PR38A_BOVIN Loading...

Pre-mRNA-splicing factor 38A

Involved in pre-mRNA splicing as a component of the spliceosome.

AlphaFold DB , UniProt , Accession Q0P5I6, Species BOVIN (Bos taurus, Bovine), Gene PRPF38A, Length 312 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
1M58Low81.9Confident193 Ų193105.5 Ų105.595%0.95155%0.551SS**  0114.70-80172.2165.300107.9N3 R4M1-N3 VanDerWaalsContact C-N 3.28Å; M1-N3 PolarHBondContact O-N 3.47Å; M1-R4 HydrophobicContact CB-CG 4.13Å
2A72.6Confident82.1Confident79 Ų7998.3 Ų98.365%0.65351%0.513SS*.THydrogen-bonded Turntrans-68.3-25-176.800000113.7R4 Q79A2-R4 VanDerWaalsContact C-N 3.29Å; A2-R4 PolarHBondContact O-N 3.19Å; A2-Q79 PolarHBondContact O-NE2 3.03Å
3N83.3Confident82.1Confident48 Ų4898.5 Ų98.526%0.25751%0.509SS..THydrogen-bonded Turntrans-88.917-175-53.1-10.5000113.7M1 Q18 Y30 W35M1-N3 VanDerWaalsContact C-N 3.28Å; M1-N3 PolarHBondContact O-N 3.47Å; N3-Q18 PolarHBondContact O-NE2 2.98Å; N3-Y30 HydrophobicContact CB-CD1 3.92Å; N3-Y30 HydrophobicContact CB-CD2 4.14Å; N3-Y30 HydrophobicContact CB-CE1 3.7Å; N3-Y30 HydrophobicContact CB-CE2 3.91Å; N3-Y30 HydrophobicContact CB-CG 4.16Å; N3-Y30 VanDerWaalsContact ND2-CB 3.32Å; N3-Y30 WeakPolarHBondContact ND2-CB 3.11Å; N3-Y30 WeakPolarHBondContact ND2-CD1 3.42Å; N3-Y30 PolarHBondContact O-OH 3.28Å; N3-W35 HydrophobicContact CB-CZ2 4.46Å; N3-W35 PolarHBondContact OD1-NE1 3.27Å
4R86Confident82.3Confident176 Ų17696.6 Ų96.666%0.66453%0.525SS*.SBendtrans-74.3147.6169-71.3-177.2177.7-179.6-1.9109M1 A2 Q79M1-R4 HydrophobicContact CB-CG 4.13Å; A2-R4 VanDerWaalsContact C-N 3.29Å; A2-R4 PolarHBondContact O-N 3.19Å; R4-Q79 WeakPolarHBondContact O-CG 3.09Å; R4-Q79 PolarHBondContact O-NE2 3.1Å
5T85.6Confident82.7Confident22 Ų2294.1 Ų94.114%0.13552%0.515CS..PPolyproline II helixtrans-51.6148.2167.2-33.10000110.1A9 N16 P17 Q79T5-A9 HydrophobicContact CG2-CB 3.5Å; T5-N16 VanDerWaalsContact OG1-CG 3.29Å; T5-N16 PolarHBondContact OG1-ND2 3.28Å; T5-N16 PolarHBondContact OG1-OD1 3.07Å; T5-P17 HydrophobicContact CG2-CG 3.94Å; T5-Q79 WeakPolarHBondContact CA-O 3.07Å; T5-Q79 VanDerWaalsContact CG2-O 3.31Å; T5-Q79 WeakPolarHBondContact CG2-O 3.49Å
6V86.8Confident83.1Confident60 Ų6091.6 Ų91.636%0.36450%0.5SS..PPolyproline II helixtrans-59.7156173.7-60.20000110.5D8 A9 Q79 I80V6-D8 PolarHBondContact O-N 3.17Å; V6-A9 HydrophobicContact CG2-CB 3.77Å; V6-A9 PolarHBondContact O-N 3.31Å; V6-Q79 PolarHBondContact N-O 3.38Å; V6-I80 WeakPolarHBondContact CG2-O 3.49Å
7K84.4Confident83.5Confident203 Ų20386.3 Ų86.388%0.88347%0.472SS*.THydrogen-bonded Turntrans-67.2-27.3-174.9-69.3-178.2179.9177.10112.6A9K7-A9 VanDerWaalsContact C-N 3.33Å
8D85.6Confident83.9Confident130 Ų13082.1 Ų82.170%0.69545%0.448SS*.THydrogen-bonded Turntrans-93.9-1.4-168.7-34.8-79.1000110.9V6 H10V6-D8 PolarHBondContact O-N 3.17Å; D8-H10 PolarHBondContact O-CE1 3.25Å; D8-H10 PolarHBondContact O-ND1 3.23Å; D8-H10 VanDerWaalsContact O-ND1 3.15Å
9A82.9Confident84.3Confident25 Ų2585.4 Ų85.421%0.20745%0.454CS..PPolyproline II helixtrans-73.6135.4172.900000111.1T5 V6 K7 Q81T5-A9 HydrophobicContact CG2-CB 3.5Å; V6-A9 HydrophobicContact CG2-CB 3.77Å; V6-A9 PolarHBondContact O-N 3.31Å; K7-A9 VanDerWaalsContact C-N 3.33Å; A9-Q81 VanDerWaalsContact CA-OE1 3.29Å; A9-Q81 HydrophobicContact CB-CB 4.16Å
10H87.6Confident84.6Confident137 Ų13782.6 Ų82.663%0.63444%0.439SS*.PPolyproline II helixtrans-88.1162.4179.8-64.362.8000110.3D8 I12 Q81D8-H10 PolarHBondContact O-CE1 3.25Å; D8-H10 PolarHBondContact O-ND1 3.23Å; D8-H10 VanDerWaalsContact O-ND1 3.15Å; H10-I12 PolarHBondContact O-N 2.96Å; H10-Q81 PolarHBondContact O-OE1 3.42Å
11S87.9Confident84.9Confident88 Ų8878.6 Ų78.662%0.61542%0.418SS*.PPolyproline II helixtrans-74.5127175.3460000111.1T15S11-T15 CarbonylContact C-O 3.6Å; S11-T15 WeakPolarHBondContact CA-O 3.31Å; S11-T15 WeakPolarHBondContact CB-O 3.38Å
12I84.1Confident86.5Confident19 Ų1972.8 Ų72.810%0.09739%0.389CS..BIsolated β-bridgetrans-101.8128.8177-62.7-58.7000108.5H10 G14 T15 P17 L20 T110H10-I12 PolarHBondContact O-N 2.96Å; I12-G14 PolarHBondContact O-N 3.18Å; I12-G14 VanDerWaalsContact O-N 3.16Å; I12-T15 PolarHBondContact N-O 2.84Å; I12-T15 PolarHBondContact O-N 2.85Å; I12-T15 PolarHBondContact O-OG1 2.8Å; I12-T15 VanDerWaalsContact O-OG1 3.12Å; I12-P17 HydrophobicContact CB-CB 4.1Å; I12-P17 HydrophobicContact CG1-CB 3.88Å; I12-P17 HydrophobicContact CG1-CG 4.35Å; I12-L20 HydrophobicContact CG2-CD1 4.33Å; I12-T110 HydrophobicContact CG1-CG2 4.37Å; I12-T110 HydrophobicContact CG2-CG2 4.18Å
13H82.5Confident87.4Confident101 Ų10177 Ų7747%0.46839%0.393SS..THydrogen-bonded Turntrans47.139.4-170.9-58.4-65.4000113.5T15 L109 P163H13-T15 PolarHBondContact O-N 2.69Å; H13-L109 PolarHBondContact NE2-O 3.39Å; H13-P163 WeakPolarHBondContact CD2-CG 3.4Å; H13-P163 VanDerWaalsContact NE2-CB 3.34Å; H13-P163 WeakPolarHBondContact NE2-CB 3.37Å; H13-P163 WeakPolarHBondContact NE2-CG 3.44Å
14G84.5Confident87.8Confident71 Ų7179.6 Ų79.673%0.73241%0.405SS*.THydrogen-bonded Turntrans72.86.6-179.100000115.3I12I12-G14 PolarHBondContact O-N 3.18Å; I12-G14 VanDerWaalsContact O-N 3.16Å
15T88.6Confident88.1Confident60 Ų6071.6 Ų71.637%0.36838%0.375SS..BIsolated β-bridgetrans-126.8177.1-178.970.30000111.7S11 I12 H13S11-T15 CarbonylContact C-O 3.6Å; S11-T15 WeakPolarHBondContact CA-O 3.31Å; S11-T15 WeakPolarHBondContact CB-O 3.38Å; I12-T15 PolarHBondContact N-O 2.84Å; I12-T15 PolarHBondContact O-N 2.85Å; I12-T15 PolarHBondContact O-OG1 2.8Å; I12-T15 VanDerWaalsContact O-OG1 3.12Å; H13-T15 PolarHBondContact O-N 2.69Å
16N89.3Confident88.5Confident53 Ų5372.2 Ų72.228%0.28338%0.375SS..  trans-70.5130.7168.6-179.6-57.5000109T5 Q18 Y19T5-N16 VanDerWaalsContact OG1-CG 3.29Å; T5-N16 PolarHBondContact OG1-ND2 3.28Å; T5-N16 PolarHBondContact OG1-OD1 3.07Å; N16-Q18 PolarHBondContact O-N 3.17Å; N16-Q18 VanDerWaalsContact O-N 3.08Å; N16-Q18 WeakPolarHBondContact OD1-CB 3.3Å; N16-Q18 PolarHBondContact OD1-N 3.12Å; N16-Y19 HydrophobicContact CB-CD1 3.78Å; N16-Y19 HydrophobicContact CB-CD2 4.26Å; N16-Y19 HydrophobicContact CB-CE1 3.92Å; N16-Y19 HydrophobicContact CB-CE2 4.38Å; N16-Y19 HydrophobicContact CB-CG 3.98Å; N16-Y19 VanDerWaalsContact O-CB 3.27Å; N16-Y19 WeakPolarHBondContact O-CB 3.28Å; N16-Y19 PolarHBondContact O-N 3.33Å
17P89.9Confident88.8Confident2 Ų272.4 Ų72.41%0.01338%0.376CS..G310 helixtrans-54.3-31.8-176.216-29.7000114.6T5 I12 Y19 L20 L78T5-P17 HydrophobicContact CG2-CG 3.94Å; I12-P17 HydrophobicContact CB-CB 4.1Å; I12-P17 HydrophobicContact CG1-CB 3.88Å; I12-P17 HydrophobicContact CG1-CG 4.35Å; P17-Y19 PolarHBondContact O-N 2.95Å; P17-L20 WeakPolarHBondContact O-CG 3.45Å; P17-L78 HydrophobicContact CB-CB 4.36Å; P17-L78 HydrophobicContact CB-CD2 3.89Å; P17-L78 WeakPolarHBondContact CG-O 3.23Å
18Q90.5Very high89.2Confident10 Ų1067.4 Ų67.45%0.04735%0.352CS..G310 helixtrans-62.4-23174-64.4-172.5-4.500113.4N3 N16 L20 V21 R26 Y30 L75N3-Q18 PolarHBondContact O-NE2 2.98Å; N16-Q18 PolarHBondContact O-N 3.17Å; N16-Q18 VanDerWaalsContact O-N 3.08Å; N16-Q18 WeakPolarHBondContact OD1-CB 3.3Å; N16-Q18 PolarHBondContact OD1-N 3.12Å; Q18-L20 PolarHBondContact O-N 3.03Å; Q18-V21 PolarHBondContact O-N 2.65Å; Q18-V21 VanDerWaalsContact O-N 3.17Å; Q18-R26 WeakPolarHBondContact O-CD 3.46Å; Q18-R26 PolarHBondContact O-NE 3.46Å; Q18-Y30 VanDerWaalsContact CD-OH 3.3Å; Q18-Y30 PolarHBondContact NE2-OH 3.45Å; Q18-Y30 PolarHBondContact OE1-OH 2.85Å; Q18-L75 HydrophobicContact CB-CD1 4.11Å; Q18-L75 HydrophobicContact CG-CD1 4.13Å
19Y92Very high89.5Confident145 Ų14561.2 Ų61.257%0.56932%0.319SS*.G310 helixtrans-77-12.1-170.3-71.118.8000113.1N16 P17 V21N16-Y19 HydrophobicContact CB-CD1 3.78Å; N16-Y19 HydrophobicContact CB-CD2 4.26Å; N16-Y19 HydrophobicContact CB-CE1 3.92Å; N16-Y19 HydrophobicContact CB-CE2 4.38Å; N16-Y19 HydrophobicContact CB-CG 3.98Å; N16-Y19 VanDerWaalsContact O-CB 3.27Å; N16-Y19 WeakPolarHBondContact O-CB 3.28Å; N16-Y19 PolarHBondContact O-N 3.33Å; P17-Y19 PolarHBondContact O-N 2.95Å; Y19-V21 PolarHBondContact O-N 3.03Å
20L89.7Confident90Very high29 Ų2962.3 Ų62.315%0.15232%0.318CS..G310 helixtrans-60-30.2166.5-56.6178.9000111.9I12 P17 Q18 L78 L109 P163I12-L20 HydrophobicContact CG2-CD1 4.33Å; P17-L20 WeakPolarHBondContact O-CG 3.45Å; Q18-L20 PolarHBondContact O-N 3.03Å; L20-L78 HydrophobicContact CD1-CD2 4.31Å; L20-L109 HydrophobicContact CD1-CB 4.11Å; L20-L109 HydrophobicContact CD1-CD2 4.39Å; L20-L109 VanDerWaalsContact CD1-O 3.25Å; L20-L109 WeakPolarHBondContact CD1-O 3.11Å; L20-P163 HydrophobicContact CD1-CG 4.4Å; L20-P163 HydrophobicContact CD2-CG 4.11Å
