophobicContact CG-CD2 4.28Å
257L95.6Very high88.6Confident4 Ų425.7 Ų25.72%0.02116%0.158CC..Hα-helixtrans-112.1-10.3-168.9-62.9177.5000114.8L253 P259 L334 Q337 H338 A344 L345 V357L253-L257 HydrophobicContact CD1-CD1 3.68Å; L253-L257 HydrophobicContact CG-CD1 4.07Å; L253-L257 WeakPolarHBondContact O-CB 3.38Å; L253-L257 PolarHBondContact O-N 3.23Å; L257-P259 WeakPolarHBondContact O-CD 3.34Å; L257-L334 HydrophobicContact CB-CD2 3.64Å; L257-Q337 HydrophobicContact CB-CB 4.35Å; L257-Q337 VanDerWaalsContact O-CB 3.3Å; L257-Q337 WeakPolarHBondContact O-CB 3.5Å; L257-Q337 WeakPolarHBondContact O-CG 3.32Å; L257-H338 HydrophobicContact CD1-CB 3.92Å; L257-H338 HydrophobicContact CD2-CB 4.17Å; L257-A344 HydrophobicContact CD2-CB 3.65Å; L257-L345 HydrophobicContact CD1-CD1 4.41Å; L257-L345 HydrophobicContact CD1-CD2 4.11Å; L257-L345 HydrophobicContact CD1-CG 4.47Å; L257-L345 HydrophobicContact CD2-CD2 4.33Å; L257-L345 HydrophobicContact CD2-CG 4.42Å; L257-L345 HydrophobicContact CG-CD2 4.01Å; L257-V357 HydrophobicContact CD1-CG2 3.76Å
258Y93.8Very high88.5Confident11 Ų1125.6 Ų25.64%0.04316%0.158CC..  trans-65.9118.6-177.1-168.8-95.7000111L221 L225 V254 V260 V264 V265 L330L221-Y258 HydrophobicContact CB-CE2 4.02Å; L221-Y258 WeakPolarHBondContact CB-OH 3.45Å; L221-Y258 HydrophobicContact CD1-CE2 4.27Å; L225-Y258 HydrophobicContact CD1-CD2 4.26Å; L225-Y258 HydrophobicContact CD1-CE2 3.9Å; V254-Y258 HydrophobicContact CG1-CD2 4.08Å; V254-Y258 HydrophobicContact CG1-CG 4.28Å; V254-Y258 WeakPolarHBondContact O-CB 3.48Å; V254-Y258 PolarHBondContact O-N 2.87Å; Y258-V260 HydrophobicContact CD1-CB 4.4Å; Y258-V260 VanDerWaalsContact CD1-O 3.23Å; Y258-V260 WeakPolarHBondContact CD1-O 3.08Å; Y258-V260 HydrophobicContact CE1-CB 3.87Å; Y258-V260 VanDerWaalsContact CE1-O 3.27Å; Y258-V260 WeakPolarHBondContact CE1-O 3.06Å; Y258-V260 PolarHBondContact O-N 2.99Å; Y258-V264 HydrophobicContact CD1-CB 4.02Å; Y258-V264 HydrophobicContact CD1-CG1 3.8Å; Y258-V264 HydrophobicContact CD2-CG1 4.37Å; Y258-V264 HydrophobicContact CE1-CB 3.7Å; Y258-V264 HydrophobicContact CE1-CG1 3.64Å; Y258-V264 HydrophobicContact CE1-CG2 4.01Å; Y258-V264 HydrophobicContact CE2-CG1 4.23Å; Y258-V264 HydrophobicContact CG-CG1 4.15Å; Y258-V265 HydrophobicContact CD1-CG2 4.1Å; Y258-L330 HydrophobicContact CD2-CD1 4.22Å; Y258-L330 HydrophobicContact CE2-CD1 4.23Å
259P85.5Confident88.4Confident27 Ų2727.8 Ų27.818%0.17517%0.169CC..SBendtrans-69.8-29.5-165.722.4-32.8000114.6L257 G261 V333 Q337 A462 L465L257-P259 WeakPolarHBondContact O-CD 3.34Å; P259-G261 PolarHBondContact O-N 3.5Å; P259-V333 HydrophobicContact CG-CG1 3.52Å; P259-Q337 HydrophobicContact CB-CG 3.97Å; P259-Q337 HydrophobicContact CG-CG 4.18Å; P259-A462 HydrophobicContact CB-CB 3.82Å; P259-L465 HydrophobicContact CB-CD1 3.55Å; P259-L465 HydrophobicContact CG-CD1 3.16Å
260V77.7Confident87.9Confident51 Ų5129.1 Ų29.131%0.30918%0.178SC..SBendtrans-98.290.7-175.5-175.30000108T218 Y258 L465T218-V260 HydrophobicContact CG2-CG2 3.83Å; Y258-V260 HydrophobicContact CD1-CB 4.4Å; Y258-V260 VanDerWaalsContact CD1-O 3.23Å; Y258-V260 WeakPolarHBondContact CD1-O 3.08Å; Y258-V260 HydrophobicContact CE1-CB 3.87Å; Y258-V260 VanDerWaalsContact CE1-O 3.27Å; Y258-V260 WeakPolarHBondContact CE1-O 3.06Å; Y258-V260 PolarHBondContact O-N 2.99Å; V260-L465 HydrophobicContact CG2-CB 4.23Å; V260-L465 HydrophobicContact CG2-CD1 3.58Å
261G70.4Confident87.4Confident55 Ų5529.5 Ų29.557%0.56718%0.18SC*.  trans-58.5173.2176.300000113.6P259P259-G261 PolarHBondContact O-N 3.5Å
262G79.3Confident87.1Confident51 Ų5130.1 Ų30.153%0.52618%0.184SC..SBendtrans106.6-132.2-176.300000111.4V264 K266G262-V264 PolarHBondContact O-N 3.4Å; G262-K266 WeakPolarHBondContact O-CB 3.38Å; G262-K266 PolarHBondContact O-N 2.86Å
263S80.3Confident86.7Confident19 Ų1934.8 Ų34.813%0.13321%0.208CC..Hα-helixtrans-63.6-37.8-168.647.50000114.8L267 G301 T472S263-L267 VanDerWaalsContact O-CB 3.3Å; S263-L267 WeakPolarHBondContact O-CB 3.41Å; S263-L267 PolarHBondContact O-N 3.24Å; S263-G301 WeakPolarHBondContact CA-O 3.24Å; S263-G301 WeakPolarHBondContact CB-O 3.41Å; S263-T472 WeakPolarHBondContact OG-CB 3.2Å; S263-T472 WeakPolarHBondContact OG-CG2 3.19Å
264V83.8Confident86.1Confident4 Ų437.8 Ų37.82%0.02422%0.22CC..Hα-helixtrans-67.8-53-179.8-179.40000110.3E222 L225 Y258 G262 K266 L267 M268 L304E222-V264 HydrophobicContact CG-CG2 4.05Å; L225-V264 HydrophobicContact CD1-CG1 3.45Å; L225-V264 VanDerWaalsContact CD1-CG1 3.45Å; Y258-V264 HydrophobicContact CD1-CB 4.02Å; Y258-V264 HydrophobicContact CD1-CG1 3.8Å; Y258-V264 HydrophobicContact CD2-CG1 4.37Å; Y258-V264 HydrophobicContact CE1-CB 3.7Å; Y258-V264 HydrophobicContact CE1-CG1 3.64Å; Y258-V264 HydrophobicContact CE1-CG2 4.01Å; Y258-V264 HydrophobicContact CE2-CG1 4.23Å; Y258-V264 HydrophobicContact CG-CG1 4.15Å; G262-V264 PolarHBondContact O-N 3.4Å; V264-K266 PolarHBondContact O-N 2.91Å; V264-L267 PolarHBondContact O-N 3.48Å; V264-M268 WeakPolarHBondContact O-CG 3.3Å; V264-M268 PolarHBondContact O-N 3.49Å; V264-L304 HydrophobicContact CG1-CD2 4.26Å; V264-L304 HydrophobicContact CG2-CD2 3.89Å
265V86.9Confident85.4Confident21 Ų2137.9 Ų37.913%0.12722%0.22CC..Hα-helixtrans-59.3-48.6177.5173.80000110.4Y258 L267 M268 E269Y258-V265 HydrophobicContact CD1-CG2 4.1Å; V265-L267 VanDerWaalsContact C-N 3.28Å; V265-L267 PolarHBondContact O-N 3.07Å; V265-M268 CarbonylContact O-C 3.56Å; V265-M268 PolarHBondContact O-N 3.22Å; V265-E269 HydrophobicContact CG1-CG 4.08Å; V265-E269 WeakPolarHBondContact O-CG 3.45Å; V265-E269 PolarHBondContact O-N 3.27Å
266K85.8Confident84.7Confident83 Ų8342.9 Ų42.936%0.36124%0.244SC..Hα-helixtrans-60.5-35.1179.4-172178.7172.6-168.70113.1G262 V264 T270 V302G262-K266 WeakPolarHBondContact O-CB 3.38Å; G262-K266 PolarHBondContact O-N 2.86Å; V264-K266 PolarHBondContact O-N 2.91Å; K266-T270 WeakPolarHBondContact O-CB 3.46Å; K266-T270 PolarHBondContact O-N 2.82Å; K266-T270 PolarHBondContact O-OG1 3.06Å; K266-V302 HydrophobicContact CD-CG2 3.65Å; K266-V302 VanDerWaalsContact CE-CG2 3.47Å; K266-V302 HydrophobicContact CG-CG2 3.9Å
267L84.2Confident83.9Confident7 Ų741 Ų414%0.03725%0.254CS..Hα-helixtrans-65.5-46.2172.4174.667.7000111.3S263 V264 V265 T270 L271 Y292 V302 L304S263-L267 VanDerWaalsContact O-CB 3.3Å; S263-L267 WeakPolarHBondContact O-CB 3.41Å; S263-L267 PolarHBondContact O-N 3.24Å; V264-L267 PolarHBondContact O-N 3.48Å; V265-L267 VanDerWaalsContact C-N 3.28Å; V265-L267 PolarHBondContact O-N 3.07Å; L267-T270 PolarHBondContact O-N 2.85Å; L267-L271 VanDerWaalsContact O-CB 3.24Å; L267-L271 WeakPolarHBondContact O-CB 3.38Å; L267-L271 PolarHBondContact O-N 3.42Å; L267-Y292 HydrophobicContact CD1-CD2 4.25Å; L267-Y292 HydrophobicContact CD2-CD2 4Å; L267-Y292 HydrophobicContact CD2-CE2 4.01Å; L267-V302 HydrophobicContact CB-CG1 3.84Å; L267-V302 HydrophobicContact CD1-CG1 3.77Å; L267-V302 HydrophobicContact CG-CG1 4.43Å; L267-L304 HydrophobicContact CD2-CB 4.44Å; L267-L304 HydrophobicContact CD2-CD1 3.56Å; L267-L304 HydrophobicContact CD2-CG 3.64Å
268M88.8Confident82.7Confident0 Ų042.6 Ų42.60%026%0.262CS..Hα-helixtrans-69.7-36-179-62.9-62.9174.700112.3L225 L229 V251 V254 A255 V264 V265 L271 S272 L304L225-M268 HydrophobicContact CB-CE 4.14Å; L225-M268 HydrophobicContact CD1-CE 4.01Å; L225-M268 HydrophobicContact CD2-CE 3.91Å; L225-M268 HydrophobicContact CG-CE 4.24Å; L229-M268 HydrophobicContact CD1-CE 4.08Å; V251-M268 HydrophobicContact CG1-CB 4.41Å; V251-M268 VanDerWaalsContact CG1-O 3.31Å; V251-M268 WeakPolarHBondContact CG1-O 3.49Å; V251-M268 HydrophobicContact CG1-SD 4.28Å; V254-M268 HydrophobicContact CB-CG 4.27Å; V254-M268 HydrophobicContact CG1-CE 4.36Å; V254-M268 HydrophobicContact CG1-CG 3.84Å; V254-M268 HydrophobicContact CG1-SD 4.47Å; A255-M268 HydrophobicContact CB-CB 3.78Å; V264-M268 WeakPolarHBondContact O-CG 3.3Å; V264-M268 PolarHBondContact O-N 3.49Å; V265-M268 CarbonylContact O-C 3.56Å; V265-M268 PolarHBondContact O-N 3.22Å; M268-L271 HydrophobicContact SD-CD2 4.46Å; M268-S272 WeakPolarHBondContact O-CB 3.49Å; M268-S272 PolarHBondContact O-N 2.04Å; M268-L304 HydrophobicContact CE-CD1 4.25Å
269E88.1Confident81.3Confident98 Ų9848 Ų4846%0.45830%0.299SS..Hα-helixtrans-61.1-51.7169.5-71175143.100111A255 V265 L271 S272 D273A255-E269 HydrophobicContact CB-CG 4.3Å; V265-E269 HydrophobicContact CG1-CG 4.08Å; V265-E269 WeakPolarHBondContact O-CG 3.45Å; V265-E269 PolarHBondContact O-N 3.27Å; E269-L271 VanDerWaalsContact C-N 3.28Å; E269-L271 PolarHBondContact O-N 2.81Å; E269-S272 WeakPolarHBondContact O-CB 3.31Å; E269-S272 PolarHBondContact O-N 3.18Å; E269-S272 VanDerWaalsContact O-N 3.11Å; E269-D273 PolarHBondContact O-N 3.28Å
270T85.7Confident80Confident43 Ų4350.6 Ų50.626%0.26431%0.314SS..Hα-helixtrans-60-39.7179.1-53.70000111.6K266 L267 W274 T295K266-T270 WeakPolarHBondContact O-CB 3.46Å; K266-T270 PolarHBondContact O-N 2.82Å; K266-T270 PolarHBondContact O-OG1 3.06Å; L267-T270 PolarHBondContact O-N 2.85Å; T270-W274 WeakPolarHBondContact O-CB 3.43Å; T270-W274 PolarHBondContact O-N 2.75Å; T270-W274 VanDerWaalsContact O-N 3.11Å; T270-T295 HydrophobicContact CG2-CG2 3.98Å
271L84.6Confident79.4Confident10 Ų1056.1 Ų56.15%0.05234%0.336CS..Hα-helixtrans-69.8-38.9176.6-177.261000111.7L229 F247 V251 L267 M268 E269 W274 L275 I288L229-L271 HydrophobicContact CD2-CD2 4.36Å; F247-L271 HydrophobicContact CE1-CD2 4.4Å; F247-L271 HydrophobicContact CZ-CD2 3.95Å; V251-L271 HydrophobicContact CG1-CB 4.05Å; V251-L271 HydrophobicContact CG1-CD2 4.01Å; V251-L271 HydrophobicContact CG1-CG 3.96Å; V251-L271 HydrophobicContact CG2-CD2 3.7Å; V251-L271 HydrophobicContact CG2-CG 4.25Å; L267-L271 VanDerWaalsContact O-CB 3.24Å; L267-L271 WeakPolarHBondContact O-CB 3.38Å; L267-L271 PolarHBondContact O-N 3.42Å; M268-L271 HydrophobicContact SD-CD2 4.46Å; E269-L271 VanDerWaalsContact C-N 3.28Å; E269-L271 PolarHBondContact O-N 2.81Å; L271-W274 HydrophobicContact CD1-CE3 4.18Å; L271-L275 HydrophobicContact CD1-CD1 4.31Å; L271-L275 HydrophobicContact CD1-CG 4.32Å; L271-L275 HydrophobicContact CG-CD1 4.01Å; L271-L275 HydrophobicContact CG-CG 4.46Å; L271-L275 VanDerWaalsContact O-CB 3.27Å; L271-L275 WeakPolarHBondContact O-CB 3.49Å; L271-L275 WeakPolarHBondContact O-CG 3.43Å; L271-L275 PolarHBondContact O-N 3.03Å; L271-I288 HydrophobicContact CD1-CG2 4.48Å
272S87.1Confident78.9Confident14 Ų1457.3 Ų57.310%0.09833%0.329CS..Hα-helixtrans-63.1-52.2175.3-172.30000111.4M268 E269 W274 L275 L276M268-S272 WeakPolarHBondContact O-CB 3.49Å; M268-S272 PolarHBondContact O-N 2.04Å; E269-S272 WeakPolarHBondContact O-CB 3.31Å; E269-S272 PolarHBondContact O-N 3.18Å; E269-S272 VanDerWaalsContact O-N 3.11Å; S272-W274 VanDerWaalsContact C-N 3.28Å; S272-W274 PolarHBondContact O-N 3.28Å; S272-L275 PolarHBondContact O-N 3.03Å; S272-L275 VanDerWaalsContact O-N 3.1Å; S272-L276 WeakPolarHBondContact O-CB 3.44Å; S272-L276 VanDerWaalsContact O-CG 3.29Å; S272-L276 WeakPolarHBondContact O-CG 3.3Å; S272-L276 PolarHBondContact O-N 3.09Å
273D84.8Confident78.4Confident116 Ų11655 Ų5562%0.6231%0.305SS*.Hα-helixtrans-56.6-43.4177.6-76.8-12.8000111.4E269 L276 G277E269-D273 PolarHBondContact O-N 3.28Å; D273-L276 PolarHBondContact O-N 2.82Å; D273-G277 PolarHBondContact O-N 2.8Å
274W82.1Confident77.6Confident64 Ų6459.2 Ų59.224%0.24233%0.326CS..Hα-helixtrans-63.8-48.3174.9179.178.3000112.2T270 L271 S272 L276 G277 L278 V283 L287 I288 I291T270-W274 WeakPolarHBondContact O-CB 3.43Å; T270-W274 PolarHBondContact O-N 2.75Å; T270-W274 VanDerWaalsContact O-N 3.11Å; L271-W274 HydrophobicContact CD1-CE3 4.18Å; S272-W274 VanDerWaalsContact C-N 3.28Å; S272-W274 PolarHBondContact O-N 3.28Å; W274-L276 VanDerWaalsContact C-N 3.27Å; W274-L276 PolarHBondContact O-N 3.08Å; W274-G277 PolarHBondContact O-N 3.1Å; W274-G277 VanDerWaalsContact O-N 3.17Å; W274-L278 HydrophobicContact CD2-CD1 4.41Å; W274-L278 HydrophobicContact CD2-CG 4.46Å; W274-L278 HydrophobicContact CE3-CD1 4.16Å; W274-L278 HydrophobicContact CH2-CD1 3.73Å; W274-L278 HydrophobicContact CH2-CD2 4.3Å; W274-L278 HydrophobicContact CH2-CG 4.41Å; W274-L278 HydrophobicContact CZ2-CD1 3.94Å; W274-L278 HydrophobicContact CZ2-CD2 3.7Å; W274-L278 HydrophobicContact CZ2-CG 4.12Å; W274-L278 HydrophobicContact CZ3-CD1 3.82Å; W274-L278 WeakPolarHBondContact O-CG 3.24Å; W274-L278 PolarHBondContact O-N 3.37Å; W274-V283 HydrophobicContact CH2-CG1 3.73Å; W274-V283 HydrophobicContact CZ3-CG1 4.25Å; W274-L287 HydrophobicContact CH2-CD2 4.07Å; W274-L287 HydrophobicContact CH2-CG 4.02Å; W274-L287 HydrophobicContact CZ2-CD2 3.64Å; W274-L287 HydrophobicContact CZ2-CG 3.74Å; W274-I288 HydrophobicContact CH2-CG1 4.14Å; W274-I288 HydrophobicContact CZ3-CG1 3.87Å; W274-I291 HydrophobicContact CD2-CD1 3.39Å; W274-I291 HydrophobicContact CE3-CD1 3.86Å; W274-I291 HydrophobicContact CG-CD1 3.92Å; W274-I291 HydrophobicContact CH2-CD1 3.7Å; W274-I291 HydrophobicContact CZ2-CD1 3.24Å; W274-I291 HydrophobicContact CZ3-CD1 4Å
275L82.3Confident76.7Confident2 Ų259.1 Ų59.11%0.0133%0.325CS..Hα-helixtrans-61.1-33.8178.8-78.5171.1000112.7L244 F247 K248 V251 L271 S272 L278L244-L275 HydrophobicContact CD1-CD2 4.07Å; F247-L275 HydrophobicContact CD1-CD1 3.9Å; F247-L275 HydrophobicContact CD1-CD2 4.22Å; F247-L275 HydrophobicContact CE1-CD1 3.82Å; F247-L275 HydrophobicContact CE1-CD2 4.29Å; K248-L275 WeakPolarHBondContact CE-O 3.22Å; K248-L275 HydrophobicContact CG-CB 4.05Å; K248-L275 HydrophobicContact CG-CD1 4.16Å; K248-L275 HydrophobicContact CG-CD2 4.44Å; K248-L275 HydrophobicContact CG-CG 4.46Å; K248-L275 PolarHBondContact NZ-O 3.43Å; V251-L275 HydrophobicContact CB-CD1 4.23Å; V251-L275 HydrophobicContact CG1-CD1 4.35Å; V251-L275 HydrophobicContact CG2-CD1 4.1Å; L271-L275 HydrophobicContact CD1-CD1 4.31Å; L271-L275 HydrophobicContact CD1-CG 4.32Å; L271-L275 HydrophobicContact CG-CD1 4.01Å; L271-L275 HydrophobicContact CG-CG 4.46Å; L271-L275 VanDerWaalsContact O-CB 3.27Å; L271-L275 WeakPolarHBondContact O-CB 3.49Å; L271-L275 WeakPolarHBondContact O-CG 3.43Å; L271-L275 PolarHBondContact O-N 3.03Å; S272-L275 PolarHBondContact O-N 3.03Å; S272-L275 VanDerWaalsContact O-N 3.1Å; L275-L278 HydrophobicContact CD2-CD1 4.29Å
276L78.9Confident75.4Confident118 Ų11860.1 Ų60.162%0.61834%0.339SS*.Hα-helixtrans-76.4-33.9176-69.2171.9000112.3S272 D273 W274 L278S272-L276 WeakPolarHBondContact O-CB 3.44Å; S272-L276 VanDerWaalsContact O-CG 3.29Å; S272-L276 WeakPolarHBondContact O-CG 3.3Å; S272-L276 PolarHBondContact O-N 3.09Å; D273-L276 PolarHBondContact O-N 2.82Å; W274-L276 VanDerWaalsContact C-N 3.27Å; W274-L276 PolarHBondContact O-N 3.08Å; L276-L278 VanDerWaalsContact C-N 3.29Å; L276-L278 PolarHBondContact O-N 3.24Å
277G76.4Confident74.3Confident62 Ų6259.8 Ų59.864%0.63934%0.341SS*.Hα-helixtrans-75.3-8.3177.700000115.5D273 W274D273-G277 PolarHBondContact O-N 2.8Å; W274-G277 PolarHBondContact O-N 3.1Å; W274-G277 VanDerWaalsContact O-N 3.17Å
278L71.1Confident73.4Confident38 Ų3859.7 Ų59.720%0.19934%0.34CS..  trans-70.4126.3-178.1-79.9170.9000113W274 L275 L276 V280 V283W274-L278 HydrophobicContact CD2-CD1 4.41Å; W274-L278 HydrophobicContact CD2-CG 4.46Å; W274-L278 HydrophobicContact CE3-CD1 4.16Å; W274-L278 HydrophobicContact CH2-CD1 3.73Å; W274-L278 HydrophobicContact CH2-CD2 4.3Å; W274-L278 HydrophobicContact CH2-CG 4.41Å; W274-L278 HydrophobicContact CZ2-CD1 3.94Å; W274-L278 HydrophobicContact CZ2-CD2 3.7Å; W274-L278 HydrophobicContact CZ2-CG 4.12Å; W274-L278 HydrophobicContact CZ3-CD1 3.82Å; W274-L278 WeakPolarHBondContact O-CG 3.24Å; W274-L278 PolarHBondContact O-N 3.37Å; L275-L278 HydrophobicContact CD2-CD1 4.29Å; L276-L278 VanDerWaalsContact C-N 3.29Å; L276-L278 PolarHBondContact O-N 3.24Å; L278-V280 PolarHBondContact O-N 2.87Å; L278-V283 HydrophobicContact CD1-CG2 3.48Å; L278-V283 VanDerWaalsContact CD1-CG2 3.48Å
279P63.3Low72.3Confident126 Ų12661 Ų6182%0.81835%0.347SS*.  trans-83.613.5177.735.3-36.3000113.8
280V59Low71.1Confident81 Ų8161.3 Ų61.349%0.49135%0.348SS..  trans-131.9139.8-169.3-158.40000110.6L278 L282L278-V280 PolarHBondContact O-N 2.87Å; V280-L282 HydrophobicContact CG1-CB 4.31Å; V280-L282 PolarHBondContact O-N 3.47Å
281E65.4Low70.1Confident167 Ų16760.4 Ų60.478%0.7834%0.341SS*.SBendtrans-78.5-3.2177.2-61.6-17816600113.9E240 G241 L244E240-E281 VanDerWaalsContact CA-O 3.31Å; E240-E281 WeakPolarHBondContact CA-O 3.34Å; G241-E281 PolarHBondContact N-O 3.12Å; L244-E281 WeakPolarHBondContact CD2-O 3.31Å
282L60.1Low69.1Low79 Ų7960.6 Ų60.641%0.41434%0.341SS..EExtended strand (participates in β ladder)trans-127.8131.7-175.6169.668.6000109.6T238 E240 V280T238-L282 HydrophobicContact CG2-CD1 3.97Å; E240-L282 HydrophobicContact CB-CB 4.29Å; E240-L282 HydrophobicContact CB-CD1 3.82Å; E240-L282 HydrophobicContact CG-CD1 4.33Å; V280-L282 HydrophobicContact CG1-CB 4.31Å; V280-L282 PolarHBondContact O-N 3.47Å
283V67.9Low67.9Low3 Ų365.7 Ų65.72%0.01836%0.362CS..EExtended strand (participates in β ladder)trans-124.7121.9175.6-176.50000109.9L239 L244 W274 L278 L285 I288L239-V283 PolarHBondContact N-O 2.99Å; L239-V283 PolarHBondContact O-N 3.23Å; L244-V283 HydrophobicContact CD1-CB 4.26Å; L244-V283 HydrophobicContact CD1-CG2 3.69Å; L244-V283 HydrophobicContact CD2-CG2 3.88Å; L244-V283 HydrophobicContact CG-CG2 4.45Å; W274-V283 HydrophobicContact CH2-CG1 3.73Å; W274-V283 HydrophobicContact CZ3-CG1 4.25Å; L278-V283 HydrophobicContact CD1-CG2 3.48Å; L278-V283 VanDerWaalsContact CD1-CG2 3.48Å; V283-L285 PolarHBondContact O-N 2.95Å; V283-I288 HydrophobicContact CG1-CD1 3.71Å; V283-I288 HydrophobicContact CG1-CG1 3.69Å
284L63.5Low66.5Low108 Ų10862.2 Ų62.257%0.56534%0.343SS*.EExtended strand (participates in β ladder)trans-68.7123.1167.9-176.666.8000108.8T238 G286 L287T238-L284 HydrophobicContact CG2-CD1 3.97Å; L284-G286 PolarHBondContact O-N 2.88Å; L284-G286 VanDerWaalsContact O-N 3.11Å; L284-L287 VanDerWaalsContact O-CB 3.23Å; L284-L287 WeakPolarHBondContact O-CB 3.28Å; L284-L287 PolarHBondContact O-N 3.44Å
285L64.6Low65.3Low2 Ų260.1 Ų60.11%0.0134%0.337CS..Hα-helixtrans-51.6-37.6178.9172.477.7000112.7L233 A234 H236 V283 L287 I288 M289L233-L285 HydrophobicContact CD2-CD1 4.06Å; L233-L285 HydrophobicContact CG-CD1 3.96Å; L233-L285 WeakPolarHBondContact O-CD1 3.4Å; A234-L285 VanDerWaalsContact CA-CD2 3.42Å; A234-L285 HydrophobicContact CB-CD2 4.06Å; A234-L285 VanDerWaalsContact O-CD2 3.24Å; A234-L285 WeakPolarHBondContact O-CD2 3.04Å; H236-L285 WeakPolarHBondContact O-CB 3.17Å; H236-L285 VanDerWaalsContact O-CD2 3.29Å; H236-L285 WeakPolarHBondContact O-CD2 3.21Å; V283-L285 PolarHBondContact O-N 2.95Å; L285-L287 PolarHBondContact O-N 3.46Å; L285-L287 VanDerWaalsContact O-N 3.11Å; L285-I288 WeakPolarHBondContact O-CB 3.38Å; L285-I288 PolarHBondContact O-N 3.48Å; L285-M289 HydrophobicContact CG-CG 4.4Å; L285-M289 PolarHBondContact O-N 3.47Å
286G59.8Low63.9Low41 Ų4161.2 Ų61.242%0.42335%0.349SS..Hα-helixtrans-55-27.9176.200000113.7L284 H290L284-G286 PolarHBondContact O-N 2.88Å; L284-G286 VanDerWaalsContact O-N 3.11Å; G286-H290 WeakPolarHBondContact O-CB 3.29Å; G286-H290 PolarHBondContact O-N 3.06Å
287L62.8Low62.6Low77 Ų7765.8 Ų65.840%0.40336%0.358SS..Hα-helixtrans-76.2-39.1175.6-170.358.8000112.2W274 L284 L285 H290 I291W274-L287 HydrophobicContact CH2-CD2 4.07Å; W274-L287 HydrophobicContact CH2-CG 4.02Å; W274-L287 HydrophobicContact CZ2-CD2 3.64Å; W274-L287 HydrophobicContact CZ2-CG 3.74Å; L284-L287 VanDerWaalsContact O-CB 3.23Å; L284-L287 WeakPolarHBondContact O-CB 3.28Å; L284-L287 PolarHBondContact O-N 3.44Å; L285-L287 PolarHBondContact O-N 3.46Å; L285-L287 VanDerWaalsContact O-N 3.11Å; L287-H290 WeakPolarHBondContact O-CB 3.45Å; L287-H290 PolarHBondContact O-N 3.16Å; L287-I291 HydrophobicContact CG-CD1 4.32Å; L287-I291 WeakPolarHBondContact O-CD1 3.47Å; L287-I291 VanDerWaalsContact O-CG1 3.31Å; L287-I291 WeakPolarHBondContact O-CG1 3.38Å; L287-I291 PolarHBondContact O-N 2.9Å
288I66Low61.3Low4 Ų470.2 Ų70.22%0.02136%0.362CS..Hα-helixtrans-62.6-46.8172.6-64.2167.4000109.8L233 L239 F247 L271 W274 V283 L285 H290 I291 Y292L233-I288 HydrophobicContact CD2-CD1 4.35Å; L233-I288 HydrophobicContact CD2-CG2 4.13Å; L239-I288 HydrophobicContact CD1-CD1 3.5Å; L239-I288 VanDerWaalsContact CD1-CD1 3.5Å; F247-I288 HydrophobicContact CD1-CD1 4.32Å; F247-I288 HydrophobicContact CE1-CD1 3.91Å; F247-I288 HydrophobicContact CE1-CG2 4.31Å; F247-I288 HydrophobicContact CZ-CG2 4.34Å; L271-I288 HydrophobicContact CD1-CG2 4.48Å; W274-I288 HydrophobicContact CH2-CG1 4.14Å; W274-I288 HydrophobicContact CZ3-CG1 3.87Å; V283-I288 HydrophobicContact CG1-CD1 3.71Å; V283-I288 HydrophobicContact CG1-CG1 3.69Å; L285-I288 WeakPolarHBondContact O-CB 3.38Å; L285-I288 PolarHBondContact O-N 3.48Å; I288-H290 VanDerWaalsContact C-N 3.32Å; I288-H290 PolarHBondContact O-N 3.38Å; I288-I291 PolarHBondContact O-N 2.65Å; I288-Y292 WeakPolarHBondContact O-CB 3.29Å; I288-Y292 PolarHBondContact O-N 3.07Å