21V91.4Very high90.2Very high0 Ų060.3 Ų60.30%031%0.309CS..SBendtrans-89.3129.4175.3-1740000110.1Q18 Y19 I25 R26 I29 L75 L78 I160Q18-V21 PolarHBondContact O-N 2.65Å; Q18-V21 VanDerWaalsContact O-N 3.17Å; Y19-V21 PolarHBondContact O-N 3.03Å; V21-I25 HydrophobicContact CG1-CB 3.95Å; V21-I25 HydrophobicContact CG1-CG2 3.53Å; V21-R26 HydrophobicContact CB-CG 3.83Å; V21-R26 HydrophobicContact CG1-CG 3.74Å; V21-R26 PolarHBondContact O-NE 2.88Å; V21-R26 PolarHBondContact O-NH2 3.05Å; V21-I29 HydrophobicContact CG1-CD1 4.41Å; V21-L75 HydrophobicContact CB-CD1 4.24Å; V21-L75 HydrophobicContact CG2-CD1 4.04Å; V21-L78 HydrophobicContact CG2-CD1 4.01Å; V21-I160 HydrophobicContact CG2-CD1 4.21Å; V21-I160 HydrophobicContact CG2-CG1 4.37Å
22E91.3Very high90.4Very high71 Ų7157.2 Ų57.233%0.33229%0.287SS..  trans-52.5142.5-178.5-67.7-172-164.600112.3I24 I25 R26 R156E22-I24 VanDerWaalsContact C-N 3.25Å; E22-I24 PolarHBondContact O-N 2.97Å; E22-I25 HydrophobicContact CB-CB 4.33Å; E22-I25 HydrophobicContact CB-CD1 4.08Å; E22-I25 HydrophobicContact CB-CG1 4.11Å; E22-I25 HydrophobicContact CG-CD1 4.42Å; E22-I25 PolarHBondContact O-N 3.42Å; E22-I25 VanDerWaalsContact O-N 3.1Å; E22-R26 PolarHBondContact O-N 3.31Å; E22-R156 IonicContact OE1-CZ 2.73Å; E22-R156 IonicContact OE1-NH1 3.39Å; E22-R156 PolarHBondContact OE1-NH1 3.38Å; E22-R156 IonicContact OE1-NH2 3.69Å
23K91.4Very high90.8Very high168 Ų16863.1 Ų63.173%0.7331%0.312SS*.Hα-helixtrans-55-39.3-177-177.9-178.9175.7-1760112.9T27K23-T27 PolarHBondContact O-N 2.86Å; K23-T27 VanDerWaalsContact O-N 3.14Å; K23-T27 PolarHBondContact O-OG1 3.41Å
24I92.2Very high91.3Very high101 Ų10160.5 Ų60.552%0.51830%0.299SS..Hα-helixtrans-66.3-47.1179.7-58.5173.7000110.2E22 R26 T27 R28 I65E22-I24 VanDerWaalsContact C-N 3.25Å; E22-I24 PolarHBondContact O-N 2.97Å; I24-R26 PolarHBondContact O-N 2.84Å; I24-T27 PolarHBondContact O-N 2.79Å; I24-R28 PolarHBondContact O-N 3.34Å; I24-R28 VanDerWaalsContact O-N 3.08Å; I24-I65 HydrophobicContact CG2-CD1 3.99Å
25I92.3Very high91.7Very high8 Ų857.6 Ų57.64%0.04127%0.265CS..Hα-helixtrans-60.9-44.6178.4-63.9-178.8000110.4V21 E22 T27 R28 I29 V60 I65 L71 D159V21-I25 HydrophobicContact CG1-CB 3.95Å; V21-I25 HydrophobicContact CG1-CG2 3.53Å; E22-I25 HydrophobicContact CB-CB 4.33Å; E22-I25 HydrophobicContact CB-CD1 4.08Å; E22-I25 HydrophobicContact CB-CG1 4.11Å; E22-I25 HydrophobicContact CG-CD1 4.42Å; E22-I25 PolarHBondContact O-N 3.42Å; E22-I25 VanDerWaalsContact O-N 3.1Å; I25-T27 PolarHBondContact O-N 3.35Å; I25-R28 PolarHBondContact O-N 3.07Å; I25-R28 VanDerWaalsContact O-N 3.14Å; I25-I29 HydrophobicContact CG2-CD1 3.77Å; I25-I29 HydrophobicContact CG2-CG1 4.44Å; I25-I29 WeakPolarHBondContact O-CG1 3.36Å; I25-I29 PolarHBondContact O-N 2.82Å; I25-V60 HydrophobicContact CD1-CG1 4.32Å; I25-V60 HydrophobicContact CD1-CG2 4.33Å; I25-V60 HydrophobicContact CG1-CG1 4.18Å; I25-V60 HydrophobicContact CG2-CG1 3.98Å; I25-I65 HydrophobicContact CG1-CG2 4.38Å; I25-L71 HydrophobicContact CG2-CD2 3.74Å; I25-D159 HydrophobicContact CD1-CB 4.02Å
26R92.8Very high91.8Very high36 Ų3660.6 Ų60.614%0.13627%0.273CS..Hα-helixtrans-61-42.6176.2-74.1-168.3-83152.1-7.1113.5Q18 V21 E22 I24 R28 I29 Y30 L75Q18-R26 WeakPolarHBondContact O-CD 3.46Å; Q18-R26 PolarHBondContact O-NE 3.46Å; V21-R26 HydrophobicContact CB-CG 3.83Å; V21-R26 HydrophobicContact CG1-CG 3.74Å; V21-R26 PolarHBondContact O-NE 2.88Å; V21-R26 PolarHBondContact O-NH2 3.05Å; E22-R26 PolarHBondContact O-N 3.31Å; I24-R26 PolarHBondContact O-N 2.84Å; R26-R28 VanDerWaalsContact C-N 3.31Å; R26-R28 PolarHBondContact O-N 2.85Å; R26-I29 PolarHBondContact O-N 3.09Å; R26-Y30 HydrophobicContact CB-CE2 4.23Å; R26-Y30 VanDerWaalsContact O-CD2 3.31Å; R26-Y30 WeakPolarHBondContact O-CD2 3.1Å; R26-Y30 PolarHBondContact O-N 3.48Å; R26-L75 HydrophobicContact CB-CD2 4.35Å; R26-L75 HydrophobicContact CG-CD1 3.92Å; R26-L75 HydrophobicContact CG-CD2 3.8Å
27T92.9Very high91.9Very high63 Ų6363 Ų6339%0.38728%0.283SS..Hα-helixtrans-58.1-44.9172.9-660000111.1K23 I24 I25 I29 Y30 E31K23-T27 PolarHBondContact O-N 2.86Å; K23-T27 VanDerWaalsContact O-N 3.14Å; K23-T27 PolarHBondContact O-OG1 3.41Å; I24-T27 PolarHBondContact O-N 2.79Å; I25-T27 PolarHBondContact O-N 3.35Å; T27-I29 PolarHBondContact O-N 3.47Å; T27-Y30 PolarHBondContact O-N 3.07Å; T27-E31 HydrophobicContact CG2-CG 4.41Å; T27-E31 WeakPolarHBondContact CG2-OE1 3.48Å; T27-E31 WeakPolarHBondContact O-CB 3.44Å; T27-E31 VanDerWaalsContact O-CG 3.29Å; T27-E31 WeakPolarHBondContact O-CG 3.48Å; T27-E31 PolarHBondContact O-N 3.15Å
28R92.9Very high91.9Very high98 Ų9865.7 Ų65.737%0.3730%0.296SS..Hα-helixtrans-65.2-35.4177.3-71.2-66.4-171.3-116.3-3.9113.8I24 I25 R26 E31 S32 N64 I65I24-R28 PolarHBondContact O-N 3.34Å; I24-R28 VanDerWaalsContact O-N 3.08Å; I25-R28 PolarHBondContact O-N 3.07Å; I25-R28 VanDerWaalsContact O-N 3.14Å; R26-R28 VanDerWaalsContact C-N 3.31Å; R26-R28 PolarHBondContact O-N 2.85Å; R28-E31 WeakPolarHBondContact CD-OE2 3.47Å; R28-E31 IonicContact CZ-OE2 2.71Å; R28-E31 IonicContact NH1-OE1 3.93Å; R28-E31 IonicContact NH1-OE2 3.85Å; R28-E31 PolarHBondContact NH1-OE2 3.42Å; R28-E31 PolarHBondContact O-N 3.12Å; R28-S32 WeakPolarHBondContact O-CB 3.49Å; R28-S32 PolarHBondContact O-N 3.35Å; R28-N64 PolarHBondContact NE-O 3.33Å; R28-I65 WeakPolarHBondContact CB-O 3.48Å; R28-I65 HydrophobicContact CG-CB 4.27Å; R28-I65 HydrophobicContact CG-CG2 4.35Å; R28-I65 WeakPolarHBondContact CG-O 3.5Å
29I93.3Very high91.8Very high0 Ų065.4 Ų65.40%029%0.294CS..Hα-helixtrans-63.5-50.7172.2-68.6161.8000110.2V21 I25 R26 T27 E31 S32 W35 P67 L71 C72 L75V21-I29 HydrophobicContact CG1-CD1 4.41Å; I25-I29 HydrophobicContact CG2-CD1 3.77Å; I25-I29 HydrophobicContact CG2-CG1 4.44Å; I25-I29 WeakPolarHBondContact O-CG1 3.36Å; I25-I29 PolarHBondContact O-N 2.82Å; R26-I29 PolarHBondContact O-N 3.09Å; T27-I29 PolarHBondContact O-N 3.47Å; I29-E31 PolarHBondContact O-N 3.17Å; I29-S32 VanDerWaalsContact O-CB 3.29Å; I29-S32 WeakPolarHBondContact O-CB 3.14Å; I29-S32 PolarHBondContact O-N 3.07Å; I29-S32 PolarHBondContact O-OG 2.68Å; I29-W35 HydrophobicContact CG2-CB 4.28Å; I29-W35 HydrophobicContact CG2-CD2 3.78Å; I29-W35 HydrophobicContact CG2-CE3 3.29Å; I29-W35 HydrophobicContact CG2-CG 4.21Å; I29-W35 HydrophobicContact CG2-CZ3 3.88Å; I29-W35 WeakPolarHBondContact O-CB 3.22Å; I29-P67 HydrophobicContact CD1-CB 4.49Å; I29-P67 HydrophobicContact CG1-CB 3.6Å; I29-P67 HydrophobicContact CG1-CG 3.82Å; I29-L71 HydrophobicContact CD1-CD2 4.27Å; I29-L71 HydrophobicContact CD1-CG 3.98Å; I29-C72 HydrophobicContact CG2-CB 4.41Å; I29-L75 HydrophobicContact CB-CD2 3.94Å; I29-L75 HydrophobicContact CD1-CB 4.13Å; I29-L75 HydrophobicContact CD1-CD2 3.71Å; I29-L75 HydrophobicContact CG1-CD2 4.44Å; I29-L75 HydrophobicContact CG2-CD2 3.64Å
30Y92.5Very high91.5Very high49 Ų4965.8 Ų65.819%0.19230%0.299CS..Hα-helixtrans-64.6-26178.7-59.4-21.6000113.9N3 Q18 R26 T27 W35 K36 L75N3-Y30 HydrophobicContact CB-CD1 3.92Å; N3-Y30 HydrophobicContact CB-CD2 4.14Å; N3-Y30 HydrophobicContact CB-CE1 3.7Å; N3-Y30 HydrophobicContact CB-CE2 3.91Å; N3-Y30 HydrophobicContact CB-CG 4.16Å; N3-Y30 VanDerWaalsContact ND2-CB 3.32Å; N3-Y30 WeakPolarHBondContact ND2-CB 3.11Å; N3-Y30 WeakPolarHBondContact ND2-CD1 3.42Å; N3-Y30 PolarHBondContact O-OH 3.28Å; Q18-Y30 VanDerWaalsContact CD-OH 3.3Å; Q18-Y30 PolarHBondContact NE2-OH 3.45Å; Q18-Y30 PolarHBondContact OE1-OH 2.85Å; R26-Y30 HydrophobicContact CB-CE2 4.23Å; R26-Y30 VanDerWaalsContact O-CD2 3.31Å; R26-Y30 WeakPolarHBondContact O-CD2 3.1Å; R26-Y30 PolarHBondContact O-N 3.48Å; T27-Y30 PolarHBondContact O-N 3.07Å; Y30-W35 HydrophobicContact CD1-CD2 4.07Å; Y30-W35 AromaticContact CD1-CE2 3.63Å; Y30-W35 HydrophobicContact CD1-CG 4.45Å; Y30-W35 HydrophobicContact CD1-CH2 4.48Å; Y30-W35 AromaticContact CD1-CZ2 3.87Å; Y30-W35 HydrophobicContact CD1-CZ2 3.87Å; Y30-W35 AromaticContact CD1-NE1 3.76Å; Y30-W35 HydrophobicContact CE1-CD2 4.49Å; Y30-W35 AromaticContact CE1-CE2 3.88Å; Y30-W35 AromaticContact CE1-CH2 3.96Å; Y30-W35 HydrophobicContact CE1-CH2 3.96Å; Y30-W35 AromaticContact CE1-CZ2 3.61Å; Y30-W35 HydrophobicContact CE1-CZ2 3.61Å; Y30-K36 VanDerWaalsContact O-CE 3.23Å; Y30-K36 WeakPolarHBondContact O-CE 3.34Å; Y30-L75 HydrophobicContact CD1-CD2 4.31Å; Y30-L75 HydrophobicContact CE1-CD2 3.51Å; Y30-L75 HydrophobicContact CE1-CG 4.47Å
31E91.7Very high91.2Very high95 Ų9567.3 Ų67.344%0.44432%0.322SS..Hα-helixtrans-79.3-23.8172.7-74.9170.9173.100113.3T27 R28 I29 K36T27-E31 HydrophobicContact CG2-CG 4.41Å; T27-E31 WeakPolarHBondContact CG2-OE1 3.48Å; T27-E31 WeakPolarHBondContact O-CB 3.44Å; T27-E31 VanDerWaalsContact O-CG 3.29Å; T27-E31 WeakPolarHBondContact O-CG 3.48Å; T27-E31 PolarHBondContact O-N 3.15Å; R28-E31 WeakPolarHBondContact CD-OE2 3.47Å; R28-E31 IonicContact CZ-OE2 2.71Å; R28-E31 IonicContact NH1-OE1 3.93Å; R28-E31 IonicContact NH1-OE2 3.85Å; R28-E31 PolarHBondContact NH1-OE2 3.42Å; R28-E31 PolarHBondContact O-N 3.12Å; I29-E31 PolarHBondContact O-N 3.17Å; E31-K36 WeakPolarHBondContact O-CE 3.35Å; E31-K36 PolarHBondContact O-NZ 2.85Å
32S92Very high91Very high22 Ų2268.2 Ų68.215%0.15433%0.327CS..SBendtrans-64.3154-172.277.40000113.9R28 I29 W35 K36R28-S32 WeakPolarHBondContact O-CB 3.49Å; R28-S32 PolarHBondContact O-N 3.35Å; I29-S32 VanDerWaalsContact O-CB 3.29Å; I29-S32 WeakPolarHBondContact O-CB 3.14Å; I29-S32 PolarHBondContact O-N 3.07Å; I29-S32 PolarHBondContact O-OG 2.68Å; S32-W35 VanDerWaalsContact OG-CB 3.29Å; S32-W35 WeakPolarHBondContact OG-CB 3.35Å; S32-W35 PolarHBondContact OG-N 2.71Å; S32-W35 VanDerWaalsContact OG-N 3.11Å; S32-K36 WeakPolarHBondContact O-CD 3.23Å; S32-K36 WeakPolarHBondContact O-CG 3.28Å; S32-K36 PolarHBondContact O-N 2.93Å
33K92.9Very high90.8Very high143 Ų14367.8 Ų67.862%0.62233%0.329SS*.Hα-helixtrans-63.4-48.1173.7-170.6178.2-163.9-82.80111W35 K36 E37K33-W35 PolarHBondContact O-N 2.75Å; K33-K36 PolarHBondContact O-N 3.21Å; K33-K36 VanDerWaalsContact O-N 3.09Å; K33-E37 WeakPolarHBondContact CE-OE1 2.99Å; K33-E37 VanDerWaalsContact CG-CD 3.5Å; K33-E37 HydrophobicContact CG-CG 4.44Å; K33-E37 VanDerWaalsContact CG-OE1 3.26Å; K33-E37 WeakPolarHBondContact CG-OE1 3.44Å; K33-E37 IonicContact NZ-OE1 3.87Å; K33-E37 PolarHBondContact NZ-OE1 3.28Å; K33-E37 IonicContact NZ-OE2 2.76Å; K33-E37 PolarHBondContact NZ-OE2 2.86Å; K33-E37 PolarHBondContact O-N 3.1Å
34Y92.8Very high90.5Very high46 Ų4660.7 Ų60.718%0.1830%0.302CS..Hα-helixtrans-58.4-43.2-178.7-171.7-94000112.5K36 E37 E38 C39 P69 C72 L73Y34-K36 VanDerWaalsContact C-N 3.3Å; Y34-K36 PolarHBondContact O-N 3.49Å; Y34-E37 PolarHBondContact O-N 3.25Å; Y34-E38 HydrophobicContact CD1-CB 4.4Å; Y34-E38 HydrophobicContact CD2-CB 3.88Å; Y34-E38 HydrophobicContact CD2-CG 3.6Å; Y34-E38 HydrophobicContact CE1-CB 4.24Å; Y34-E38 HydrophobicContact CE2-CB 3.68Å; Y34-E38 HydrophobicContact CE2-CG 3.63Å; Y34-E38 HydrophobicContact CG-CB 4.23Å; Y34-E38 HydrophobicContact CG-CG 4.27Å; Y34-E38 WeakPolarHBondContact O-CA 3.4Å; Y34-E38 WeakPolarHBondContact O-CB 3.5Å; Y34-E38 PolarHBondContact O-N 3.04Å; Y34-C39 PolarHBondContact O-N 3.04Å; Y34-P69 HydrophobicContact CD1-CB 4.29Å; Y34-P69 HydrophobicContact CD2-CB 4.17Å; Y34-P69 HydrophobicContact CD2-CG 4.35Å; Y34-P69 HydrophobicContact CE1-CB 3.96Å; Y34-P69 HydrophobicContact CE2-CB 3.85Å; Y34-P69 HydrophobicContact CE2-CG 4.4Å; Y34-P69 HydrophobicContact CG-CB 4.38Å; Y34-C72 HydrophobicContact CD1-CB 3.53Å; Y34-C72 HydrophobicContact CE1-CB 3.89Å; Y34-L73 HydrophobicContact CE1-CD2 4.18Å; Y34-L73 HydrophobicContact CE1-CG 4.15Å
35W93Very high90.2Very high10 Ų1063 Ų634%0.03831%0.31CS..Hα-helixtrans-63.6-35176.7-177.1-87.6000113.6N3 I29 Y30 S32 K33 C39 F40 C72 L75 K76N3-W35 HydrophobicContact CB-CZ2 4.46Å; N3-W35 PolarHBondContact OD1-NE1 3.27Å; I29-W35 HydrophobicContact CG2-CB 4.28Å; I29-W35 HydrophobicContact CG2-CD2 3.78Å; I29-W35 HydrophobicContact CG2-CE3 3.29Å; I29-W35 HydrophobicContact CG2-CG 4.21Å; I29-W35 HydrophobicContact CG2-CZ3 3.88Å; I29-W35 WeakPolarHBondContact O-CB 3.22Å; Y30-W35 HydrophobicContact CD1-CD2 4.07Å; Y30-W35 AromaticContact CD1-CE2 3.63Å; Y30-W35 HydrophobicContact CD1-CG 4.45Å; Y30-W35 HydrophobicContact CD1-CH2 4.48Å; Y30-W35 AromaticContact CD1-CZ2 3.87Å; Y30-W35 HydrophobicContact CD1-CZ2 3.87Å; Y30-W35 AromaticContact CD1-NE1 3.76Å; Y30-W35 HydrophobicContact CE1-CD2 4.49Å; Y30-W35 AromaticContact CE1-CE2 3.88Å; Y30-W35 AromaticContact CE1-CH2 3.96Å; Y30-W35 HydrophobicContact CE1-CH2 3.96Å; Y30-W35 AromaticContact CE1-CZ2 3.61Å; Y30-W35 HydrophobicContact CE1-CZ2 3.61Å; S32-W35 VanDerWaalsContact OG-CB 3.29Å; S32-W35 WeakPolarHBondContact OG-CB 3.35Å; S32-W35 PolarHBondContact OG-N 2.71Å; S32-W35 VanDerWaalsContact OG-N 3.11Å; K33-W35 PolarHBondContact O-N 2.75Å; W35-C39 HydrophobicContact CB-CB 4.49Å; W35-C39 HydrophobicContact CD2-CB 3.9Å; W35-C39 HydrophobicContact CE3-CB 3.74Å; W35-C39 HydrophobicContact CG-CB 4.26Å; W35-C39 HydrophobicContact CZ3-CB 4.28Å; W35-C39 CarbonylContact O-C 3.48Å; W35-C39 WeakPolarHBondContact O-CB 3.39Å; W35-C39 PolarHBondContact O-N 3.32Å; W35-F40 PolarHBondContact O-N 3.24Å; W35-C72 WeakPolarHBondContact CZ3-O 3.22Å; W35-L75 HydrophobicContact CH2-CD2 4.38Å; W35-L75 HydrophobicContact CH2-CG 4.3Å; W35-L75 HydrophobicContact CZ3-CB 4.18Å; W35-L75 HydrophobicContact CZ3-CD2 4.19Å; W35-L75 HydrophobicContact CZ3-CG 4.17Å; W35-K76 HydrophobicContact CH2-CB 4.14Å; W35-K76 HydrophobicContact CH2-CD 4.04Å; W35-K76 HydrophobicContact CZ3-CB 3.77Å; W35-K76 HydrophobicContact CZ3-CD 4.41Å
36K90.9Very high90Very high123 Ų12366.5 Ų66.554%0.53533%0.328SS..Hα-helixtrans-80.8-27.6-176-69.7168.2-179.7164.90113.5Y30 E31 S32 K33 Y34Y30-K36 VanDerWaalsContact O-CE 3.23Å; Y30-K36 WeakPolarHBondContact O-CE 3.34Å; E31-K36 WeakPolarHBondContact O-CE 3.35Å; E31-K36 PolarHBondContact O-NZ 2.85Å; S32-K36 WeakPolarHBondContact O-CD 3.23Å; S32-K36 WeakPolarHBondContact O-CG 3.28Å; S32-K36 PolarHBondContact O-N 2.93Å; K33-K36 PolarHBondContact O-N 3.21Å; K33-K36 VanDerWaalsContact O-N 3.09Å; Y34-K36 VanDerWaalsContact C-N 3.3Å; Y34-K36 PolarHBondContact O-N 3.49Å
37E91.9Very high89.9Confident103 Ų10364.8 Ų64.848%0.48132%0.322SS..Hα-helixtrans-100.8-50.7-179.1-66.9171.6-171.400111K33 Y34K33-E37 WeakPolarHBondContact CE-OE1 2.99Å; K33-E37 VanDerWaalsContact CG-CD 3.5Å; K33-E37 HydrophobicContact CG-CG 4.44Å; K33-E37 VanDerWaalsContact CG-OE1 3.26Å; K33-E37 WeakPolarHBondContact CG-OE1 3.44Å; K33-E37 IonicContact NZ-OE1 3.87Å; K33-E37 PolarHBondContact NZ-OE1 3.28Å; K33-E37 IonicContact NZ-OE2 2.76Å; K33-E37 PolarHBondContact NZ-OE2 2.86Å; K33-E37 PolarHBondContact O-N 3.1Å; Y34-E37 PolarHBondContact O-N 3.25Å
38E90.1Very high89.7Confident60 Ų6064.1 Ų64.128%0.2832%0.318SS..THydrogen-bonded Turntrans-100.8-19-169.5-48.4-64.517300114.3Y34 L42 K50Y34-E38 HydrophobicContact CD1-CB 4.4Å; Y34-E38 HydrophobicContact CD2-CB 3.88Å; Y34-E38 HydrophobicContact CD2-CG 3.6Å; Y34-E38 HydrophobicContact CE1-CB 4.24Å; Y34-E38 HydrophobicContact CE2-CB 3.68Å; Y34-E38 HydrophobicContact CE2-CG 3.63Å; Y34-E38 HydrophobicContact CG-CB 4.23Å; Y34-E38 HydrophobicContact CG-CG 4.27Å; Y34-E38 WeakPolarHBondContact O-CA 3.4Å; Y34-E38 WeakPolarHBondContact O-CB 3.5Å; Y34-E38 PolarHBondContact O-N 3.04Å; E38-L42 WeakPolarHBondContact O-CD1 2.95Å; E38-K50 WeakPolarHBondContact OE2-CE 3.36Å; E38-K50 IonicContact OE2-NZ 2.7Å; E38-K50 PolarHBondContact OE2-NZ 3.2Å
39C87.3Confident89.6Confident3 Ų363.2 Ų63.22%0.0232%0.32CS..SBendtrans-103.21174-52.20000113.8Y34 W35 K76Y34-C39 PolarHBondContact O-N 3.04Å; W35-C39 HydrophobicContact CB-CB 4.49Å; W35-C39 HydrophobicContact CD2-CB 3.9Å; W35-C39 HydrophobicContact CE3-CB 3.74Å; W35-C39 HydrophobicContact CG-CB 4.26Å; W35-C39 HydrophobicContact CZ3-CB 4.28Å; W35-C39 CarbonylContact O-C 3.48Å; W35-C39 WeakPolarHBondContact O-CB 3.39Å; W35-C39 PolarHBondContact O-N 3.32Å; C39-K76 HydrophobicContact CB-CD 4.44Å; C39-K76 HydrophobicContact CB-CG 4.29Å; C39-K76 VanDerWaalsContact O-CE 3.26Å; C39-K76 WeakPolarHBondContact O-CE 3.34Å
40F86.2Confident89.5Confident154 Ų15464.9 Ų64.968%0.67533%0.327SS*.SBendtrans-73.3131.2178.8-174.7-96.7000110.7W35 L42W35-F40 PolarHBondContact O-N 3.24Å; F40-L42 PolarHBondContact O-N 2.72Å
41G82.6Confident89.4Confident60 Ų6062.5 Ų62.562%0.61932%0.318SS*.SBendtrans72.6-13.1175.800000117T43G41-T43 PolarHBondContact O-N 2.64Å
42L87.5Confident89.3Confident20 Ų2061.2 Ų61.211%0.10531%0.313CS..  trans-49.3128-176.2-101.663.4000113.7E38 F40 L46 K50 L73 K76 I80E38-L42 WeakPolarHBondContact O-CD1 2.95Å; F40-L42 PolarHBondContact O-N 2.72Å; L42-L46 HydrophobicContact CG-CB 4.08Å; L42-K50 HydrophobicContact CD2-CB 4.34Å; L42-K50 HydrophobicContact CD2-CG 4.01Å; L42-L73 HydrophobicContact CD2-CD2 4.41Å; L42-K76 HydrophobicContact CB-CG 4.41Å; L42-K76 VanDerWaalsContact O-CE 3.28Å; L42-K76 WeakPolarHBondContact O-CE 3.46Å; L42-K76 PolarHBondContact O-NZ 2.92Å; L42-I80 WeakPolarHBondContact O-CD1 3.42Å
43T87.4Confident89.4Confident61 Ų6165 Ų6537%0.37433%0.329SS..  trans-84.9178164.858.60000110.2G41 L46 V47G41-T43 PolarHBondContact O-N 2.64Å; T43-L46 WeakPolarHBondContact OG1-CG 3.13Å; T43-V47 WeakPolarHBondContact O-CG2 3.14Å
44A84.7Confident89.4Confident20 Ų2058.8 Ų58.817%0.16530%0.302CS..SBendtrans-62.4-45.3177.500000112.5L46 V47 I80 P82 I86A44-L46 PolarHBondContact O-N 2.7Å; A44-V47 WeakPolarHBondContact O-CB 3.47Å; A44-V47 WeakPolarHBondContact O-CG2 3.22Å; A44-V47 PolarHBondContact O-N 2.67Å; A44-I80 HydrophobicContact CB-CG2 4.2Å; A44-P82 HydrophobicContact CB-CB 3.96Å; A44-I86 HydrophobicContact CB-CD1 3.84Å
45E85.5Confident89.3Confident150 Ų15065.9 Ų65.970%0.70133%0.328SS*.THydrogen-bonded Turntrans-57.4-49.5178.3-57.3162.1144.400111.5V47 V48E45-V47 PolarHBondContact O-N 3.49Å; E45-V48 WeakPolarHBondContact O-CB 3.26Å; E45-V48 VanDerWaalsContact O-CG2 3.32Å; E45-V48 WeakPolarHBondContact O-CG2 3.36Å; E45-V48 PolarHBondContact O-N 2.73Å