289M64.9Low60.3Low27 Ų2771.6 Ų71.613%0.13337%0.369CS..Hα-helixtrans-66-33.6177.1-71.8-62.7-7900112.6R230 L285 K293R230-M289 HydrophobicContact CB-CE 4.36Å; R230-M289 HydrophobicContact CG-CE 4.07Å; L285-M289 HydrophobicContact CG-CG 4.4Å; L285-M289 PolarHBondContact O-N 3.47Å; M289-K293 VanDerWaalsContact O-CB 3.28Å; M289-K293 WeakPolarHBondContact O-CB 3.39Å; M289-K293 VanDerWaalsContact O-CG 3.29Å; M289-K293 WeakPolarHBondContact O-CG 3.4Å; M289-K293 PolarHBondContact O-N 3.19Å
290H63.4Low59.5Low106 Ų10671.1 Ų71.149%0.49137%0.369SS..Hα-helixtrans-65-45172.9-176.796.5000111.4G286 L287 I288 K293 N294G286-H290 WeakPolarHBondContact O-CB 3.29Å; G286-H290 PolarHBondContact O-N 3.06Å; L287-H290 WeakPolarHBondContact O-CB 3.45Å; L287-H290 PolarHBondContact O-N 3.16Å; I288-H290 VanDerWaalsContact C-N 3.32Å; I288-H290 PolarHBondContact O-N 3.38Å; H290-K293 PolarHBondContact O-N 2.85Å; H290-N294 PolarHBondContact CE1-ND2 3.31Å; H290-N294 PolarHBondContact NE2-ND2 3.34Å; H290-N294 WeakPolarHBondContact O-CB 3.43Å; H290-N294 PolarHBondContact O-N 2.98Å
291I64.6Low59.1Low24 Ų2469.7 Ų69.712%0.12337%0.37CS..Hα-helixtrans-64.7-49.9177.3-71.1163.4000110.4W274 L287 I288 K293 N294 T295W274-I291 HydrophobicContact CD2-CD1 3.39Å; W274-I291 HydrophobicContact CE3-CD1 3.86Å; W274-I291 HydrophobicContact CG-CD1 3.92Å; W274-I291 HydrophobicContact CH2-CD1 3.7Å; W274-I291 HydrophobicContact CZ2-CD1 3.24Å; W274-I291 HydrophobicContact CZ3-CD1 4Å; L287-I291 HydrophobicContact CG-CD1 4.32Å; L287-I291 WeakPolarHBondContact O-CD1 3.47Å; L287-I291 VanDerWaalsContact O-CG1 3.31Å; L287-I291 WeakPolarHBondContact O-CG1 3.38Å; L287-I291 PolarHBondContact O-N 2.9Å; I288-I291 PolarHBondContact O-N 2.65Å; I291-K293 VanDerWaalsContact C-N 3.31Å; I291-K293 PolarHBondContact O-N 3.48Å; I291-N294 PolarHBondContact O-N 3.4Å; I291-T295 WeakPolarHBondContact O-CB 3.14Å; I291-T295 PolarHBondContact O-N 3.2Å; I291-T295 PolarHBondContact O-OG1 2.87Å
292Y62.3Low58.7Low13 Ų1361.7 Ų61.75%0.05133%0.333CS..Hα-helixtrans-54.9-45.1175.1169.3-98.6000112.5R230 L267 I288 L304R230-Y292 HydrophobicContact CG-CE1 4.45Å; R230-Y292 PolarHBondContact NE-OH 2.84Å; R230-Y292 PolarHBondContact NH2-OH 3.17Å; L267-Y292 HydrophobicContact CD1-CD2 4.25Å; L267-Y292 HydrophobicContact CD2-CD2 4Å; L267-Y292 HydrophobicContact CD2-CE2 4.01Å; I288-Y292 WeakPolarHBondContact O-CB 3.29Å; I288-Y292 PolarHBondContact O-N 3.07Å; Y292-L304 HydrophobicContact CE2-CB 4.08Å; Y292-L304 HydrophobicContact CE2-CD1 4.27Å; Y292-L304 PolarHBondContact OH-O 2.78Å
293K62.3Low58.9Low121 Ų12161.5 Ų61.553%0.52633%0.329SS..Hα-helixtrans-72-34.7179.1-74.4-179.9176.7-179.10113.8M289 H290 I291M289-K293 VanDerWaalsContact O-CB 3.28Å; M289-K293 WeakPolarHBondContact O-CB 3.39Å; M289-K293 VanDerWaalsContact O-CG 3.29Å; M289-K293 WeakPolarHBondContact O-CG 3.4Å; M289-K293 PolarHBondContact O-N 3.19Å; H290-K293 PolarHBondContact O-N 2.85Å; I291-K293 VanDerWaalsContact C-N 3.31Å; I291-K293 PolarHBondContact O-N 3.48Å
294N56.2Low58.9Low43 Ų4361.3 Ų61.323%0.2333%0.328CS..Hα-helixtrans-93.5-39.9-174-71.3-1.4000113.1H290 I291 G296 R297 E298H290-N294 PolarHBondContact CE1-ND2 3.31Å; H290-N294 PolarHBondContact NE2-ND2 3.34Å; H290-N294 WeakPolarHBondContact O-CB 3.43Å; H290-N294 PolarHBondContact O-N 2.98Å; I291-N294 PolarHBondContact O-N 3.4Å; N294-G296 PolarHBondContact O-N 3.25Å; N294-R297 CarbonylContact O-C 3.37Å; N294-R297 WeakPolarHBondContact O-CA 3.24Å; N294-R297 WeakPolarHBondContact O-CB 3.09Å; N294-R297 PolarHBondContact O-N 2.83Å; N294-E298 WeakPolarHBondContact O-CB 3.43Å; N294-E298 WeakPolarHBondContact O-CG 3.08Å; N294-E298 PolarHBondContact O-N 2.79Å
295T56.1Low58.9Low20 Ų2056.3 Ų56.312%0.12330%0.303CS..Hα-helixtrans-59.5-36.1174-57.10000111.3T270 I291 R297 I299 V302T270-T295 HydrophobicContact CG2-CG2 3.98Å; I291-T295 WeakPolarHBondContact O-CB 3.14Å; I291-T295 PolarHBondContact O-N 3.2Å; I291-T295 PolarHBondContact O-OG1 2.87Å; T295-R297 VanDerWaalsContact C-N 3.3Å; T295-R297 PolarHBondContact O-N 3.3Å; T295-I299 HydrophobicContact CG2-CD1 3.83Å; T295-I299 HydrophobicContact CG2-CG1 4.21Å; T295-I299 WeakPolarHBondContact O-CA 3.27Å; T295-I299 WeakPolarHBondContact O-CB 3.44Å; T295-I299 PolarHBondContact O-N 3.07Å; T295-V302 HydrophobicContact CG2-CB 4.23Å; T295-V302 HydrophobicContact CG2-CG1 3.73Å
296G53.1Low59Low25 Ų2558.5 Ų58.526%0.25832%0.321SS..Hα-helixtrans-73.7-15172.400000115.6N294 V302N294-G296 PolarHBondContact O-N 3.25Å; G296-V302 WeakPolarHBondContact CA-O 3.48Å
297R51.9Low59.5Low215 Ų21561.7 Ų61.781%0.81133%0.325SS*.Hα-helixtrans-90.7-36.7172.5-104.8179.4165.7178.6-4112.7N294 T295N294-R297 CarbonylContact O-C 3.37Å; N294-R297 WeakPolarHBondContact O-CA 3.24Å; N294-R297 WeakPolarHBondContact O-CB 3.09Å; N294-R297 PolarHBondContact O-N 2.83Å; T295-R297 VanDerWaalsContact C-N 3.3Å; T295-R297 PolarHBondContact O-N 3.3Å
298E48.4Very low60.5Low154 Ų15460.1 Ų60.172%0.7232%0.317SS*.Hα-helixtrans-88.7-33.3-176.4-68.1174.1-17500112.3N294N294-E298 WeakPolarHBondContact O-CB 3.43Å; N294-E298 WeakPolarHBondContact O-CG 3.08Å; N294-E298 PolarHBondContact O-N 2.79Å
299I51.7Low61.6Low67 Ų6762.5 Ų62.534%0.34433%0.325SS..SBendtrans-112.4102.9179.7-45.8-175.1000109.8T295 G301 V302T295-I299 HydrophobicContact CG2-CD1 3.83Å; T295-I299 HydrophobicContact CG2-CG1 4.21Å; T295-I299 WeakPolarHBondContact O-CA 3.27Å; T295-I299 WeakPolarHBondContact O-CB 3.44Å; T295-I299 PolarHBondContact O-N 3.07Å; I299-G301 PolarHBondContact O-N 3.49Å; I299-V302 HydrophobicContact CB-CB 4.27Å; I299-V302 HydrophobicContact CB-CG2 3.78Å; I299-V302 HydrophobicContact CG2-CB 4.5Å; I299-V302 HydrophobicContact CG2-CG2 3.51Å; I299-V302 PolarHBondContact O-N 2.91Å; I299-V302 VanDerWaalsContact O-N 3.15Å
300S45.1Very low62.8Low117 Ų11763.2 Ų63.282%0.81833%0.327SS*.THydrogen-bonded Turntrans-51.3124.6172.5-75.10000111.4
301G51Low64.2Low50 Ų5058.2 Ų58.252%0.51530%0.303SS..THydrogen-bonded Turntrans8519.618000000115.8S263 I299S263-G301 WeakPolarHBondContact CA-O 3.24Å; S263-G301 WeakPolarHBondContact CB-O 3.41Å; I299-G301 PolarHBondContact O-N 3.49Å
302V58.1Low65.6Low0 Ų057.7 Ų57.70%030%0.304CS..  trans-114.271171.5-172.60000110K266 L267 T295 G296 I299K266-V302 HydrophobicContact CD-CG2 3.65Å; K266-V302 VanDerWaalsContact CE-CG2 3.47Å; K266-V302 HydrophobicContact CG-CG2 3.9Å; L267-V302 HydrophobicContact CB-CG1 3.84Å; L267-V302 HydrophobicContact CD1-CG1 3.77Å; L267-V302 HydrophobicContact CG-CG1 4.43Å; T295-V302 HydrophobicContact CG2-CB 4.23Å; T295-V302 HydrophobicContact CG2-CG1 3.73Å; G296-V302 WeakPolarHBondContact CA-O 3.48Å; I299-V302 HydrophobicContact CB-CB 4.27Å; I299-V302 HydrophobicContact CB-CG2 3.78Å; I299-V302 HydrophobicContact CG2-CB 4.5Å; I299-V302 HydrophobicContact CG2-CG2 3.51Å; I299-V302 PolarHBondContact O-N 2.91Å; I299-V302 VanDerWaalsContact O-N 3.15Å
303F62.5Low67.1Low74 Ų7457.2 Ų57.233%0.32530%0.302SS..  trans-147.1139.4-171.5-171.5-118.3000111.8A306 T472F303-A306 HydrophobicContact CE1-CB 4.19Å; F303-A306 HydrophobicContact CZ-CB 3.83Å; F303-T472 VanDerWaalsContact O-CG2 3.24Å; F303-T472 WeakPolarHBondContact O-CG2 3.41Å
304L69.4Low68.5Low0 Ų052 Ų520%028%0.28CS..  trans-96.1141157-73.7161.3000107.5E222 L225 L229 V264 L267 M268 Y292E222-L304 HydrophobicContact CB-CD2 4.35Å; L225-L304 HydrophobicContact CB-CD1 3.84Å; L225-L304 HydrophobicContact CB-CD2 3.96Å; L225-L304 HydrophobicContact CD1-CD2 4.29Å; L229-L304 HydrophobicContact CD1-CD1 3.66Å; V264-L304 HydrophobicContact CG1-CD2 4.26Å; V264-L304 HydrophobicContact CG2-CD2 3.89Å; L267-L304 HydrophobicContact CD2-CB 4.44Å; L267-L304 HydrophobicContact CD2-CD1 3.56Å; L267-L304 HydrophobicContact CD2-CG 3.64Å; M268-L304 HydrophobicContact CE-CD1 4.25Å; Y292-L304 HydrophobicContact CE2-CB 4.08Å; Y292-L304 HydrophobicContact CE2-CD1 4.27Å; Y292-L304 PolarHBondContact OH-O 2.78Å
305G63.9Low70Confident3 Ų350.8 Ų50.83%0.03128%0.277CS..  trans-42.1146.5-174.500000115H226 E307H226-G305 PolarHBondContact CE1-O 3.43Å; H226-G305 PolarHBondContact ND1-O 2.03Å; G305-E307 PolarHBondContact O-N 2.96Å
306A64.9Low71.3Confident48 Ų4852 Ų5240%0.39729%0.286SS..SBendtrans-65.4-21.1-173.200000114.1H226 R230 F303H226-A306 PolarHBondContact CE1-O 3Å; R230-A306 PolarHBondContact NH1-O 3.24Å; R230-A306 VanDerWaalsContact NH1-O 3.09Å; F303-A306 HydrophobicContact CE1-CB 4.19Å; F303-A306 HydrophobicContact CZ-CB 3.83Å
307E71.6Confident72.6Confident108 Ų10859.3 Ų59.351%0.50531%0.306SS..SBendtrans-133.7154.2-167.3-62.8159-173.300109.8G305 R309G305-E307 PolarHBondContact O-N 2.96Å; E307-R309 IonicContact OE2-CZ 2.73Å; E307-R309 IonicContact OE2-NH2 2.74Å; E307-R309 PolarHBondContact OE2-NH2 3.19Å
308L83.3Confident73.8Confident44 Ų4453.8 Ų53.823%0.2329%0.292CS..  trans-72.4132.4166.8-61.6172.2000110.4H226 Y227 W310H226-L308 HydrophobicContact CB-CD2 4.44Å; H226-L308 VanDerWaalsContact CD2-CD2 3.46Å; H226-L308 WeakPolarHBondContact CD2-CD2 3.03Å; Y227-L308 HydrophobicContact CD2-CD1 3.75Å; Y227-L308 HydrophobicContact CD2-CD2 3.96Å; Y227-L308 HydrophobicContact CE2-CD1 4.28Å; Y227-L308 HydrophobicContact CG-CD2 4.42Å; L308-W310 HydrophobicContact CB-CZ2 4.43Å; L308-W310 HydrophobicContact CD1-CZ2 4.47Å; L308-W310 HydrophobicContact CD2-CH2 4.4Å; L308-W310 HydrophobicContact CD2-CZ2 4.04Å
309R88.1Confident75.2Confident53 Ų5350.3 Ų50.320%0.230%0.298CS..  trans-139.883.7-177.7-167.6164-66.6172.12.7112.5A219 S223 E307 Y469A219-R309 CarbonylContact C-O 3.51Å; S223-R309 PolarHBondContact OG-N 3.12Å; S223-R309 PolarHBondContact OG-O 3.44Å; E307-R309 IonicContact OE2-CZ 2.73Å; E307-R309 IonicContact OE2-NH2 2.74Å; E307-R309 PolarHBondContact OE2-NH2 3.19Å; R309-Y469 VanDerWaalsContact CD-O 3.31Å; R309-Y469 WeakPolarHBondContact CD-O 3.46Å
310W91.1Very high76.7Confident43 Ų4348.6 Ų48.616%0.16329%0.289CS..  trans-73.5136173.5-47121.3000111.3R209 D220 Y227 L308 C313 Q314 Y323 S326R209-W310 PolarHBondContact NH1-O 3.15Å; D220-W310 WeakPolarHBondContact OD1-CA 3.29Å; Y227-W310 HydrophobicContact CD2-CZ2 4.45Å; L308-W310 HydrophobicContact CB-CZ2 4.43Å; L308-W310 HydrophobicContact CD1-CZ2 4.47Å; L308-W310 HydrophobicContact CD2-CH2 4.4Å; L308-W310 HydrophobicContact CD2-CZ2 4.04Å; W310-C313 HydrophobicContact CE3-CB 4.4Å; W310-Q314 HydrophobicContact CB-CB 4.12Å; W310-Y323 HydrophobicContact CH2-CD2 4.34Å; W310-S326 WeakPolarHBondContact CZ3-OG 3.18Å
311V93.4Very high78.9Confident0 Ų045.4 Ų45.40%026%0.259CS..SBendtrans-127.6-83.7176.6-176.70000108.3R209 F211 Y217 A219 D220 C313 Q314 Y469R209-V311 HydrophobicContact CB-CG1 4.48Å; F211-V311 HydrophobicContact CB-CG1 3.84Å; F211-V311 WeakPolarHBondContact CD1-O 3.31Å; Y217-V311 HydrophobicContact CD1-CB 4.49Å; Y217-V311 HydrophobicContact CD1-CG1 3.85Å; Y217-V311 HydrophobicContact CD2-CB 4.45Å; Y217-V311 HydrophobicContact CD2-CG1 3.98Å; Y217-V311 HydrophobicContact CE1-CG1 4.12Å; Y217-V311 HydrophobicContact CE2-CG1 4.27Å; Y217-V311 HydrophobicContact CG-CB 4.11Å; Y217-V311 HydrophobicContact CG-CG1 3.79Å; A219-V311 HydrophobicContact CB-CG2 3.96Å; D220-V311 PolarHBondContact OD1-N 3.29Å; V311-C313 PolarHBondContact O-N 2.97Å; V311-Q314 WeakPolarHBondContact O-CB 3.47Å; V311-Q314 PolarHBondContact O-N 2.9Å; V311-Y469 HydrophobicContact CB-CD2 4.44Å; V311-Y469 HydrophobicContact CG1-CD2 3.75Å; V311-Y469 HydrophobicContact CG1-CE2 4.02Å; V311-Y469 HydrophobicContact CG2-CD2 3.78Å; V311-Y469 HydrophobicContact CG2-CG 3.95Å
312G92.7Very high80.8Confident13 Ų1343.5 Ų43.513%0.13424%0.239CC..THydrogen-bonded Turntrans-63.6-23.4174.400000112.3D220 R321D220-G312 WeakPolarHBondContact OD2-CA 3.28Å; D220-G312 PolarHBondContact OD2-N 3.39Å; G312-R321 PolarHBondContact O-NH1 2.83Å; G312-R321 PolarHBondContact O-NH2 2.86Å
313C94.8Very high82.5Confident3 Ų343.9 Ų43.92%0.0224%0.241CC..THydrogen-bonded Turntrans-101.310.3173.8-71.90000115.4D220 W310 V311 G315 R321 G322 C325 S326D220-C313 WeakPolarHBondContact OD1-CB 3.41Å; D220-C313 PolarHBondContact OD1-N 3.3Å; D220-C313 VanDerWaalsContact OD1-N 3.08Å; D220-C313 PolarHBondContact OD2-N 3.05Å; W310-C313 HydrophobicContact CE3-CB 4.4Å; V311-C313 PolarHBondContact O-N 2.97Å; C313-G315 PolarHBondContact O-N 3.08Å; C313-R321 VanDerWaalsContact O-CB 3.27Å; C313-R321 WeakPolarHBondContact O-CB 3.39Å; C313-G322 PolarHBondContact O-N 3.33Å; C313-C325 WeakPolarHBondContact CA-SG 3.26Å; C313-C325 HydrophobicContact CB-CB 3.57Å; C313-C325 WeakPolarHBondContact CB-SG 3.45Å; C313-C325 WeakPolarHBondContact SG-CB 3.42Å; C313-C325 CovalentContact SG-SG 2.05Å; C313-C325 PolarHBondContact SG-SG 2.81Å; C313-S326 PolarHBondContact SG-N 3.45Å
314Q91.9Very high84Confident13 Ų1343.3 Ų43.36%0.06125%0.245CC..  trans-63.1126.8175.8-170.4168.89.600111.1E206 P207 W208 W310 V311 R321E206-Q314 PolarHBondContact O-NE2 2.82Å; P207-Q314 PolarHBondContact O-NE2 3.03Å; W208-Q314 HydrophobicContact CE3-CG 4.23Å; W208-Q314 HydrophobicContact CZ3-CG 4.22Å; W310-Q314 HydrophobicContact CB-CB 4.12Å; V311-Q314 WeakPolarHBondContact O-CB 3.47Å; V311-Q314 PolarHBondContact O-N 2.9Å; Q314-R321 WeakPolarHBondContact O-CD 3.49Å; Q314-R321 PolarHBondContact O-NH1 2.86Å
315G87.3Confident85.3Confident16 Ų1644.7 Ų44.717%0.16525%0.254CS..  trans-84154.3174.400000112.2C313 R317 D420C313-G315 PolarHBondContact O-N 3.08Å; G315-R317 PolarHBondContact O-N 2.97Å; G315-D420 VanDerWaalsContact CA-OD2 3.31Å; G315-D420 WeakPolarHBondContact CA-OD2 3.36Å
316S82.3Confident86.8Confident45 Ų4544.5 Ų44.532%0.31525%0.252SS..SBendtrans-69.7-16.6173.562.60000113.6D420S316-D420 VanDerWaalsContact CB-OD1 3.28Å; S316-D420 WeakPolarHBondContact CB-OD1 3.45Å; S316-D420 PolarHBondContact N-OD2 2.98Å; S316-D420 VanDerWaalsContact OG-CG 3.3Å; S316-D420 PolarHBondContact OG-OD1 3.45Å; S316-D420 PolarHBondContact OG-OD2 3.46Å
317R81.1Confident88.4Confident180 Ų18042.6 Ų42.668%0.67924%0.235SC*.SBendtrans-143.9158.8177.1-56.7-178.2-175.9168.11.1109.6G315 L320G315-R317 PolarHBondContact O-N 2.97Å; R317-L320 HydrophobicContact CB-CD1 3.95Å; R317-L320 HydrophobicContact CB-CG 4.37Å; R317-L320 HydrophobicContact CG-CD1 4.32Å; R317-L320 WeakPolarHBondContact O-CB 3.47Å; R317-L320 PolarHBondContact O-N 3.25Å
318L77.6Confident89.6Confident99 Ų9939.4 Ų39.452%0.51822%0.218SC..THydrogen-bonded Turntrans-57.3145.4170.4-62.8175000110.4L320L318-L320 PolarHBondContact O-N 2.88Å
319G76.6Confident90.3Very high81 Ų8138.4 Ų38.484%0.83521%0.214SC*.THydrogen-bonded Turntrans77.8-8.8-174.800000115.9
320L84.4Confident90.8Very high30 Ų3035.9 Ų35.916%0.15720%0.204CC..SBendtrans-96.1148.8175.1-61-179.8000112.4R317 L318 G322 D420R317-L320 HydrophobicContact CB-CD1 3.95Å; R317-L320 HydrophobicContact CB-CG 4.37Å; R317-L320 HydrophobicContact CG-CD1 4.32Å; R317-L320 WeakPolarHBondContact O-CB 3.47Å; R317-L320 PolarHBondContact O-N 3.25Å; L318-L320 PolarHBondContact O-N 2.88Å; L320-G322 PolarHBondContact O-N 2.85Å; L320-D420 HydrophobicContact CD1-CB 4.22Å
321R90.4Very high91.2Very high51 Ų5133.8 Ų33.819%0.19220%0.197CC..SBendtrans56.4-100176.6-52.5-173.371.5-129.3-3.3113.3G312 C313 Q314 P324 C325 D420G312-R321 PolarHBondContact O-NH1 2.83Å; G312-R321 PolarHBondContact O-NH2 2.86Å; C313-R321 VanDerWaalsContact O-CB 3.27Å; C313-R321 WeakPolarHBondContact O-CB 3.39Å; Q314-R321 WeakPolarHBondContact O-CD 3.49Å; Q314-R321 PolarHBondContact O-NH1 2.86Å; R321-P324 WeakPolarHBondContact O-CD 3.43Å; R321-C325 HydrophobicContact CB-CB 4.3Å; R321-C325 PolarHBondContact O-N 2.86Å; R321-D420 WeakPolarHBondContact CD-OD2 3.43Å; R321-D420 HydrophobicContact CG-CB 3.9Å; R321-D420 WeakPolarHBondContact CG-OD2 3.49Å
322G91.5Very high91.4Very high9 Ų933.9 Ų33.99%0.09320%0.197CC..Hα-helixtrans48.3-133.1169.800000115.1C313 L320 C325 S326C313-G322 PolarHBondContact O-N 3.33Å; L320-G322 PolarHBondContact O-N 2.85Å; G322-C325 WeakPolarHBondContact O-CB 3.48Å; G322-C325 PolarHBondContact O-N 3.38Å; G322-S326 PolarHBondContact O-N 2.04Å
323Y92.8Very high91.7Very high8 Ų833.2 Ų33.23%0.03119%0.191CC..Hα-helixtrans-54.3-49.8-175174.4-115.4000114A224 Y227 E232 W310 C325 S326 L327 Y364 F369A224-Y323 HydrophobicContact CB-CE2 4.45Å; A224-Y323 WeakPolarHBondContact O-CE2 3.34Å; Y227-Y323 AromaticContact CD1-CD1 3.36Å; Y227-Y323 HydrophobicContact CD1-CD1 3.36Å; Y227-Y323 AromaticContact CD1-CD2 3.51Å; Y227-Y323 HydrophobicContact CD1-CD2 3.51Å; Y227-Y323 AromaticContact CD1-CE1 3.68Å; Y227-Y323 HydrophobicContact CD1-CE1 3.68Å; Y227-Y323 AromaticContact CD1-CE2 3.81Å; Y227-Y323 HydrophobicContact CD1-CE2 3.81Å; Y227-Y323 AromaticContact CD1-CG 3.27Å; Y227-Y323 HydrophobicContact CD1-CG 3.27Å; Y227-Y323 AromaticContact CD1-CZ 3.89Å; Y227-Y323 HydrophobicContact CD2-CG 4.37Å; Y227-Y323 AromaticContact CE1-CD1 3.39Å; Y227-Y323 HydrophobicContact CE1-CD1 3.39Å; Y227-Y323 HydrophobicContact CE1-CD2 4.34Å; Y227-Y323 AromaticContact CE1-CE1 3.88Å; Y227-Y323 HydrophobicContact CE1-CE1 3.88Å; Y227-Y323 AromaticContact CE1-CG 3.65Å; Y227-Y323 HydrophobicContact CE1-CG 3.65Å; Y227-Y323 HydrophobicContact CG-CD1 4.24Å; Y227-Y323 AromaticContact CG-CD2 3.7Å; Y227-Y323 HydrophobicContact CG-CD2 3.7Å; Y227-Y323 HydrophobicContact CG-CE2 4.26Å; Y227-Y323 AromaticContact CG-CG 3.68Å; Y227-Y323 HydrophobicContact CG-CG 3.68Å; E232-Y323 HydrophobicContact CG-CD1 4.47Å; E232-Y323 HydrophobicContact CG-CE1 3.63Å; E232-Y323 VanDerWaalsContact OE1-CE1 3.28Å; E232-Y323 WeakPolarHBondContact OE1-CE1 3.1Å; W310-Y323 HydrophobicContact CH2-CD2 4.34Å; Y323-C325 VanDerWaalsContact C-N 3.29Å; Y323-C325 PolarHBondContact O-N 3.11Å; Y323-S326 WeakPolarHBondContact CA-OG 3.15Å; Y323-S326 PolarHBondContact O-N 3.42Å; Y323-S326 PolarHBondContact O-OG 3.42Å; Y323-L327 HydrophobicContact CE1-CD2 4.21Å; Y323-L327 HydrophobicContact CE2-CB 4.28Å; Y323-L327 HydrophobicContact CE2-CD1 4.28Å; Y323-L327 WeakPolarHBondContact O-CB 3.14Å; Y323-L327 PolarHBondContact O-N 2.98Å; Y323-Y364 PolarHBondContact OH-OH 3.32Å; Y323-F369 HydrophobicContact CD1-CE2 4.18Å; Y323-F369 AromaticContact CE1-CD2 3.97Å; Y323-F369 HydrophobicContact CE1-CD2 3.97Å; Y323-F369 AromaticContact CE1-CE2 3.77Å; Y323-F369 HydrophobicContact CE1-CE2 3.77Å
324P94.6Very high91.9Very high63 Ų6333.1 Ų33.141%0.40919%0.19SC..Hα-helixtrans-51.7-41.8173.3-30.234.7000114.6R321 W328 F369R321-P324 WeakPolarHBondContact O-CD 3.43Å; P324-W328 PolarHBondContact O-N 3.5Å; P324-F369 HydrophobicContact CG-CZ 4.42Å
325C96.2Very high92.2Very high28 Ų2832.5 Ų32.519%0.18919%0.187CC..Hα-helixtrans-64.4-44.6175.8169.40000111.6C313 R321 G322 Y323 L327 W328 T329C313-C325 WeakPolarHBondContact CA-SG 3.26Å; C313-C325 HydrophobicContact CB-CB 3.57Å; C313-C325 WeakPolarHBondContact CB-SG 3.45Å; C313-C325 WeakPolarHBondContact SG-CB 3.42Å; C313-C325 CovalentContact SG-SG 2.05Å; C313-C325 PolarHBondContact SG-SG 2.81Å; R321-C325 HydrophobicContact CB-CB 4.3Å; R321-C325 PolarHBondContact O-N 2.86Å; G322-C325 WeakPolarHBondContact O-CB 3.48Å; G322-C325 PolarHBondContact O-N 3.38Å; Y323-C325 VanDerWaalsContact C-N 3.29Å; Y323-C325 PolarHBondContact O-N 3.11Å; C325-L327 VanDerWaalsContact C-N 3.35Å; C325-L327 PolarHBondContact O-N 3.49Å; C325-W328 PolarHBondContact O-N 2.81Å; C325-T329 PolarHBondContact O-N 2.79Å; C325-T329 PolarHBondContact O-OG1 3.31Å
326S96.4Very high92.7Very high0 Ų031.9 Ų31.90%018%0.18CC..Hα-helixtrans-69.4-32.4-178.772.80000113D220 A224 W310 C313 G322 Y323 T329 L330D220-S326 WeakPolarHBondContact O-CB 3.45Å; A224-S326 VanDerWaalsContact CB-OG 3.3Å; A224-S326 WeakPolarHBondContact CB-OG 3.42Å; W310-S326 WeakPolarHBondContact CZ3-OG 3.18Å; C313-S326 PolarHBondContact SG-N 3.45Å; G322-S326 PolarHBondContact O-N 2.04Å; Y323-S326 WeakPolarHBondContact CA-OG 3.15Å; Y323-S326 PolarHBondContact O-N 3.42Å; Y323-S326 PolarHBondContact O-OG 3.42Å; S326-T329 PolarHBondContact O-N 3.22Å; S326-L330 WeakPolarHBondContact O-CB 3.43Å; S326-L330 PolarHBondContact O-N 3.18Å
327L97.4Very high93.4Very high7 Ų731.1 Ų31.14%0.03717%0.171CC..Hα-helixtrans-68.7-42.9177-171.865.6000111.5Y323 C325 L330 F331 Y364 F369Y323-L327 HydrophobicContact CE1-CD2 4.21Å; Y323-L327 HydrophobicContact CE2-CB 4.28Å; Y323-L327 HydrophobicContact CE2-CD1 4.28Å; Y323-L327 WeakPolarHBondContact O-CB 3.14Å; Y323-L327 PolarHBondContact O-N 2.98Å; C325-L327 VanDerWaalsContact C-N 3.35Å; C325-L327 PolarHBondContact O-N 3.49Å; L327-L330 PolarHBondContact O-N 2.97Å; L327-F331 HydrophobicContact CD1-CD2 4.08Å; L327-F331 HydrophobicContact CD1-CE2 3.62Å; L327-F331 HydrophobicContact CG-CD2 4.14Å; L327-F331 HydrophobicContact CG-CE2 4.01Å; L327-F331 WeakPolarHBondContact O-CD2 3.5Å; L327-F331 PolarHBondContact O-N 2.97Å; L327-F331 VanDerWaalsContact O-N 3.1Å; L327-Y364 HydrophobicContact CD1-CE1 4.16Å; L327-Y364 HydrophobicContact CD2-CE1 4.02Å; L327-F369 HydrophobicContact CD2-CD2 3.83Å; L327-F369 HydrophobicContact CD2-CE2 3.73Å; L327-F369 HydrophobicContact CD2-CZ 4.39Å
328W98.3Very high94.2Very high42 Ų4223.3 Ų23.316%0.15914%0.143CC..Hα-helixtrans-58.2-50.2169.8-83112000111P324 C325 L330 F331 H332 M361 F378 L399 H403 V406P324-W328 PolarHBondContact O-N 3.5Å; C325-W328 PolarHBondContact O-N 2.81Å; W328-L330 VanDerWaalsContact C-N 3.31Å; W328-L330 PolarHBondContact O-N 3.21Å; W328-F331 PolarHBondContact O-N 3.44Å; W328-H332 AromaticContact CE3-NE2 3.81Å; W328-H332 PolarHBondContact O-CD2 3.45Å; W328-H332 PolarHBondContact O-N 2.82Å; W328-M361 HydrophobicContact CE3-CE 4Å; W328-M361 HydrophobicContact CH2-CE 4.34Å; W328-M361 HydrophobicContact CZ3-CE 3.93Å; W328-F378 HydrophobicContact CH2-CD2 4.09Å; W328-F378 AromaticContact CH2-CE2 3.99Å; W328-F378 HydrophobicContact CH2-CE2 3.99Å; W328-F378 HydrophobicContact CZ2-CD2 4.48Å; W328-F378 HydrophobicContact CZ3-CE2 4.46Å; W328-L399 HydrophobicContact CE3-CD1 4.22Å; W328-L399 HydrophobicContact CZ3-CD1 3.6Å; W328-L399 HydrophobicContact CZ3-CG 4.2Å; W328-H403 AromaticContact CD1-NE2 3.76Å; W328-H403 AromaticContact CD2-CD2 3.7Å; W328-H403 AromaticContact CD2-CG 3.89Å; W328-H403 AromaticContact CD2-NE2 3.81Å; W328-H403 AromaticContact CE2-CD2 3.74Å; W328-H403 HydrophobicContact CE3-CB 3.95Å; W328-H403 AromaticContact CE3-CG 3.74Å; W328-H403 AromaticContact CE3-ND1 3.97Å; W328-H403 AromaticContact CG-CE1 3.77Å; W328-H403 AromaticContact CG-NE2 3.66Å; W328-H403 HydrophobicContact CH2-CB 4.11Å; W328-H403 HydrophobicContact CZ3-CB 3.71Å; W328-H403 AromaticContact CZ3-CG 3.99Å; W328-H403 AromaticContact NE1-NE2 4Å; W328-V406 HydrophobicContact CZ2-CG2 4.4Å
329T98.3Very high95.1Very high22 Ų2219.6 Ų19.614%0.13512%0.123CC..Hα-helixtrans-57.7-42.7179.1-56.30000111.7V216 L221 C325 S326 H332 V333 Y460V216-T329 HydrophobicContact CG1-CG2 3.59Å; V216-T329 HydrophobicContact CG2-CG2 4.43Å; L221-T329 HydrophobicContact CD2-CG2 3.97Å; C325-T329 PolarHBondContact O-N 2.79Å; C325-T329 PolarHBondContact O-OG1 3.31Å; S326-T329 PolarHBondContact O-N 3.22Å; T329-H332 PolarHBondContact O-N 3.3Å; T329-V333 VanDerWaalsContact O-CG2 3.3Å; T329-V333 WeakPolarHBondContact O-CG2 3.31Å; T329-V333 PolarHBondContact O-N 2.98Å; T329-Y460 HydrophobicContact CG2-CE1 4.25Å
330L98.1Very high96Very high0 Ų019 Ų190%011%0.111CC..Hα-helixtrans-60.2-50.1176.2177.663.4000111.9L221 A224 L225 F250 Y258 S326 L327 W328 H332 V333 L334L221-L330 HydrophobicContact CD2-CB 4Å; L221-L330 HydrophobicContact CD2-CD1 4.25Å; A224-L330 HydrophobicContact CB-CD2 4.39Å; L225-L330 HydrophobicContact CD2-CD2 3.76Å; L225-L330 HydrophobicContact CG-CD2 4.34Å; F250-L330 HydrophobicContact CZ-CD2 4.17Å; Y258-L330 HydrophobicContact CD2-CD1 4.22Å; Y258-L330 HydrophobicContact CE2-CD1 4.23Å; S326-L330 WeakPolarHBondContact O-CB 3.43Å; S326-L330 PolarHBondContact O-N 3.18Å; L327-L330 PolarHBondContact O-N 2.97Å; W328-L330 VanDerWaalsContact C-N 3.31Å; W328-L330 PolarHBondContact O-N 3.21Å; L330-H332 PolarHBondContact O-N 3.09Å; L330-V333 WeakPolarHBondContact O-CB 3.35Å; L330-V333 PolarHBondContact O-N 3.32Å; L330-L334 HydrophobicContact CD1-CD1 4.16Å; L330-L334 HydrophobicContact CD1-CG 4.29Å; L330-L334 HydrophobicContact CG-CD1 4Å; L330-L334 VanDerWaalsContact O-CG 3.29Å; L330-L334 WeakPolarHBondContact O-CG 3.34Å; L330-L334 PolarHBondContact O-N 3.21Å
331F98.6Very high96.5Very high0 Ų019.5 Ų19.50%012%0.119CC..Hα-helixtrans-68.1-34-179.8-77-66.8000113.2F250 L253 L327 W328 L334 T335 V357 M361 Y364 L399F250-F331 HydrophobicContact CD2-CE1 4.47Å; F250-F331 HydrophobicContact CD2-CZ 4.11Å; F250-F331 HydrophobicContact CE2-CE1 4.2Å; F250-F331 AromaticContact CE2-CZ 3.76Å; F250-F331 HydrophobicContact CE2-CZ 3.76Å; L253-F331 HydrophobicContact CD2-CE1 4.43Å; L327-F331 HydrophobicContact CD1-CD2 4.08Å; L327-F331 HydrophobicContact CD1-CE2 3.62Å; L327-F331 HydrophobicContact CG-CD2 4.14Å; L327-F331 HydrophobicContact CG-CE2 4.01Å; L327-F331 WeakPolarHBondContact O-CD2 3.5Å; L327-F331 PolarHBondContact O-N 2.97Å; L327-F331 VanDerWaalsContact O-N 3.1Å; W328-F331 PolarHBondContact O-N 3.44Å; F331-L334 HydrophobicContact CD1-CD1 4Å; F331-L334 HydrophobicContact CE1-CD1 4.26Å; F331-L334 PolarHBondContact O-N 3.23Å; F331-T335 WeakPolarHBondContact O-CG2 3.34Å; F331-T335 PolarHBondContact O-N 2.94Å; F331-T335 PolarHBondContact O-OG1 2.79Å; F331-V357 HydrophobicContact CD1-CG1 4.1Å; F331-M361 HydrophobicContact CB-CE 4.19Å; F331-M361 HydrophobicContact CB-SD 3.66Å; F331-M361 HydrophobicContact CD1-CB 3.68Å; F331-M361 HydrophobicContact CD1-CG 3.97Å; F331-M361 HydrophobicContact CD1-SD 4.15Å; F331-M361 HydrophobicContact CD2-CB 4.25Å; F331-M361 HydrophobicContact CD2-CE 3.81Å; F331-M361 HydrophobicContact CD2-CG 3.63Å; F331-M361 HydrophobicContact CD2-SD 3.74Å; F331-M361 HydrophobicContact CE1-CB 3.56Å; F331-M361 HydrophobicContact CE1-CG 4.03Å; F331-M361 HydrophobicContact CE2-CB 4.13Å; F331-M361 HydrophobicContact CE2-CG 3.68Å; F331-M361 HydrophobicContact CE2-SD 4.41Å; F331-M361 HydrophobicContact CG-CB 4.04Å; F331-M361 HydrophobicContact CG-CE 4.18Å; F331-M361 HydrophobicContact CG-CG 3.77Å; F331-M361 HydrophobicContact CG-SD 3.58Å; F331-M361 VanDerWaalsContact CG-SD 3.58Å; F331-M361 HydrophobicContact CZ-CB 3.79Å; F331-M361 HydrophobicContact CZ-CG 3.89Å; F331-Y364 HydrophobicContact CE2-CD1 4.44Å; F331-L399 HydrophobicContact CB-CD2 3.95Å
332H98.7Very high96.4Very high1 Ų120.2 Ų20.21%0.00513%0.13CC..Hα-helixtrans-62.6-40.1170.7-79.1-63.8000112.7W328 T329 L330 T335 V336 L399 H403 Y460W328-H332 AromaticContact CE3-NE2 3.81Å; W328-H332 PolarHBondContact O-CD2 3.45Å; W328-H332 PolarHBondContact O-N 2.82Å; T329-H332 PolarHBondContact O-N 3.3Å; L330-H332 PolarHBondContact O-N 3.09Å; H332-T335 PolarHBondContact O-OG1 2.95Å; H332-V336 PolarHBondContact O-N 2.96Å; H332-L399 VanDerWaalsContact CE1-CG 3.5Å; H332-L399 WeakPolarHBondContact CE1-CG 3.43Å; H332-H403 AromaticContact CD2-ND1 3.96Å; H332-H403 AromaticContact NE2-CG 3.9Å; H332-H403 AromaticContact NE2-ND1 3.26Å; H332-H403 PolarHBondContact NE2-ND1 3.26Å; H332-Y460 HydrophobicContact CB-CD1 3.87Å; H332-Y460 HydrophobicContact CB-CD2 3.74Å; H332-Y460 HydrophobicContact CB-CE1 3.71Å; H332-Y460 HydrophobicContact CB-CE2 3.54Å; H332-Y460 HydrophobicContact CB-CG 3.89Å; H332-Y460 AromaticContact CG-CE2 3.74Å; H332-Y460 AromaticContact CG-CZ 3.77Å
333V98.5Very high96.5Very high0 Ų022.8 Ų22.80%015%0.151CC..Hα-helixtrans-63.1-44.8172.1168.90000110.9V216 L221 P259 T329 L330 T335 V336 Q337 Y460 L465V216-V333 HydrophobicContact CG1-CG2 4.29Å; L221-V333 HydrophobicContact CD1-CG2 4.36Å; P259-V333 HydrophobicContact CG-CG1 3.52Å; T329-V333 VanDerWaalsContact O-CG2 3.3Å; T329-V333 WeakPolarHBondContact O-CG2 3.31Å; T329-V333 PolarHBondContact O-N 2.98Å; L330-V333 WeakPolarHBondContact O-CB 3.35Å; L330-V333 PolarHBondContact O-N 3.32Å; V333-T335 PolarHBondContact O-N 2.69Å; V333-V336 PolarHBondContact O-N 3.23Å; V333-Q337 HydrophobicContact CG1-CG 4.22Å; V333-Q337 WeakPolarHBondContact O-CB 3.29Å; V333-Q337 WeakPolarHBondContact O-CG 3.38Å; V333-Q337 PolarHBondContact O-N 3.09Å; V333-Y460 HydrophobicContact CG2-CD1 3.89Å; V333-Y460 HydrophobicContact CG2-CG 4.43Å; V333-L465 HydrophobicContact CG2-CD2 4.33Å
334L98.3Very high96.5Very high0 Ų023.7 Ų23.70%016%0.16CC..Hα-helixtrans-65.2-38.3-179.8-65.6168.7000112.8L253 V254 L257 L330 F331 Q337 H338 V357L253-L334 HydrophobicContact CD2-CD1 4.09Å; V254-L334 HydrophobicContact CG2-CD1 4.39Å; L257-L334 HydrophobicContact CB-CD2 3.64Å; L330-L334 HydrophobicContact CD1-CD1 4.16Å; L330-L334 HydrophobicContact CD1-CG 4.29Å; L330-L334 HydrophobicContact CG-CD1 4Å; L330-L334 VanDerWaalsContact O-CG 3.29Å; L330-L334 WeakPolarHBondContact O-CG 3.34Å; L330-L334 PolarHBondContact O-N 3.21Å; F331-L334 HydrophobicContact CD1-CD1 4Å; F331-L334 HydrophobicContact CE1-CD1 4.26Å; F331-L334 PolarHBondContact O-N 3.23Å; L334-Q337 PolarHBondContact O-N 2.98Å; L334-H338 WeakPolarHBondContact O-CB 3.48Å; L334-H338 PolarHBondContact O-N 2.99Å; L334-V357 HydrophobicContact CB-CG1 3.74Å
335T98.4Very high96.5Very high0 Ų020.9 Ų20.90%014%0.141CC..Hα-helixtrans-65.6-44.6175.555.20000111.6F331 H332 V333 Q337 H338 D339 V357 E395 L399F331-T335 WeakPolarHBondContact O-CG2 3.34Å; F331-T335 PolarHBondContact O-N 2.94Å; F331-T335 PolarHBondContact O-OG1 2.79Å; H332-T335 PolarHBondContact O-OG1 2.95Å; V333-T335 PolarHBondContact O-N 2.69Å; T335-Q337 VanDerWaalsContact C-N 3.32Å; T335-Q337 PolarHBondContact O-N 3.48Å; T335-H338 PolarHBondContact O-N 3.26Å; T335-D339 PolarHBondContact O-N 3.36Å; T335-V357 HydrophobicContact CG2-CB 3.94Å; T335-V357 HydrophobicContact CG2-CG1 3.57Å; T335-E395 HydrophobicContact CG2-CG 3.99Å; T335-L399 HydrophobicContact CG2-CD2 3.89Å
336V98.4Very high96.3Very high3 Ų324.4 Ų24.42%0.01816%0.158CC..Hα-helixtrans-66.1-34.5177.2167.60000112H332 V333 D339 A340 V396H332-V336 PolarHBondContact O-N 2.96Å; V333-V336 PolarHBondContact O-N 3.23Å; V336-D339 PolarHBondContact O-N 3.24Å; V336-A340 WeakPolarHBondContact O-CB 3.3Å; V336-A340 PolarHBondContact O-N 2.98Å; V336-V396 HydrophobicContact CG2-CG1 3.97Å; V336-V396 HydrophobicContact CG2-CG2 3.98Å
337Q97.3Very high96Very high30 Ų3027.8 Ų27.814%0.1419%0.193CC..Hα-helixtrans-71.9-34.9175.1-73-65.4120.400113L257 P259 V333 L334 T335 A340 A341L257-Q337 HydrophobicContact CB-CB 4.35Å; L257-Q337 VanDerWaalsContact O-CB 3.3Å; L257-Q337 WeakPolarHBondContact O-CB 3.5Å; L257-Q337 WeakPolarHBondContact O-CG 3.32Å; P259-Q337 HydrophobicContact CB-CG 3.97Å; P259-Q337 HydrophobicContact CG-CG 4.18Å; V333-Q337 HydrophobicContact CG1-CG 4.22Å; V333-Q337 WeakPolarHBondContact O-CB 3.29Å; V333-Q337 WeakPolarHBondContact O-CG 3.38Å; V333-Q337 PolarHBondContact O-N 3.09Å; L334-Q337 PolarHBondContact O-N 2.98Å; T335-Q337 VanDerWaalsContact C-N 3.32Å; T335-Q337 PolarHBondContact O-N 3.48Å; Q337-A340 PolarHBondContact O-N 3.26Å; Q337-A341 PolarHBondContact O-N 3.37Å
338H96.5Very high95.6Very high16 Ų1628.6 Ų28.67%0.07420%0.199CC..Hα-helixtrans-64.1-44171.6-179.6-147.5000111.4L257 L334 T335 A341 P356 V357 R392 E395L257-H338 HydrophobicContact CD1-CB 3.92Å; L257-H338 HydrophobicContact CD2-CB 4.17Å; L334-H338 WeakPolarHBondContact O-CB 3.48Å; L334-H338 PolarHBondContact O-N 2.99Å; T335-H338 PolarHBondContact O-N 3.26Å; H338-A341 CarbonylContact O-C 3.06Å; H338-A341 PolarHBondContact O-N 3.44Å; H338-P356 WeakPolarHBondContact CE1-CG 3.23Å; H338-V357 HydrophobicContact CB-CG2 3.89Å; H338-R392 WeakPolarHBondContact O-CD 3.27Å; H338-E395 IonicContact CE1-OE2 3.56Å; H338-E395 IonicContact CG-OE2 3.36Å; H338-E395 IonicContact ND1-OE2 3.59Å; H338-E395 PolarHBondContact ND1-OE2 3.42Å
339D96.7Very high95.1Very high20 Ų2029.5 Ų29.511%0.10722%0.221CC..Hα-helixtrans-59.6-44.2173.9177.666.8000112.8T335 V336 R392 V396 R457T335-D339 PolarHBondContact O-N 3.36Å; V336-D339 PolarHBondContact O-N 3.24Å; D339-R392 HydrophobicContact CB-CB 4.06Å; D339-V396 HydrophobicContact CB-CG2 4.19Å; D339-R457 IonicContact OD1-CZ 2.99Å; D339-R457 IonicContact OD1-NH2 3.63Å; D339-R457 PolarHBondContact OD1-NH2 3.49Å; D339-R457 IonicContact OD2-CZ 3.81Å; D339-R457 IonicContact OD2-NE 3.44Å; D339-R457 PolarHBondContact OD2-NE 3.19Å; D339-R457 IonicContact OD2-NH2 3.59Å; D339-R457 PolarHBondContact OD2-NH2 3.38Å
340A96Very high94.8Very high70 Ų7028.6 Ų28.658%0.57922%0.215SC*.Hα-helixtrans-72.7-26179.200000114.5V336 Q337V336-A340 WeakPolarHBondContact O-CB 3.3Å; V336-A340 PolarHBondContact O-N 2.98Å; Q337-A340 PolarHBondContact O-N 3.26Å
341A94.3Very high94.2Very high40 Ų4033.5 Ų33.533%0.33124%0.238SC..  trans-130.974.2-178.500000112.1Q337 H338 A343 A344Q337-A341 PolarHBondContact O-N 3.37Å; H338-A341 CarbonylContact O-C 3.06Å; H338-A341 PolarHBondContact O-N 3.44Å; A341-A343 PolarHBondContact O-N 3.44Å; A341-A344 HydrophobicContact CB-CB 4Å; A341-A344 WeakPolarHBondContact O-CB 3.47Å; A341-A344 PolarHBondContact O-N 3.27Å
342P88.8Confident93.5Very high65 Ų6537.1 Ų37.142%0.42228%0.276SS..THydrogen-bonded Turntrans-58-27.5-171.6-29.137.1000116.1
343A93.4Very high93Very high64 Ų6439.5 Ų39.553%0.52929%0.287SS..THydrogen-bonded Turntrans-90.10.5179.900000113.7A341 L345 D346A341-A343 PolarHBondContact O-N 3.44Å; A343-L345 PolarHBondContact O-N 3.26Å; A343-D346 WeakPolarHBondContact CB-OD2 3.44Å; A343-D346 WeakPolarHBondContact O-CB 3.35Å; A343-D346 PolarHBondContact O-N 2.9Å; A343-D346 VanDerWaalsContact O-N 3.15Å
344A92.6Very high92.4Very high27 Ų2743.3 Ų43.322%0.22332%0.318CS..THydrogen-bonded Turntrans-65.1-26-175.200000113.3K256 L257 A341K256-A344 WeakPolarHBondContact CB-O 3.39Å; K256-A344 WeakPolarHBondContact CD-O 3.17Å; L257-A344 HydrophobicContact CD2-CB 3.65Å; A341-A344 HydrophobicContact CB-CB 4Å; A341-A344 WeakPolarHBondContact O-CB 3.47Å; A341-A344 PolarHBondContact O-N 3.27Å
345L94.4Very high92.3Very high4 Ų443.3 Ų43.32%0.02132%0.319CS..THydrogen-bonded Turntrans-93.22.4177.8-60.8-177.8000113.7L253 K256 L257 A343 G347 S348 P356L253-L345 HydrophobicContact CD1-CD1 4.37Å; L253-L345 HydrophobicContact CD1-CD2 4.18Å; K256-L345 HydrophobicContact CB-CD2 3.82Å; K256-L345 HydrophobicContact CG-CD2 4.28Å; L257-L345 HydrophobicContact CD1-CD1 4.41Å; L257-L345 HydrophobicContact CD1-CD2 4.11Å; L257-L345 HydrophobicContact CD1-CG 4.47Å; L257-L345 HydrophobicContact CD2-CD2 4.33Å; L257-L345 HydrophobicContact CD2-CG 4.42Å; L257-L345 HydrophobicContact CG-CD2 4.01Å; A343-L345 PolarHBondContact O-N 3.26Å; L345-G347 PolarHBondContact O-N 3.35Å; L345-S348 WeakPolarHBondContact O-CB 2.77Å; L345-S348 PolarHBondContact O-N 2.95Å; L345-S348 VanDerWaalsContact O-N 3.12Å; L345-S348 PolarHBondContact O-OG 3.02Å; L345-P356 HydrophobicContact CD1-CB 3.81Å; L345-P356 HydrophobicContact CD1-CG 3.46Å; L345-P356 VanDerWaalsContact CD1-CG 3.46Å
346D93.8Very high92.2Very high102 Ų10243.5 Ų43.555%0.54532%0.32SS..THydrogen-bonded Turntrans-61.3128.3-179.5-70.3-6.6000111.3A343 S348A343-D346 WeakPolarHBondContact CB-OD2 3.44Å; A343-D346 WeakPolarHBondContact O-CB 3.35Å; A343-D346 PolarHBondContact O-N 2.9Å; A343-D346 VanDerWaalsContact O-N 3.15Å; D346-S348 VanDerWaalsContact C-N 3.26Å; D346-S348 PolarHBondContact O-N 2.82Å
347G88.8Confident92.1Very high70 Ų7043.4 Ų43.472%0.72232%0.319SS*.THydrogen-bonded Turntrans66.623-178.400000114.4L345 E351L345-G347 PolarHBondContact O-N 3.35Å; G347-E351 WeakPolarHBondContact CA-OE1 3.2Å; G347-E351 PolarHBondContact N-OE1 3.23Å
348S89.4Confident92.2Very high25 Ų2542 Ų4218%0.17531%0.312CS..THydrogen-bonded Turntrans-93-13.7177.669.70000113.6L345 D346 L350 E351L345-S348 WeakPolarHBondContact O-CB 2.77Å; L345-S348 PolarHBondContact O-N 2.95Å; L345-S348 VanDerWaalsContact O-N 3.12Å; L345-S348 PolarHBondContact O-OG 3.02Å; D346-S348 VanDerWaalsContact C-N 3.26Å; D346-S348 PolarHBondContact O-N 2.82Å; S348-L350 VanDerWaalsContact C-N 3.31Å; S348-L350 WeakPolarHBondContact OG-CB 3.38Å; S348-L350 PolarHBondContact OG-N 3.1Å; S348-E351 PolarHBondContact N-OE2 3.41Å; S348-E351 PolarHBondContact OG-OE2 2.91Å
349G88.4Confident92.2Very high60 Ų6043.3 Ų43.362%0.61932%0.319SS*.THydrogen-bonded Turntrans85-0.5-167.600000113.9E351G349-E351 WeakPolarHBondContact CA-OE2 3.38Å; G349-E351 PolarHBondContact N-OE2 3.35Å
350L91.3Very high92.2Very high3 Ų342.4 Ų42.42%0.01631%0.314CS..  trans-106.9-11.4178.6-57.9176000113D249 T252 L253 S348 G352 E353 P356 V360D249-L350 HydrophobicContact CB-CD2 4.29Å; T252-L350 HydrophobicContact CG2-CD1 4.31Å; L253-L350 HydrophobicContact CB-CD1 4.34Å; L253-L350 HydrophobicContact CD1-CD1 4.02Å; S348-L350 VanDerWaalsContact C-N 3.31Å; S348-L350 WeakPolarHBondContact OG-CB 3.38Å; S348-L350 PolarHBondContact OG-N 3.1Å; L350-G352 PolarHBondContact O-N 3.41Å; L350-G352 VanDerWaalsContact O-N 3.08Å; L350-E353 WeakPolarHBondContact CD2-OE1 3.35Å; L350-E353 PolarHBondContact O-N 2.81Å; L350-P356 HydrophobicContact CB-CB 4.24Å; L350-V360 HydrophobicContact CD1-CG2 4.35Å; L350-V360 HydrophobicContact CD2-CG2 4.21Å
351E85.4Confident92.3Very high103 Ų10339.1 Ų39.148%0.48129%0.287SS..THydrogen-bonded Turntrans-60.1-19.3-177.160.5-90-156.700114.9G347 S348 G349G347-E351 WeakPolarHBondContact CA-OE1 3.2Å; G347-E351 PolarHBondContact N-OE1 3.23Å; S348-E351 PolarHBondContact N-OE2 3.41Å; S348-E351 PolarHBondContact OG-OE2 2.91Å; G349-E351 WeakPolarHBondContact CA-OE2 3.38Å; G349-E351 PolarHBondContact N-OE2 3.35Å
352G83.4Confident92.5Very high76 Ų7639.6 Ų39.678%0.78428%0.28SS*.THydrogen-bonded Turntrans-92.6-4.417700000115.1L350L350-G352 PolarHBondContact O-N 3.41Å; L350-G352 VanDerWaalsContact O-N 3.08Å
353E88.8Confident92.9Very high51 Ų5139.1 Ų39.124%0.23827%0.27CS..SBendtrans-85.9132.6176.1-63.2-166.3-135.100110.4L350 A355 P356 Q359 R363L350-E353 WeakPolarHBondContact CD2-OE1 3.35Å; L350-E353 PolarHBondContact O-N 2.81Å; E353-A355 VanDerWaalsContact C-N 3.27Å; E353-A355 PolarHBondContact O-N 3.44Å; E353-P356 HydrophobicContact CB-CB 4.17Å; E353-P356 WeakPolarHBondContact O-CD 3.29Å; E353-Q359 WeakPolarHBondContact OE2-CB 3.14Å; E353-R363 IonicContact OE1-CZ 3.33Å; E353-R363 IonicContact OE1-NH1 2.69Å; E353-R363 PolarHBondContact OE1-NH1 2.98Å; E353-R363 IonicContact OE1-NH2 3.26Å; E353-R363 PolarHBondContact OE1-NH2 3.25Å; E353-R363 IonicContact OE2-CZ 2.76Å; E353-R363 IonicContact OE2-NH1 3.51Å; E353-R363 PolarHBondContact OE2-NH1 3.12Å; E353-R363 IonicContact OE2-NH2 2.72Å; E353-R363 PolarHBondContact OE2-NH2 2.78Å
354A87.2Confident93Very high80 Ų8036.1 Ų36.166%0.66125%0.245SC*.SBendtrans-66.3-25.7-17500000114.4
355A94.5Very high93.1Very high1 Ų135.3 Ų35.31%0.00824%0.237CC..SBendtrans-143.67217800000109.1E353 V357 L358 Q359 V389 E395E353-A355 VanDerWaalsContact C-N 3.27Å; E353-A355 PolarHBondContact O-N 3.44Å; A355-V357 PolarHBondContact O-N 3.38Å; A355-L358 HydrophobicContact CB-CB 4.1Å; A355-L358 HydrophobicContact CB-CD1 4.3Å; A355-L358 PolarHBondContact O-N 3.47Å; A355-Q359 WeakPolarHBondContact O-CB 3.2Å; A355-Q359 WeakPolarHBondContact O-CG 3.21Å; A355-Q359 PolarHBondContact O-N 3.22Å; A355-V389 HydrophobicContact CB-CB 4.07Å; A355-V389 HydrophobicContact CB-CG1 3.72Å; A355-E395 WeakPolarHBondContact CA-OE1 3.31Å; A355-E395 HydrophobicContact CB-CG 4.31Å
356P96.2Very high93.1Very high4 Ų442.3 Ų42.33%0.02626%0.263CS..Hα-helixtrans-65.9-36.6-164.525.4-32000112.9H338 L345 L350 E353 V360H338-P356 WeakPolarHBondContact CE1-CG 3.23Å; L345-P356 HydrophobicContact CD1-CB 3.81Å; L345-P356 HydrophobicContact CD1-CG 3.46Å; L345-P356 VanDerWaalsContact CD1-CG 3.46Å; L350-P356 HydrophobicContact CB-CB 4.24Å; E353-P356 HydrophobicContact CB-CB 4.17Å; E353-P356 WeakPolarHBondContact O-CD 3.29Å; P356-V360 WeakPolarHBondContact O-CB 3.3Å; P356-V360 VanDerWaalsContact O-CG2 3.23Å; P356-V360 WeakPolarHBondContact O-CG2 3.36Å; P356-V360 PolarHBondContact O-N 3.25Å
357V97.9Very high92.9Very high0 Ų039 Ų390%025%0.246CC..Hα-helixtrans-67-45.4177.6-178.40000109.7L253 L257 F331 L334 T335 H338 A355 M361 E395L253-V357 HydrophobicContact CD1-CG2 4.11Å; L253-V357 HydrophobicContact CD2-CB 4.46Å; L253-V357 HydrophobicContact CD2-CG1 4.22Å; L257-V357 HydrophobicContact CD1-CG2 3.76Å; F331-V357 HydrophobicContact CD1-CG1 4.1Å; L334-V357 HydrophobicContact CB-CG1 3.74Å; T335-V357 HydrophobicContact CG2-CB 3.94Å; T335-V357 HydrophobicContact CG2-CG1 3.57Å; H338-V357 HydrophobicContact CB-CG2 3.89Å; A355-V357 PolarHBondContact O-N 3.38Å; V357-M361 WeakPolarHBondContact O-CB 3.35Å; V357-M361 PolarHBondContact O-N 2.85Å; V357-E395 WeakPolarHBondContact CA-OE1 3.39Å; V357-E395 VanDerWaalsContact CB-OE1 3.3Å; V357-E395 WeakPolarHBondContact CB-OE1 3.07Å; V357-E395 PolarHBondContact N-OE1 3.01Å
358L98.2Very high92.9Very high0 Ų035.7 Ų35.70%021%0.212CC..Hα-helixtrans-67-40.2179.3-74.8-176.9000113.3A355 M361 R362 M386 V389 E395 W398 L399A355-L358 HydrophobicContact CB-CB 4.1Å; A355-L358 HydrophobicContact CB-CD1 4.3Å; A355-L358 PolarHBondContact O-N 3.47Å; L358-M361 WeakPolarHBondContact O-CB 3.35Å; L358-M361 PolarHBondContact O-N 3.03Å; L358-R362 WeakPolarHBondContact O-CB 3.49Å; L358-R362 PolarHBondContact O-N 3.47Å; L358-M386 HydrophobicContact CB-CE 3.86Å; L358-M386 HydrophobicContact CB-CG 4.25Å; L358-M386 HydrophobicContact CB-SD 3.93Å; L358-M386 HydrophobicContact CD1-CG 4.4Å; L358-M386 HydrophobicContact CD2-CE 4.41Å; L358-V389 HydrophobicContact CD1-CG1 4.24Å; L358-V389 HydrophobicContact CD1-CG2 4.08Å; L358-E395 HydrophobicContact CB-CG 4.39Å; L358-E395 HydrophobicContact CD1-CG 3.7Å; L358-E395 HydrophobicContact CG-CG 3.57Å; L358-E395 PolarHBondContact N-OE1 3.45Å; L358-W398 HydrophobicContact CD1-CB 4.2Å; L358-W398 HydrophobicContact CD1-CD2 3.96Å; L358-W398 HydrophobicContact CD1-CE3 3.56Å; L358-W398 HydrophobicContact CD1-CG 4.25Å; L358-W398 HydrophobicContact CD1-CZ3 4.28Å; L358-W398 HydrophobicContact CD2-CE3 3.64Å; L358-W398 HydrophobicContact CD2-CZ3 3.83Å; L358-W398 HydrophobicContact CG-CE3 4.26Å; L358-L399 HydrophobicContact CD2-CB 4.02Å; L358-L399 HydrophobicContact CD2-CD1 3.72Å; L358-L399 HydrophobicContact CD2-CG 4.29Å