46L89.9Confident89.3Confident80 Ų8067.3 Ų67.342%0.41934%0.335SS..THydrogen-bonded Turntrans-70.4-2.1-177.6-63174.9000114.1L42 T43 A44 V48L42-L46 HydrophobicContact CG-CB 4.08Å; T43-L46 WeakPolarHBondContact OG1-CG 3.13Å; A44-L46 PolarHBondContact O-N 2.7Å; L46-V48 VanDerWaalsContact C-N 3.3Å
47V89.9Confident89.5Confident1 Ų161.5 Ų61.51%0.00631%0.309CS..Hα-helixtrans-68.6-31.8167.5-178.50000110.7T43 A44 E45 D49 K50 A51 M77 I80 F90 L102T43-V47 WeakPolarHBondContact O-CG2 3.14Å; A44-V47 WeakPolarHBondContact O-CB 3.47Å; A44-V47 WeakPolarHBondContact O-CG2 3.22Å; A44-V47 PolarHBondContact O-N 2.67Å; E45-V47 PolarHBondContact O-N 3.49Å; V47-D49 PolarHBondContact O-N 3.27Å; V47-K50 PolarHBondContact O-N 3.49Å; V47-A51 VanDerWaalsContact O-CB 3.27Å; V47-A51 WeakPolarHBondContact O-CB 3.45Å; V47-A51 PolarHBondContact O-N 2.98Å; V47-M77 HydrophobicContact CG1-CG 3.89Å; V47-M77 HydrophobicContact CG1-SD 4.11Å; V47-M77 HydrophobicContact CG2-CG 4.41Å; V47-I80 HydrophobicContact CG2-CD1 4.02Å; V47-F90 HydrophobicContact CB-CZ 4.18Å; V47-F90 HydrophobicContact CG1-CE2 3.9Å; V47-F90 HydrophobicContact CG1-CZ 4.07Å; V47-L102 HydrophobicContact CG1-CD2 4.37Å
48V88.1Confident89.5Confident48 Ų4856.7 Ų56.729%0.29129%0.288SS..Hα-helixtrans-58-51.1-178-176.30000110.7E45 L46 K50 A51 M52 F90E45-V48 WeakPolarHBondContact O-CB 3.26Å; E45-V48 VanDerWaalsContact O-CG2 3.32Å; E45-V48 WeakPolarHBondContact O-CG2 3.36Å; E45-V48 PolarHBondContact O-N 2.73Å; L46-V48 VanDerWaalsContact C-N 3.3Å; V48-K50 VanDerWaalsContact C-N 3.3Å; V48-K50 PolarHBondContact O-N 2.76Å; V48-A51 CarbonylContact O-C 3.5Å; V48-A51 PolarHBondContact O-N 2.73Å; V48-M52 HydrophobicContact CG1-CE 4.18Å; V48-M52 HydrophobicContact CG1-CG 4.41Å; V48-M52 HydrophobicContact CG1-SD 4.43Å; V48-M52 WeakPolarHBondContact O-CG 3.39Å; V48-M52 PolarHBondContact O-N 3.26Å; V48-F90 HydrophobicContact CG2-CD1 4.49Å; V48-F90 HydrophobicContact CG2-CE1 3.47Å; V48-F90 VanDerWaalsContact CG2-CE1 3.47Å; V48-F90 HydrophobicContact CG2-CZ 3.84Å
49D90.9Very high89.5Confident80 Ų8054 Ų5443%0.42828%0.276SS..Hα-helixtrans-55.2-45.3-179.2-63.9-37000112.1V47 M52 E53V47-D49 PolarHBondContact O-N 3.27Å; D49-M52 PolarHBondContact O-N 2.94Å; D49-M52 WeakPolarHBondContact OD1-CE 3.28Å; D49-E53 PolarHBondContact O-N 3.16Å
50K90.9Very high89.8Confident34 Ų3454.4 Ų54.415%0.14828%0.279CS..Hα-helixtrans-76.8-25.2179.7-62.1-47.1-167172.60113.5E38 L42 V47 V48 E53 L73E38-K50 WeakPolarHBondContact OE2-CE 3.36Å; E38-K50 IonicContact OE2-NZ 2.7Å; E38-K50 PolarHBondContact OE2-NZ 3.2Å; L42-K50 HydrophobicContact CD2-CB 4.34Å; L42-K50 HydrophobicContact CD2-CG 4.01Å; V47-K50 PolarHBondContact O-N 3.49Å; V48-K50 VanDerWaalsContact C-N 3.3Å; V48-K50 PolarHBondContact O-N 2.76Å; K50-E53 WeakPolarHBondContact CD-OE2 3.32Å; K50-E53 IonicContact NZ-OE1 3.73Å; K50-E53 PolarHBondContact NZ-OE1 2.73Å; K50-E53 IonicContact NZ-OE2 3.94Å; K50-E53 PolarHBondContact NZ-OE2 2.88Å; K50-L73 HydrophobicContact CB-CD1 4.05Å; K50-L73 HydrophobicContact CB-CD2 3.94Å; K50-L73 WeakPolarHBondContact O-CD1 3.36Å
51A91.2Very high90Very high0 Ų050.2 Ų50.20%026%0.259CS..Hα-helixtrans-73.9-32170.700000112.2V47 V48 E53 L54 L73 V99 L102V47-A51 VanDerWaalsContact O-CB 3.27Å; V47-A51 WeakPolarHBondContact O-CB 3.45Å; V47-A51 PolarHBondContact O-N 2.98Å; V48-A51 CarbonylContact O-C 3.5Å; V48-A51 PolarHBondContact O-N 2.73Å; A51-E53 VanDerWaalsContact C-N 3.34Å; A51-L54 HydrophobicContact CB-CD1 4.27Å; A51-L54 VanDerWaalsContact O-CB 3.29Å; A51-L54 WeakPolarHBondContact O-CB 3.5Å; A51-L54 WeakPolarHBondContact O-CD1 3.35Å; A51-L54 WeakPolarHBondContact O-CG 3.3Å; A51-L54 PolarHBondContact O-N 3.23Å; A51-L73 HydrophobicContact CB-CD1 4.37Å; A51-V99 HydrophobicContact CB-CB 4.46Å; A51-V99 HydrophobicContact CB-CG2 3.73Å; A51-L102 HydrophobicContact CB-CD2 3.68Å
52M90.9Very high90.2Very high67 Ų6749 Ų4933%0.3325%0.246SC..Hα-helixtrans-67.5-31.8171.6-69-171.2-67.900112.7V48 D49 L54 F96 V99V48-M52 HydrophobicContact CG1-CE 4.18Å; V48-M52 HydrophobicContact CG1-CG 4.41Å; V48-M52 HydrophobicContact CG1-SD 4.43Å; V48-M52 WeakPolarHBondContact O-CG 3.39Å; V48-M52 PolarHBondContact O-N 3.26Å; D49-M52 PolarHBondContact O-N 2.94Å; D49-M52 WeakPolarHBondContact OD1-CE 3.28Å; M52-L54 PolarHBondContact O-N 2.77Å; M52-F96 HydrophobicContact CB-CD1 3.98Å; M52-F96 HydrophobicContact CB-CE1 3.84Å; M52-F96 HydrophobicContact CB-CG 4.46Å; M52-F96 HydrophobicContact CB-CZ 4.2Å; M52-F96 HydrophobicContact CG-CD1 3.92Å; M52-F96 HydrophobicContact CG-CD2 3.87Å; M52-F96 HydrophobicContact CG-CE1 3.9Å; M52-F96 HydrophobicContact CG-CE2 3.87Å; M52-F96 HydrophobicContact CG-CG 3.91Å; M52-F96 HydrophobicContact CG-CZ 3.88Å; M52-F96 HydrophobicContact SD-CD2 4.03Å; M52-F96 HydrophobicContact SD-CE1 4.22Å; M52-F96 HydrophobicContact SD-CE2 3.49Å; M52-F96 WeakPolarHBondContact SD-CE2 3.44Å; M52-F96 HydrophobicContact SD-CZ 3.6Å; M52-V99 HydrophobicContact CG-CG2 4.21Å
53E92.1Very high90.1Very high103 Ų10351.9 Ų51.948%0.48128%0.281SS..THydrogen-bonded Turntrans-69.9-11.2175.7-72.7177.3-176.900114.2D49 K50 A51D49-E53 PolarHBondContact O-N 3.16Å; K50-E53 WeakPolarHBondContact CD-OE2 3.32Å; K50-E53 IonicContact NZ-OE1 3.73Å; K50-E53 PolarHBondContact NZ-OE1 2.73Å; K50-E53 IonicContact NZ-OE2 3.94Å; K50-E53 PolarHBondContact NZ-OE2 2.88Å; A51-E53 VanDerWaalsContact C-N 3.34Å
54L93Very high89.9Confident12 Ų1254.8 Ų54.86%0.06329%0.294CS..  trans-64.4145.9-177.8-69171.4000113.1A51 M52 P69 F70 L73 Y98 L102A51-L54 HydrophobicContact CB-CD1 4.27Å; A51-L54 VanDerWaalsContact O-CB 3.29Å; A51-L54 WeakPolarHBondContact O-CB 3.5Å; A51-L54 WeakPolarHBondContact O-CD1 3.35Å; A51-L54 WeakPolarHBondContact O-CG 3.3Å; A51-L54 PolarHBondContact O-N 3.23Å; M52-L54 PolarHBondContact O-N 2.77Å; L54-P69 HydrophobicContact CD2-CB 3.93Å; L54-F70 HydrophobicContact CD1-CD2 3.93Å; L54-F70 HydrophobicContact CD2-CB 4.23Å; L54-L73 HydrophobicContact CD1-CD1 4.14Å; L54-L73 HydrophobicContact CD2-CD1 4.1Å; L54-L73 HydrophobicContact CG-CD1 4.16Å; L54-Y98 HydrophobicContact CB-CD2 4.45Å; L54-Y98 HydrophobicContact CB-CG 4.22Å; L54-Y98 WeakPolarHBondContact O-CD2 3.29Å; L54-L102 HydrophobicContact CD1-CD2 4.31Å
55R92.1Very high90.1Very high194 Ų19456.4 Ų56.473%0.73230%0.299SS*.  trans-127.6-11.5-175.2-60.1-176.2-175.2-176.3-0.3114.9Y98R55-Y98 WeakPolarHBondContact O-CE2 3.38Å; R55-Y98 PolarHBondContact O-OH 3.29Å
56F92.8Very high90.4Very high41 Ų4154.5 Ų54.518%0.1829%0.289CS..  trans-164.1153.7-178.150.1-90.6000110T68 P69 K131 Q133 F139F56-T68 HydrophobicContact CD2-CG2 4.29Å; F56-T68 HydrophobicContact CE2-CG2 3.86Å; F56-P69 HydrophobicContact CZ-CG 4.41Å; F56-K131 CarbonylContact C-O 3.58Å; F56-K131 WeakPolarHBondContact CA-O 3.43Å; F56-K131 HydrophobicContact CB-CB 3.9Å; F56-K131 WeakPolarHBondContact CB-O 3.42Å; F56-Q133 HydrophobicContact CD2-CB 3.88Å; F56-Q133 HydrophobicContact CE2-CB 4.25Å; F56-Q133 VanDerWaalsContact CE2-OE1 3.26Å; F56-F139 HydrophobicContact CB-CD1 4.4Å; F56-F139 HydrophobicContact CB-CE1 4.15Å; F56-F139 AromaticContact CD1-CE1 3.71Å; F56-F139 HydrophobicContact CD1-CE1 3.71Å; F56-F139 HydrophobicContact CD1-CZ 4.28Å; F56-F139 AromaticContact CD2-CE1 4Å; F56-F139 HydrophobicContact CD2-CE1 4Å; F56-F139 HydrophobicContact CE1-CE1 4.04Å; F56-F139 HydrophobicContact CE1-CZ 4.22Å; F56-F139 HydrophobicContact CE2-CE1 4.28Å; F56-F139 HydrophobicContact CG-CD1 4.42Å; F56-F139 AromaticContact CG-CE1 3.7Å; F56-F139 HydrophobicContact CG-CE1 3.7Å; F56-F139 HydrophobicContact CZ-CE1 4.31Å; F56-F139 HydrophobicContact CZ-CZ 4.49Å
57V93.9Very high90.5Very high0 Ų051.5 Ų51.50%027%0.274CS..BIsolated β-bridgetrans-89.7172.7164.8-57.10000110.2F70 Y98 M101 I130 K131 Q133 F147V57-F70 HydrophobicContact CB-CD1 4.26Å; V57-F70 HydrophobicContact CB-CE1 4.16Å; V57-F70 HydrophobicContact CB-CE2 4.44Å; V57-F70 HydrophobicContact CB-CG 4.44Å; V57-F70 HydrophobicContact CB-CZ 4.26Å; V57-F70 HydrophobicContact CG1-CD2 4.15Å; V57-F70 HydrophobicContact CG1-CE1 4.31Å; V57-F70 HydrophobicContact CG1-CE2 3.81Å; V57-F70 HydrophobicContact CG1-CZ 3.9Å; V57-Y98 HydrophobicContact CG1-CD1 4.08Å; V57-Y98 HydrophobicContact CG1-CE1 4.44Å; V57-M101 HydrophobicContact CG1-CB 3.76Å; V57-M101 HydrophobicContact CG1-CG 3.82Å; V57-I130 HydrophobicContact CG2-CD1 4.09Å; V57-K131 PolarHBondContact N-O 3.22Å; V57-Q133 PolarHBondContact O-N 3.49Å; V57-F147 HydrophobicContact CB-CE2 4.11Å; V57-F147 HydrophobicContact CG1-CE2 4.42Å; V57-F147 HydrophobicContact CG2-CD2 4.13Å; V57-F147 HydrophobicContact CG2-CE2 3.92Å
58G92Very high90.7Very high3 Ų351.5 Ų51.53%0.03127%0.274CS..  trans138.9161.9175.800000112.9T68G58-T68 WeakPolarHBondContact O-CG2 3.48Å; G58-T68 PolarHBondContact O-OG1 2.72Å
59G91.8Very high91Very high3 Ų351 Ų513%0.03127%0.272CS..SBendtrans-94.2-98.4-17600000114.1T68 L71 C158 D159G59-T68 WeakPolarHBondContact O-CG2 3.33Å; G59-T68 PolarHBondContact O-N 2.88Å; G59-T68 VanDerWaalsContact O-N 3.08Å; G59-T68 PolarHBondContact O-OG1 3.27Å; G59-L71 VanDerWaalsContact O-CD2 3.26Å; G59-L71 WeakPolarHBondContact O-CD2 3.35Å; G59-C158 VanDerWaalsContact CA-C 3.45Å; G59-C158 WeakPolarHBondContact CA-O 3.13Å; G59-D159 WeakPolarHBondContact CA-OD2 3.26Å
60V92.6Very high91.2Very high12 Ų1247.2 Ų47.27%0.07325%0.251CS..EExtended strand (participates in β ladder)trans-123.5136.7178.6-68.50000111.8I25 I65 K66 P67 L71 D159I25-V60 HydrophobicContact CD1-CG1 4.32Å; I25-V60 HydrophobicContact CD1-CG2 4.33Å; I25-V60 HydrophobicContact CG1-CG1 4.18Å; I25-V60 HydrophobicContact CG2-CG1 3.98Å; V60-I65 HydrophobicContact CB-CG2 3.71Å; V60-I65 HydrophobicContact CG1-CG2 3.73Å; V60-I65 HydrophobicContact CG2-CG2 3.84Å; V60-K66 CarbonylContact C-O 3.45Å; V60-K66 VanDerWaalsContact CA-O 3.28Å; V60-K66 WeakPolarHBondContact CA-O 3.5Å; V60-P67 HydrophobicContact CG1-CB 4.45Å; V60-L71 HydrophobicContact CG1-CD2 3.67Å; V60-D159 HydrophobicContact CG2-CB 3.87Å; V60-D159 WeakPolarHBondContact CG2-OD2 3.28Å; V60-D159 PolarHBondContact N-OD2 3.08Å
61Y91.6Very high91.3Very high65 Ų6545.6 Ų45.626%0.25525%0.245SC..EExtended strand (participates in β ladder)trans-123.8147.5-175.968.4-84.7000113.8K66 T68 R135Y61-K66 HydrophobicContact CD1-CB 4.14Å; Y61-K66 WeakPolarHBondContact CD1-O 3.4Å; Y61-K66 HydrophobicContact CD2-CB 4.31Å; Y61-K66 HydrophobicContact CE1-CB 3.73Å; Y61-K66 WeakPolarHBondContact CE1-O 3.3Å; Y61-K66 HydrophobicContact CE2-CB 3.93Å; Y61-K66 HydrophobicContact CE2-CD 3.77Å; Y61-K66 HydrophobicContact CE2-CG 4.47Å; Y61-K66 HydrophobicContact CG-CB 4.4Å; Y61-K66 PolarHBondContact N-O 2.71Å; Y61-K66 PolarHBondContact O-N 3.07Å; Y61-T68 HydrophobicContact CD1-CG2 4.27Å; Y61-R135 WeakPolarHBondContact CA-O 3.48Å
62G86.8Confident91.5Very high34 Ų3445.7 Ų45.735%0.35125%0.245SC..THydrogen-bonded Turntrans70.8163.9178.300000114.6N64 I65 R135G62-N64 PolarHBondContact O-N 3.19Å; G62-I65 PolarHBondContact O-N 3.37Å; G62-R135 PolarHBondContact N-O 2.98Å
63G83.9Confident91.6Very high81 Ų8142.5 Ų42.584%0.83523%0.229SC*.THydrogen-bonded Turntrans-59.7-21-175.100000115.8I65G63-I65 VanDerWaalsContact C-N 3.31Å
64N84.2Confident91.7Very high122 Ų12237.6 Ų37.665%0.65221%0.206SC*.THydrogen-bonded Turntrans-83.6-4.3176.6-72.222.1000113.7R28 G62R28-N64 PolarHBondContact NE-O 3.33Å; G62-N64 PolarHBondContact O-N 3.19Å
65I87.9Confident91.7Very high54 Ų5437 Ų3728%0.27720%0.203SC..THydrogen-bonded Turntrans60.562.7-177.1-49.4178.1000109.8I24 I25 R28 V60 G62 G63I24-I65 HydrophobicContact CG2-CD1 3.99Å; I25-I65 HydrophobicContact CG1-CG2 4.38Å; R28-I65 WeakPolarHBondContact CB-O 3.48Å; R28-I65 HydrophobicContact CG-CB 4.27Å; R28-I65 HydrophobicContact CG-CG2 4.35Å; R28-I65 WeakPolarHBondContact CG-O 3.5Å; V60-I65 HydrophobicContact CB-CG2 3.71Å; V60-I65 HydrophobicContact CG1-CG2 3.73Å; V60-I65 HydrophobicContact CG2-CG2 3.84Å; G62-I65 PolarHBondContact O-N 3.37Å; G63-I65 VanDerWaalsContact C-N 3.31Å
66K91.5Very high91.8Very high111 Ų11128.5 Ų28.548%0.48317%0.171SC..EExtended strand (participates in β ladder)trans-81.4124.9175-70.5-177.4176.5-179.80109.2V60 Y61V60-K66 CarbonylContact C-O 3.45Å; V60-K66 VanDerWaalsContact CA-O 3.28Å; V60-K66 WeakPolarHBondContact CA-O 3.5Å; Y61-K66 HydrophobicContact CD1-CB 4.14Å; Y61-K66 WeakPolarHBondContact CD1-O 3.4Å; Y61-K66 HydrophobicContact CD2-CB 4.31Å; Y61-K66 HydrophobicContact CE1-CB 3.73Å; Y61-K66 WeakPolarHBondContact CE1-O 3.3Å; Y61-K66 HydrophobicContact CE2-CB 3.93Å; Y61-K66 HydrophobicContact CE2-CD 3.77Å; Y61-K66 HydrophobicContact CE2-CG 4.47Å; Y61-K66 HydrophobicContact CG-CB 4.4Å; Y61-K66 PolarHBondContact N-O 2.71Å; Y61-K66 PolarHBondContact O-N 3.07Å
67P93.6Very high91.7Very high17 Ų1726.6 Ų26.611%0.1116%0.163CC..EExtended strand (participates in β ladder)trans-73.7150.2174.631.3-34.5000111.4I29 V60 L71I29-P67 HydrophobicContact CD1-CB 4.49Å; I29-P67 HydrophobicContact CG1-CB 3.6Å; I29-P67 HydrophobicContact CG1-CG 3.82Å; V60-P67 HydrophobicContact CG1-CB 4.45Å; P67-L71 HydrophobicContact CB-CD2 4.23Å
68T94Very high91.6Very high1 Ų126.6 Ų26.61%0.00616%0.163CC..PPolyproline II helixtrans-73.6159.4165.364.20000111.2F56 G58 G59 Y61 F70 L71 C72 Q133F56-T68 HydrophobicContact CD2-CG2 4.29Å; F56-T68 HydrophobicContact CE2-CG2 3.86Å; G58-T68 WeakPolarHBondContact O-CG2 3.48Å; G58-T68 PolarHBondContact O-OG1 2.72Å; G59-T68 WeakPolarHBondContact O-CG2 3.33Å; G59-T68 PolarHBondContact O-N 2.88Å; G59-T68 VanDerWaalsContact O-N 3.08Å; G59-T68 PolarHBondContact O-OG1 3.27Å; Y61-T68 HydrophobicContact CD1-CG2 4.27Å; T68-F70 PolarHBondContact O-N 3.17Å; T68-F70 PolarHBondContact OG1-N 3.45Å; T68-L71 PolarHBondContact O-N 3.27Å; T68-L71 WeakPolarHBondContact OG1-CB 3.44Å; T68-L71 PolarHBondContact OG1-N 2.98Å; T68-C72 PolarHBondContact O-N 3.48Å; T68-C72 VanDerWaalsContact O-N 3.08Å; T68-C72 PolarHBondContact O-SG 3.22Å; T68-C72 VanDerWaalsContact O-SG 3.36Å; T68-Q133 HydrophobicContact CG2-CB 4.44Å
69P94.1Very high91.6Very high37 Ų3727.1 Ų27.124%0.2417%0.165CC..Hα-helixtrans-55.2-37.8166.7-2737.1000112.8Y34 L54 F56 C72 L73Y34-P69 HydrophobicContact CD1-CB 4.29Å; Y34-P69 HydrophobicContact CD2-CB 4.17Å; Y34-P69 HydrophobicContact CD2-CG 4.35Å; Y34-P69 HydrophobicContact CE1-CB 3.96Å; Y34-P69 HydrophobicContact CE2-CB 3.85Å; Y34-P69 HydrophobicContact CE2-CG 4.4Å; Y34-P69 HydrophobicContact CG-CB 4.38Å; L54-P69 HydrophobicContact CD2-CB 3.93Å; F56-P69 HydrophobicContact CZ-CG 4.41Å; P69-C72 WeakPolarHBondContact O-CB 3.23Å; P69-C72 PolarHBondContact O-N 3.45Å; P69-L73 PolarHBondContact O-N 3.4Å
70F94.6Very high91.6Very high0 Ų028.1 Ų28.10%017%0.169CC..Hα-helixtrans-56.5-55.2177-175.9-103.3000111.5L54 V57 T68 C72 L73 T74 M101 L102 L105 F147L54-F70 HydrophobicContact CD1-CD2 3.93Å; L54-F70 HydrophobicContact CD2-CB 4.23Å; V57-F70 HydrophobicContact CB-CD1 4.26Å; V57-F70 HydrophobicContact CB-CE1 4.16Å; V57-F70 HydrophobicContact CB-CE2 4.44Å; V57-F70 HydrophobicContact CB-CG 4.44Å; V57-F70 HydrophobicContact CB-CZ 4.26Å; V57-F70 HydrophobicContact CG1-CD2 4.15Å; V57-F70 HydrophobicContact CG1-CE1 4.31Å; V57-F70 HydrophobicContact CG1-CE2 3.81Å; V57-F70 HydrophobicContact CG1-CZ 3.9Å; T68-F70 PolarHBondContact O-N 3.17Å; T68-F70 PolarHBondContact OG1-N 3.45Å; F70-C72 VanDerWaalsContact C-N 3.32Å; F70-C72 PolarHBondContact O-N 2.98Å; F70-L73 PolarHBondContact O-N 3.09Å; F70-L73 VanDerWaalsContact O-N 3.1Å; F70-T74 PolarHBondContact O-N 2.83Å; F70-T74 PolarHBondContact O-OG1 2.86Å; F70-T74 VanDerWaalsContact O-OG1 3.06Å; F70-M101 HydrophobicContact CE2-CB 3.97Å; F70-M101 HydrophobicContact CZ-CB 4.08Å; F70-L102 HydrophobicContact CD2-CB 4.46Å; F70-L102 HydrophobicContact CD2-CD1 4.17Å; F70-L102 HydrophobicContact CE2-CB 3.83Å; F70-L102 HydrophobicContact CE2-CD1 4.02Å; F70-L102 HydrophobicContact CZ-CD1 4.45Å; F70-L105 HydrophobicContact CD1-CD2 4.47Å; F70-L105 HydrophobicContact CE1-CD2 3.55Å; F70-L105 HydrophobicContact CZ-CB 4.44Å; F70-L105 HydrophobicContact CZ-CD2 4.07Å; F70-F147 HydrophobicContact CE1-CZ 4.27Å; F70-F147 HydrophobicContact CZ-CZ 4.17Å
71L93.9Very high91.4Very high1 Ų130.1 Ų30.11%0.00518%0.178CC..Hα-helixtrans-64.7-33.9178.5179.963.7000112.7I25 I29 G59 V60 P67 T68 T74 L75 I160I25-L71 HydrophobicContact CG2-CD2 3.74Å; I29-L71 HydrophobicContact CD1-CD2 4.27Å; I29-L71 HydrophobicContact CD1-CG 3.98Å; G59-L71 VanDerWaalsContact O-CD2 3.26Å; G59-L71 WeakPolarHBondContact O-CD2 3.35Å; V60-L71 HydrophobicContact CG1-CD2 3.67Å; P67-L71 HydrophobicContact CB-CD2 4.23Å; T68-L71 PolarHBondContact O-N 3.27Å; T68-L71 WeakPolarHBondContact OG1-CB 3.44Å; T68-L71 PolarHBondContact OG1-N 2.98Å; L71-T74 PolarHBondContact O-N 3.03Å; L71-L75 PolarHBondContact O-N 2.86Å; L71-I160 HydrophobicContact CD1-CD1 3.69Å; L71-I160 HydrophobicContact CD1-CG1 3.82Å
72C94Very high91.4Very high1 Ų127.6 Ų27.61%0.00717%0.169CC..Hα-helixtrans-60.9-42.9171.4-72.10000111.9I29 Y34 W35 T68 P69 F70 K76I29-C72 HydrophobicContact CG2-CB 4.41Å; Y34-C72 HydrophobicContact CD1-CB 3.53Å; Y34-C72 HydrophobicContact CE1-CB 3.89Å; W35-C72 WeakPolarHBondContact CZ3-O 3.22Å; T68-C72 PolarHBondContact O-N 3.48Å; T68-C72 VanDerWaalsContact O-N 3.08Å; T68-C72 PolarHBondContact O-SG 3.22Å; T68-C72 VanDerWaalsContact O-SG 3.36Å; P69-C72 WeakPolarHBondContact O-CB 3.23Å; P69-C72 PolarHBondContact O-N 3.45Å; F70-C72 VanDerWaalsContact C-N 3.32Å; F70-C72 PolarHBondContact O-N 2.98Å; C72-K76 WeakPolarHBondContact O-CB 3.41Å; C72-K76 PolarHBondContact O-N 3.37Å