359Q97.2Very high92.9Very high45 Ų4535.4 Ų35.421%0.2121%0.207CC..Hα-helixtrans-70.1-39.5179.5-67.4-69.8-3.200111.2E353 A355 R362 R363 M386E353-Q359 WeakPolarHBondContact OE2-CB 3.14Å; A355-Q359 WeakPolarHBondContact O-CB 3.2Å; A355-Q359 WeakPolarHBondContact O-CG 3.21Å; A355-Q359 PolarHBondContact O-N 3.22Å; Q359-R362 PolarHBondContact O-N 2.93Å; Q359-R363 WeakPolarHBondContact O-CB 3.46Å; Q359-R363 VanDerWaalsContact O-CG 3.29Å; Q359-R363 WeakPolarHBondContact O-CG 3.5Å; Q359-R363 PolarHBondContact O-N 3.26Å; Q359-M386 HydrophobicContact CG-SD 4.47Å
360V97.5Very high92.7Very high0 Ų032.7 Ų32.70%018%0.179CC..Hα-helixtrans-64.4-42.5171172.10000111.3D249 F250 L253 L350 P356 R362 R363 Y364D249-V360 HydrophobicContact CB-CG1 4.48Å; D249-V360 HydrophobicContact CB-CG2 3.89Å; F250-V360 HydrophobicContact CB-CG1 4.09Å; F250-V360 HydrophobicContact CD2-CG1 4.26Å; L253-V360 HydrophobicContact CB-CG1 4.4Å; L253-V360 HydrophobicContact CD2-CB 3.96Å; L253-V360 HydrophobicContact CD2-CG1 3.8Å; L350-V360 HydrophobicContact CD1-CG2 4.35Å; L350-V360 HydrophobicContact CD2-CG2 4.21Å; P356-V360 WeakPolarHBondContact O-CB 3.3Å; P356-V360 VanDerWaalsContact O-CG2 3.23Å; P356-V360 WeakPolarHBondContact O-CG2 3.36Å; P356-V360 PolarHBondContact O-N 3.25Å; V360-R362 PolarHBondContact O-N 2.98Å; V360-R363 PolarHBondContact O-N 3.19Å; V360-Y364 VanDerWaalsContact O-CB 3.31Å; V360-Y364 WeakPolarHBondContact O-CB 3.48Å; V360-Y364 PolarHBondContact O-N 3.4Å
361M98.1Very high92.5Very high2 Ų234.5 Ų34.51%0.0119%0.192CC..Hα-helixtrans-57.6-47173.4-178.5177-17400111.9W328 F331 V357 L358 Y364 I365 F378 L399W328-M361 HydrophobicContact CE3-CE 4Å; W328-M361 HydrophobicContact CH2-CE 4.34Å; W328-M361 HydrophobicContact CZ3-CE 3.93Å; F331-M361 HydrophobicContact CB-CE 4.19Å; F331-M361 HydrophobicContact CB-SD 3.66Å; F331-M361 HydrophobicContact CD1-CB 3.68Å; F331-M361 HydrophobicContact CD1-CG 3.97Å; F331-M361 HydrophobicContact CD1-SD 4.15Å; F331-M361 HydrophobicContact CD2-CB 4.25Å; F331-M361 HydrophobicContact CD2-CE 3.81Å; F331-M361 HydrophobicContact CD2-CG 3.63Å; F331-M361 HydrophobicContact CD2-SD 3.74Å; F331-M361 HydrophobicContact CE1-CB 3.56Å; F331-M361 HydrophobicContact CE1-CG 4.03Å; F331-M361 HydrophobicContact CE2-CB 4.13Å; F331-M361 HydrophobicContact CE2-CG 3.68Å; F331-M361 HydrophobicContact CE2-SD 4.41Å; F331-M361 HydrophobicContact CG-CB 4.04Å; F331-M361 HydrophobicContact CG-CE 4.18Å; F331-M361 HydrophobicContact CG-CG 3.77Å; F331-M361 HydrophobicContact CG-SD 3.58Å; F331-M361 VanDerWaalsContact CG-SD 3.58Å; F331-M361 HydrophobicContact CZ-CB 3.79Å; F331-M361 HydrophobicContact CZ-CG 3.89Å; V357-M361 WeakPolarHBondContact O-CB 3.35Å; V357-M361 PolarHBondContact O-N 2.85Å; L358-M361 WeakPolarHBondContact O-CB 3.35Å; L358-M361 PolarHBondContact O-N 3.03Å; M361-Y364 PolarHBondContact O-N 3.31Å; M361-I365 HydrophobicContact CE-CD1 3.63Å; M361-I365 HydrophobicContact CG-CD1 3.7Å; M361-I365 HydrophobicContact CG-CG1 4.41Å; M361-I365 WeakPolarHBondContact O-CB 3.31Å; M361-I365 VanDerWaalsContact O-CG1 3.31Å; M361-I365 WeakPolarHBondContact O-CG1 3.34Å; M361-I365 PolarHBondContact O-N 2.91Å; M361-I365 HydrophobicContact SD-CD1 4.47Å; M361-F378 HydrophobicContact CE-CD2 4.46Å; M361-F378 HydrophobicContact CE-CE2 3.68Å; M361-F378 HydrophobicContact CE-CZ 3.93Å; M361-F378 HydrophobicContact CG-CE1 4.37Å; M361-F378 HydrophobicContact CG-CZ 3.93Å; M361-F378 HydrophobicContact SD-CE2 4.07Å; M361-F378 HydrophobicContact SD-CZ 3.76Å; M361-L399 HydrophobicContact CE-CD1 3.92Å; M361-L399 HydrophobicContact SD-CD1 3.45Å; M361-L399 WeakPolarHBondContact SD-CD1 3.34Å; M361-L399 HydrophobicContact SD-CD2 4.45Å
362R97.7Very high92.5Very high49 Ų4932.8 Ų32.819%0.18518%0.182CC..Hα-helixtrans-60.2-47.3177.4-175.1-172-177173.7-0.6111.7L358 Q359 V360 I365 R366 F378 E379 A382 M386L358-R362 WeakPolarHBondContact O-CB 3.49Å; L358-R362 PolarHBondContact O-N 3.47Å; Q359-R362 PolarHBondContact O-N 2.93Å; V360-R362 PolarHBondContact O-N 2.98Å; R362-I365 PolarHBondContact O-N 3.27Å; R362-R366 WeakPolarHBondContact O-CG 3.44Å; R362-R366 PolarHBondContact O-N 3.01Å; R362-F378 HydrophobicContact CB-CE1 4.13Å; R362-F378 HydrophobicContact CG-CE1 4.5Å; R362-E379 VanDerWaalsContact CG-OE2 3.28Å; R362-E379 WeakPolarHBondContact CG-OE2 3.21Å; R362-E379 IonicContact CZ-OE1 3.4Å; R362-E379 IonicContact CZ-OE2 2.76Å; R362-E379 IonicContact NE-OE1 2.73Å; R362-E379 PolarHBondContact NE-OE1 2.94Å; R362-E379 IonicContact NE-OE2 3.49Å; R362-E379 PolarHBondContact NE-OE2 3.22Å; R362-E379 IonicContact NH2-OE1 3.54Å; R362-E379 PolarHBondContact NH2-OE1 3.42Å; R362-E379 IonicContact NH2-OE2 3.74Å; R362-A382 HydrophobicContact CG-CB 4Å; R362-M386 HydrophobicContact CB-CE 4.15Å; R362-M386 HydrophobicContact CB-SD 4.11Å; R362-M386 HydrophobicContact CG-SD 4.5Å
363R96.6Very high92.6Very high55 Ų5533.9 Ų33.921%0.20817%0.167CC..Hα-helixtrans-61.8-47.1176.9-72-167.7-63.6-9717.4111.1V246 D249 E353 Q359 V360 I365 R366 T367V246-R363 HydrophobicContact CB-CB 4.44Å; V246-R363 HydrophobicContact CG1-CB 3.84Å; V246-R363 HydrophobicContact CG2-CB 3.77Å; V246-R363 HydrophobicContact CG2-CG 4.45Å; D249-R363 IonicContact OD2-CZ 3.1Å; D249-R363 IonicContact OD2-NE 2.74Å; D249-R363 PolarHBondContact OD2-NE 2.99Å; D249-R363 VanDerWaalsContact OD2-NE 3.1Å; D249-R363 IonicContact OD2-NH2 3.77Å; D249-R363 PolarHBondContact OD2-NH2 2.78Å; E353-R363 IonicContact OE1-CZ 3.33Å; E353-R363 IonicContact OE1-NH1 2.69Å; E353-R363 PolarHBondContact OE1-NH1 2.98Å; E353-R363 IonicContact OE1-NH2 3.26Å; E353-R363 PolarHBondContact OE1-NH2 3.25Å; E353-R363 IonicContact OE2-CZ 2.76Å; E353-R363 IonicContact OE2-NH1 3.51Å; E353-R363 PolarHBondContact OE2-NH1 3.12Å; E353-R363 IonicContact OE2-NH2 2.72Å; E353-R363 PolarHBondContact OE2-NH2 2.78Å; Q359-R363 WeakPolarHBondContact O-CB 3.46Å; Q359-R363 VanDerWaalsContact O-CG 3.29Å; Q359-R363 WeakPolarHBondContact O-CG 3.5Å; Q359-R363 PolarHBondContact O-N 3.26Å; V360-R363 PolarHBondContact O-N 3.19Å; R363-I365 PolarHBondContact O-N 2.95Å; R363-R366 PolarHBondContact O-N 3.11Å; R363-T367 PolarHBondContact O-N 2.86Å; R363-T367 VanDerWaalsContact O-N 3.1Å; R363-T367 PolarHBondContact O-OG1 3.03Å
364Y96Very high92.7Very high2 Ų234.2 Ų34.21%0.00818%0.175CC..Hα-helixtrans-57.4-49.4176.2177.3-93.6000112.3L228 E232 F250 Y323 L327 F331 V360 M361 R366 T367 F368L228-Y364 HydrophobicContact CD1-CD2 4.14Å; L228-Y364 HydrophobicContact CD1-CE1 4.23Å; L228-Y364 HydrophobicContact CD1-CE2 3.36Å; L228-Y364 VanDerWaalsContact CD1-CZ 3.43Å; L228-Y364 WeakPolarHBondContact CD1-OH 3.45Å; L228-Y364 HydrophobicContact CD2-CE2 4.35Å; L228-Y364 HydrophobicContact CG-CE2 3.68Å; L228-Y364 WeakPolarHBondContact CG-OH 3.18Å; E232-Y364 WeakPolarHBondContact CB-OH 3.47Å; F250-Y364 HydrophobicContact CD2-CD2 4.31Å; F250-Y364 HydrophobicContact CG-CD2 4.49Å; Y323-Y364 PolarHBondContact OH-OH 3.32Å; L327-Y364 HydrophobicContact CD1-CE1 4.16Å; L327-Y364 HydrophobicContact CD2-CE1 4.02Å; F331-Y364 HydrophobicContact CE2-CD1 4.44Å; V360-Y364 VanDerWaalsContact O-CB 3.31Å; V360-Y364 WeakPolarHBondContact O-CB 3.48Å; V360-Y364 PolarHBondContact O-N 3.4Å; M361-Y364 PolarHBondContact O-N 3.31Å; Y364-R366 VanDerWaalsContact C-N 3.32Å; Y364-R366 PolarHBondContact O-N 3.11Å; Y364-T367 PolarHBondContact O-N 2.89Å; Y364-F368 HydrophobicContact CD2-CB 4.12Å; Y364-F368 AromaticContact CD2-CD2 3.62Å; Y364-F368 HydrophobicContact CD2-CD2 3.62Å; Y364-F368 HydrophobicContact CD2-CG 4.26Å; Y364-F368 HydrophobicContact CE2-CB 3.61Å; Y364-F368 AromaticContact CE2-CD2 3.77Å; Y364-F368 HydrophobicContact CE2-CD2 3.77Å; Y364-F368 AromaticContact CE2-CG 3.98Å; Y364-F368 HydrophobicContact CE2-CG 3.98Å; Y364-F368 PolarHBondContact O-N 3.45Å
365I95.3Very high92.9Very high10 Ų1030.7 Ų30.75%0.05115%0.146CC..Hα-helixtrans-65.3-34.1-178.1-72.9173.8000112.4M361 R362 R363 F369 F378M361-I365 HydrophobicContact CE-CD1 3.63Å; M361-I365 HydrophobicContact CG-CD1 3.7Å; M361-I365 HydrophobicContact CG-CG1 4.41Å; M361-I365 WeakPolarHBondContact O-CB 3.31Å; M361-I365 VanDerWaalsContact O-CG1 3.31Å; M361-I365 WeakPolarHBondContact O-CG1 3.34Å; M361-I365 PolarHBondContact O-N 2.91Å; M361-I365 HydrophobicContact SD-CD1 4.47Å; R362-I365 PolarHBondContact O-N 3.27Å; R363-I365 PolarHBondContact O-N 2.95Å; I365-F369 HydrophobicContact CB-CB 4.42Å; I365-F369 HydrophobicContact CG1-CB 4.44Å; I365-F369 HydrophobicContact CG2-CB 4.39Å; I365-F369 HydrophobicContact CG2-CD1 4.27Å; I365-F378 HydrophobicContact CB-CD1 4.35Å; I365-F378 HydrophobicContact CD1-CD1 3.81Å; I365-F378 HydrophobicContact CD1-CD2 4.02Å; I365-F378 HydrophobicContact CD1-CE1 3.94Å; I365-F378 HydrophobicContact CD1-CE2 4.14Å; I365-F378 HydrophobicContact CD1-CG 3.85Å; I365-F378 HydrophobicContact CD1-CZ 4.1Å; I365-F378 HydrophobicContact CG2-CB 4.08Å; I365-F378 HydrophobicContact CG2-CD1 4.11Å; I365-F378 HydrophobicContact CG2-CG 4.26Å
366R92.7Very high92.8Very high151 Ų15135.5 Ų35.557%0.5716%0.164SC*.Hα-helixtrans-69.8-41175.4-75.4175.262.1146-7.6112.7R362 R363 Y364 E379R362-R366 WeakPolarHBondContact O-CG 3.44Å; R362-R366 PolarHBondContact O-N 3.01Å; R363-R366 PolarHBondContact O-N 3.11Å; Y364-R366 VanDerWaalsContact C-N 3.32Å; Y364-R366 PolarHBondContact O-N 3.11Å; R366-E379 WeakPolarHBondContact CD-OE2 3.41Å; R366-E379 HydrophobicContact CG-CG 4.48Å; R366-E379 IonicContact CZ-OE1 2.74Å; R366-E379 IonicContact NH1-OE1 3.42Å; R366-E379 PolarHBondContact NH1-OE1 3.27Å
367T89.9Confident92.7Very high31 Ų3137.4 Ų37.419%0.1917%0.173CC..Hα-helixtrans-83.7-60.6-173.9-60.80000111.6E243 R363 Y364E243-T367 HydrophobicContact CB-CG2 4.09Å; E243-T367 HydrophobicContact CG-CG2 3.84Å; R363-T367 PolarHBondContact O-N 2.86Å; R363-T367 VanDerWaalsContact O-N 3.1Å; R363-T367 PolarHBondContact O-OG1 3.03Å; Y364-T367 PolarHBondContact O-N 2.89Å
368F89.3Confident92.6Very high2 Ų238.1 Ų38.11%0.00918%0.176CC..THydrogen-bonded Turntrans-95.5-39.6-164.4-62.3-65.1000113.3E232 L233 H236 L239 E243 V246 F247 Y364 G370E232-F368 VanDerWaalsContact OE2-O 3.05Å; L233-F368 HydrophobicContact CD1-CD1 4.01Å; L233-F368 HydrophobicContact CD1-CE1 3.62Å; L233-F368 HydrophobicContact CD1-CE2 4.49Å; L233-F368 HydrophobicContact CD1-CZ 3.87Å; H236-F368 AromaticContact CD2-CD1 3.63Å; H236-F368 AromaticContact CD2-CE1 4Å; H236-F368 AromaticContact CE1-CD1 3.76Å; H236-F368 AromaticContact CE1-CE1 3.91Å; H236-F368 AromaticContact ND1-CE1 3.97Å; H236-F368 AromaticContact NE2-CD1 3.38Å; H236-F368 WeakPolarHBondContact NE2-CD1 3.22Å; H236-F368 AromaticContact NE2-CE1 3.93Å; L239-F368 HydrophobicContact CD2-CE1 3.68Å; L239-F368 HydrophobicContact CD2-CZ 4.05Å; E243-F368 HydrophobicContact CB-CZ 4.28Å; V246-F368 HydrophobicContact CB-CE2 4.03Å; V246-F368 HydrophobicContact CG1-CD2 4.15Å; V246-F368 HydrophobicContact CG1-CE2 3.76Å; F247-F368 HydrophobicContact CB-CE2 4.3Å; F247-F368 HydrophobicContact CB-CZ 4.19Å; Y364-F368 HydrophobicContact CD2-CB 4.12Å; Y364-F368 AromaticContact CD2-CD2 3.62Å; Y364-F368 HydrophobicContact CD2-CD2 3.62Å; Y364-F368 HydrophobicContact CD2-CG 4.26Å; Y364-F368 HydrophobicContact CE2-CB 3.61Å; Y364-F368 AromaticContact CE2-CD2 3.77Å; Y364-F368 HydrophobicContact CE2-CD2 3.77Å; Y364-F368 AromaticContact CE2-CG 3.98Å; Y364-F368 HydrophobicContact CE2-CG 3.98Å; Y364-F368 PolarHBondContact O-N 3.45Å; F368-G370 PolarHBondContact O-N 2.79Å; F368-G370 VanDerWaalsContact O-N 3.12Å
369F90.4Very high92.6Very high19 Ų1939.9 Ų39.98%0.08318%0.184CC..  trans-58.9116-167.4-167.7-128.3000113.8E232 Y323 P324 L327 I365 C371 C374E232-F369 WeakPolarHBondContact OE2-CA 3.47Å; Y323-F369 HydrophobicContact CD1-CE2 4.18Å; Y323-F369 AromaticContact CE1-CD2 3.97Å; Y323-F369 HydrophobicContact CE1-CD2 3.97Å; Y323-F369 AromaticContact CE1-CE2 3.77Å; Y323-F369 HydrophobicContact CE1-CE2 3.77Å; P324-F369 HydrophobicContact CG-CZ 4.42Å; L327-F369 HydrophobicContact CD2-CD2 3.83Å; L327-F369 HydrophobicContact CD2-CE2 3.73Å; L327-F369 HydrophobicContact CD2-CZ 4.39Å; I365-F369 HydrophobicContact CB-CB 4.42Å; I365-F369 HydrophobicContact CG1-CB 4.44Å; I365-F369 HydrophobicContact CG2-CB 4.39Å; I365-F369 HydrophobicContact CG2-CD1 4.27Å; F369-C371 VanDerWaalsContact C-N 3.33Å; F369-C371 HydrophobicContact CD1-CB 4.34Å; F369-C371 HydrophobicContact CE1-CB 3.95Å; F369-C371 HydrophobicContact CZ-CB 4.34Å; F369-C371 PolarHBondContact O-N 3.39Å; F369-C374 HydrophobicContact CD1-CB 4.33Å; F369-C374 HydrophobicContact CE1-CB 3.69Å
370G84.1Confident92.6Very high2 Ų243 Ų432%0.02120%0.199CC..SBendtrans-65.8-26.5-169.500000115.3F32 E232 F368 K372F32-G370 PolarHBondContact N-O 2.62Å; F32-G370 VanDerWaalsContact N-O 3.09Å; E232-G370 PolarHBondContact OE2-N 2.94Å; F368-G370 PolarHBondContact O-N 2.79Å; F368-G370 VanDerWaalsContact O-N 3.12Å; G370-K372 PolarHBondContact O-N 3.18Å
371C87Confident92.5Very high42 Ų4244 Ų4428%0.28421%0.207SC..BIsolated β-bridgetrans-78.184.8172.5-178.40000111F369 E373 C374 G375F369-C371 VanDerWaalsContact C-N 3.33Å; F369-C371 HydrophobicContact CD1-CB 4.34Å; F369-C371 HydrophobicContact CE1-CB 3.95Å; F369-C371 HydrophobicContact CZ-CB 4.34Å; F369-C371 PolarHBondContact O-N 3.39Å; C371-E373 VanDerWaalsContact C-N 3.27Å; C371-E373 PolarHBondContact O-N 3.13Å; C371-C374 HydrophobicContact CB-CB 3.63Å; C371-C374 WeakPolarHBondContact CB-SG 3.29Å; C371-C374 WeakPolarHBondContact O-CA 3.34Å; C371-C374 VanDerWaalsContact O-CB 3.31Å; C371-C374 WeakPolarHBondContact O-CB 3.41Å; C371-C374 PolarHBondContact O-N 2.88Å; C371-C374 WeakPolarHBondContact SG-CB 3.38Å; C371-C374 PolarHBondContact SG-N 2.73Å; C371-C374 CovalentContact SG-SG 2.04Å; C371-C374 PolarHBondContact SG-SG 3.23Å; C371-G375 PolarHBondContact O-N 3.24Å
372K84.6Confident92.4Very high66 Ų6644 Ų4429%0.28721%0.207SC..Hα-helixtrans-59.5-33.5-178.1-60.9-52.9-176.2-161.80113.9D31 G370 G375 R376D31-K372 HydrophobicContact CB-CG 4.06Å; D31-K372 WeakPolarHBondContact OD1-CE 3.38Å; D31-K372 IonicContact OD1-NZ 2.79Å; D31-K372 PolarHBondContact OD1-NZ 2.95Å; G370-K372 PolarHBondContact O-N 3.18Å; K372-G375 PolarHBondContact O-N 2.9Å; K372-R376 WeakPolarHBondContact O-CB 3.39Å; K372-R376 PolarHBondContact O-N 3.37Å
373E86.3Confident92.4Very high99 Ų9944.7 Ų44.746%0.46322%0.223SC..Hα-helixtrans-70.7-33175.8179.459.8-174.500112.5C371 R376 H377C371-E373 VanDerWaalsContact C-N 3.27Å; C371-E373 PolarHBondContact O-N 3.13Å; E373-R376 VanDerWaalsContact CD-NH2 3.31Å; E373-R376 IonicContact OE1-CZ 3.67Å; E373-R376 IonicContact OE1-NE 2.7Å; E373-R376 IonicContact OE1-NH2 3.65Å; E373-R376 PolarHBondContact OE1-NH2 2.9Å; E373-R376 IonicContact OE2-CZ 3.89Å; E373-R376 IonicContact OE2-NE 3.85Å; E373-R376 PolarHBondContact OE2-NE 3.29Å; E373-R376 IonicContact OE2-NH2 3.68Å; E373-R376 PolarHBondContact OE2-NH2 3.37Å; E373-H377 PolarHBondContact O-N 2.95Å; E373-H377 PolarHBondContact O-ND1 3.3Å; E373-H377 IonicContact OE1-CE1 3.85Å; E373-H377 PolarHBondContact OE1-CE1 3.43Å; E373-H377 IonicContact OE1-ND1 2.71Å; E373-H377 IonicContact OE1-NE2 3.82Å
374C90.4Very high92.4Very high58 Ų5845.4 Ų45.439%0.39224%0.241SC..Hα-helixtrans-67.4-45.7170.6-51.40000110.4F369 C371 H377 F378F369-C374 HydrophobicContact CD1-CB 4.33Å; F369-C374 HydrophobicContact CE1-CB 3.69Å; C371-C374 HydrophobicContact CB-CB 3.63Å; C371-C374 WeakPolarHBondContact CB-SG 3.29Å; C371-C374 WeakPolarHBondContact O-CA 3.34Å; C371-C374 VanDerWaalsContact O-CB 3.31Å; C371-C374 WeakPolarHBondContact O-CB 3.41Å; C371-C374 PolarHBondContact O-N 2.88Å; C371-C374 WeakPolarHBondContact SG-CB 3.38Å; C371-C374 PolarHBondContact SG-N 2.73Å; C371-C374 CovalentContact SG-SG 2.04Å; C371-C374 PolarHBondContact SG-SG 3.23Å; C374-H377 PolarHBondContact O-N 3.43Å; C374-F378 PolarHBondContact O-N 2.94Å
375G92Very high92.4Very high7 Ų746.2 Ų46.27%0.07225%0.247CC..Hα-helixtrans-62.7-41.7178.400000113.2C371 K372 H377 F378 E379C371-G375 PolarHBondContact O-N 3.24Å; K372-G375 PolarHBondContact O-N 2.9Å; G375-H377 VanDerWaalsContact C-N 3.34Å; G375-H377 PolarHBondContact O-N 2.96Å; G375-F378 PolarHBondContact O-N 2.83Å; G375-E379 WeakPolarHBondContact O-CB 3.39Å; G375-E379 PolarHBondContact O-N 2.89Å
376R92.5Very high92.5Very high101 Ų10145.8 Ų45.838%0.38125%0.245SC..Hα-helixtrans-57.8-45.3173.2-171.1-169.664.766.3-0.7111.6K372 E373 Q380K372-R376 WeakPolarHBondContact O-CB 3.39Å; K372-R376 PolarHBondContact O-N 3.37Å; E373-R376 VanDerWaalsContact CD-NH2 3.31Å; E373-R376 IonicContact OE1-CZ 3.67Å; E373-R376 IonicContact OE1-NE 2.7Å; E373-R376 IonicContact OE1-NH2 3.65Å; E373-R376 PolarHBondContact OE1-NH2 2.9Å; E373-R376 IonicContact OE2-CZ 3.89Å; E373-R376 IonicContact OE2-NE 3.85Å; E373-R376 PolarHBondContact OE2-NE 3.29Å; E373-R376 IonicContact OE2-NH2 3.68Å; E373-R376 PolarHBondContact OE2-NH2 3.37Å; R376-Q380 WeakPolarHBondContact O-CG 3.4Å; R376-Q380 PolarHBondContact O-N 3.42Å
377H93.3Very high92.6Very high45 Ų4544.2 Ų44.221%0.20825%0.248CC..Hα-helixtrans-66.4-39.5176.6-79.8126.1000113.2E373 C374 G375 A381 R409E373-H377 PolarHBondContact O-N 2.95Å; E373-H377 PolarHBondContact O-ND1 3.3Å; E373-H377 IonicContact OE1-CE1 3.85Å; E373-H377 PolarHBondContact OE1-CE1 3.43Å; E373-H377 IonicContact OE1-ND1 2.71Å; E373-H377 IonicContact OE1-NE2 3.82Å; C374-H377 PolarHBondContact O-N 3.43Å; G375-H377 VanDerWaalsContact C-N 3.34Å; G375-H377 PolarHBondContact O-N 2.96Å; H377-A381 PolarHBondContact O-N 3.12Å; H377-R409 PolarHBondContact CD2-NH1 3.07Å; H377-R409 VanDerWaalsContact CD2-NH1 3.32Å
378F96.6Very high92.8Very high15 Ų1549 Ų497%0.06627%0.268CS..Hα-helixtrans-66.3-44.2176-173.7-89.3000111.2W328 M361 R362 I365 C374 G375 Q380 A381 A382 M386 W398W328-F378 HydrophobicContact CH2-CD2 4.09Å; W328-F378 AromaticContact CH2-CE2 3.99Å; W328-F378 HydrophobicContact CH2-CE2 3.99Å; W328-F378 HydrophobicContact CZ2-CD2 4.48Å; W328-F378 HydrophobicContact CZ3-CE2 4.46Å; M361-F378 HydrophobicContact CE-CD2 4.46Å; M361-F378 HydrophobicContact CE-CE2 3.68Å; M361-F378 HydrophobicContact CE-CZ 3.93Å; M361-F378 HydrophobicContact CG-CE1 4.37Å; M361-F378 HydrophobicContact CG-CZ 3.93Å; M361-F378 HydrophobicContact SD-CE2 4.07Å; M361-F378 HydrophobicContact SD-CZ 3.76Å; R362-F378 HydrophobicContact CB-CE1 4.13Å; R362-F378 HydrophobicContact CG-CE1 4.5Å; I365-F378 HydrophobicContact CB-CD1 4.35Å; I365-F378 HydrophobicContact CD1-CD1 3.81Å; I365-F378 HydrophobicContact CD1-CD2 4.02Å; I365-F378 HydrophobicContact CD1-CE1 3.94Å; I365-F378 HydrophobicContact CD1-CE2 4.14Å; I365-F378 HydrophobicContact CD1-CG 3.85Å; I365-F378 HydrophobicContact CD1-CZ 4.1Å; I365-F378 HydrophobicContact CG2-CB 4.08Å; I365-F378 HydrophobicContact CG2-CD1 4.11Å; I365-F378 HydrophobicContact CG2-CG 4.26Å; C374-F378 PolarHBondContact O-N 2.94Å; G375-F378 PolarHBondContact O-N 2.83Å; F378-Q380 VanDerWaalsContact C-N 3.31Å; F378-Q380 PolarHBondContact O-N 3.35Å; F378-A381 PolarHBondContact O-N 3.22Å; F378-A381 VanDerWaalsContact O-N 3.12Å; F378-A382 HydrophobicContact CE1-CB 4.38Å; F378-A382 WeakPolarHBondContact O-CB 3.32Å; F378-A382 PolarHBondContact O-N 3.43Å; F378-M386 HydrophobicContact CE1-CE 4.19Å; F378-M386 HydrophobicContact CZ-CE 4.21Å; F378-W398 HydrophobicContact CE2-CZ3 4.41Å; F378-W398 HydrophobicContact CZ-CH2 4.36Å; F378-W398 HydrophobicContact CZ-CZ3 4.17Å
379E97.1Very high93.1Very high37 Ų3749.1 Ų49.117%0.17327%0.269CS..Hα-helixtrans-62.7-36.9178.2178.458.9-17600112.3R362 R366 G375 A382 A383R362-E379 VanDerWaalsContact CG-OE2 3.28Å; R362-E379 WeakPolarHBondContact CG-OE2 3.21Å; R362-E379 IonicContact CZ-OE1 3.4Å; R362-E379 IonicContact CZ-OE2 2.76Å; R362-E379 IonicContact NE-OE1 2.73Å; R362-E379 PolarHBondContact NE-OE1 2.94Å; R362-E379 IonicContact NE-OE2 3.49Å; R362-E379 PolarHBondContact NE-OE2 3.22Å; R362-E379 IonicContact NH2-OE1 3.54Å; R362-E379 PolarHBondContact NH2-OE1 3.42Å; R362-E379 IonicContact NH2-OE2 3.74Å; R366-E379 WeakPolarHBondContact CD-OE2 3.41Å; R366-E379 HydrophobicContact CG-CG 4.48Å; R366-E379 IonicContact CZ-OE1 2.74Å; R366-E379 IonicContact NH1-OE1 3.42Å; R366-E379 PolarHBondContact NH1-OE1 3.27Å; G375-E379 WeakPolarHBondContact O-CB 3.39Å; G375-E379 PolarHBondContact O-N 2.89Å; E379-A382 PolarHBondContact O-N 3.06Å; E379-A383 WeakPolarHBondContact O-CB 3.34Å; E379-A383 PolarHBondContact O-N 3.45Å
380Q96.4Very high93.1Very high110 Ų11053.7 Ų53.751%0.51430%0.298SS..Hα-helixtrans-63.6-40.7172.7-76.5177.7-22.700112.6R376 F378 A384R376-Q380 WeakPolarHBondContact O-CG 3.4Å; R376-Q380 PolarHBondContact O-N 3.42Å; F378-Q380 VanDerWaalsContact C-N 3.31Å; F378-Q380 PolarHBondContact O-N 3.35Å; Q380-A384 WeakPolarHBondContact O-CB 3.34Å; Q380-A384 PolarHBondContact O-N 3.43Å
381A95.7Very high93.7Very high22 Ų2255.7 Ų55.718%0.18231%0.312CS..Hα-helixtrans-68.1-41.5175.500000111.9H377 F378 A384 S385 Q402H377-A381 PolarHBondContact O-N 3.12Å; F378-A381 PolarHBondContact O-N 3.22Å; F378-A381 VanDerWaalsContact O-N 3.12Å; A381-A384 PolarHBondContact O-N 3.39Å; A381-S385 PolarHBondContact O-OG 2.9Å; A381-Q402 HydrophobicContact CB-CG 4.49Å
382A96.7Very high94.1Very high0 Ų058.6 Ų58.60%032%0.317CS..Hα-helixtrans-62.5-50.2177.200000112R362 F378 E379 A384 S385 M386 W398R362-A382 HydrophobicContact CG-CB 4Å; F378-A382 HydrophobicContact CE1-CB 4.38Å; F378-A382 WeakPolarHBondContact O-CB 3.32Å; F378-A382 PolarHBondContact O-N 3.43Å; E379-A382 PolarHBondContact O-N 3.06Å; A382-A384 PolarHBondContact O-N 2.85Å; A382-S385 PolarHBondContact O-N 2.96Å; A382-M386 HydrophobicContact CB-CB 4.36Å; A382-M386 HydrophobicContact CB-CE 3.63Å; A382-M386 HydrophobicContact CB-SD 4.22Å; A382-M386 WeakPolarHBondContact O-CB 3.45Å; A382-M386 PolarHBondContact O-N 3.5Å; A382-W398 HydrophobicContact CB-CH2 4.28Å
383A96.8Very high94.7Very high64 Ų6459.6 Ų59.653%0.52932%0.323SS..Hα-helixtrans-64.5-18.4179.200000114.1E379E379-A383 WeakPolarHBondContact O-CB 3.34Å; E379-A383 PolarHBondContact O-N 3.45Å
384A96.9Very high95.2Very high70 Ų7057.9 Ų57.958%0.57932%0.317SS*.Hα-helixtrans-91.8-15.5-17900000114.8Q380 A381 A382Q380-A384 WeakPolarHBondContact O-CB 3.34Å; Q380-A384 PolarHBondContact O-N 3.43Å; A381-A384 PolarHBondContact O-N 3.39Å; A382-A384 PolarHBondContact O-N 2.85Å
385S96.6Very high95.5Very high19 Ų1955.1 Ų55.113%0.13330%0.298CS..Hα-helixtrans-164.2-4.3-171.857.90000117.6A381 A382 D387 Q388 W398 Q402A381-S385 PolarHBondContact O-OG 2.9Å; A382-S385 PolarHBondContact O-N 2.96Å; S385-D387 WeakPolarHBondContact CA-OD1 3.49Å; S385-D387 PolarHBondContact O-N 3.4Å; S385-Q388 WeakPolarHBondContact O-CB 3.39Å; S385-Q388 PolarHBondContact O-N 3.01Å; S385-W398 PolarHBondContact O-NE1 3.1Å; S385-W398 PolarHBondContact OG-NE1 3.21Å; S385-Q402 PolarHBondContact OG-NE2 3.39Å
386M96.7Very high95.8Very high2 Ų254.9 Ų54.91%0.0130%0.295CS..G310 helixtrans-71.6-22.4-178.4-175-179.8-7500112.5L358 Q359 R362 F378 A382 Q388 V389 W398L358-M386 HydrophobicContact CB-CE 3.86Å; L358-M386 HydrophobicContact CB-CG 4.25Å; L358-M386 HydrophobicContact CB-SD 3.93Å; L358-M386 HydrophobicContact CD1-CG 4.4Å; L358-M386 HydrophobicContact CD2-CE 4.41Å; Q359-M386 HydrophobicContact CG-SD 4.47Å; R362-M386 HydrophobicContact CB-CE 4.15Å; R362-M386 HydrophobicContact CB-SD 4.11Å; R362-M386 HydrophobicContact CG-SD 4.5Å; F378-M386 HydrophobicContact CE1-CE 4.19Å; F378-M386 HydrophobicContact CZ-CE 4.21Å; A382-M386 HydrophobicContact CB-CB 4.36Å; A382-M386 HydrophobicContact CB-CE 3.63Å; A382-M386 HydrophobicContact CB-SD 4.22Å; A382-M386 WeakPolarHBondContact O-CB 3.45Å; A382-M386 PolarHBondContact O-N 3.5Å; M386-Q388 PolarHBondContact O-N 3.43Å; M386-V389 WeakPolarHBondContact O-CB 3.46Å; M386-V389 PolarHBondContact O-N 3.49Å; M386-W398 HydrophobicContact CB-CH2 4.39Å; M386-W398 HydrophobicContact CB-CZ2 3.91Å; M386-W398 HydrophobicContact CE-CE3 4.33Å; M386-W398 HydrophobicContact CE-CH2 3.33Å; M386-W398 HydrophobicContact CE-CZ2 4.05Å; M386-W398 HydrophobicContact CE-CZ3 3.5Å
387D94.3Very high96.1Very high118 Ų11851.4 Ų51.463%0.63128%0.284SS*.G310 helixtrans-68.4-17.7172.661.6-41000113.7S385S385-D387 WeakPolarHBondContact CA-OD1 3.49Å; S385-D387 PolarHBondContact O-N 3.4Å
388Q94.9Very high96.4Very high130 Ų13050.3 Ų50.361%0.60728%0.278SS*.G310 helixtrans-89.1-4.3177.8-61.4162.22700112.7S385 M386 T390S385-Q388 WeakPolarHBondContact O-CB 3.39Å; S385-Q388 PolarHBondContact O-N 3.01Å; M386-Q388 PolarHBondContact O-N 3.43Å; Q388-T390 PolarHBondContact O-N 2.94Å
389V96.2Very high96.5Very high5 Ų549.6 Ų49.63%0.0328%0.275CS..  trans-78.4112.7176.5179.60000108.6A355 L358 M386 D394 E395 W398A355-V389 HydrophobicContact CB-CB 4.07Å; A355-V389 HydrophobicContact CB-CG1 3.72Å; L358-V389 HydrophobicContact CD1-CG1 4.24Å; L358-V389 HydrophobicContact CD1-CG2 4.08Å; M386-V389 WeakPolarHBondContact O-CB 3.46Å; M386-V389 PolarHBondContact O-N 3.49Å; V389-D394 HydrophobicContact CG1-CB 3.85Å; V389-E395 HydrophobicContact CG1-CB 4.03Å; V389-E395 HydrophobicContact CG1-CG 4.47Å; V389-W398 HydrophobicContact CG2-CB 3.78Å; V389-W398 HydrophobicContact CG2-CD2 4.38Å; V389-W398 HydrophobicContact CG2-CG 3.65Å
390T90.9Very high96.5Very high115 Ų11548 Ų4871%0.70627%0.268SS*.  trans-118.4-12.5-174.365.30000114.4Q388Q388-T390 PolarHBondContact O-N 2.94Å
391S95.3Very high96.6Very high44 Ų4446.1 Ų46.131%0.30826%0.261SS..SBendtrans-130.6163.117875.20000112.3E393 D394 E395S391-E393 VanDerWaalsContact C-N 3.26Å; S391-E393 PolarHBondContact O-N 3.24Å; S391-D394 WeakPolarHBondContact CB-OD2 3.32Å; S391-D394 PolarHBondContact N-OD2 3.39Å; S391-D394 VanDerWaalsContact N-OD2 3.1Å; S391-D394 WeakPolarHBondContact O-CB 3.34Å; S391-D394 PolarHBondContact O-N 3.07Å; S391-D394 PolarHBondContact OG-N 3.34Å; S391-D394 VanDerWaalsContact OG-N 3.09Å; S391-D394 PolarHBondContact OG-OD2 2.98Å; S391-E395 PolarHBondContact O-N 3.29Å
392R95.6Very high96.7Very high104 Ų10445.4 Ų45.439%0.39225%0.254SS..Hα-helixtrans-65.3-30.2174.7-66.2176.7-65.5-86-6112.4H338 D339 E395 V396H338-R392 WeakPolarHBondContact O-CD 3.27Å; D339-R392 HydrophobicContact CB-CB 4.06Å; R392-E395 WeakPolarHBondContact O-CB 3.22Å; R392-E395 PolarHBondContact O-N 3.26Å; R392-V396 WeakPolarHBondContact O-CG2 3.45Å; R392-V396 PolarHBondContact O-N 2.84Å
393E97.3Very high96.8Very high86 Ų8647.1 Ų47.140%0.40226%0.261SS..Hα-helixtrans-68-42.5173.8-57.8-160.8140.400111.1S391 E395 V396 L397 L453 R457S391-E393 VanDerWaalsContact C-N 3.26Å; S391-E393 PolarHBondContact O-N 3.24Å; E393-E395 VanDerWaalsContact C-N 3.28Å; E393-E395 PolarHBondContact O-N 2.94Å; E393-V396 PolarHBondContact O-N 2.88Å; E393-L397 WeakPolarHBondContact O-CB 3.49Å; E393-L397 WeakPolarHBondContact O-CG 3.31Å; E393-L397 PolarHBondContact O-N 3.47Å; E393-L453 HydrophobicContact CB-CD2 3.8Å; E393-L453 HydrophobicContact CG-CD2 3.88Å; E393-R457 IonicContact OE1-CZ 3.57Å; E393-R457 IonicContact OE1-NH1 2.76Å; E393-R457 PolarHBondContact OE1-NH1 3.48Å; E393-R457 IonicContact OE1-NH2 3.87Å; E393-R457 PolarHBondContact OE1-NH2 3.37Å
394D96.7Very high96.7Very high63 Ų6344.6 Ų44.634%0.33724%0.239SC..Hα-helixtrans-63-35.4171.6-58.9-45.9000111.5V389 S391 L397 W398V389-D394 HydrophobicContact CG1-CB 3.85Å; S391-D394 WeakPolarHBondContact CB-OD2 3.32Å; S391-D394 PolarHBondContact N-OD2 3.39Å; S391-D394 VanDerWaalsContact N-OD2 3.1Å; S391-D394 WeakPolarHBondContact O-CB 3.34Å; S391-D394 PolarHBondContact O-N 3.07Å; S391-D394 PolarHBondContact OG-N 3.34Å; S391-D394 VanDerWaalsContact OG-N 3.09Å; S391-D394 PolarHBondContact OG-OD2 2.98Å; D394-L397 PolarHBondContact O-N 3.23Å; D394-W398 WeakPolarHBondContact O-CA 3.3Å; D394-W398 WeakPolarHBondContact O-CB 3.47Å; D394-W398 PolarHBondContact O-N 3.29Å
395E97.4Very high96.6Very high1 Ų148.3 Ų48.31%0.00524%0.238CC..Hα-helixtrans-62.7-44.8179.5-161.4176.2-151.600111.4T335 H338 A355 V357 L358 V389 S391 R392 E393 L399T335-E395 HydrophobicContact CG2-CG 3.99Å; H338-E395 IonicContact CE1-OE2 3.56Å; H338-E395 IonicContact CG-OE2 3.36Å; H338-E395 IonicContact ND1-OE2 3.59Å; H338-E395 PolarHBondContact ND1-OE2 3.42Å; A355-E395 WeakPolarHBondContact CA-OE1 3.31Å; A355-E395 HydrophobicContact CB-CG 4.31Å; V357-E395 WeakPolarHBondContact CA-OE1 3.39Å; V357-E395 VanDerWaalsContact CB-OE1 3.3Å; V357-E395 WeakPolarHBondContact CB-OE1 3.07Å; V357-E395 PolarHBondContact N-OE1 3.01Å; L358-E395 HydrophobicContact CB-CG 4.39Å; L358-E395 HydrophobicContact CD1-CG 3.7Å; L358-E395 HydrophobicContact CG-CG 3.57Å; L358-E395 PolarHBondContact N-OE1 3.45Å; V389-E395 HydrophobicContact CG1-CB 4.03Å; V389-E395 HydrophobicContact CG1-CG 4.47Å; S391-E395 PolarHBondContact O-N 3.29Å; R392-E395 WeakPolarHBondContact O-CB 3.22Å; R392-E395 PolarHBondContact O-N 3.26Å; E393-E395 VanDerWaalsContact C-N 3.28Å; E393-E395 PolarHBondContact O-N 2.94Å; E395-L399 PolarHBondContact O-N 3.3Å
396V98.6Very high96.4Very high1 Ų148.8 Ų48.81%0.00624%0.24CC..Hα-helixtrans-64.1-48.9173.7172.60000111.3V336 D339 R392 E393 W400 L453 L456V336-V396 HydrophobicContact CG2-CG1 3.97Å; V336-V396 HydrophobicContact CG2-CG2 3.98Å; D339-V396 HydrophobicContact CB-CG2 4.19Å; R392-V396 WeakPolarHBondContact O-CG2 3.45Å; R392-V396 PolarHBondContact O-N 2.84Å; E393-V396 PolarHBondContact O-N 2.88Å; V396-W400 PolarHBondContact O-N 2.88Å; V396-L453 HydrophobicContact CB-CD1 4.07Å; V396-L453 HydrophobicContact CG1-CD1 3.77Å; V396-L456 HydrophobicContact CG1-CB 3.87Å; V396-L456 HydrophobicContact CG1-CD1 3.64Å; V396-L456 HydrophobicContact CG1-CG 4.35Å
397L98.6Very high96.1Very high28 Ų2849.3 Ų49.315%0.14724%0.243CC..Hα-helixtrans-70.7-36.5-176.8-73.9172.5000113.3E393 D394 W400 N401 V452 L453 L456E393-L397 WeakPolarHBondContact O-CB 3.49Å; E393-L397 WeakPolarHBondContact O-CG 3.31Å; E393-L397 PolarHBondContact O-N 3.47Å; D394-L397 PolarHBondContact O-N 3.23Å; L397-W400 HydrophobicContact CD2-CE3 4.14Å; L397-W400 PolarHBondContact O-N 3.45Å; L397-N401 VanDerWaalsContact O-CB 3.32Å; L397-N401 WeakPolarHBondContact O-CB 3.43Å; L397-N401 PolarHBondContact O-N 2.87Å; L397-V452 HydrophobicContact CD2-CB 4.47Å; L397-V452 HydrophobicContact CD2-CG1 3.83Å; L397-L453 HydrophobicContact CD1-CB 4.49Å; L397-L453 HydrophobicContact CD2-CB 4.18Å; L397-L453 HydrophobicContact CG-CB 4.44Å; L397-L453 HydrophobicContact CG-CD1 4.41Å; L397-L456 HydrophobicContact CD2-CD1 4.23Å
398W98.4Very high95.8Very high23 Ų2348 Ų489%0.08724%0.24CC..Hα-helixtrans-63.1-46.9177.3-174.598.8000110.4L358 F378 A382 S385 M386 V389 D394 W400 N401 Q402L358-W398 HydrophobicContact CD1-CB 4.2Å; L358-W398 HydrophobicContact CD1-CD2 3.96Å; L358-W398 HydrophobicContact CD1-CE3 3.56Å; L358-W398 HydrophobicContact CD1-CG 4.25Å; L358-W398 HydrophobicContact CD1-CZ3 4.28Å; L358-W398 HydrophobicContact CD2-CE3 3.64Å; L358-W398 HydrophobicContact CD2-CZ3 3.83Å; L358-W398 HydrophobicContact CG-CE3 4.26Å; F378-W398 HydrophobicContact CE2-CZ3 4.41Å; F378-W398 HydrophobicContact CZ-CH2 4.36Å; F378-W398 HydrophobicContact CZ-CZ3 4.17Å; A382-W398 HydrophobicContact CB-CH2 4.28Å; S385-W398 PolarHBondContact O-NE1 3.1Å; S385-W398 PolarHBondContact OG-NE1 3.21Å; M386-W398 HydrophobicContact CB-CH2 4.39Å; M386-W398 HydrophobicContact CB-CZ2 3.91Å; M386-W398 HydrophobicContact CE-CE3 4.33Å; M386-W398 HydrophobicContact CE-CH2 3.33Å; M386-W398 HydrophobicContact CE-CZ2 4.05Å; M386-W398 HydrophobicContact CE-CZ3 3.5Å; V389-W398 HydrophobicContact CG2-CB 3.78Å; V389-W398 HydrophobicContact CG2-CD2 4.38Å; V389-W398 HydrophobicContact CG2-CG 3.65Å; D394-W398 WeakPolarHBondContact O-CA 3.3Å; D394-W398 WeakPolarHBondContact O-CB 3.47Å; D394-W398 PolarHBondContact O-N 3.29Å; W398-W400 VanDerWaalsContact C-N 3.33Å; W398-W400 PolarHBondContact O-N 3.34Å; W398-N401 PolarHBondContact O-N 3.28Å; W398-Q402 HydrophobicContact CD2-CG 3.77Å; W398-Q402 HydrophobicContact CE3-CG 3.79Å; W398-Q402 HydrophobicContact CH2-CB 4.49Å; W398-Q402 HydrophobicContact CH2-CG 3.57Å; W398-Q402 HydrophobicContact CZ2-CG 3.53Å; W398-Q402 HydrophobicContact CZ3-CB 4.38Å; W398-Q402 HydrophobicContact CZ3-CG 3.7Å; W398-Q402 WeakPolarHBondContact O-CG 3.37Å; W398-Q402 PolarHBondContact O-N 3.01Å
399L98.7Very high95.5Very high0 Ų047 Ų470%023%0.23CC..Hα-helixtrans-61.7-43.4179.4-167.461.9000111.4W328 F331 H332 T335 L358 M361 E395 H403W328-L399 HydrophobicContact CE3-CD1 4.22Å; W328-L399 HydrophobicContact CZ3-CD1 3.6Å; W328-L399 HydrophobicContact CZ3-CG 4.2Å; F331-L399 HydrophobicContact CB-CD2 3.95Å; H332-L399 VanDerWaalsContact CE1-CG 3.5Å; H332-L399 WeakPolarHBondContact CE1-CG 3.43Å; T335-L399 HydrophobicContact CG2-CD2 3.89Å; L358-L399 HydrophobicContact CD2-CB 4.02Å; L358-L399 HydrophobicContact CD2-CD1 3.72Å; L358-L399 HydrophobicContact CD2-CG 4.29Å; M361-L399 HydrophobicContact CE-CD1 3.92Å; M361-L399 HydrophobicContact SD-CD1 3.45Å; M361-L399 WeakPolarHBondContact SD-CD1 3.34Å; M361-L399 HydrophobicContact SD-CD2 4.45Å; E395-L399 PolarHBondContact O-N 3.3Å; L399-H403 WeakPolarHBondContact O-CB 3.24Å; L399-H403 PolarHBondContact O-N 2.8Å
400W98.7Very high94.9Very high4 Ų448.6 Ų48.62%0.01524%0.239CC..Hα-helixtrans-60.5-47.6175.7163.979.2000112V396 L397 W398 H403 N404 W428 W447 V452 L456V396-W400 PolarHBondContact O-N 2.88Å; L397-W400 HydrophobicContact CD2-CE3 4.14Å; L397-W400 PolarHBondContact O-N 3.45Å; W398-W400 VanDerWaalsContact C-N 3.33Å; W398-W400 PolarHBondContact O-N 3.34Å; W400-H403 PolarHBondContact O-N 2.94Å; W400-N404 VanDerWaalsContact CE2-ND2 3.27Å; W400-N404 WeakPolarHBondContact CZ2-ND2 3.21Å; W400-N404 PolarHBondContact NE1-ND2 3.11Å; W400-N404 VanDerWaalsContact NE1-ND2 3.18Å; W400-N404 PolarHBondContact O-N 2.68Å; W400-W428 PolarHBondContact NE1-O 3.35Å; W400-W447 HydrophobicContact CH2-CB 3.98Å; W400-W447 AromaticContact CH2-CD1 3.83Å; W400-W447 AromaticContact CH2-CD2 3.65Å; W400-W447 HydrophobicContact CH2-CD2 3.65Å; W400-W447 AromaticContact CH2-CE2 3.91Å; W400-W447 HydrophobicContact CH2-CE3 4.17Å; W400-W447 AromaticContact CH2-CG 3.58Å; W400-W447 HydrophobicContact CH2-CG 3.58Å; W400-W447 AromaticContact CZ2-CD2 3.57Å; W400-W447 HydrophobicContact CZ2-CD2 3.57Å; W400-W447 AromaticContact CZ2-CE2 3.65Å; W400-W447 AromaticContact CZ2-CE3 3.76Å; W400-W447 HydrophobicContact CZ2-CE3 3.76Å; W400-W447 HydrophobicContact CZ2-CG 4.04Å; W400-W447 HydrophobicContact CZ2-CH2 4.1Å; W400-W447 AromaticContact CZ2-CZ2 3.92Å; W400-W447 HydrophobicContact CZ2-CZ2 3.92Å; W400-W447 HydrophobicContact CZ2-CZ3 4.03Å; W400-V452 HydrophobicContact CD2-CG1 3.65Å; W400-V452 HydrophobicContact CE3-CG1 3.9Å; W400-V452 HydrophobicContact CG-CG1 4.26Å; W400-V452 HydrophobicContact CH2-CG1 3.98Å; W400-V452 HydrophobicContact CH2-CG2 4.14Å; W400-V452 HydrophobicContact CZ2-CB 4.49Å; W400-V452 HydrophobicContact CZ2-CG1 3.71Å; W400-V452 HydrophobicContact CZ2-CG2 3.94Å; W400-V452 HydrophobicContact CZ3-CG1 4.06Å; W400-L456 HydrophobicContact CB-CD1 3.74Å; W400-L456 HydrophobicContact CB-CD2 4.34Å; W400-L456 HydrophobicContact CD2-CD1 4.46Å; W400-L456 HydrophobicContact CG-CD1 3.84Å; W400-L456 HydrophobicContact CG-CD2 4.3Å
401N98.1Very high94.5Very high69 Ų6945 Ų4537%0.36922%0.221SC..Hα-helixtrans-63.3-47179.7-175.821.4000111.7L397 W398 H403 N404 R405L397-N401 VanDerWaalsContact O-CB 3.32Å; L397-N401 WeakPolarHBondContact O-CB 3.43Å; L397-N401 PolarHBondContact O-N 2.87Å; W398-N401 PolarHBondContact O-N 3.28Å; N401-H403 VanDerWaalsContact C-N 3.34Å; N401-H403 PolarHBondContact O-N 3.03Å; N401-N404 PolarHBondContact O-N 2.82Å; N401-R405 WeakPolarHBondContact O-CG 3.39Å; N401-R405 PolarHBondContact O-N 2.86Å
402Q97.9Very high92.8Very high8 Ų846.3 Ų46.34%0.03724%0.24CC..Hα-helixtrans-64.7-37.4177-56.7-49-26.100112.1A381 S385 W398 N404 R405 V406A381-Q402 HydrophobicContact CB-CG 4.49Å; S385-Q402 PolarHBondContact OG-NE2 3.39Å; W398-Q402 HydrophobicContact CD2-CG 3.77Å; W398-Q402 HydrophobicContact CE3-CG 3.79Å; W398-Q402 HydrophobicContact CH2-CB 4.49Å; W398-Q402 HydrophobicContact CH2-CG 3.57Å; W398-Q402 HydrophobicContact CZ2-CG 3.53Å; W398-Q402 HydrophobicContact CZ3-CB 4.38Å; W398-Q402 HydrophobicContact CZ3-CG 3.7Å; W398-Q402 WeakPolarHBondContact O-CG 3.37Å; W398-Q402 PolarHBondContact O-N 3.01Å; Q402-N404 VanDerWaalsContact C-N 3.31Å; Q402-N404 PolarHBondContact O-N 2.88Å; Q402-R405 PolarHBondContact O-N 3.36Å; Q402-V406 WeakPolarHBondContact O-CG2 3.23Å; Q402-V406 PolarHBondContact O-N 3.39Å
403H97.7Very high90.9Very high35 Ų3542.5 Ų42.516%0.16223%0.234CC..Hα-helixtrans-61.4-40.6174.8-166.3-168.9000111.2W328 H332 L399 W400 N401 V406 N407W328-H403 AromaticContact CD1-NE2 3.76Å; W328-H403 AromaticContact CD2-CD2 3.7Å; W328-H403 AromaticContact CD2-CG 3.89Å; W328-H403 AromaticContact CD2-NE2 3.81Å; W328-H403 AromaticContact CE2-CD2 3.74Å; W328-H403 HydrophobicContact CE3-CB 3.95Å; W328-H403 AromaticContact CE3-CG 3.74Å; W328-H403 AromaticContact CE3-ND1 3.97Å; W328-H403 AromaticContact CG-CE1 3.77Å; W328-H403 AromaticContact CG-NE2 3.66Å; W328-H403 HydrophobicContact CH2-CB 4.11Å; W328-H403 HydrophobicContact CZ3-CB 3.71Å; W328-H403 AromaticContact CZ3-CG 3.99Å; W328-H403 AromaticContact NE1-NE2 4Å; H332-H403 AromaticContact CD2-ND1 3.96Å; H332-H403 AromaticContact NE2-CG 3.9Å; H332-H403 AromaticContact NE2-ND1 3.26Å; H332-H403 PolarHBondContact NE2-ND1 3.26Å; L399-H403 WeakPolarHBondContact O-CB 3.24Å; L399-H403 PolarHBondContact O-N 2.8Å; W400-H403 PolarHBondContact O-N 2.94Å; N401-H403 VanDerWaalsContact C-N 3.34Å; N401-H403 PolarHBondContact O-N 3.03Å; H403-V406 WeakPolarHBondContact O-CB 3.31Å; H403-V406 PolarHBondContact O-N 3.02Å; H403-N407 PolarHBondContact O-N 3.49Å; H403-N407 PolarHBondContact O-ND2 3.28Å
404N96.3Very high88.6Confident11 Ų1144.9 Ų44.96%0.05926%0.257CS..Hα-helixtrans-65.2-38.3173.4-89.3-28.8000113.6W400 N401 Q402 V406 N407 T408 W428W400-N404 VanDerWaalsContact CE2-ND2 3.27Å; W400-N404 WeakPolarHBondContact CZ2-ND2 3.21Å; W400-N404 PolarHBondContact NE1-ND2 3.11Å; W400-N404 VanDerWaalsContact NE1-ND2 3.18Å; W400-N404 PolarHBondContact O-N 2.68Å; N401-N404 PolarHBondContact O-N 2.82Å; Q402-N404 VanDerWaalsContact C-N 3.31Å; Q402-N404 PolarHBondContact O-N 2.88Å; N404-V406 VanDerWaalsContact C-N 3.27Å; N404-V406 PolarHBondContact O-N 2.87Å; N404-N407 WeakPolarHBondContact O-CB 3.45Å; N404-N407 PolarHBondContact O-N 2.84Å; N404-T408 PolarHBondContact O-N 2.87Å; N404-T408 PolarHBondContact O-OG1 3.47Å; N404-W428 PolarHBondContact ND2-O 3.18Å; N404-W428 PolarHBondContact OD1-N 3.42Å; N404-W428 PolarHBondContact OD1-O 3.42Å
405R94.6Very high86.4Confident148 Ų14843.2 Ų43.256%0.55825%0.254SS*.Hα-helixtrans-63.8-34.6173.2-64.9172.489.9-163.912.2111.8N401 Q402 R409N401-R405 WeakPolarHBondContact O-CG 3.39Å; N401-R405 PolarHBondContact O-N 2.86Å; Q402-R405 PolarHBondContact O-N 3.36Å; R405-R409 WeakPolarHBondContact O-CB 3.39Å; R405-R409 PolarHBondContact O-N 3.28Å; R405-R409 VanDerWaalsContact O-N 3.15Å
406V92.5Very high84.6Confident29 Ų2945.4 Ų45.418%0.17627%0.27CS..Hα-helixtrans-66.8-44.1171.11730000111.3W328 Q402 H403 N404 R409 L410W328-V406 HydrophobicContact CZ2-CG2 4.4Å; Q402-V406 WeakPolarHBondContact O-CG2 3.23Å; Q402-V406 PolarHBondContact O-N 3.39Å; H403-V406 WeakPolarHBondContact O-CB 3.31Å; H403-V406 PolarHBondContact O-N 3.02Å; N404-V406 VanDerWaalsContact C-N 3.27Å; N404-V406 PolarHBondContact O-N 2.87Å; V406-R409 PolarHBondContact O-N 3.22Å; V406-L410 HydrophobicContact CG1-CD1 3.76Å; V406-L410 HydrophobicContact CG1-CG 4.35Å; V406-L410 WeakPolarHBondContact O-CG 3.36Å; V406-L410 PolarHBondContact O-N 3.1Å
407N88.9Confident83.1Confident14 Ų1453.2 Ų53.28%0.07531%0.311CS..Hα-helixtrans-57.3-51.2175.5-69.5-27.2000111.2H403 N404 R409 L410 A411 K425H403-N407 PolarHBondContact O-N 3.49Å; H403-N407 PolarHBondContact O-ND2 3.28Å; N404-N407 WeakPolarHBondContact O-CB 3.45Å; N404-N407 PolarHBondContact O-N 2.84Å; N407-R409 VanDerWaalsContact C-N 3.3Å; N407-R409 PolarHBondContact O-N 3.31Å; N407-L410 PolarHBondContact O-N 3.48Å; N407-L410 VanDerWaalsContact O-N 3.14Å; N407-A411 WeakPolarHBondContact O-CB 3.43Å; N407-A411 PolarHBondContact O-N 3.39Å; N407-K425 HydrophobicContact CB-CB 4.28Å; N407-K425 WeakPolarHBondContact O-CB 3.42Å
408T89.3Confident82Confident91 Ų9155 Ų5556%0.55833%0.325SS*.Hα-helixtrans-59.6-37.3178.2-56.70000112.9N404N404-T408 PolarHBondContact O-N 2.87Å; N404-T408 PolarHBondContact O-OG1 3.47Å
409R87.7Confident81Confident109 Ų10955.1 Ų55.141%0.41133%0.328SS..Hα-helixtrans-69.6-32.9177.2-175.9-179.466.5-147-2113.1H377 R405 V406 N407H377-R409 PolarHBondContact CD2-NH1 3.07Å; H377-R409 VanDerWaalsContact CD2-NH1 3.32Å; R405-R409 WeakPolarHBondContact O-CB 3.39Å; R405-R409 PolarHBondContact O-N 3.28Å; R405-R409 VanDerWaalsContact O-N 3.15Å; V406-R409 PolarHBondContact O-N 3.22Å; N407-R409 VanDerWaalsContact C-N 3.3Å; N407-R409 PolarHBondContact O-N 3.31Å