73L93.8Very high91.5Very high0 Ų032.8 Ų32.80%018%0.184CC..Hα-helixtrans-69.9-38.3175.4-66.4-178.7000112.4Y34 L42 K50 A51 L54 P69 F70 L75 K76 M77 L102Y34-L73 HydrophobicContact CE1-CD2 4.18Å; Y34-L73 HydrophobicContact CE1-CG 4.15Å; L42-L73 HydrophobicContact CD2-CD2 4.41Å; K50-L73 HydrophobicContact CB-CD1 4.05Å; K50-L73 HydrophobicContact CB-CD2 3.94Å; K50-L73 WeakPolarHBondContact O-CD1 3.36Å; A51-L73 HydrophobicContact CB-CD1 4.37Å; L54-L73 HydrophobicContact CD1-CD1 4.14Å; L54-L73 HydrophobicContact CD2-CD1 4.1Å; L54-L73 HydrophobicContact CG-CD1 4.16Å; P69-L73 PolarHBondContact O-N 3.4Å; F70-L73 PolarHBondContact O-N 3.09Å; F70-L73 VanDerWaalsContact O-N 3.1Å; L73-L75 VanDerWaalsContact C-N 3.32Å; L73-L75 PolarHBondContact O-N 3.14Å; L73-K76 CarbonylContact O-C 3.51Å; L73-K76 WeakPolarHBondContact O-CA 3.37Å; L73-K76 WeakPolarHBondContact O-CB 3.22Å; L73-K76 PolarHBondContact O-N 2.93Å; L73-M77 WeakPolarHBondContact O-CG 3.44Å; L73-M77 PolarHBondContact O-N 3.18Å; L73-L102 HydrophobicContact CB-CD1 4.17Å; L73-L102 HydrophobicContact CB-CD2 4Å; L73-L102 HydrophobicContact CD1-CD2 4.22Å
74T94.1Very high91.8Very high0 Ų033.6 Ų33.60%017%0.165CC..Hα-helixtrans-57.1-45.5173.6-430000111.2F70 L71 K76 M77 L78 L105 L109 I160F70-T74 PolarHBondContact O-N 2.83Å; F70-T74 PolarHBondContact O-OG1 2.86Å; F70-T74 VanDerWaalsContact O-OG1 3.06Å; L71-T74 PolarHBondContact O-N 3.03Å; T74-K76 VanDerWaalsContact C-N 3.32Å; T74-K76 PolarHBondContact O-N 3Å; T74-M77 PolarHBondContact O-N 3.04Å; T74-L78 HydrophobicContact CG2-CD1 4.47Å; T74-L78 WeakPolarHBondContact O-CG 3.21Å; T74-L78 PolarHBondContact O-N 2.88Å; T74-L105 HydrophobicContact CG2-CD2 3.98Å; T74-L105 HydrophobicContact CG2-CG 4.18Å; T74-L109 HydrophobicContact CG2-CD1 3.79Å; T74-I160 HydrophobicContact CG2-CD1 4Å
75L93.5Very high92.1Very high0 Ų032.2 Ų32.20%016%0.158CC..Hα-helixtrans-67-32.1175.4-175.465.9000112.6Q18 V21 R26 I29 Y30 W35 L71 L73 L78 Q79Q18-L75 HydrophobicContact CB-CD1 4.11Å; Q18-L75 HydrophobicContact CG-CD1 4.13Å; V21-L75 HydrophobicContact CB-CD1 4.24Å; V21-L75 HydrophobicContact CG2-CD1 4.04Å; R26-L75 HydrophobicContact CB-CD2 4.35Å; R26-L75 HydrophobicContact CG-CD1 3.92Å; R26-L75 HydrophobicContact CG-CD2 3.8Å; I29-L75 HydrophobicContact CB-CD2 3.94Å; I29-L75 HydrophobicContact CD1-CB 4.13Å; I29-L75 HydrophobicContact CD1-CD2 3.71Å; I29-L75 HydrophobicContact CG1-CD2 4.44Å; I29-L75 HydrophobicContact CG2-CD2 3.64Å; Y30-L75 HydrophobicContact CD1-CD2 4.31Å; Y30-L75 HydrophobicContact CE1-CD2 3.51Å; Y30-L75 HydrophobicContact CE1-CG 4.47Å; W35-L75 HydrophobicContact CH2-CD2 4.38Å; W35-L75 HydrophobicContact CH2-CG 4.3Å; W35-L75 HydrophobicContact CZ3-CB 4.18Å; W35-L75 HydrophobicContact CZ3-CD2 4.19Å; W35-L75 HydrophobicContact CZ3-CG 4.17Å; L71-L75 PolarHBondContact O-N 2.86Å; L73-L75 VanDerWaalsContact C-N 3.32Å; L73-L75 PolarHBondContact O-N 3.14Å; L75-L78 CarbonylContact O-C 3.57Å; L75-L78 PolarHBondContact O-N 3.29Å; L75-Q79 PolarHBondContact O-N 3.4Å
76K92.6Very high92.2Very high15 Ų1531.1 Ų31.17%0.06515%0.152CC..Hα-helixtrans-69.7-40.9177.4-176.151.7174.1144.20111.4W35 C39 L42 C72 L73 T74 Q79 I80W35-K76 HydrophobicContact CH2-CB 4.14Å; W35-K76 HydrophobicContact CH2-CD 4.04Å; W35-K76 HydrophobicContact CZ3-CB 3.77Å; W35-K76 HydrophobicContact CZ3-CD 4.41Å; C39-K76 HydrophobicContact CB-CD 4.44Å; C39-K76 HydrophobicContact CB-CG 4.29Å; C39-K76 VanDerWaalsContact O-CE 3.26Å; C39-K76 WeakPolarHBondContact O-CE 3.34Å; L42-K76 HydrophobicContact CB-CG 4.41Å; L42-K76 VanDerWaalsContact O-CE 3.28Å; L42-K76 WeakPolarHBondContact O-CE 3.46Å; L42-K76 PolarHBondContact O-NZ 2.92Å; C72-K76 WeakPolarHBondContact O-CB 3.41Å; C72-K76 PolarHBondContact O-N 3.37Å; L73-K76 CarbonylContact O-C 3.51Å; L73-K76 WeakPolarHBondContact O-CA 3.37Å; L73-K76 WeakPolarHBondContact O-CB 3.22Å; L73-K76 PolarHBondContact O-N 2.93Å; T74-K76 VanDerWaalsContact C-N 3.32Å; T74-K76 PolarHBondContact O-N 3Å; K76-Q79 WeakPolarHBondContact O-CB 3.33Å; K76-Q79 PolarHBondContact O-N 3.44Å; K76-Q79 VanDerWaalsContact O-N 3.08Å; K76-I80 HydrophobicContact CD-CD1 4.01Å; K76-I80 HydrophobicContact CD-CG1 4.28Å; K76-I80 HydrophobicContact CG-CD1 4.01Å; K76-I80 WeakPolarHBondContact O-CG1 3.43Å; K76-I80 PolarHBondContact O-N 3Å
77M92.1Very high92.2Very high1 Ų126.1 Ų26.11%0.00513%0.131CC..Hα-helixtrans-60.3-45.1169.5-65.8175.677.100110.7V47 L73 T74 Q79 I80 Q81 P82 F90 L102 Y106V47-M77 HydrophobicContact CG1-CG 3.89Å; V47-M77 HydrophobicContact CG1-SD 4.11Å; V47-M77 HydrophobicContact CG2-CG 4.41Å; L73-M77 WeakPolarHBondContact O-CG 3.44Å; L73-M77 PolarHBondContact O-N 3.18Å; T74-M77 PolarHBondContact O-N 3.04Å; M77-Q79 PolarHBondContact O-N 3.39Å; M77-Q79 VanDerWaalsContact O-N 3.16Å; M77-I80 PolarHBondContact O-N 2.89Å; M77-Q81 WeakPolarHBondContact O-CA 3.27Å; M77-Q81 PolarHBondContact O-N 2.85Å; M77-P82 HydrophobicContact CB-CG 4.33Å; M77-P82 HydrophobicContact CE-CG 3.94Å; M77-P82 VanDerWaalsContact O-CD 3.32Å; M77-P82 WeakPolarHBondContact O-CD 3.44Å; M77-F90 HydrophobicContact CE-CD2 4.06Å; M77-F90 HydrophobicContact CE-CE2 3.79Å; M77-F90 HydrophobicContact SD-CE2 4.21Å; M77-L102 HydrophobicContact SD-CD1 4.21Å; M77-L102 HydrophobicContact SD-CD2 3.82Å; M77-L102 HydrophobicContact SD-CG 3.73Å; M77-Y106 HydrophobicContact CB-CD2 3.49Å; M77-Y106 VanDerWaalsContact CB-CD2 3.49Å; M77-Y106 HydrophobicContact CB-CE2 3.49Å; M77-Y106 VanDerWaalsContact CB-CE2 3.49Å; M77-Y106 HydrophobicContact CB-CG 4.3Å; M77-Y106 HydrophobicContact CE-CD1 4.01Å; M77-Y106 HydrophobicContact CE-CD2 4.14Å; M77-Y106 HydrophobicContact CE-CG 3.73Å; M77-Y106 HydrophobicContact CG-CD2 4.49Å; M77-Y106 HydrophobicContact SD-CD2 4.33Å; M77-Y106 HydrophobicContact SD-CG 4.35Å
78L92.2Very high92.1Very high0 Ų026.1 Ų26.10%013%0.13CC..Hα-helixtrans-66.8-10.6174.1-68.3168.8000114.4P17 L20 V21 T74 L75 Y106 L109 T110P17-L78 HydrophobicContact CB-CB 4.36Å; P17-L78 HydrophobicContact CB-CD2 3.89Å; P17-L78 WeakPolarHBondContact CG-O 3.23Å; L20-L78 HydrophobicContact CD1-CD2 4.31Å; V21-L78 HydrophobicContact CG2-CD1 4.01Å; T74-L78 HydrophobicContact CG2-CD1 4.47Å; T74-L78 WeakPolarHBondContact O-CG 3.21Å; T74-L78 PolarHBondContact O-N 2.88Å; L75-L78 CarbonylContact O-C 3.57Å; L75-L78 PolarHBondContact O-N 3.29Å; L78-Y106 HydrophobicContact CD2-CD2 4.27Å; L78-Y106 HydrophobicContact CD2-CE2 3.67Å; L78-Y106 HydrophobicContact CG-CD2 4.29Å; L78-Y106 HydrophobicContact CG-CE2 3.88Å; L78-L109 HydrophobicContact CD1-CD1 4.37Å; L78-T110 HydrophobicContact CD2-CG2 3.61Å
79Q91.4Very high92Very high15 Ų1532.4 Ų32.47%0.0716%0.159CC..Hα-helixtrans-89.6-40.1171.4-175.7-171.21000112.1A2 R4 T5 V6 L75 K76 M77A2-Q79 PolarHBondContact O-NE2 3.03Å; R4-Q79 WeakPolarHBondContact O-CG 3.09Å; R4-Q79 PolarHBondContact O-NE2 3.1Å; T5-Q79 WeakPolarHBondContact CA-O 3.07Å; T5-Q79 VanDerWaalsContact CG2-O 3.31Å; T5-Q79 WeakPolarHBondContact CG2-O 3.49Å; V6-Q79 PolarHBondContact N-O 3.38Å; L75-Q79 PolarHBondContact O-N 3.4Å; K76-Q79 WeakPolarHBondContact O-CB 3.33Å; K76-Q79 PolarHBondContact O-N 3.44Å; K76-Q79 VanDerWaalsContact O-N 3.08Å; M77-Q79 PolarHBondContact O-N 3.39Å; M77-Q79 VanDerWaalsContact O-N 3.16Å
80I90.6Very high91.8Very high24 Ų2430.9 Ų30.912%0.12315%0.149CC..Hα-helixtrans-82.7-38.3-177-58.6158.9000111V6 L42 A44 V47 K76 M77V6-I80 WeakPolarHBondContact CG2-O 3.49Å; L42-I80 WeakPolarHBondContact O-CD1 3.42Å; A44-I80 HydrophobicContact CB-CG2 4.2Å; V47-I80 HydrophobicContact CG2-CD1 4.02Å; K76-I80 HydrophobicContact CD-CD1 4.01Å; K76-I80 HydrophobicContact CD-CG1 4.28Å; K76-I80 HydrophobicContact CG-CD1 4.01Å; K76-I80 WeakPolarHBondContact O-CG1 3.43Å; K76-I80 PolarHBondContact O-N 3Å; M77-I80 PolarHBondContact O-N 2.89Å
81Q89.8Confident91.7Very high54 Ų5431.2 Ų31.225%0.25215%0.15SC..  trans54.775.9-162.7-168.5175.6-12.200112A9 H10 M77A9-Q81 VanDerWaalsContact CA-OE1 3.29Å; A9-Q81 HydrophobicContact CB-CB 4.16Å; H10-Q81 PolarHBondContact O-OE1 3.42Å; M77-Q81 WeakPolarHBondContact O-CA 3.27Å; M77-Q81 PolarHBondContact O-N 2.85Å
82P90.7Very high91.5Very high11 Ų1137.9 Ų37.97%0.07118%0.18CC..  trans-59.6155.7173.527.6-36.3000112A44 M77 I86 I87 Y106A44-P82 HydrophobicContact CB-CB 3.96Å; M77-P82 HydrophobicContact CB-CG 4.33Å; M77-P82 HydrophobicContact CE-CG 3.94Å; M77-P82 VanDerWaalsContact O-CD 3.32Å; M77-P82 WeakPolarHBondContact O-CD 3.44Å; P82-I86 HydrophobicContact CB-CB 4.48Å; P82-I86 HydrophobicContact CB-CD1 4.37Å; P82-I86 HydrophobicContact CB-CG2 4.38Å; P82-I87 HydrophobicContact CG-CG1 4.48Å; P82-Y106 HydrophobicContact CG-CE1 4.14Å
83E90Very high91.1Very high143 Ų14340.1 Ų40.167%0.66819%0.191SC*.  trans-68.2159.5178.3-64.5-169.8-132.800112.3D85 I86 I87E83-D85 WeakPolarHBondContact CB-OD1 3.5Å; E83-D85 PolarHBondContact O-N 2.88Å; E83-I86 HydrophobicContact CB-CD1 4.46Å; E83-I86 PolarHBondContact O-N 3.29Å; E83-I87 WeakPolarHBondContact O-CG1 3.43Å; E83-I87 PolarHBondContact O-N 3.41Å