410L83.8Confident80.2Confident38 Ų3855.3 Ų55.320%0.19933%0.329CS..Hα-helixtrans-88.9-22-177.1-68.3178.8000113V406 N407 G412 K425V406-L410 HydrophobicContact CG1-CD1 3.76Å; V406-L410 HydrophobicContact CG1-CG 4.35Å; V406-L410 WeakPolarHBondContact O-CG 3.36Å; V406-L410 PolarHBondContact O-N 3.1Å; N407-L410 PolarHBondContact O-N 3.48Å; N407-L410 VanDerWaalsContact O-N 3.14Å; L410-G412 PolarHBondContact O-N 2.71Å; L410-K425 HydrophobicContact CB-CG 3.83Å
411A81.6Confident79.4Confident40 Ų4059.5 Ų59.533%0.33136%0.357SS..SBendtrans-61.3117.1175.100000111.7N407 G413 K425N407-A411 WeakPolarHBondContact O-CB 3.43Å; N407-A411 PolarHBondContact O-N 3.39Å; A411-G413 PolarHBondContact O-N 2.8Å; A411-K425 HydrophobicContact CB-CB 3.88Å
412G60.5Low78.6Confident70 Ų7059.1 Ų59.172%0.72236%0.357SS*.SBendtrans64.5-11.6167.400000118.5L410L410-G412 PolarHBondContact O-N 2.71Å
413G56.7Low78Confident25 Ų2559.7 Ų59.726%0.25836%0.362SS..SBendtrans-81.5-168.1179.400000114A411 G415 S416A411-G413 PolarHBondContact O-N 2.8Å; G413-G415 PolarHBondContact O-N 3.41Å; G413-S416 WeakPolarHBondContact O-CB 3.45Å; G413-S416 PolarHBondContact O-N 3.24Å; G413-S416 PolarHBondContact O-OG 2.99Å
414P47.7Very low77.4Confident136 Ų13661.9 Ų61.988%0.88338%0.379SS*.G310 helixtrans-58.6-19.1174.9-26.236000114.9S416P414-S416 VanDerWaalsContact C-N 3.31Å
415G50.8Low77Confident27 Ų2764.1 Ų64.128%0.27839%0.388SS..G310 helixtrans-78.3-6.8171.100000115.1G413 L417 S418G413-G415 PolarHBondContact O-N 3.41Å; G415-L417 PolarHBondContact O-N 2.83Å; G415-L417 VanDerWaalsContact O-N 3.16Å; G415-S418 PolarHBondContact O-N 2.87Å; G415-S418 PolarHBondContact O-OG 2.99Å
416S59.4Low76.5Confident48 Ų4859.7 Ų59.734%0.33638%0.383SS..G310 helixtrans-65.6-14.1-177.260.50000114.6G413 P414 S418 D419G413-S416 WeakPolarHBondContact O-CB 3.45Å; G413-S416 PolarHBondContact O-N 3.24Å; G413-S416 PolarHBondContact O-OG 2.99Å; P414-S416 VanDerWaalsContact C-N 3.31Å; S416-S418 PolarHBondContact O-N 2.69Å; S416-S418 VanDerWaalsContact O-N 3.14Å; S416-D419 WeakPolarHBondContact O-CB 3.42Å; S416-D419 PolarHBondContact O-N 3.43Å
417L66.9Low76.4Confident165 Ų16561.6 Ų61.686%0.86440%0.396SS*.G310 helixtrans-60.1-19.2167.8-63.5174000112.7G415G415-L417 PolarHBondContact O-N 2.83Å; G415-L417 VanDerWaalsContact O-N 3.16Å
418S74.9Confident76.7Confident65 Ų6563.6 Ų63.646%0.45540%0.403SS..G310 helixtrans-104.52.3172.769.10000113.9G415 S416G415-S418 PolarHBondContact O-N 2.87Å; G415-S418 PolarHBondContact O-OG 2.99Å; S416-S418 PolarHBondContact O-N 2.69Å; S416-S418 VanDerWaalsContact O-N 3.14Å
419D78.8Confident77Confident26 Ų2659.3 Ų59.314%0.13938%0.376CS..SBendtrans-85.7136.2172.4-163.314.5000109.7S416 P421 P424 K425S416-D419 WeakPolarHBondContact O-CB 3.42Å; S416-D419 PolarHBondContact O-N 3.43Å; D419-P421 WeakPolarHBondContact O-CD 3.1Å; D419-P424 WeakPolarHBondContact OD1-CA 3.22Å; D419-K425 HydrophobicContact CB-CG 4.49Å; D419-K425 WeakPolarHBondContact OD1-CD 3.3Å; D419-K425 VanDerWaalsContact OD1-CG 3.3Å; D419-K425 WeakPolarHBondContact OD1-CG 3.34Å; D419-K425 PolarHBondContact OD1-N 2.95Å; D419-K425 PolarHBondContact OD2-N 3.25Å
420D80.8Confident77.2Confident3 Ų356.5 Ų56.52%0.01637%0.373CS..BIsolated β-bridgetrans-91.7120.5-173.4-171.5-31.1000109.8G315 S316 L320 R321 V422 S423 P424G315-D420 VanDerWaalsContact CA-OD2 3.31Å; G315-D420 WeakPolarHBondContact CA-OD2 3.36Å; S316-D420 VanDerWaalsContact CB-OD1 3.28Å; S316-D420 WeakPolarHBondContact CB-OD1 3.45Å; S316-D420 PolarHBondContact N-OD2 2.98Å; S316-D420 VanDerWaalsContact OG-CG 3.3Å; S316-D420 PolarHBondContact OG-OD1 3.45Å; S316-D420 PolarHBondContact OG-OD2 3.46Å; L320-D420 HydrophobicContact CD1-CB 4.22Å; R321-D420 WeakPolarHBondContact CD-OD2 3.43Å; R321-D420 HydrophobicContact CG-CB 3.9Å; R321-D420 WeakPolarHBondContact CG-OD2 3.49Å; D420-V422 PolarHBondContact O-N 3.18Å; D420-V422 WeakPolarHBondContact OD1-CG2 3.49Å; D420-V422 PolarHBondContact OD1-N 3.29Å; D420-S423 CarbonylContact O-C 3.55Å; D420-S423 WeakPolarHBondContact O-CA 3.15Å; D420-S423 PolarHBondContact O-N 3.39Å; D420-P424 VanDerWaalsContact O-N 3.08Å
421P82Confident77.5Confident93 Ų9358.7 Ų58.760%0.60439%0.39SS*.THydrogen-bonded Turntrans-54.3-26.7-178.6-2835.9000115.2D419D419-P421 WeakPolarHBondContact O-CD 3.1Å
422V82.1Confident77.8Confident61 Ų6161.5 Ų61.537%0.3741%0.413SS..THydrogen-bonded Turntrans-92.9-9.4178.2-45.30000113.3W208 R213 D420W208-V422 HydrophobicContact CH2-CG2 3.63Å; W208-V422 HydrophobicContact CZ2-CG2 4.36Å; W208-V422 HydrophobicContact CZ3-CG2 4.2Å; R213-V422 PolarHBondContact NH2-O 2.75Å; D420-V422 PolarHBondContact O-N 3.18Å; D420-V422 WeakPolarHBondContact OD1-CG2 3.49Å; D420-V422 PolarHBondContact OD1-N 3.29Å
423S84.7Confident79.3Confident20 Ų2060.3 Ų60.314%0.1439%0.39CS..BIsolated β-bridgetrans-140.158.4177.9-610000111.3D420D420-S423 CarbonylContact O-C 3.55Å; D420-S423 WeakPolarHBondContact O-CA 3.15Å; D420-S423 PolarHBondContact O-N 3.39Å
424P85.4Confident81.1Confident80 Ų8059.5 Ų59.552%0.51938%0.38SS..  trans-62.4148.5-173.326.6-36.3000111.7D419 D420 A426D419-P424 WeakPolarHBondContact OD1-CA 3.22Å; D420-P424 VanDerWaalsContact O-N 3.08Å; P424-A426 PolarHBondContact O-N 3.09Å
425K87.1Confident83.4Confident58 Ų5857.5 Ų57.525%0.25237%0.367SS..  trans-68128.1178.3-61.8-35.3179.6176.50111.3N407 L410 A411 D419N407-K425 HydrophobicContact CB-CB 4.28Å; N407-K425 WeakPolarHBondContact O-CB 3.42Å; L410-K425 HydrophobicContact CB-CG 3.83Å; A411-K425 HydrophobicContact CB-CB 3.88Å; D419-K425 HydrophobicContact CB-CG 4.49Å; D419-K425 WeakPolarHBondContact OD1-CD 3.3Å; D419-K425 VanDerWaalsContact OD1-CG 3.3Å; D419-K425 WeakPolarHBondContact OD1-CG 3.34Å; D419-K425 PolarHBondContact OD1-N 2.95Å; D419-K425 PolarHBondContact OD2-N 3.25Å
426A85.4Confident85.6Confident55 Ų5558.8 Ų58.846%0.45538%0.375SS..  trans-145.3162.4174.200000109.6P424 W428P424-A426 PolarHBondContact O-N 3.09Å; A426-W428 PolarHBondContact O-N 2.93Å
427P89.8Confident87.4Confident70 Ų7056.5 Ų56.546%0.45536%0.359SS..SBendtrans-56.4132.9165.2-2032.4000110.1W447P427-W447 HydrophobicContact CB-CH2 4.38Å; P427-W447 HydrophobicContact CB-CZ2 3.82Å
428W94.6Very high88.7Confident56 Ų5650.4 Ų50.421%0.21233%0.326CS..SBendtrans-126142.6-172.9-175.893.6000111.2W400 N404 A426 L433 W447 F455 L456 H459 Y460W400-W428 PolarHBondContact NE1-O 3.35Å; N404-W428 PolarHBondContact ND2-O 3.18Å; N404-W428 PolarHBondContact OD1-N 3.42Å; N404-W428 PolarHBondContact OD1-O 3.42Å; A426-W428 PolarHBondContact O-N 2.93Å; W428-L433 HydrophobicContact CZ2-CD2 4.19Å; W428-W447 WeakPolarHBondContact O-CH2 3.33Å; W428-F455 AromaticContact CH2-CE1 3.46Å; W428-F455 HydrophobicContact CH2-CE1 3.46Å; W428-F455 VanDerWaalsContact CH2-CE1 3.46Å; W428-F455 HydrophobicContact CH2-CZ 4.01Å; W428-F455 AromaticContact CZ2-CE1 3.76Å; W428-F455 HydrophobicContact CZ2-CE1 3.76Å; W428-F455 AromaticContact CZ2-CZ 3.88Å; W428-F455 HydrophobicContact CZ2-CZ 3.88Å; W428-F455 AromaticContact CZ3-CE1 3.92Å; W428-F455 HydrophobicContact CZ3-CE1 3.92Å; W428-L456 HydrophobicContact CH2-CD2 4.18Å; W428-L456 HydrophobicContact CZ3-CD2 3.63Å; W428-H459 AromaticContact CH2-CD2 3.51Å; W428-H459 AromaticContact CH2-NE2 3.91Å; W428-H459 AromaticContact CZ2-CD2 3.61Å; W428-H459 AromaticContact CZ2-NE2 3.54Å; W428-Y460 AromaticContact CH2-CE2 3.62Å; W428-Y460 HydrophobicContact CH2-CE2 3.62Å; W428-Y460 AromaticContact CH2-CZ 3.72Å; W428-Y460 WeakPolarHBondContact CH2-OH 3.39Å; W428-Y460 AromaticContact CZ3-CE2 3.91Å; W428-Y460 HydrophobicContact CZ3-CE2 3.91Å
429P96.3Very high89.6Confident0 Ų052 Ų520%033%0.326CS..SBendcis-61.7161.9-3.627.7-36.1000112.7L433 C434 C437 H438 W447 F455P429-L433 HydrophobicContact CB-CB 4.27Å; P429-L433 HydrophobicContact CB-CD2 4.19Å; P429-L433 HydrophobicContact CB-CG 4.35Å; P429-C434 HydrophobicContact CB-CB 3.99Å; P429-C434 HydrophobicContact CG-CB 3.74Å; P429-C437 HydrophobicContact CG-CB 4.1Å; P429-H438 PolarHBondContact O-CE1 3.29Å; P429-H438 PolarHBondContact O-NE2 2.76Å; P429-W447 HydrophobicContact CG-CZ3 4.29Å; P429-W447 WeakPolarHBondContact O-CH2 3.48Å; P429-F455 HydrophobicContact CB-CD1 4.09Å; P429-F455 HydrophobicContact CB-CE1 3.55Å; P429-F455 HydrophobicContact CB-CE2 4.5Å; P429-F455 HydrophobicContact CB-CZ 3.8Å; P429-F455 HydrophobicContact CG-CD1 3.73Å; P429-F455 HydrophobicContact CG-CE1 3.7Å; P429-F455 HydrophobicContact CG-CG 4.41Å; P429-F455 HydrophobicContact CG-CZ 4.36Å
430S91.1Very high90.3Very high51 Ų5157.9 Ų57.936%0.35735%0.353SS..  trans-79158.2169.5650000110.4A432 L433 C434 H438S430-A432 PolarHBondContact O-N 3.37Å; S430-A432 VanDerWaalsContact O-N 3.11Å; S430-L433 PolarHBondContact O-N 3.34Å; S430-L433 PolarHBondContact OG-N 2.85Å; S430-C434 PolarHBondContact O-N 3.45Å; S430-H438 VanDerWaalsContact C-NE2 3.31Å
431P89.9Confident90.8Very high84 Ų8460.8 Ų60.855%0.54537%0.373SS..THydrogen-bonded Turntrans-57.6-27.2175.4-27.435.2000114P435 H438P431-P435 WeakPolarHBondContact O-CA 3.34Å; P431-P435 VanDerWaalsContact O-CD 3.26Å; P431-P435 WeakPolarHBondContact O-CD 3.36Å; P431-P435 VanDerWaalsContact O-CG 3.22Å; P431-P435 WeakPolarHBondContact O-CG 3.28Å; P431-H438 WeakPolarHBondContact CA-NE2 3.38Å
432A88Confident91.3Very high99 Ų9964.1 Ų64.182%0.81839%0.387SS*.THydrogen-bonded Turntrans-72-26.917400000113.4S430S430-A432 PolarHBondContact O-N 3.37Å; S430-A432 VanDerWaalsContact O-N 3.11Å
433L91.8Very high91.6Very high45 Ų4564 Ų6424%0.23640%0.397CS..THydrogen-bonded Turntrans-93.2-31.2-177.8-174.661000112.5W428 P429 S430 F455W428-L433 HydrophobicContact CZ2-CD2 4.19Å; P429-L433 HydrophobicContact CB-CB 4.27Å; P429-L433 HydrophobicContact CB-CD2 4.19Å; P429-L433 HydrophobicContact CB-CG 4.35Å; S430-L433 PolarHBondContact O-N 3.34Å; S430-L433 PolarHBondContact OG-N 2.85Å; L433-F455 HydrophobicContact CD1-CE2 4.34Å; L433-F455 HydrophobicContact CD2-CE2 4.27Å; L433-F455 HydrophobicContact CD2-CZ 3.71Å; L433-F455 HydrophobicContact CG-CE2 3.78Å; L433-F455 HydrophobicContact CG-CZ 3.74Å
434C96.1Very high91.7Very high7 Ų767.6 Ų67.65%0.04742%0.418CS..  trans-147.382.8171.6-1780000111.7P429 S430 A436 C437 H438 F455P429-C434 HydrophobicContact CB-CB 3.99Å; P429-C434 HydrophobicContact CG-CB 3.74Å; S430-C434 PolarHBondContact O-N 3.45Å; C434-A436 VanDerWaalsContact C-N 3.27Å; C434-A436 PolarHBondContact O-N 3.02Å; C434-C437 HydrophobicContact CB-CB 3.75Å; C434-C437 WeakPolarHBondContact CB-SG 3.23Å; C434-C437 VanDerWaalsContact O-CB 3.32Å; C434-C437 WeakPolarHBondContact O-CB 3.37Å; C434-C437 PolarHBondContact O-N 3.4Å; C434-C437 WeakPolarHBondContact SG-CB 3.29Å; C434-C437 PolarHBondContact SG-N 3.37Å; C434-C437 CovalentContact SG-SG 2.04Å; C434-C437 PolarHBondContact SG-SG 3.3Å; C434-H438 PolarHBondContact O-CD2 2.84Å; C434-F455 HydrophobicContact CB-CB 4.35Å; C434-F455 HydrophobicContact CB-CD1 4.5Å; C434-F455 HydrophobicContact CB-CD2 3.75Å; C434-F455 HydrophobicContact CB-CE2 4.23Å; C434-F455 HydrophobicContact CB-CG 3.92Å
435P95.6Very high92Very high95 Ų9568.4 Ų68.462%0.61742%0.415SS*.G310 helixtrans-54-43.6179.7-2429.6000112.9P431 C437 H438P431-P435 WeakPolarHBondContact O-CA 3.34Å; P431-P435 VanDerWaalsContact O-CD 3.26Å; P431-P435 WeakPolarHBondContact O-CD 3.36Å; P431-P435 VanDerWaalsContact O-CG 3.22Å; P431-P435 WeakPolarHBondContact O-CG 3.28Å; P435-C437 PolarHBondContact O-N 2.77Å; P435-H438 PolarHBondContact O-N 2.83Å; P435-H438 VanDerWaalsContact O-N 3.17Å
436A96.8Very high92.3Very high54 Ų5468.5 Ų68.545%0.44642%0.42SS..G310 helixtrans-68.3-11.5-17900000114.7C434 H438 N451C434-A436 VanDerWaalsContact C-N 3.27Å; C434-A436 PolarHBondContact O-N 3.02Å; A436-H438 VanDerWaalsContact C-N 3.29Å; A436-N451 HydrophobicContact CB-CB 4.3Å; A436-N451 WeakPolarHBondContact O-CB 3.33Å; A436-N451 PolarHBondContact O-ND2 3.01Å
437C96.9Very high92.8Very high0 Ų068 Ų680%041%0.406CS..G310 helixtrans-75.8-19.4174.6-68.10000112.4P429 C434 P435 W447 N448 V452P429-C437 HydrophobicContact CG-CB 4.1Å; C434-C437 HydrophobicContact CB-CB 3.75Å; C434-C437 WeakPolarHBondContact CB-SG 3.23Å; C434-C437 VanDerWaalsContact O-CB 3.32Å; C434-C437 WeakPolarHBondContact O-CB 3.37Å; C434-C437 PolarHBondContact O-N 3.4Å; C434-C437 WeakPolarHBondContact SG-CB 3.29Å; C434-C437 PolarHBondContact SG-N 3.37Å; C434-C437 CovalentContact SG-SG 2.04Å; C434-C437 PolarHBondContact SG-SG 3.3Å; P435-C437 PolarHBondContact O-N 2.77Å; C437-W447 HydrophobicContact CB-CE3 4.38Å; C437-W447 HydrophobicContact CB-CZ3 4.28Å; C437-N448 PolarHBondContact O-N 3.39Å; C437-V452 HydrophobicContact CB-CG2 3.74Å
438H94.8Very high93.2Very high36 Ų3666.2 Ų66.217%0.16739%0.393CS..EExtended strand (participates in β ladder)trans-108.6133.3-174.5-55.2-89000110.9P429 S430 P431 C434 P435 A436 H445 W447P429-H438 PolarHBondContact O-CE1 3.29Å; P429-H438 PolarHBondContact O-NE2 2.76Å; S430-H438 VanDerWaalsContact C-NE2 3.31Å; P431-H438 WeakPolarHBondContact CA-NE2 3.38Å; C434-H438 PolarHBondContact O-CD2 2.84Å; P435-H438 PolarHBondContact O-N 2.83Å; P435-H438 VanDerWaalsContact O-N 3.17Å; A436-H438 VanDerWaalsContact C-N 3.29Å; H438-H445 AromaticContact ND1-CD2 3.81Å; H438-H445 AromaticContact ND1-NE2 3.9Å; H438-W447 AromaticContact CE1-CH2 3.45Å; H438-W447 VanDerWaalsContact CE1-CH2 3.45Å; H438-W447 WeakPolarHBondContact CE1-CH2 3.31Å; H438-W447 AromaticContact CE1-CZ3 3.23Å; H438-W447 WeakPolarHBondContact CE1-CZ3 3.45Å; H438-W447 AromaticContact ND1-CZ3 3.63Å; H438-W447 AromaticContact NE2-CZ3 3.84Å
439E93.5Very high93.3Very high98 Ų9868.5 Ų68.546%0.45841%0.406SS..EExtended strand (participates in β ladder)trans-129.4167.6172.5-69.4178.717700109.5H445 V446 N448E439-H445 WeakPolarHBondContact O-CA 3.33Å; E439-V446 PolarHBondContact N-O 3.36Å; E439-V446 PolarHBondContact O-N 2.76Å; E439-N448 HydrophobicContact CG-CB 4.17Å; E439-N448 PolarHBondContact OE1-ND2 2.83Å
440E94.1Very high93.4Very high151 Ų15171.8 Ų71.871%0.70643%0.433SS*.EExtended strand (participates in β ladder)trans-127.4131172.7-167.9-178.1110.900109.1G443 V444E440-G443 WeakPolarHBondContact OE1-CA 3.49Å; E440-V444 WeakPolarHBondContact CA-O 3.49Å
441S91.8Very high93.7Very high63 Ų6372.2 Ų72.244%0.44143%0.432SS..EExtended strand (participates in β ladder)trans-129.1120.8175.6-1740000108.7G443 V444S441-G443 VanDerWaalsContact C-N 3.26Å; S441-G443 PolarHBondContact O-N 2.73Å; S441-V444 PolarHBondContact N-O 3.05Å; S441-V444 PolarHBondContact O-N 2.97Å
442N92.3Very high94.1Very high164 Ų16468.2 Ų68.288%0.87741%0.406SS*.THydrogen-bonded Turntrans5238.2-176.7-56.9-38.1000114.3V444N442-V444 VanDerWaalsContact C-N 3.29Å; N442-V444 PolarHBondContact O-N 2.9Å
443G88.4Confident94.7Very high58 Ų5864 Ų6460%0.59837%0.37SS*.THydrogen-bonded Turntrans77.97.9-177.800000114.9E440 S441E440-G443 WeakPolarHBondContact OE1-CA 3.49Å; S441-G443 VanDerWaalsContact C-N 3.26Å; S441-G443 PolarHBondContact O-N 2.73Å
444V86.5Confident95Very high95 Ų9563.4 Ų63.458%0.57637%0.37SS*.EExtended strand (participates in β ladder)trans-115.5133.6179.5-174.80000109.7E440 S441 N442E440-V444 WeakPolarHBondContact CA-O 3.49Å; S441-V444 PolarHBondContact N-O 3.05Å; S441-V444 PolarHBondContact O-N 2.97Å; N442-V444 VanDerWaalsContact C-N 3.29Å; N442-V444 PolarHBondContact O-N 2.9Å
445H91.1Very high95.1Very high97 Ų9763.7 Ų63.745%0.44937%0.371SS..EExtended strand (participates in β ladder)trans-63.9133.2176170.4-98.5000112.1H438 E439 W447H438-H445 AromaticContact ND1-CD2 3.81Å; H438-H445 AromaticContact ND1-NE2 3.9Å; E439-H445 WeakPolarHBondContact O-CA 3.33Å; H445-W447 AromaticContact NE2-CD1 3.24Å; H445-W447 AromaticContact NE2-CD2 2.76Å; H445-W447 AromaticContact NE2-CE2 2.59Å; H445-W447 AromaticContact NE2-CE3 3.39Å; H445-W447 AromaticContact NE2-CG 3.22Å; H445-W447 AromaticContact NE2-CH2 3.71Å; H445-W447 AromaticContact NE2-CZ2 3.14Å; H445-W447 WeakPolarHBondContact NE2-CZ2 3.37Å; H445-W447 AromaticContact NE2-CZ3 3.81Å; H445-W447 AromaticContact NE2-NE1 2.86Å; H445-W447 PolarHBondContact NE2-NE1 3.33Å
446V93.8Very high95.3Very high60 Ų6059.1 Ų59.136%0.36434%0.342SS..EExtended strand (participates in β ladder)trans-129.9147.1177.5-177.90000109.7E439E439-V446 PolarHBondContact N-O 3.36Å; E439-V446 PolarHBondContact O-N 2.76Å
447W96.7Very high95.3Very high44 Ų4460.7 Ų60.717%0.16734%0.336CS..EExtended strand (participates in β ladder)trans-90.8124.4175.1-68.7109.6000111.8W400 P427 W428 P429 C437 H438 H445 H449 V452W400-W447 HydrophobicContact CH2-CB 3.98Å; W400-W447 AromaticContact CH2-CD1 3.83Å; W400-W447 AromaticContact CH2-CD2 3.65Å; W400-W447 HydrophobicContact CH2-CD2 3.65Å; W400-W447 AromaticContact CH2-CE2 3.91Å; W400-W447 HydrophobicContact CH2-CE3 4.17Å; W400-W447 AromaticContact CH2-CG 3.58Å; W400-W447 HydrophobicContact CH2-CG 3.58Å; W400-W447 AromaticContact CZ2-CD2 3.57Å; W400-W447 HydrophobicContact CZ2-CD2 3.57Å; W400-W447 AromaticContact CZ2-CE2 3.65Å; W400-W447 AromaticContact CZ2-CE3 3.76Å; W400-W447 HydrophobicContact CZ2-CE3 3.76Å; W400-W447 HydrophobicContact CZ2-CG 4.04Å; W400-W447 HydrophobicContact CZ2-CH2 4.1Å; W400-W447 AromaticContact CZ2-CZ2 3.92Å; W400-W447 HydrophobicContact CZ2-CZ2 3.92Å; W400-W447 HydrophobicContact CZ2-CZ3 4.03Å; P427-W447 HydrophobicContact CB-CH2 4.38Å; P427-W447 HydrophobicContact CB-CZ2 3.82Å; W428-W447 WeakPolarHBondContact O-CH2 3.33Å; P429-W447 HydrophobicContact CG-CZ3 4.29Å; P429-W447 WeakPolarHBondContact O-CH2 3.48Å; C437-W447 HydrophobicContact CB-CE3 4.38Å; C437-W447 HydrophobicContact CB-CZ3 4.28Å; H438-W447 AromaticContact CE1-CH2 3.45Å; H438-W447 VanDerWaalsContact CE1-CH2 3.45Å; H438-W447 WeakPolarHBondContact CE1-CH2 3.31Å; H438-W447 AromaticContact CE1-CZ3 3.23Å; H438-W447 WeakPolarHBondContact CE1-CZ3 3.45Å; H438-W447 AromaticContact ND1-CZ3 3.63Å; H438-W447 AromaticContact NE2-CZ3 3.84Å; H445-W447 AromaticContact NE2-CD1 3.24Å; H445-W447 AromaticContact NE2-CD2 2.76Å; H445-W447 AromaticContact NE2-CE2 2.59Å; H445-W447 AromaticContact NE2-CE3 3.39Å; H445-W447 AromaticContact NE2-CG 3.22Å; H445-W447 AromaticContact NE2-CH2 3.71Å; H445-W447 AromaticContact NE2-CZ2 3.14Å; H445-W447 WeakPolarHBondContact NE2-CZ2 3.37Å; H445-W447 AromaticContact NE2-CZ3 3.81Å; H445-W447 AromaticContact NE2-NE1 2.86Å; H445-W447 PolarHBondContact NE2-NE1 3.33Å; W447-H449 PolarHBondContact O-N 2.94Å; W447-H449 VanDerWaalsContact O-N 3.13Å; W447-H449 PolarHBondContact O-ND1 3.46Å; W447-V452 HydrophobicContact CE3-CG2 3.74Å; W447-V452 HydrophobicContact CZ3-CG2 4.32Å
448N97.4Very high95.4Very high34 Ų3467.9 Ų67.918%0.18236%0.363CS..  trans-76.398.3165-175.2-50.5000109C437 E439 A450 N451 V452C437-N448 PolarHBondContact O-N 3.39Å; E439-N448 HydrophobicContact CG-CB 4.17Å; E439-N448 PolarHBondContact OE1-ND2 2.83Å; N448-A450 VanDerWaalsContact C-N 3.28Å; N448-A450 PolarHBondContact O-N 3.3Å; N448-A450 PolarHBondContact OD1-N 3.43Å; N448-N451 HydrophobicContact CB-CB 4.17Å; N448-N451 PolarHBondContact ND2-ND2 2.99Å; N448-N451 PolarHBondContact O-N 3.12Å; N448-N451 PolarHBondContact OD1-N 2.97Å; N448-V452 WeakPolarHBondContact O-CG2 3.3Å; N448-V452 PolarHBondContact O-N 3.32Å
449H96.8Very high95.5Very high103 Ų10366.8 Ų66.848%0.47736%0.358SS..Hα-helixtrans-63.8-30.9-172.6-73.364000113.2W447 L453W447-H449 PolarHBondContact O-N 2.94Å; W447-H449 VanDerWaalsContact O-N 3.13Å; W447-H449 PolarHBondContact O-ND1 3.46Å; H449-L453 WeakPolarHBondContact O-CB 3.42Å; H449-L453 PolarHBondContact O-N 2.94Å
450A97.9Very high95.8Very high69 Ų6962.7 Ų62.757%0.5734%0.338SS*.Hα-helixtrans-68.9-43.9176.600000111.7N448 L453 A454N448-A450 VanDerWaalsContact C-N 3.28Å; N448-A450 PolarHBondContact O-N 3.3Å; N448-A450 PolarHBondContact OD1-N 3.43Å; A450-L453 PolarHBondContact O-N 3Å; A450-A454 WeakPolarHBondContact O-CB 3.43Å; A450-A454 PolarHBondContact O-N 2.95Å
451N98.3Very high95.9Very high61 Ų6155.8 Ų55.833%0.32631%0.308SS..Hα-helixtrans-69.8-35.2175.3-74.9-33.4000112.2A436 N448 A454 F455A436-N451 HydrophobicContact CB-CB 4.3Å; A436-N451 WeakPolarHBondContact O-CB 3.33Å; A436-N451 PolarHBondContact O-ND2 3.01Å; N448-N451 HydrophobicContact CB-CB 4.17Å; N448-N451 PolarHBondContact ND2-ND2 2.99Å; N448-N451 PolarHBondContact O-N 3.12Å; N448-N451 PolarHBondContact OD1-N 2.97Å; N451-A454 PolarHBondContact O-N 3.36Å; N451-F455 VanDerWaalsContact O-CB 3.26Å; N451-F455 WeakPolarHBondContact O-CB 3.27Å; N451-F455 PolarHBondContact O-N 2.97Å