84K88.6Confident90.7Very high99 Ų9947 Ų4743%0.4322%0.224SC..Hα-helixtrans-70.8-32.7-166-176.9170.7174.5174.40113I87 V88 D115K84-I87 PolarHBondContact O-N 2.99Å; K84-V88 WeakPolarHBondContact O-CG2 3.34Å; K84-V88 PolarHBondContact O-N 2.95Å; K84-V88 VanDerWaalsContact O-N 3.14Å; K84-D115 WeakPolarHBondContact CE-OD1 3.45Å; K84-D115 IonicContact NZ-OD1 2.92Å; K84-D115 PolarHBondContact NZ-OD1 2.64Å; K84-D115 IonicContact NZ-OD2 2.65Å; K84-D115 PolarHBondContact NZ-OD2 2.87Å
85D90.7Very high90.5Very high93 Ų9353.5 Ų53.550%0.49726%0.258SS..Hα-helixtrans-57.8-49.9171.354.3-12.7000111.9E83 I87 V88 E89E83-D85 WeakPolarHBondContact CB-OD1 3.5Å; E83-D85 PolarHBondContact O-N 2.88Å; D85-I87 VanDerWaalsContact C-N 3.26Å; D85-I87 PolarHBondContact O-N 3.04Å; D85-V88 CarbonylContact O-C 3.49Å; D85-V88 WeakPolarHBondContact O-CA 3.48Å; D85-V88 WeakPolarHBondContact O-CB 3.17Å; D85-V88 PolarHBondContact O-N 3.45Å; D85-E89 WeakPolarHBondContact O-CG 3.44Å; D85-E89 PolarHBondContact O-N 2.79Å
86I90.7Very high90.3Very high30 Ų3057.3 Ų57.315%0.15428%0.275CS..Hα-helixtrans-54.3-42.9177.9-59.6176000110.8A44 P82 E83 E89 F90A44-I86 HydrophobicContact CB-CD1 3.84Å; P82-I86 HydrophobicContact CB-CB 4.48Å; P82-I86 HydrophobicContact CB-CD1 4.37Å; P82-I86 HydrophobicContact CB-CG2 4.38Å; E83-I86 HydrophobicContact CB-CD1 4.46Å; E83-I86 PolarHBondContact O-N 3.29Å; I86-E89 PolarHBondContact O-N 3.39Å; I86-F90 HydrophobicContact CG2-CD1 4.01Å; I86-F90 HydrophobicContact CG2-CE1 3.38Å; I86-F90 HydrophobicContact CG2-CZ 3.84Å; I86-F90 WeakPolarHBondContact O-CD1 3.16Å; I86-F90 WeakPolarHBondContact O-CG 3.33Å; I86-F90 PolarHBondContact O-N 2.96Å
87I91.6Very high90.3Very high7 Ų759.4 Ų59.44%0.03628%0.284CS..Hα-helixtrans-67.2-39178.2-45158.5000111.1P82 E83 K84 D85 F90 I91 G103 Y106 M107P82-I87 HydrophobicContact CG-CG1 4.48Å; E83-I87 WeakPolarHBondContact O-CG1 3.43Å; E83-I87 PolarHBondContact O-N 3.41Å; K84-I87 PolarHBondContact O-N 2.99Å; D85-I87 VanDerWaalsContact C-N 3.26Å; D85-I87 PolarHBondContact O-N 3.04Å; I87-F90 PolarHBondContact O-N 3.13Å; I87-I91 HydrophobicContact CG2-CD1 4.42Å; I87-I91 WeakPolarHBondContact O-CG1 3.3Å; I87-I91 PolarHBondContact O-N 3.22Å; I87-G103 WeakPolarHBondContact CG2-O 3.5Å; I87-Y106 HydrophobicContact CD1-CD1 3.6Å; I87-Y106 HydrophobicContact CD1-CE1 3.46Å; I87-Y106 VanDerWaalsContact CD1-CE1 3.46Å; I87-Y106 HydrophobicContact CG1-CD1 3.76Å; I87-Y106 HydrophobicContact CG1-CE1 3.94Å; I87-Y106 HydrophobicContact CG2-CD1 4.01Å; I87-M107 HydrophobicContact CB-CE 4.12Å; I87-M107 HydrophobicContact CG2-CB 4.09Å; I87-M107 HydrophobicContact CG2-CE 3.82Å
88V91.9Very high90.3Very high16 Ų1660.7 Ų60.710%0.09729%0.289CS..Hα-helixtrans-69.7-35.2177.5171.10000111.2K84 D85 I91 K92 M107 Y119K84-V88 WeakPolarHBondContact O-CG2 3.34Å; K84-V88 PolarHBondContact O-N 2.95Å; K84-V88 VanDerWaalsContact O-N 3.14Å; D85-V88 CarbonylContact O-C 3.49Å; D85-V88 WeakPolarHBondContact O-CA 3.48Å; D85-V88 WeakPolarHBondContact O-CB 3.17Å; D85-V88 PolarHBondContact O-N 3.45Å; V88-I91 PolarHBondContact O-N 2.96Å; V88-K92 HydrophobicContact CG1-CD 4.03Å; V88-K92 HydrophobicContact CG1-CG 4.42Å; V88-K92 WeakPolarHBondContact O-CB 3.48Å; V88-K92 VanDerWaalsContact O-CG 3.3Å; V88-K92 WeakPolarHBondContact O-CG 3.42Å; V88-K92 PolarHBondContact O-N 2.85Å; V88-M107 HydrophobicContact CG2-CE 3.9Å; V88-Y119 HydrophobicContact CB-CE1 4.34Å; V88-Y119 HydrophobicContact CG1-CD1 4.27Å; V88-Y119 HydrophobicContact CG1-CE1 3.77Å; V88-Y119 HydrophobicContact CG2-CD1 3.97Å; V88-Y119 HydrophobicContact CG2-CD2 4.36Å; V88-Y119 HydrophobicContact CG2-CE1 3.55Å; V88-Y119 HydrophobicContact CG2-CE2 3.99Å; V88-Y119 HydrophobicContact CG2-CG 4.36Å
89E91.2Very high90.4Very high133 Ų13360.7 Ų60.762%0.62129%0.289SS*.Hα-helixtrans-65.1-42.1170.6-70.7-172.2161.700111.6D85 I86 I91 K92 N93D85-E89 WeakPolarHBondContact O-CG 3.44Å; D85-E89 PolarHBondContact O-N 2.79Å; I86-E89 PolarHBondContact O-N 3.39Å; E89-I91 VanDerWaalsContact C-N 3.31Å; E89-I91 PolarHBondContact O-N 2.96Å; E89-K92 PolarHBondContact O-N 3.17Å; E89-N93 WeakPolarHBondContact O-CB 3.16Å; E89-N93 PolarHBondContact O-N 3.07Å
90F90.5Very high90.5Very high6 Ų661.3 Ų61.33%0.02629%0.291CS..Hα-helixtrans-60.1-42.5175.6-76.928000111.4V47 V48 M77 I86 I87 V99 R100 L102V47-F90 HydrophobicContact CB-CZ 4.18Å; V47-F90 HydrophobicContact CG1-CE2 3.9Å; V47-F90 HydrophobicContact CG1-CZ 4.07Å; V48-F90 HydrophobicContact CG2-CD1 4.49Å; V48-F90 HydrophobicContact CG2-CE1 3.47Å; V48-F90 VanDerWaalsContact CG2-CE1 3.47Å; V48-F90 HydrophobicContact CG2-CZ 3.84Å; M77-F90 HydrophobicContact CE-CD2 4.06Å; M77-F90 HydrophobicContact CE-CE2 3.79Å; M77-F90 HydrophobicContact SD-CE2 4.21Å; I86-F90 HydrophobicContact CG2-CD1 4.01Å; I86-F90 HydrophobicContact CG2-CE1 3.38Å; I86-F90 HydrophobicContact CG2-CZ 3.84Å; I86-F90 WeakPolarHBondContact O-CD1 3.16Å; I86-F90 WeakPolarHBondContact O-CG 3.33Å; I86-F90 PolarHBondContact O-N 2.96Å; I87-F90 PolarHBondContact O-N 3.13Å; F90-V99 HydrophobicContact CB-CG1 3.74Å; F90-V99 HydrophobicContact CD1-CG1 4.09Å; F90-V99 HydrophobicContact CD2-CG1 3.92Å; F90-V99 HydrophobicContact CG-CG1 3.62Å; F90-R100 VanDerWaalsContact O-CA 3.23Å; F90-R100 WeakPolarHBondContact O-CA 3.29Å; F90-R100 PolarHBondContact O-N 3.33Å; F90-L102 HydrophobicContact CE2-CD2 4.47Å
91I91.5Very high90.6Very high6 Ų660.1 Ų60.13%0.03129%0.285CS..Hα-helixtrans-65.1-47.8176.2-76.3171000111I87 V88 E89 N93 R100 M107 L123I87-I91 HydrophobicContact CG2-CD1 4.42Å; I87-I91 WeakPolarHBondContact O-CG1 3.3Å; I87-I91 PolarHBondContact O-N 3.22Å; V88-I91 PolarHBondContact O-N 2.96Å; E89-I91 VanDerWaalsContact C-N 3.31Å; E89-I91 PolarHBondContact O-N 2.96Å; I91-N93 VanDerWaalsContact C-N 3.32Å; I91-N93 PolarHBondContact O-N 3.05Å; I91-R100 PolarHBondContact O-NE 3.34Å; I91-R100 PolarHBondContact O-NH2 3.13Å; I91-M107 HydrophobicContact CD1-CB 3.9Å; I91-M107 HydrophobicContact CD1-CE 4.13Å; I91-M107 HydrophobicContact CD1-CG 4.23Å; I91-L123 HydrophobicContact CG2-CD1 4.18Å; I91-L123 HydrophobicContact CG2-CD2 4.26Å
92K90.1Very high90.8Very high142 Ų14257.6 Ų57.662%0.61727%0.273SS*.Hα-helixtrans-66.8-30.5-179.6-75.5179177.7-1760113V88 E89 E94 R100V88-K92 HydrophobicContact CG1-CD 4.03Å; V88-K92 HydrophobicContact CG1-CG 4.42Å; V88-K92 WeakPolarHBondContact O-CB 3.48Å; V88-K92 VanDerWaalsContact O-CG 3.3Å; V88-K92 WeakPolarHBondContact O-CG 3.42Å; V88-K92 PolarHBondContact O-N 2.85Å; E89-K92 PolarHBondContact O-N 3.17Å; K92-E94 PolarHBondContact O-N 3.49Å; K92-E94 VanDerWaalsContact O-N 3.16Å; K92-R100 PolarHBondContact O-NH2 3.41Å
93N86.5Confident91Very high47 Ų4757 Ų5725%0.25127%0.27SS..  trans-48.9119.8-178.8-169.6-73.4000112.3E89 I91 D95 F96 R100E89-N93 WeakPolarHBondContact O-CB 3.16Å; E89-N93 PolarHBondContact O-N 3.07Å; I91-N93 VanDerWaalsContact C-N 3.32Å; I91-N93 PolarHBondContact O-N 3.05Å; N93-D95 PolarHBondContact OD1-N 3.32Å; N93-F96 PolarHBondContact OD1-N 2.86Å; N93-R100 PolarHBondContact O-NE 3.05Å; N93-R100 PolarHBondContact O-NH2 3.45Å
94E85.3Confident91.2Very high145 Ų14550.2 Ų50.268%0.67824%0.238SC*.SBendtrans-90.4-33.8-178-71.9-178.1179.200112.4K92 F96 R128K92-E94 PolarHBondContact O-N 3.49Å; K92-E94 VanDerWaalsContact O-N 3.16Å; E94-F96 PolarHBondContact O-N 3.15Å; E94-R128 PolarHBondContact O-NH1 3.5Å
95D88.4Confident91.4Very high136 Ų13645.5 Ų45.573%0.72722%0.217SC*.SBendtrans-62.4-47-177.3-61.1-62.8000112.6N93N93-D95 PolarHBondContact OD1-N 3.32Å
96F89.9Confident91.6Very high81 Ų8141.1 Ų41.136%0.35519%0.194SC..  trans-11084.8-168.9-64.1-85.4000112.2M52 N93 E94 Y98 V99 R100M52-F96 HydrophobicContact CB-CD1 3.98Å; M52-F96 HydrophobicContact CB-CE1 3.84Å; M52-F96 HydrophobicContact CB-CG 4.46Å; M52-F96 HydrophobicContact CB-CZ 4.2Å; M52-F96 HydrophobicContact CG-CD1 3.92Å; M52-F96 HydrophobicContact CG-CD2 3.87Å; M52-F96 HydrophobicContact CG-CE1 3.9Å; M52-F96 HydrophobicContact CG-CE2 3.87Å; M52-F96 HydrophobicContact CG-CG 3.91Å; M52-F96 HydrophobicContact CG-CZ 3.88Å; M52-F96 HydrophobicContact SD-CD2 4.03Å; M52-F96 HydrophobicContact SD-CE1 4.22Å; M52-F96 HydrophobicContact SD-CE2 3.49Å; M52-F96 WeakPolarHBondContact SD-CE2 3.44Å; M52-F96 HydrophobicContact SD-CZ 3.6Å; N93-F96 PolarHBondContact OD1-N 2.86Å; E94-F96 PolarHBondContact O-N 3.15Å; F96-Y98 PolarHBondContact O-N 3.28Å; F96-V99 HydrophobicContact CB-CB 3.88Å; F96-V99 HydrophobicContact CB-CG2 3.44Å; F96-V99 VanDerWaalsContact CB-CG2 3.44Å; F96-V99 HydrophobicContact CG-CG2 4.21Å; F96-V99 WeakPolarHBondContact O-CA 3.37Å; F96-V99 WeakPolarHBondContact O-CB 3.49Å; F96-V99 PolarHBondContact O-N 2.85Å; F96-R100 PolarHBondContact O-N 2.98Å; F96-R100 VanDerWaalsContact O-N 3.14Å
97K91.9Very high91.7Very high59 Ų5939.9 Ų39.926%0.25719%0.187SC..Hα-helixtrans-47-33.917569.6-170.4179.2-172.40114.7R100 M101 K129 I130K97-R100 WeakPolarHBondContact O-CB 3.38Å; K97-R100 PolarHBondContact O-N 3.02Å; K97-M101 WeakPolarHBondContact O-CG 3.48Å; K97-M101 PolarHBondContact O-N 3.03Å; K97-K129 PolarHBondContact NZ-O 2.8Å; K97-I130 HydrophobicContact CD-CG2 3.96Å; K97-I130 HydrophobicContact CG-CG2 4.17Å