452V98.6Very high96Very high0 Ų055.2 Ų55.20%031%0.307CS..Hα-helixtrans-59.4-51.8170.1167.90000110.6L397 W400 C437 W447 N448 A454 F455 L456L397-V452 HydrophobicContact CD2-CB 4.47Å; L397-V452 HydrophobicContact CD2-CG1 3.83Å; W400-V452 HydrophobicContact CD2-CG1 3.65Å; W400-V452 HydrophobicContact CE3-CG1 3.9Å; W400-V452 HydrophobicContact CG-CG1 4.26Å; W400-V452 HydrophobicContact CH2-CG1 3.98Å; W400-V452 HydrophobicContact CH2-CG2 4.14Å; W400-V452 HydrophobicContact CZ2-CB 4.49Å; W400-V452 HydrophobicContact CZ2-CG1 3.71Å; W400-V452 HydrophobicContact CZ2-CG2 3.94Å; W400-V452 HydrophobicContact CZ3-CG1 4.06Å; C437-V452 HydrophobicContact CB-CG2 3.74Å; W447-V452 HydrophobicContact CE3-CG2 3.74Å; W447-V452 HydrophobicContact CZ3-CG2 4.32Å; N448-V452 WeakPolarHBondContact O-CG2 3.3Å; N448-V452 PolarHBondContact O-N 3.32Å; V452-A454 PolarHBondContact O-N 3.34Å; V452-F455 CarbonylContact O-C 3.49Å; V452-F455 WeakPolarHBondContact O-CB 3.43Å; V452-F455 PolarHBondContact O-N 3.22Å; V452-F455 VanDerWaalsContact O-N 3.11Å; V452-L456 HydrophobicContact CG1-CD1 3.76Å; V452-L456 HydrophobicContact CG1-CG 4.25Å; V452-L456 VanDerWaalsContact O-CG 3.29Å; V452-L456 WeakPolarHBondContact O-CG 3.47Å; V452-L456 PolarHBondContact O-N 3.03Å
453L98.7Very high96Very high11 Ų1153.1 Ų53.16%0.05831%0.305CS..Hα-helixtrans-60-44.9178.2179.360.4000111.9E393 V396 L397 H449 A450 F455 L456 R457E393-L453 HydrophobicContact CB-CD2 3.8Å; E393-L453 HydrophobicContact CG-CD2 3.88Å; V396-L453 HydrophobicContact CB-CD1 4.07Å; V396-L453 HydrophobicContact CG1-CD1 3.77Å; L397-L453 HydrophobicContact CD1-CB 4.49Å; L397-L453 HydrophobicContact CD2-CB 4.18Å; L397-L453 HydrophobicContact CG-CB 4.44Å; L397-L453 HydrophobicContact CG-CD1 4.41Å; H449-L453 WeakPolarHBondContact O-CB 3.42Å; H449-L453 PolarHBondContact O-N 2.94Å; A450-L453 PolarHBondContact O-N 3Å; L453-F455 VanDerWaalsContact C-N 3.28Å; L453-F455 PolarHBondContact O-N 2.94Å; L453-L456 PolarHBondContact O-N 2.85Å; L453-R457 HydrophobicContact CD1-CG 4.41Å; L453-R457 WeakPolarHBondContact O-CB 3.46Å; L453-R457 WeakPolarHBondContact O-CG 3.29Å; L453-R457 PolarHBondContact O-N 3.17Å
454A98.6Very high96.4Very high31 Ų3152 Ų5226%0.25629%0.286SS..Hα-helixtrans-62.9-33.2175.600000112.8A450 N451 V452 R458A450-A454 WeakPolarHBondContact O-CB 3.43Å; A450-A454 PolarHBondContact O-N 2.95Å; N451-A454 PolarHBondContact O-N 3.36Å; V452-A454 PolarHBondContact O-N 3.34Å; A454-R458 WeakPolarHBondContact O-CG 3.17Å; A454-R458 PolarHBondContact O-N 3.46Å; A454-R458 PolarHBondContact O-NH1 2.87Å
455F98.6Very high96.8Very high13 Ų1348.4 Ų48.46%0.05726%0.263CS..Hα-helixtrans-71.4-46.3173167-96.1000112.1W428 P429 L433 C434 N451 V452 L453 R457 R458 H459W428-F455 AromaticContact CH2-CE1 3.46Å; W428-F455 HydrophobicContact CH2-CE1 3.46Å; W428-F455 VanDerWaalsContact CH2-CE1 3.46Å; W428-F455 HydrophobicContact CH2-CZ 4.01Å; W428-F455 AromaticContact CZ2-CE1 3.76Å; W428-F455 HydrophobicContact CZ2-CE1 3.76Å; W428-F455 AromaticContact CZ2-CZ 3.88Å; W428-F455 HydrophobicContact CZ2-CZ 3.88Å; W428-F455 AromaticContact CZ3-CE1 3.92Å; W428-F455 HydrophobicContact CZ3-CE1 3.92Å; P429-F455 HydrophobicContact CB-CD1 4.09Å; P429-F455 HydrophobicContact CB-CE1 3.55Å; P429-F455 HydrophobicContact CB-CE2 4.5Å; P429-F455 HydrophobicContact CB-CZ 3.8Å; P429-F455 HydrophobicContact CG-CD1 3.73Å; P429-F455 HydrophobicContact CG-CE1 3.7Å; P429-F455 HydrophobicContact CG-CG 4.41Å; P429-F455 HydrophobicContact CG-CZ 4.36Å; L433-F455 HydrophobicContact CD1-CE2 4.34Å; L433-F455 HydrophobicContact CD2-CE2 4.27Å; L433-F455 HydrophobicContact CD2-CZ 3.71Å; L433-F455 HydrophobicContact CG-CE2 3.78Å; L433-F455 HydrophobicContact CG-CZ 3.74Å; C434-F455 HydrophobicContact CB-CB 4.35Å; C434-F455 HydrophobicContact CB-CD1 4.5Å; C434-F455 HydrophobicContact CB-CD2 3.75Å; C434-F455 HydrophobicContact CB-CE2 4.23Å; C434-F455 HydrophobicContact CB-CG 3.92Å; N451-F455 VanDerWaalsContact O-CB 3.26Å; N451-F455 WeakPolarHBondContact O-CB 3.27Å; N451-F455 PolarHBondContact O-N 2.97Å; V452-F455 CarbonylContact O-C 3.49Å; V452-F455 WeakPolarHBondContact O-CB 3.43Å; V452-F455 PolarHBondContact O-N 3.22Å; V452-F455 VanDerWaalsContact O-N 3.11Å; L453-F455 VanDerWaalsContact C-N 3.28Å; L453-F455 PolarHBondContact O-N 2.94Å; F455-R457 PolarHBondContact O-N 3.42Å; F455-R458 PolarHBondContact O-N 3.02Å; F455-R458 VanDerWaalsContact O-N 3.09Å; F455-H459 HydrophobicContact CE1-CB 4.19Å; F455-H459 HydrophobicContact CE2-CB 4.14Å; F455-H459 HydrophobicContact CZ-CB 3.85Å; F455-H459 AromaticContact CZ-CG 3.96Å; F455-H459 WeakPolarHBondContact O-CB 3.47Å; F455-H459 PolarHBondContact O-N 3.11Å
456L98.8Very high96.9Very high0 Ų045.2 Ų45.20%025%0.249CC..Hα-helixtrans-58.1-47.1177.6-69169.3000111.2V396 L397 W400 W428 V452 L453 R458 H459 Y460V396-L456 HydrophobicContact CG1-CB 3.87Å; V396-L456 HydrophobicContact CG1-CD1 3.64Å; V396-L456 HydrophobicContact CG1-CG 4.35Å; L397-L456 HydrophobicContact CD2-CD1 4.23Å; W400-L456 HydrophobicContact CB-CD1 3.74Å; W400-L456 HydrophobicContact CB-CD2 4.34Å; W400-L456 HydrophobicContact CD2-CD1 4.46Å; W400-L456 HydrophobicContact CG-CD1 3.84Å; W400-L456 HydrophobicContact CG-CD2 4.3Å; W428-L456 HydrophobicContact CH2-CD2 4.18Å; W428-L456 HydrophobicContact CZ3-CD2 3.63Å; V452-L456 HydrophobicContact CG1-CD1 3.76Å; V452-L456 HydrophobicContact CG1-CG 4.25Å; V452-L456 VanDerWaalsContact O-CG 3.29Å; V452-L456 WeakPolarHBondContact O-CG 3.47Å; V452-L456 PolarHBondContact O-N 3.03Å; L453-L456 PolarHBondContact O-N 2.85Å; L456-R458 VanDerWaalsContact C-N 3.27Å; L456-R458 PolarHBondContact O-N 3.31Å; L456-H459 PolarHBondContact O-N 3.31Å; L456-Y460 HydrophobicContact CD2-CD2 3.99Å; L456-Y460 HydrophobicContact CD2-CE2 3.7Å; L456-Y460 PolarHBondContact O-N 3.03Å
457R98.4Very high96.8Very high87 Ų8745.3 Ų45.333%0.32825%0.251SS..Hα-helixtrans-54.2-39.5173.9-77.4171.3161.5153.2-2.8112.9D339 E393 L453 F455 G461D339-R457 IonicContact OD1-CZ 2.99Å; D339-R457 IonicContact OD1-NH2 3.63Å; D339-R457 PolarHBondContact OD1-NH2 3.49Å; D339-R457 IonicContact OD2-CZ 3.81Å; D339-R457 IonicContact OD2-NE 3.44Å; D339-R457 PolarHBondContact OD2-NE 3.19Å; D339-R457 IonicContact OD2-NH2 3.59Å; D339-R457 PolarHBondContact OD2-NH2 3.38Å; E393-R457 IonicContact OE1-CZ 3.57Å; E393-R457 IonicContact OE1-NH1 2.76Å; E393-R457 PolarHBondContact OE1-NH1 3.48Å; E393-R457 IonicContact OE1-NH2 3.87Å; E393-R457 PolarHBondContact OE1-NH2 3.37Å; L453-R457 HydrophobicContact CD1-CG 4.41Å; L453-R457 WeakPolarHBondContact O-CB 3.46Å; L453-R457 WeakPolarHBondContact O-CG 3.29Å; L453-R457 PolarHBondContact O-N 3.17Å; F455-R457 PolarHBondContact O-N 3.42Å; R457-G461 WeakPolarHBondContact O-CA 3.28Å; R457-G461 PolarHBondContact O-N 2.85Å
458R97.9Very high96.4Very high150 Ų15050 Ų5057%0.56627%0.269SS*.Hα-helixtrans-77-42.2176.4-71.4-173.2-57.4-101.8-0.1112.9A454 F455 L456 N464A454-R458 WeakPolarHBondContact O-CG 3.17Å; A454-R458 PolarHBondContact O-N 3.46Å; A454-R458 PolarHBondContact O-NH1 2.87Å; F455-R458 PolarHBondContact O-N 3.02Å; F455-R458 VanDerWaalsContact O-N 3.09Å; L456-R458 VanDerWaalsContact C-N 3.27Å; L456-R458 PolarHBondContact O-N 3.31Å; R458-N464 WeakPolarHBondContact O-CB 3.31Å
459H98.1Very high95.8Very high14 Ų1451.7 Ų51.77%0.06527%0.273CS..Hα-helixtrans-74.7-40.1-172.2-17975000112.6S214 V216 W428 F455 L456 N464S214-H459 PolarHBondContact O-CE1 2.05Å; S214-H459 VanDerWaalsContact O-CE1 3.23Å; S214-H459 PolarHBondContact O-ND1 3.27Å; V216-H459 WeakPolarHBondContact CG2-O 3.29Å; W428-H459 AromaticContact CH2-CD2 3.51Å; W428-H459 AromaticContact CH2-NE2 3.91Å; W428-H459 AromaticContact CZ2-CD2 3.61Å; W428-H459 AromaticContact CZ2-NE2 3.54Å; F455-H459 HydrophobicContact CE1-CB 4.19Å; F455-H459 HydrophobicContact CE2-CB 4.14Å; F455-H459 HydrophobicContact CZ-CB 3.85Å; F455-H459 AromaticContact CZ-CG 3.96Å; F455-H459 WeakPolarHBondContact O-CB 3.47Å; F455-H459 PolarHBondContact O-N 3.11Å; L456-H459 PolarHBondContact O-N 3.31Å; H459-N464 PolarHBondContact O-ND2 3.47Å
460Y98.3Very high95.1Very high11 Ų1148 Ų484%0.04326%0.258CS..SBendtrans-99.8-6179.7-64.4-62.9000114V216 T329 H332 V333 W428 L456V216-Y460 HydrophobicContact CG2-CD1 3.87Å; V216-Y460 HydrophobicContact CG2-CE1 4.07Å; T329-Y460 HydrophobicContact CG2-CE1 4.25Å; H332-Y460 HydrophobicContact CB-CD1 3.87Å; H332-Y460 HydrophobicContact CB-CD2 3.74Å; H332-Y460 HydrophobicContact CB-CE1 3.71Å; H332-Y460 HydrophobicContact CB-CE2 3.54Å; H332-Y460 HydrophobicContact CB-CG 3.89Å; H332-Y460 AromaticContact CG-CE2 3.74Å; H332-Y460 AromaticContact CG-CZ 3.77Å; V333-Y460 HydrophobicContact CG2-CD1 3.89Å; V333-Y460 HydrophobicContact CG2-CG 4.43Å; W428-Y460 AromaticContact CH2-CE2 3.62Å; W428-Y460 HydrophobicContact CH2-CE2 3.62Å; W428-Y460 AromaticContact CH2-CZ 3.72Å; W428-Y460 WeakPolarHBondContact CH2-OH 3.39Å; W428-Y460 AromaticContact CZ3-CE2 3.91Å; W428-Y460 HydrophobicContact CZ3-CE2 3.91Å; L456-Y460 HydrophobicContact CD2-CD2 3.99Å; L456-Y460 HydrophobicContact CD2-CE2 3.7Å; L456-Y460 PolarHBondContact O-N 3.03Å
461G96.5Very high93.8Very high7 Ų748 Ų487%0.07225%0.249CC..SBendtrans-69.5153.917700000113R457 S463 N464R457-G461 WeakPolarHBondContact O-CA 3.28Å; R457-G461 PolarHBondContact O-N 2.85Å; G461-S463 PolarHBondContact O-N 3.1Å; G461-N464 PolarHBondContact O-N 2.88Å
462A93.4Very high92.2Very high51 Ų5146.1 Ų46.142%0.42124%0.239SC..G310 helixtrans-51.2-28.8-173.100000115.9P259 N464P259-A462 HydrophobicContact CB-CB 3.82Å; A462-N464 PolarHBondContact O-N 2.81Å
463S93.7Very high89.9Confident120 Ų12051.2 Ų51.284%0.83928%0.275SS*.G310 helixtrans-75-15.8179.952.10000115.2G461G461-S463 PolarHBondContact O-N 3.1Å
464N96.6Very high87.4Confident34 Ų3454.8 Ų54.818%0.18230%0.299CS..G310 helixtrans-102.67.9177.6-165.852.3000113.1S214 V216 R458 H459 G461 A462S214-N464 PolarHBondContact O-ND2 3.4Å; V216-N464 PolarHBondContact N-O 2.95Å; R458-N464 WeakPolarHBondContact O-CB 3.31Å; H459-N464 PolarHBondContact O-ND2 3.47Å; G461-N464 PolarHBondContact O-N 2.88Å; A462-N464 PolarHBondContact O-N 2.81Å
465L94.5Very high84.8Confident19 Ų1964.7 Ų64.710%0.09933%0.33CS..EExtended strand (participates in β ladder)trans-83.4117178-60.2177.7000110.4V216 T218 L221 P259 V260 V333 P467V216-L465 HydrophobicContact CB-CD2 3.84Å; V216-L465 HydrophobicContact CG1-CD2 3.58Å; V216-L465 CarbonylContact O-C 3.59Å; V216-L465 WeakPolarHBondContact O-CA 3.37Å; T218-L465 HydrophobicContact CG2-CB 4.17Å; L221-L465 HydrophobicContact CD1-CD2 4.31Å; P259-L465 HydrophobicContact CB-CD1 3.55Å; P259-L465 HydrophobicContact CG-CD1 3.16Å; V260-L465 HydrophobicContact CG2-CB 4.23Å; V260-L465 HydrophobicContact CG2-CD1 3.58Å; V333-L465 HydrophobicContact CG2-CD2 4.33Å; L465-P467 WeakPolarHBondContact O-CD 3.46Å
466N93.8Very high81.7Confident31 Ų3171.5 Ų71.517%0.16637%0.366CS..EExtended strand (participates in β ladder)trans-93.4116.8-179-167.8-20.3000110.6Q215 V216 Y217 T218 R468Q215-N466 PolarHBondContact OE1-ND2 3.34Å; V216-N466 PolarHBondContact O-N 3.29Å; Y217-N466 WeakPolarHBondContact CA-O 3.38Å; Y217-N466 HydrophobicContact CD1-CB 3.87Å; Y217-N466 HydrophobicContact CE1-CB 3.92Å; Y217-N466 WeakPolarHBondContact CE1-ND2 3.38Å; Y217-N466 HydrophobicContact CG-CB 4.48Å; T218-N466 PolarHBondContact N-O 3.17Å; N466-R468 PolarHBondContact O-N 3.33Å; N466-R468 WeakPolarHBondContact OD1-CB 3.44Å; N466-R468 PolarHBondContact OD1-N 3.4Å
467P90.4Very high78.9Confident61 Ų6177.3 Ų77.340%0.39640%0.404SS..  trans-77.5-1.9177.533.1-36.7000113.5L465 Y469 S470 P474L465-P467 WeakPolarHBondContact O-CD 3.46Å; P467-Y469 PolarHBondContact O-N 2.88Å; P467-S470 WeakPolarHBondContact O-CB 3.49Å; P467-S470 PolarHBondContact O-N 3.49Å; P467-P474 HydrophobicContact CB-CG 3.88Å; P467-P474 HydrophobicContact CG-CG 4.49Å
468R88.2Confident75.9Confident143 Ų14378.5 Ų78.554%0.5443%0.432SS..THydrogen-bonded Turntrans-57.5137176-172.6-178.3167.2151.5-8.1109.9Y217 N466 S470Y217-R468 HydrophobicContact CE1-CB 4.48Å; N466-R468 PolarHBondContact O-N 3.33Å; N466-R468 WeakPolarHBondContact OD1-CB 3.44Å; N466-R468 PolarHBondContact OD1-N 3.4Å; R468-S470 PolarHBondContact O-N 2.87Å
469Y85.4Confident72.8Confident70 Ų7074.8 Ų74.828%0.27544%0.441SS..THydrogen-bonded Turntrans68.7-3.9-173-48.8-74.6000116.5Y217 R309 V311 P467Y217-Y469 HydrophobicContact CD1-CD2 4.43Å; R309-Y469 VanDerWaalsContact CD-O 3.31Å; R309-Y469 WeakPolarHBondContact CD-O 3.46Å; V311-Y469 HydrophobicContact CB-CD2 4.44Å; V311-Y469 HydrophobicContact CG1-CD2 3.75Å; V311-Y469 HydrophobicContact CG1-CE2 4.02Å; V311-Y469 HydrophobicContact CG2-CD2 3.78Å; V311-Y469 HydrophobicContact CG2-CG 3.95Å; P467-Y469 PolarHBondContact O-N 2.88Å
470S82.6Confident69.7Low24 Ų2479.5 Ų79.517%0.16848%0.482CS..  trans-53.8142.9170.4178.60000111.2T218 E222 P467 R468 T472T218-S470 WeakPolarHBondContact OG1-CB 3.03Å; E222-S470 WeakPolarHBondContact OE1-CB 3.48Å; E222-S470 PolarHBondContact OE1-OG 3.43Å; E222-S470 PolarHBondContact OE2-OG 3.06Å; P467-S470 WeakPolarHBondContact O-CB 3.49Å; P467-S470 PolarHBondContact O-N 3.49Å; R468-S470 PolarHBondContact O-N 2.87Å; S470-T472 VanDerWaalsContact C-N 3.33Å; S470-T472 PolarHBondContact OG-N 3.46Å; S470-T472 PolarHBondContact OG-O 2.99Å; S470-T472 PolarHBondContact OG-OG1 2.83Å
471L71.3Confident66.3Low69 Ų6982.3 Ų82.336%0.36151%0.514SS..SBendtrans-89.1-5.2172-83.2170.3000112.3E222E222-L471 PolarHBondContact OE2-N 3.28Å
472T64Low63.4Low22 Ų2288 Ų8814%0.13555%0.55CS.*SBendtrans-109.5128.2-178.438.80000111.7E222 S263 F303 S470 P474E222-T472 PolarHBondContact OE1-OG1 3.26Å; E222-T472 PolarHBondContact OE2-OG1 3.34Å; S263-T472 WeakPolarHBondContact OG-CB 3.2Å; S263-T472 WeakPolarHBondContact OG-CG2 3.19Å; F303-T472 VanDerWaalsContact O-CG2 3.24Å; F303-T472 WeakPolarHBondContact O-CG2 3.41Å; S470-T472 VanDerWaalsContact C-N 3.33Å; S470-T472 PolarHBondContact OG-N 3.46Å; S470-T472 PolarHBondContact OG-O 2.99Å; S470-T472 PolarHBondContact OG-OG1 2.83Å; T472-P474 VanDerWaalsContact O-CD 3.25Å; T472-P474 WeakPolarHBondContact O-CD 3.4Å
473S49.7Very low60.3Low108 Ų10890.6 Ų90.676%0.75557%0.571SS**  trans-67119-171.1-1760000111.4R475S473-R475 PolarHBondContact O-N 3.1Å; S473-R475 VanDerWaalsContact O-N 3.16Å
474P46.3Very low57.3Low86 Ų8693.6 Ų93.656%0.55857%0.572SS**  trans-72110.7178.3-15.830.8000110.4P467 T472P467-P474 HydrophobicContact CB-CG 3.88Å; P467-P474 HydrophobicContact CG-CG 4.49Å; T472-P474 VanDerWaalsContact O-CD 3.25Å; T472-P474 WeakPolarHBondContact O-CD 3.4Å
475R43.4Very low54.2Low239 Ų23998.8 Ų98.890%0.90261%0.605SS**  trans-90.5101.7160.3-75.4-169.8177.4-172.20.3108.7S473S473-R475 PolarHBondContact O-N 3.1Å; S473-R475 VanDerWaalsContact O-N 3.16Å
476L34.7Very low51Low156 Ų156109.5 Ų109.582%0.81764%0.644SS**  trans-57.7144.2167.2-73.3163000110.1A478L476-A478 PolarHBondContact O-N 2.64Å
477P39.5Very low47.7Very low122 Ų122119.5 Ų119.579%0.79268%0.68SS**  trans-64.8133.9176.626.8-33.5000110.7G479P477-G479 PolarHBondContact O-N 3.39Å
478A35.7Very low44.7Very low112 Ų112122.8 Ų122.893%0.92670%0.701SS**  trans-72.6111-179.300000111L476L476-A478 PolarHBondContact O-N 2.64Å
479G32.8Very low41.9Very low72 Ų72124.9 Ų124.974%0.74272%0.717SS**  trans-128.6100-179.300000113.2P477P477-G479 PolarHBondContact O-N 3.39Å
480A32.2Very low39Very low112 Ų112129.7 Ų129.793%0.92674%0.742SS**  trans35.5117.5155.700000121.3
481G27.2Very low36.3Very low70 Ų70137.9 Ų137.972%0.72278%0.777SS**  trans-164119.4153.600000110.6A483G481-A483 PolarHBondContact O-N 3.42Å
482P35.3Very low34.2Very low128 Ų128145.5 Ų145.583%0.83180%0.801SS**  trans-75.2120.9-17829.3-32.8000110.6Q484P482-Q484 PolarHBondContact O-N 3.38Å
483A28.4Very low32.6Very low104 Ų104150.2 Ų150.286%0.8683%0.832SS**  trans-66.5106.2175.400000110.5G481 T485G481-A483 PolarHBondContact O-N 3.42Å; A483-T485 PolarHBondContact O-N 3.42Å
484Q31.3Very low31.5Very low183 Ų183150.1 Ų150.186%0.85584%0.838SS**  trans-66.7128.1169.4-75.9-174.1-7.700110.1P482 R486P482-Q484 PolarHBondContact O-N 3.38Å; Q484-R486 PolarHBondContact O-N 3.24Å
485T32.6Very low30.7Very low144 Ų144151 Ų15188%0.88385%0.853SS**  trans-63120.6173.710.60000111.2A483A483-T485 PolarHBondContact O-N 3.42Å
486R25.9Very low29.9Very low244 Ų244143.3 Ų143.392%0.92185%0.847SS**  trans-123.7131.5156.2-83-172.1170-175.6-2.8110Q484Q484-R486 PolarHBondContact O-N 3.24Å
487R25.3Very low29.6Very low241 Ų241139.6 Ų139.691%0.90985%0.847SS**  trans-71.5154.4174.7-77.5179.2172.3175.3-3.2110.3
488P27.2Very low29Very low130 Ų130141.1 Ų141.184%0.84484%0.844SS**  trans-70.9146.3177.330.6-34.6000111.1
489Q28.1Very low28.6Very low187 Ų187143.8 Ų143.887%0.87483%0.829SS**  trans-117.9148170.4-168168.1-6.200108.9
490E26.2Very low28.3Very low170 Ų170149.5 Ų149.579%0.79483%0.829SS**  trans-64.9141.7-164.4-62.9156.9100.200114.7
491E25.8Very low28Very low196 Ų196153.8 Ų153.892%0.91683%0.827SS**  trans-110.4134.8154.8-74.1-170.9144.500109.9
492R26.7Very low28Very low230 Ų230153.9 Ų153.987%0.86883%0.827SS**  trans-113.3153.1168.1-89.5-171.9178.3-169.81109.9
493P29.7Very low27.5Very low120 Ų120155.8 Ų155.878%0.77983%0.825SS**PPolyproline II helixtrans-94.6156.1-148.835.8-36.9000114.6
494A26.8Very low27.5Very low106 Ų106158.9 Ų158.988%0.87683%0.827SS**PPolyproline II helixtrans-85.6131.5161.300000110.2
495A29.1Very low27.2Very low106 Ų106157.8 Ų157.888%0.87682%0.822SS**PPolyproline II helixtrans-101.5131.4179.500000111.9
496G27.4Very low26.9Very low76 Ų76157.1 Ų157.178%0.78482%0.817SS**PPolyproline II helixtrans-95.6149.7159.800000110.4
497G27.8Very low26.8Very low78 Ų78153.2 Ų153.280%0.80481%0.81SS**PPolyproline II helixtrans-78.5154.6-163.900000117.5
498E28Very low26.7Very low155 Ų155148 Ų14872%0.72480%0.799SS**  trans15.9141.4139.7-74.6-159.7106.400119.4
499R27Very low26.4Very low167 Ų167152.7 Ų152.763%0.6380%0.8SS**  cis-173.4148.642.4-136.4162.6-159-165.510.1115
500R26.8Very low26.7Very low192 Ų192148.7 Ų148.773%0.72579%0.79SS**  trans63.8114.4151.5-78160.4-168.4-154.8-0.5118.7
501K26.1Very low26.6Very low203 Ų203148.3 Ų148.388%0.88379%0.792SS**  79.8136.482.6-83.3-162172.4-1620113
502G26.5Very low26.6Very low71 Ų71147.3 Ų147.373%0.73279%0.788SS**  cis-147.6-176.511.400000114.6
503E25.4Very low27.1Very low168 Ų168142.1 Ų142.179%0.78578%0.784SS**  trans-83.1160.5-170.5-61.1139.7109.600113.6
504D27.2Very low26.8Very low169 Ų169140 Ų14090%0.90478%0.783SS**  trans-145.9153.9131.9-125-26.4000111.4
505Q25.6Very low27.5Very low160 Ų160140.6 Ų140.675%0.74878%0.778SS**  trans-102.6-179.8-159.7-64.2178.9-18.700115.8
506V25.8Very low27.3Very low130 Ų130146.3 Ų146.379%0.78878%0.777SS**  trans87.5131.4160.5-175.50000116.8
507E23.6Very low27.2Very low163 Ų163154.3 Ų154.376%0.76278%0.783SS**  cis-161.1-164.1-25.6-166.1145.1-172.400110.7
508L23.3Very low27.2Very low132 Ų132154.2 Ų154.269%0.69178%0.783SS**  trans-52.3134.1177.6-90.861.6000115.5
509R21.7Very low27.1Very low227 Ų227156.4 Ų156.486%0.85779%0.793SS**  70160.980.5-79.6-168.3179.1-171.70.4115.2
510P34.1Very low27Very low104 Ų104157.5 Ų157.568%0.67581%0.805SS**  cis-130.5-166.5-2833.9-14.1000111.4
511I25Very low26.8Very low161 Ų161152.4 Ų152.483%0.82680%0.804SS**  trans164.6135.6130.2-83.7155.6000112.1
512Q25Very low26.8Very low176 Ų176149.5 Ų149.582%0.82280%0.803SS**  trans-126.8174.7159.6-87.6-167.611.500106.5
513P37.5Very low26.6Very low121 Ų121153 Ų15379%0.78681%0.805SS**  cis-130.5177.8-37.135.5-19.6000111.2
514G22.2Very low26.7Very low74 Ų74153.2 Ų153.276%0.76381%0.809SS**  trans161.8158.9158.800000117.5
515P42.3Very low26.6Very low119 Ų119153.7 Ų153.777%0.77381%0.806SS**  trans-126.8168.3-157.740.7-26.1000116.2
516R25.5Very low26.5Very low227 Ų227149.2 Ų149.286%0.85780%0.803SS**  167148.7127-94.5167.6-179.1-170.42.3115.4
517R25.6Very low26.7Very low243 Ų243152.9 Ų152.992%0.91781%0.811SS**  trans39.8140.9149-75.7-176.6171.3168.7-3.5121.1
518G25.9Very low26.9Very low77 Ų77148.8 Ų148.879%0.79481%0.813SS**  trans-107.8-167.4173.100000113.9
519E26.8Very low27.2Very low201 Ų201145.9 Ų145.994%0.93982%0.815SS**  trans-146.2158.9-177.6-141.1165.2150.200112.5
520Q24.7Very low27.5Very low189 Ų189143.9 Ų143.988%0.88381%0.813SS**  trans-83.4177178.5-74165.3-46.500110.5
521A23.7Very low27.8Very low86 Ų86149.8 Ų149.871%0.71182%0.822SS**  cis-175.9159.9-24.400000106.3
522V25Very low28.4Very low141 Ų141147.8 Ų147.886%0.85581%0.811SS**  trans-156.8140.3155.11590000110.3
523L23.6Very low29.3Very low146 Ų146147 Ų14776%0.76481%0.812SS**  trans-77.6146.7171.3-88.570.2000112.5
524I26.3Very low29.5Very low172 Ų172144.8 Ų144.888%0.88281%0.811SS**  trans-132.5138.9134.2-65.2-172.2000108.8
525Q24.3Very low30.7Very low178 Ų178147.8 Ų147.883%0.83281%0.809SS**  trans-111.2137.9179.9166.7-175.4-16.400108.6
526G24.5Very low31.1Very low66 Ų66146.1 Ų146.168%0.6881%0.814SS**  trans150.8111.2169.500000115.4
527E29.4Very low32.1Very low207 Ų207141.8 Ų141.897%0.96780%0.801SS**  trans37117.7145.7-61.1178.111000120.8
528G28.1Very low34.3Very low77 Ų77133.8 Ų133.879%0.79478%0.779SS**  trans166.1102.2165.400000112.3F530G528-F530 PolarHBondContact O-N 3.41Å
529G30.1Very low35.8Very low72 Ų72135.1 Ų135.174%0.74278%0.777SS**  trans-66.3127.2-17800000112.9W531G529-W531 PolarHBondContact O-N 2.88Å
530F28.5Very low37.8Very low185 Ų185130.5 Ų130.581%0.81176%0.762SS**  trans-86.4110.5179.4-166.5-115.2000111.1G528 I532G528-F530 PolarHBondContact O-N 3.41Å; F530-I532 HydrophobicContact CD1-CD1 4.26Å; F530-I532 HydrophobicContact CD1-CG1 4.13Å; F530-I532 HydrophobicContact CE1-CD1 3.39Å; F530-I532 HydrophobicContact CE1-CG1 3.68Å; F530-I532 HydrophobicContact CZ-CD1 3.92Å; F530-I532 HydrophobicContact CZ-CG1 4.26Å; F530-I532 PolarHBondContact O-N 3.4Å
531W40Very low39.8Very low228 Ų228124.1 Ų124.186%0.86473%0.734SS**  trans-81.2106.2178.7-8374.3000111.7G529G529-W531 PolarHBondContact O-N 2.88Å
532I38.3Very low41.8Very low118 Ų118126 Ų12661%0.60573%0.729SS**  trans-135.4131.4159.2-69.5-168.1000109.1F530F530-I532 HydrophobicContact CD1-CD1 4.26Å; F530-I532 HydrophobicContact CD1-CG1 4.13Å; F530-I532 HydrophobicContact CE1-CD1 3.39Å; F530-I532 HydrophobicContact CE1-CG1 3.68Å; F530-I532 HydrophobicContact CZ-CD1 3.92Å; F530-I532 HydrophobicContact CZ-CG1 4.26Å; F530-I532 PolarHBondContact O-N 3.4Å
533L42.4Very low44.1Very low161 Ų161122.9 Ų122.984%0.84371%0.714SS**SBendtrans65.7108.1179.9-64.9160.6000115L535L533-L535 VanDerWaalsContact C-N 3.35Å; L533-L535 PolarHBondContact O-N 3.28Å
534G42.6Very low46.7Very low74 Ų74120.5 Ų120.576%0.76370%0.701SS**SBendtrans-74.872.2-174.200000115.2
535L47.6Very low49.2Very low137 Ų137115.6 Ų115.672%0.71768%0.681SS**  trans-137.6118155.8-86.9167.1000107.4L533 F537L533-L535 VanDerWaalsContact C-N 3.35Å; L533-L535 PolarHBondContact O-N 3.28Å; L535-F537 HydrophobicContact CB-CD2 4.23Å; L535-F537 HydrophobicContact CB-CE2 3.87Å; L535-F537 WeakPolarHBondContact O-CD2 3.22Å; L535-F537 PolarHBondContact O-N 3.06Å
536G49.9Very low52Low84 Ų84112.3 Ų112.387%0.86667%0.673SS**  trans-7587.2-175.200000112.5
537F46.7Very low54.8Low136 Ų136113.5 Ų113.560%0.59667%0.667SS**  trans-78.1124.7170.2-75.3-87.3000110.5L535 D541L535-F537 HydrophobicContact CB-CD2 4.23Å; L535-F537 HydrophobicContact CB-CE2 3.87Å; L535-F537 WeakPolarHBondContact O-CD2 3.22Å; L535-F537 PolarHBondContact O-N 3.06Å; F537-D541 HydrophobicContact CD1-CB 3.78Å
538T71.5Confident57.4Low75 Ų75108.4 Ų108.446%0.4665%0.646SS.*  trans-80.5164.7171.871.60000110.7V540 D541 M542T538-V540 PolarHBondContact O-N 3.4Å; T538-V540 PolarHBondContact OG1-N 2.74Å; T538-D541 WeakPolarHBondContact CA-OD2 3.45Å; T538-D541 WeakPolarHBondContact CB-OD2 3.17Å; T538-D541 PolarHBondContact N-OD2 2.96Å; T538-D541 PolarHBondContact O-N 3.42Å; T538-D541 VanDerWaalsContact O-N 3.07Å; T538-D541 PolarHBondContact OG1-N 3.15Å; T538-D541 PolarHBondContact OG1-OD2 3.25Å; T538-M542 PolarHBondContact O-N 3.32Å
539S58.8Low60.3Low105 Ų105113.1 Ų113.173%0.73464%0.641SS**Hα-helixtrans-61.1-23.2173.253.20000113.1S543S539-S543 PolarHBondContact O-N 3.45Å
540V67.3Low63.2Low103 Ų103111.6 Ų111.662%0.62463%0.625SS**Hα-helixtrans-70.1-40.3174.2-175.30000110.8T538 S543 L544T538-V540 PolarHBondContact O-N 3.4Å; T538-V540 PolarHBondContact OG1-N 2.74Å; V540-S543 WeakPolarHBondContact O-CB 3.35Å; V540-S543 PolarHBondContact O-N 3.18Å; V540-L544 WeakPolarHBondContact O-CB 3.39Å; V540-L544 PolarHBondContact O-N 2.76Å
541D67.1Low65.8Low55 Ų55105.9 Ų105.929%0.29461%0.608SS.*Hα-helixtrans-67.6-40.5179.9-56.1-58.6000111.7F537 T538 S543 L544 C545F537-D541 HydrophobicContact CD1-CB 3.78Å; T538-D541 WeakPolarHBondContact CA-OD2 3.45Å; T538-D541 WeakPolarHBondContact CB-OD2 3.17Å; T538-D541 PolarHBondContact N-OD2 2.96Å; T538-D541 PolarHBondContact O-N 3.42Å; T538-D541 VanDerWaalsContact O-N 3.07Å; T538-D541 PolarHBondContact OG1-N 3.15Å; T538-D541 PolarHBondContact OG1-OD2 3.25Å; D541-S543 VanDerWaalsContact C-N 3.33Å; D541-S543 PolarHBondContact O-N 2.72Å; D541-L544 PolarHBondContact O-N 3.1Å; D541-C545 WeakPolarHBondContact O-CB 3.19Å; D541-C545 PolarHBondContact O-N 3.07Å; D541-C545 PolarHBondContact O-SG 3.42Å; D541-C545 VanDerWaalsContact O-SG 3.39Å
542M66.7Low68.1Low126 Ų12698 Ų9862%0.62159%0.588SS**Hα-helixtrans-63.1-39.8173.9-71.5-65.8-118.500112T538 C545 V546T538-M542 PolarHBondContact O-N 3.32Å; M542-C545 PolarHBondContact O-N 3.12Å; M542-V546 WeakPolarHBondContact O-CG2 3.35Å; M542-V546 PolarHBondContact O-N 2.62Å; M542-V546 VanDerWaalsContact O-N 3.1Å
543S72.9Confident70.5Confident75 Ų7595.1 Ų95.152%0.52458%0.578SS.*Hα-helixtrans-63.4-45.4173.7-171.30000111.6S539 V540 D541 C545 V546 V547S539-S543 PolarHBondContact O-N 3.45Å; V540-S543 WeakPolarHBondContact O-CB 3.35Å; V540-S543 PolarHBondContact O-N 3.18Å; D541-S543 VanDerWaalsContact C-N 3.33Å; D541-S543 PolarHBondContact O-N 2.72Å; S543-C545 PolarHBondContact O-N 2.81Å; S543-V546 PolarHBondContact O-N 3.27Å; S543-V547 WeakPolarHBondContact O-CG2 3.46Å; S543-V547 PolarHBondContact O-N 3.4Å
544L77.3Confident72.8Confident97 Ų9792.7 Ų92.751%0.50857%0.565SS.*Hα-helixtrans-61.9-43.6177.2-172.568.2000111.7V540 D541 V546 V547 L548V540-L544 WeakPolarHBondContact O-CB 3.39Å; V540-L544 PolarHBondContact O-N 2.76Å; D541-L544 PolarHBondContact O-N 3.1Å; L544-V546 PolarHBondContact O-N 2.74Å; L544-V547 PolarHBondContact O-N 2.7Å; L544-L548 HydrophobicContact CD1-CD1 4.47Å; L544-L548 HydrophobicContact CD1-CG 4.5Å; L544-L548 HydrophobicContact CD2-CD1 4.47Å; L544-L548 HydrophobicContact CG-CD1 3.95Å; L544-L548 HydrophobicContact CG-CG 4.37Å; L544-L548 WeakPolarHBondContact O-CB 3.08Å; L544-L548 VanDerWaalsContact O-CG 3.28Å; L544-L548 WeakPolarHBondContact O-CG 3.39Å; L544-L548 PolarHBondContact O-N 3.39Å
545C79.4Confident75.2Confident68 Ų6895.2 Ų95.246%0.45956%0.555SS.*Hα-helixtrans-59.7-43.2175.1-76.50000112.3D541 M542 S543 L548 Y549D541-C545 WeakPolarHBondContact O-CB 3.19Å; D541-C545 PolarHBondContact O-N 3.07Å; D541-C545 PolarHBondContact O-SG 3.42Å; D541-C545 VanDerWaalsContact O-SG 3.39Å; M542-C545 PolarHBondContact O-N 3.12Å; S543-C545 PolarHBondContact O-N 2.81Å; C545-L548 PolarHBondContact O-N 3.24Å; C545-Y549 VanDerWaalsContact O-CB 3.29Å; C545-Y549 WeakPolarHBondContact O-CB 3.26Å; C545-Y549 PolarHBondContact O-N 2.98Å
546V83.4Confident77.2Confident109 Ų10993.6 Ų93.666%0.66155%0.547SS*.Hα-helixtrans-65.5-40.2176.7172.50000111.6M542 S543 L544 Y549 G550M542-V546 WeakPolarHBondContact O-CG2 3.35Å; M542-V546 PolarHBondContact O-N 2.62Å; M542-V546 VanDerWaalsContact O-N 3.1Å; S543-V546 PolarHBondContact O-N 3.27Å; L544-V546 PolarHBondContact O-N 2.74Å; V546-Y549 PolarHBondContact O-N 3.47Å; V546-G550 PolarHBondContact O-N 2.94Å
547V82.3Confident79.1Confident92 Ų9294.6 Ų94.656%0.55853%0.53SS*.Hα-helixtrans-67.2-40.6176.2171.80000112S543 L544 S551S543-V547 WeakPolarHBondContact O-CG2 3.46Å; S543-V547 PolarHBondContact O-N 3.4Å; L544-V547 PolarHBondContact O-N 2.7Å; V547-S551 WeakPolarHBondContact O-CB 3.35Å; V547-S551 PolarHBondContact O-N 2.94Å; V547-S551 PolarHBondContact O-OG 3.39Å
548L84Confident81.2Confident100 Ų10093.2 Ų93.252%0.52453%0.528SS..Hα-helixtrans-67.8-40.2175.8-72.2172.9000111.8L544 C545 S551 S552L544-L548 HydrophobicContact CD1-CD1 4.47Å; L544-L548 HydrophobicContact CD1-CG 4.5Å; L544-L548 HydrophobicContact CD2-CD1 4.47Å; L544-L548 HydrophobicContact CG-CD1 3.95Å; L544-L548 HydrophobicContact CG-CG 4.37Å; L544-L548 WeakPolarHBondContact O-CB 3.08Å; L544-L548 VanDerWaalsContact O-CG 3.28Å; L544-L548 WeakPolarHBondContact O-CG 3.39Å; L544-L548 PolarHBondContact O-N 3.39Å; C545-L548 PolarHBondContact O-N 3.24Å; L548-S551 WeakPolarHBondContact CA-OG 3.5Å; L548-S551 PolarHBondContact O-OG 3.35Å; L548-S551 VanDerWaalsContact O-OG 3.06Å; L548-S552 VanDerWaalsContact O-CB 3.26Å; L548-S552 WeakPolarHBondContact O-CB 3.38Å; L548-S552 PolarHBondContact O-N 2.93Å
549Y89Confident81.9Confident175 Ų17592.6 Ų92.669%0.68652%0.522SS*.Hα-helixtrans-67.1-43.9175.9-155.4-92.4000111.3C545 V546 S552 C553C545-Y549 VanDerWaalsContact O-CB 3.29Å; C545-Y549 WeakPolarHBondContact O-CB 3.26Å; C545-Y549 PolarHBondContact O-N 2.98Å; V546-Y549 PolarHBondContact O-N 3.47Å; Y549-S552 PolarHBondContact O-N 2.88Å; Y549-C553 PolarHBondContact O-N 3.04Å; Y549-C553 PolarHBondContact O-SG 2.75Å; Y549-C553 VanDerWaalsContact O-SG 3.4Å
550G90.9Very high83.4Confident40 Ų4093 Ų9341%0.41251%0.511SS..Hα-helixtrans-59.6-46.5174.500000112.9V546 C553 L554V546-G550 PolarHBondContact O-N 2.94Å; G550-C553 PolarHBondContact O-N 3.08Å; G550-L554 WeakPolarHBondContact O-CB 3.34Å; G550-L554 PolarHBondContact O-N 3.03Å
551S83.1Confident84.3Confident65 Ų6593.6 Ų93.646%0.45551%0.505SS..Hα-helixtrans-68.3-37.2178.260.40000112.8V547 L548 L554 F555V547-S551 WeakPolarHBondContact O-CB 3.35Å; V547-S551 PolarHBondContact O-N 2.94Å; V547-S551 PolarHBondContact O-OG 3.39Å; L548-S551 WeakPolarHBondContact CA-OG 3.5Å; L548-S551 PolarHBondContact O-OG 3.35Å; L548-S551 VanDerWaalsContact O-OG 3.06Å; S551-L554 PolarHBondContact O-N 3.38Å; S551-F555 WeakPolarHBondContact O-CB 3.38Å; S551-F555 PolarHBondContact O-N 3.29Å
552S88.4Confident85.3Confident63 Ų6396.8 Ų96.844%0.44152%0.517SS..Hα-helixtrans-61.4-48.8172.5-176.20000112.1L548 Y549 L554 F555 L556L548-S552 VanDerWaalsContact O-CB 3.26Å; L548-S552 WeakPolarHBondContact O-CB 3.38Å; L548-S552 PolarHBondContact O-N 2.93Å; Y549-S552 PolarHBondContact O-N 2.88Å; S552-L554 VanDerWaalsContact C-N 3.32Å; S552-L554 PolarHBondContact O-N 2.9Å; S552-F555 PolarHBondContact O-N 2.9Å; S552-L556 WeakPolarHBondContact O-CG 3.39Å; S552-L556 PolarHBondContact O-N 2.97Å
553C90Very high86Confident57 Ų5796.9 Ų96.939%0.38551%0.514SS..Hα-helixtrans-59.7-41.6174.9-72.30000112.2Y549 G550 L556 M557Y549-C553 PolarHBondContact O-N 3.04Å; Y549-C553 PolarHBondContact O-SG 2.75Å; Y549-C553 VanDerWaalsContact O-SG 3.4Å; G550-C553 PolarHBondContact O-N 3.08Å; C553-L556 PolarHBondContact O-N 3.48Å; C553-M557 VanDerWaalsContact O-CG 3.29Å; C553-M557 WeakPolarHBondContact O-CG 3.29Å; C553-M557 PolarHBondContact O-N 3.41Å
554L89.7Confident86.5Confident110 Ų11098 Ų9858%0.57651%0.509SS*.Hα-helixtrans-68.1-38.3179.7-152.6154.4000111.4G550 S551 S552 M557 L558G550-L554 WeakPolarHBondContact O-CB 3.34Å; G550-L554 PolarHBondContact O-N 3.03Å; S551-L554 PolarHBondContact O-N 3.38Å; S552-L554 VanDerWaalsContact C-N 3.32Å; S552-L554 PolarHBondContact O-N 2.9Å; L554-M557 PolarHBondContact O-N 3.42Å; L554-L558 HydrophobicContact CD2-CD1 3.76Å; L554-L558 HydrophobicContact CD2-CG 4.16Å; L554-L558 WeakPolarHBondContact O-CG 3.49Å; L554-L558 PolarHBondContact O-N 2.95Å
555F92.3Very high86.6Confident127 Ų12796.4 Ų96.456%0.55750%0.504SS*.Hα-helixtrans-64-45173.1-176.9-107.9000112.5S551 S552 M557 L558 L559S551-F555 WeakPolarHBondContact O-CB 3.38Å; S551-F555 PolarHBondContact O-N 3.29Å; S552-F555 PolarHBondContact O-N 2.9Å; F555-M557 VanDerWaalsContact C-N 3.34Å; F555-M557 PolarHBondContact O-N 3.43Å; F555-L558 PolarHBondContact O-N 2.91Å; F555-L559 HydrophobicContact CD1-CD1 3.94Å; F555-L559 HydrophobicContact CD1-CG 4.49Å; F555-L559 HydrophobicContact CE1-CD1 3.49Å; F555-L559 VanDerWaalsContact CE1-CD1 3.49Å; F555-L559 HydrophobicContact CE1-CG 4.19Å; F555-L559 HydrophobicContact CZ-CD1 3.91Å; F555-L559 HydrophobicContact CZ-CD2 4.43Å; F555-L559 HydrophobicContact CZ-CG 4.24Å; F555-L559 WeakPolarHBondContact O-CG 3.35Å; F555-L559 PolarHBondContact O-N 3.23Å
556L90.3Very high86.5Confident104 Ų104100.7 Ų100.755%0.54551%0.51SS..Hα-helixtrans-61.6-40.3175.1-71.6171.7000112.1S552 C553 L559 F560S552-L556 WeakPolarHBondContact O-CG 3.39Å; S552-L556 PolarHBondContact O-N 2.97Å; C553-L556 PolarHBondContact O-N 3.48Å; L556-L559 PolarHBondContact O-N 3.45Å; L556-F560 WeakPolarHBondContact O-CB 3.2Å; L556-F560 PolarHBondContact O-N 2.98Å
557M89.6Confident85.9Confident104 Ų10498.5 Ų98.551%0.51250%0.5SS..Hα-helixtrans-64.3-41.9174.1-72.3-62.7-67.300112.1C553 L554 F555 F560 F561C553-M557 VanDerWaalsContact O-CG 3.29Å; C553-M557 WeakPolarHBondContact O-CG 3.29Å; C553-M557 PolarHBondContact O-N 3.41Å; L554-M557 PolarHBondContact O-N 3.42Å; F555-M557 VanDerWaalsContact C-N 3.34Å; F555-M557 PolarHBondContact O-N 3.43Å; M557-F560 PolarHBondContact O-N 3.35Å; M557-F561 HydrophobicContact CE-CE2 3.85Å; M557-F561 VanDerWaalsContact O-CD2 3.26Å; M557-F561 WeakPolarHBondContact O-CD2 3.49Å; M557-F561 PolarHBondContact O-N 2.92Å
558L90.4Very high85.4Confident107 Ų107102.3 Ų102.356%0.5650%0.504SS*.Hα-helixtrans-62.9-43.4175.2-75171.1000112.1L554 F555 F561 F562L554-L558 HydrophobicContact CD2-CD1 3.76Å; L554-L558 HydrophobicContact CD2-CG 4.16Å; L554-L558 WeakPolarHBondContact O-CG 3.49Å; L554-L558 PolarHBondContact O-N 2.95Å; F555-L558 PolarHBondContact O-N 2.91Å; L558-F561 PolarHBondContact O-N 2.88Å; L558-F562 VanDerWaalsContact O-CB 3.31Å; L558-F562 WeakPolarHBondContact O-CB 3.12Å; L558-F562 PolarHBondContact O-N 2.84Å
559L87.3Confident84.5Confident62 Ų62106.2 Ų106.233%0.32551%0.512SS..Hα-helixtrans-61.2-47.2173.7-73.6178.1000111.4F555 L556 F561 F562 F563F555-L559 HydrophobicContact CD1-CD1 3.94Å; F555-L559 HydrophobicContact CD1-CG 4.49Å; F555-L559 HydrophobicContact CE1-CD1 3.49Å; F555-L559 VanDerWaalsContact CE1-CD1 3.49Å; F555-L559 HydrophobicContact CE1-CG 4.19Å; F555-L559 HydrophobicContact CZ-CD1 3.91Å; F555-L559 HydrophobicContact CZ-CD2 4.43Å; F555-L559 HydrophobicContact CZ-CG 4.24Å; F555-L559 WeakPolarHBondContact O-CG 3.35Å; F555-L559 PolarHBondContact O-N 3.23Å; L556-L559 PolarHBondContact O-N 3.45Å; L559-F561 PolarHBondContact O-N 3.17Å; L559-F562 WeakPolarHBondContact O-CB 3.26Å; L559-F562 PolarHBondContact O-N 2.93Å; L559-F563 HydrophobicContact CB-CD2 4.42Å; L559-F563 HydrophobicContact CB-CE2 4.35Å; L559-F563 HydrophobicContact CD2-CE2 4.33Å; L559-F563 WeakPolarHBondContact O-CD2 3.49Å; L559-F563 PolarHBondContact O-N 3.41Å
560F89.6Confident83Confident115 Ų115100.9 Ų100.950%0.50450%0.5SS..Hα-helixtrans-57.6-46.3176.9177.4-101.5000111.9L556 M557 K564L556-F560 WeakPolarHBondContact O-CB 3.2Å; L556-F560 PolarHBondContact O-N 2.98Å; M557-F560 PolarHBondContact O-N 3.35Å; F560-K564 HydrophobicContact CE1-CD 3.95Å; F560-K564 HydrophobicContact CZ-CD 4.14Å; F560-K564 WeakPolarHBondContact O-CB 3.31Å; F560-K564 PolarHBondContact O-N 3.41Å
561F87.3Confident81.5Confident115 Ų115106.3 Ų106.350%0.50451%0.512SS..Hα-helixtrans-64.8-40.9174.9-84.6-67.8000112.6M557 L558 L559 K564 V565M557-F561 HydrophobicContact CE-CE2 3.85Å; M557-F561 VanDerWaalsContact O-CD2 3.26Å; M557-F561 WeakPolarHBondContact O-CD2 3.49Å; M557-F561 PolarHBondContact O-N 2.92Å; L558-F561 PolarHBondContact O-N 2.88Å; L559-F561 PolarHBondContact O-N 3.17Å; F561-K564 PolarHBondContact O-N 3.36Å; F561-V565 WeakPolarHBondContact O-CB 3.23Å; F561-V565 VanDerWaalsContact O-CG2 3.28Å; F561-V565 WeakPolarHBondContact O-CG2 3.42Å; F561-V565 PolarHBondContact O-N 2.99Å
562F87Confident80.2Confident122 Ų122108.7 Ų108.754%0.53552%0.519SS..Hα-helixtrans-59.7-49.7176.2178.8-96.7000111.8L558 L559 V565 R566L558-F562 VanDerWaalsContact O-CB 3.31Å; L558-F562 WeakPolarHBondContact O-CB 3.12Å; L558-F562 PolarHBondContact O-N 2.84Å; L559-F562 WeakPolarHBondContact O-CB 3.26Å; L559-F562 PolarHBondContact O-N 2.93Å; F562-V565 PolarHBondContact O-N 3.26Å; F562-R566 VanDerWaalsContact O-CB 3.29Å; F562-R566 WeakPolarHBondContact O-CB 3.29Å; F562-R566 PolarHBondContact O-N 3.44Å
563F82Confident78.5Confident128 Ų128115.2 Ų115.256%0.56153%0.534SS*.Hα-helixtrans-65.3-38.7176.9-73.1-63.6000112.3L559 R566 S567L559-F563 HydrophobicContact CB-CD2 4.42Å; L559-F563 HydrophobicContact CB-CE2 4.35Å; L559-F563 HydrophobicContact CD2-CE2 4.33Å; L559-F563 WeakPolarHBondContact O-CD2 3.49Å; L559-F563 PolarHBondContact O-N 3.41Å; F563-R566 PolarHBondContact O-N 2.9Å; F563-S567 VanDerWaalsContact O-CB 3.23Å; F563-S567 WeakPolarHBondContact O-CB 3.28Å; F563-S567 PolarHBondContact O-N 3.33Å
564K82.5Confident76.7Confident98 Ų98119 Ų11943%0.42655%0.545SS..Hα-helixtrans-65.9-39.2176.4-167.5170.4-173.7172.10112.4F560 F561 R568F560-K564 HydrophobicContact CE1-CD 3.95Å; F560-K564 HydrophobicContact CZ-CD 4.14Å; F560-K564 WeakPolarHBondContact O-CB 3.31Å; F560-K564 PolarHBondContact O-N 3.41Å; F561-K564 PolarHBondContact O-N 3.36Å; K564-R568 WeakPolarHBondContact O-CG 3.38Å; K564-R568 PolarHBondContact O-N 2.85Å; K564-R568 VanDerWaalsContact O-N 3.08Å
565V80.3Confident74.8Confident64 Ų64116.8 Ų116.839%0.38854%0.543SS..Hα-helixtrans-70.3-42.3173.9170.70000111.2F561 F562 R568 R569F561-V565 WeakPolarHBondContact O-CB 3.23Å; F561-V565 VanDerWaalsContact O-CG2 3.28Å; F561-V565 WeakPolarHBondContact O-CG2 3.42Å; F561-V565 PolarHBondContact O-N 2.99Å; F562-V565 PolarHBondContact O-N 3.26Å; V565-R568 PolarHBondContact O-N 3.39Å; V565-R569 WeakPolarHBondContact O-CG 3.38Å; V565-R569 PolarHBondContact O-N 3.02Å
566R76.8Confident72.7Confident157 Ų157120.9 Ų120.959%0.59256%0.555SS**Hα-helixtrans-62.9-43.6176.1-172.8173.7173.497-1.9111.7F562 F563 R569 C570F562-R566 VanDerWaalsContact O-CB 3.29Å; F562-R566 WeakPolarHBondContact O-CB 3.29Å; F562-R566 PolarHBondContact O-N 3.44Å; F563-R566 PolarHBondContact O-N 2.9Å; R566-R569 PolarHBondContact O-N 3.23Å; R566-C570 PolarHBondContact O-N 3.08Å
567S71.8Confident70.8Confident64 Ų64122.2 Ų122.245%0.44856%0.562SS.*Hα-helixtrans-58.4-47.7173.4-179.80000111.8F563 R569 C570 K571F563-S567 VanDerWaalsContact O-CB 3.23Å; F563-S567 WeakPolarHBondContact O-CB 3.28Å; F563-S567 PolarHBondContact O-N 3.33Å; S567-R569 PolarHBondContact O-N 2.82Å; S567-C570 PolarHBondContact O-N 3.39Å; S567-K571 PolarHBondContact O-N 2.84Å
568R70.5Confident68.8Low171 Ų171125.7 Ų125.765%0.64558%0.576SS**Hα-helixtrans-61.3-40.1174.9-77.6-179.6167.1-165.4-5.7112.8K564 V565 K571 L572K564-R568 WeakPolarHBondContact O-CG 3.38Å; K564-R568 PolarHBondContact O-N 2.85Å; K564-R568 VanDerWaalsContact O-N 3.08Å; V565-R568 PolarHBondContact O-N 3.39Å; R568-K571 PolarHBondContact O-N 3.36Å; R568-L572 PolarHBondContact O-N 3.09Å
569R66.6Low66.4Low182 Ų182130 Ų13069%0.68761%0.606SS**Hα-helixtrans-67.6-35.1175.7-71.7179-174.6-177.73.5112.8V565 R566 S567 R573V565-R569 WeakPolarHBondContact O-CG 3.38Å; V565-R569 PolarHBondContact O-N 3.02Å; R566-R569 PolarHBondContact O-N 3.23Å; S567-R569 PolarHBondContact O-N 2.82Å; R569-R573 PolarHBondContact O-N 3.4Å
570C56.8Low65.4Low64 Ų64133.4 Ų133.443%0.43262%0.621SS.*Hα-helixtrans-65.5-45.6171.3-83.10000112R566 S567 L572 R573 H574R566-C570 PolarHBondContact O-N 3.08Å; S567-C570 PolarHBondContact O-N 3.39Å; C570-L572 VanDerWaalsContact C-N 3.32Å; C570-L572 PolarHBondContact O-N 3.04Å; C570-R573 PolarHBondContact O-N 3.41Å; C570-R573 VanDerWaalsContact O-N 3.09Å; C570-H574 PolarHBondContact O-CD2 3.05Å; C570-H574 PolarHBondContact O-N 3.07Å
571K59.1Low64.1Low153 Ų153134.3 Ų134.367%0.66563%0.627SS**Hα-helixtrans-60.7-39.8176.1-68.7-170.9178.6-165.80112.3S567 R568 H574 A575S567-K571 PolarHBondContact O-N 2.84Å; R568-K571 PolarHBondContact O-N 3.36Å; K571-H574 PolarHBondContact O-N 3.49Å; K571-A575 PolarHBondContact O-N 3.44Å
572L55.1Low62.8Low116 Ų116135.4 Ų135.461%0.60763%0.633SS**Hα-helixtrans-67.8-28.2173.4-88.8156.8000114.2R568 C570R568-L572 PolarHBondContact O-N 3.09Å; C570-L572 VanDerWaalsContact C-N 3.32Å; C570-L572 PolarHBondContact O-N 3.04Å
573R53.7Low61.4Low200 Ų200136.2 Ų136.276%0.75564%0.639SS**Hα-helixtrans-71.4-44172.2-100.2-175.4169.8-176.1-4.1112R569 C570 A575 R576R569-R573 PolarHBondContact O-N 3.4Å; C570-R573 PolarHBondContact O-N 3.41Å; C570-R573 VanDerWaalsContact O-N 3.09Å; R573-A575 VanDerWaalsContact C-N 3.35Å; R573-A575 PolarHBondContact O-N 3.24Å; R573-R576 PolarHBondContact O-N 2.91Å
574H52.2Low60.1Low135 Ų135136.7 Ų136.763%0.62564%0.644SS**Hα-helixtrans-66.5-34.6176.7-75.3-69.2000112.8C570 K571 R576 L577C570-H574 PolarHBondContact O-CD2 3.05Å; C570-H574 PolarHBondContact O-N 3.07Å; K571-H574 PolarHBondContact O-N 3.49Å; H574-R576 PolarHBondContact O-N 3.28Å; H574-L577 PolarHBondContact O-N 3.2Å
575A49.5Very low58.6Low64 Ų64139.3 Ų139.353%0.52966%0.659SS.*THydrogen-bonded Turntrans-66.7-18.6174.900000114.5K571 R573K571-A575 PolarHBondContact O-N 3.44Å; R573-A575 VanDerWaalsContact C-N 3.35Å; R573-A575 PolarHBondContact O-N 3.24Å
576R49.1Very low57Low214 Ų214144.6 Ų144.681%0.80868%0.678SS**THydrogen-bonded Turntrans-95.12.3175.1-78.3-171.6176-175.8-1.5114.3R573 H574R573-R576 PolarHBondContact O-N 2.91Å; H574-R576 PolarHBondContact O-N 3.28Å
577L50.6Low55.5Low131 Ų131143.7 Ų143.769%0.68669%0.685SS**SBendtrans-105.77.2176.2-85156.8000112.7H574H574-L577 PolarHBondContact O-N 3.2Å
578H46.3Very low54.2Low177 Ų177150.3 Ų150.382%0.81970%0.704SS**  trans-134.437.7-179.9-83.8-61000112.7
579V40.4Very low52.7Low197 Ų197148.5 Ų148.5100%1.19471%0.71SS**  trans-132.70164-177.10000107.8

Retrieved 579 of 579 residues in 1120.1 ms (Link to these results)

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