98Y94Very high91.8Very high27 Ų2740.1 Ų40.111%0.10619%0.188CC..Hα-helixtrans-76.5-26.3178.3-62-57.3000114L54 R55 V57 F96 L102 I130 K131L54-Y98 HydrophobicContact CB-CD2 4.45Å; L54-Y98 HydrophobicContact CB-CG 4.22Å; L54-Y98 WeakPolarHBondContact O-CD2 3.29Å; R55-Y98 WeakPolarHBondContact O-CE2 3.38Å; R55-Y98 PolarHBondContact O-OH 3.29Å; V57-Y98 HydrophobicContact CG1-CD1 4.08Å; V57-Y98 HydrophobicContact CG1-CE1 4.44Å; F96-Y98 PolarHBondContact O-N 3.28Å; Y98-L102 WeakPolarHBondContact O-CB 3.2Å; Y98-L102 PolarHBondContact O-N 2.88Å; Y98-I130 HydrophobicContact CD1-CG2 4.42Å; Y98-I130 HydrophobicContact CE1-CB 4.02Å; Y98-I130 HydrophobicContact CE1-CG2 3.95Å; Y98-K131 PolarHBondContact OH-N 3.06Å
99V93.4Very high91.8Very high1 Ų139.3 Ų39.31%0.00618%0.183CC..Hα-helixtrans-67.3-45.2168.1178.60000109A51 M52 F90 F96 M101 L102 G103A51-V99 HydrophobicContact CB-CB 4.46Å; A51-V99 HydrophobicContact CB-CG2 3.73Å; M52-V99 HydrophobicContact CG-CG2 4.21Å; F90-V99 HydrophobicContact CB-CG1 3.74Å; F90-V99 HydrophobicContact CD1-CG1 4.09Å; F90-V99 HydrophobicContact CD2-CG1 3.92Å; F90-V99 HydrophobicContact CG-CG1 3.62Å; F96-V99 HydrophobicContact CB-CB 3.88Å; F96-V99 HydrophobicContact CB-CG2 3.44Å; F96-V99 VanDerWaalsContact CB-CG2 3.44Å; F96-V99 HydrophobicContact CG-CG2 4.21Å; F96-V99 WeakPolarHBondContact O-CA 3.37Å; F96-V99 WeakPolarHBondContact O-CB 3.49Å; F96-V99 PolarHBondContact O-N 2.85Å; V99-M101 PolarHBondContact O-N 3Å; V99-L102 PolarHBondContact O-N 3.45Å; V99-L102 VanDerWaalsContact O-N 3.13Å; V99-G103 PolarHBondContact O-N 3.36Å
100R93Very high91.7Very high27 Ų2734.3 Ų34.310%0.10216%0.161CC..Hα-helixtrans-56-46.7172.4176.6175.3-74.9-166.8-3.4112.3F90 I91 K92 N93 F96 K97 L102 G103 A104 L123 D126F90-R100 VanDerWaalsContact O-CA 3.23Å; F90-R100 WeakPolarHBondContact O-CA 3.29Å; F90-R100 PolarHBondContact O-N 3.33Å; I91-R100 PolarHBondContact O-NE 3.34Å; I91-R100 PolarHBondContact O-NH2 3.13Å; K92-R100 PolarHBondContact O-NH2 3.41Å; N93-R100 PolarHBondContact O-NE 3.05Å; N93-R100 PolarHBondContact O-NH2 3.45Å; F96-R100 PolarHBondContact O-N 2.98Å; F96-R100 VanDerWaalsContact O-N 3.14Å; K97-R100 WeakPolarHBondContact O-CB 3.38Å; K97-R100 PolarHBondContact O-N 3.02Å; R100-L102 VanDerWaalsContact C-N 3.33Å; R100-L102 PolarHBondContact O-N 2.96Å; R100-G103 PolarHBondContact O-N 3.29Å; R100-A104 VanDerWaalsContact O-CB 3.23Å; R100-A104 WeakPolarHBondContact O-CB 3.29Å; R100-A104 PolarHBondContact O-N 3.43Å; R100-L123 HydrophobicContact CG-CD1 4.05Å; R100-L123 HydrophobicContact CG-CD2 4.23Å; R100-D126 VanDerWaalsContact CD-OD2 3.32Å; R100-D126 WeakPolarHBondContact CD-OD2 3.21Å; R100-D126 IonicContact CZ-OD2 2.82Å; R100-D126 IonicContact NE-OD2 2.79Å; R100-D126 IonicContact NH1-OD2 2.64Å; R100-D126 PolarHBondContact NH1-OD2 2.79Å
101M93.3Very high91.6Very high0 Ų034.6 Ų34.60%017%0.166CC..Hα-helixtrans-63.8-36.5175.7-52.9-28.4-71.500113V57 F70 K97 V99 L105 I130 V144 F147 I148V57-M101 HydrophobicContact CG1-CB 3.76Å; V57-M101 HydrophobicContact CG1-CG 3.82Å; F70-M101 HydrophobicContact CE2-CB 3.97Å; F70-M101 HydrophobicContact CZ-CB 4.08Å; K97-M101 WeakPolarHBondContact O-CG 3.48Å; K97-M101 PolarHBondContact O-N 3.03Å; V99-M101 PolarHBondContact O-N 3Å; M101-L105 WeakPolarHBondContact O-CB 3.23Å; M101-L105 PolarHBondContact O-N 3.28Å; M101-I130 HydrophobicContact CE-CD1 4.3Å; M101-I130 HydrophobicContact CG-CG2 4.23Å; M101-I130 HydrophobicContact SD-CG2 4.43Å; M101-V144 HydrophobicContact CE-CB 4.29Å; M101-V144 HydrophobicContact CE-CG1 3.88Å; M101-V144 HydrophobicContact CE-CG2 4.25Å; M101-V144 HydrophobicContact SD-CB 4.11Å; M101-V144 HydrophobicContact SD-CG1 3.73Å; M101-V144 HydrophobicContact SD-CG2 3.55Å; M101-V144 VanDerWaalsContact SD-CG2 3.55Å; M101-F147 HydrophobicContact CB-CE1 4.34Å; M101-F147 HydrophobicContact CE-CB 3.72Å; M101-F147 HydrophobicContact CE-CD1 3.14Å; M101-F147 HydrophobicContact CE-CE1 3.82Å; M101-F147 HydrophobicContact CE-CG 3.61Å; M101-I148 HydrophobicContact CE-CD1 4.37Å
102L94.1Very high91.5Very high0 Ų037.8 Ų37.80%019%0.186CC..Hα-helixtrans-70.1-44.7179.9-175.867.7000111.1V47 A51 L54 F70 L73 M77 F90 Y98 V99 R100 Y106V47-L102 HydrophobicContact CG1-CD2 4.37Å; A51-L102 HydrophobicContact CB-CD2 3.68Å; L54-L102 HydrophobicContact CD1-CD2 4.31Å; F70-L102 HydrophobicContact CD2-CB 4.46Å; F70-L102 HydrophobicContact CD2-CD1 4.17Å; F70-L102 HydrophobicContact CE2-CB 3.83Å; F70-L102 HydrophobicContact CE2-CD1 4.02Å; F70-L102 HydrophobicContact CZ-CD1 4.45Å; L73-L102 HydrophobicContact CB-CD1 4.17Å; L73-L102 HydrophobicContact CB-CD2 4Å; L73-L102 HydrophobicContact CD1-CD2 4.22Å; M77-L102 HydrophobicContact SD-CD1 4.21Å; M77-L102 HydrophobicContact SD-CD2 3.82Å; M77-L102 HydrophobicContact SD-CG 3.73Å; F90-L102 HydrophobicContact CE2-CD2 4.47Å; Y98-L102 WeakPolarHBondContact O-CB 3.2Å; Y98-L102 PolarHBondContact O-N 2.88Å; V99-L102 PolarHBondContact O-N 3.45Å; V99-L102 VanDerWaalsContact O-N 3.13Å; R100-L102 VanDerWaalsContact C-N 3.33Å; R100-L102 PolarHBondContact O-N 2.96Å; L102-Y106 WeakPolarHBondContact O-CB 3.39Å; L102-Y106 PolarHBondContact O-N 2.87Å
103G93.6Very high91.5Very high0 Ų031.9 Ų31.90%016%0.164CC..Hα-helixtrans-61.8-43172.900000112.2I87 V99 R100 Y106 M107I87-G103 WeakPolarHBondContact CG2-O 3.5Å; V99-G103 PolarHBondContact O-N 3.36Å; R100-G103 PolarHBondContact O-N 3.29Å; G103-Y106 PolarHBondContact O-N 2.84Å; G103-M107 WeakPolarHBondContact O-CB 3.12Å; G103-M107 PolarHBondContact O-N 3.41Å
104A94.4Very high91.6Very high0 Ų032.2 Ų32.20%017%0.165CC..Hα-helixtrans-60.5-51.2176.700000112.6R100 Y106 M107 R108 L120 L123 I148 L151R100-A104 VanDerWaalsContact O-CB 3.23Å; R100-A104 WeakPolarHBondContact O-CB 3.29Å; R100-A104 PolarHBondContact O-N 3.43Å; A104-Y106 VanDerWaalsContact C-N 3.33Å; A104-Y106 PolarHBondContact O-N 3.18Å; A104-M107 PolarHBondContact O-N 3.23Å; A104-R108 WeakPolarHBondContact O-CB 3.42Å; A104-R108 PolarHBondContact O-N 3.47Å; A104-L120 HydrophobicContact CB-CD2 3.56Å; A104-L123 HydrophobicContact CB-CD1 4.21Å; A104-I148 HydrophobicContact CB-CD1 3.76Å; A104-L151 HydrophobicContact CB-CD1 3.84Å
105L94.1Very high91.9Very high0 Ų026.4 Ų26.40%014%0.138CC..Hα-helixtrans-62.2-39.8176174.261.1000111.5F70 T74 M101 R108 L109 L151 C158 I160 L162F70-L105 HydrophobicContact CD1-CD2 4.47Å; F70-L105 HydrophobicContact CE1-CD2 3.55Å; F70-L105 HydrophobicContact CZ-CB 4.44Å; F70-L105 HydrophobicContact CZ-CD2 4.07Å; T74-L105 HydrophobicContact CG2-CD2 3.98Å; T74-L105 HydrophobicContact CG2-CG 4.18Å; M101-L105 WeakPolarHBondContact O-CB 3.23Å; M101-L105 PolarHBondContact O-N 3.28Å; L105-R108 PolarHBondContact O-N 3.38Å; L105-L109 HydrophobicContact CD1-CD1 3.9Å; L105-L109 HydrophobicContact CD1-CG 4.11Å; L105-L109 HydrophobicContact CG-CD1 4Å; L105-L109 VanDerWaalsContact O-CG 3.25Å; L105-L109 WeakPolarHBondContact O-CG 3.27Å; L105-L109 PolarHBondContact O-N 2.86Å; L105-L109 VanDerWaalsContact O-N 3.14Å; L105-L151 HydrophobicContact CB-CD2 4.22Å; L105-L151 HydrophobicContact CD1-CD2 3.57Å; L105-L151 HydrophobicContact CG-CD2 4.49Å; L105-C158 HydrophobicContact CD2-CB 4.27Å; L105-I160 HydrophobicContact CD2-CD1 4.33Å; L105-L162 HydrophobicContact CD1-CD2 4.17Å
106Y94Very high92Very high1 Ų119.9 Ų19.90%0.00410%0.104CC..Hα-helixtrans-66.4-46.2178.2-172.2-92.9000112M77 L78 P82 I87 L102 G103 A104 R108 L109 T110M77-Y106 HydrophobicContact CB-CD2 3.49Å; M77-Y106 VanDerWaalsContact CB-CD2 3.49Å; M77-Y106 HydrophobicContact CB-CE2 3.49Å; M77-Y106 VanDerWaalsContact CB-CE2 3.49Å; M77-Y106 HydrophobicContact CB-CG 4.3Å; M77-Y106 HydrophobicContact CE-CD1 4.01Å; M77-Y106 HydrophobicContact CE-CD2 4.14Å; M77-Y106 HydrophobicContact CE-CG 3.73Å; M77-Y106 HydrophobicContact CG-CD2 4.49Å; M77-Y106 HydrophobicContact SD-CD2 4.33Å; M77-Y106 HydrophobicContact SD-CG 4.35Å; L78-Y106 HydrophobicContact CD2-CD2 4.27Å; L78-Y106 HydrophobicContact CD2-CE2 3.67Å; L78-Y106 HydrophobicContact CG-CD2 4.29Å; L78-Y106 HydrophobicContact CG-CE2 3.88Å; P82-Y106 HydrophobicContact CG-CE1 4.14Å; I87-Y106 HydrophobicContact CD1-CD1 3.6Å; I87-Y106 HydrophobicContact CD1-CE1 3.46Å; I87-Y106 VanDerWaalsContact CD1-CE1 3.46Å; I87-Y106 HydrophobicContact CG1-CD1 3.76Å; I87-Y106 HydrophobicContact CG1-CE1 3.94Å; I87-Y106 HydrophobicContact CG2-CD1 4.01Å; L102-Y106 WeakPolarHBondContact O-CB 3.39Å; L102-Y106 PolarHBondContact O-N 2.87Å; G103-Y106 PolarHBondContact O-N 2.84Å; A104-Y106 VanDerWaalsContact C-N 3.33Å; A104-Y106 PolarHBondContact O-N 3.18Å; Y106-R108 VanDerWaalsContact C-N 3.26Å; Y106-R108 PolarHBondContact O-N 2.91Å; Y106-L109 PolarHBondContact O-N 3.07Å; Y106-T110 HydrophobicContact CD2-CG2 4.44Å; Y106-T110 HydrophobicContact CE1-CG2 3.95Å; Y106-T110 WeakPolarHBondContact CE1-OG1 3.45Å; Y106-T110 HydrophobicContact CE2-CG2 3.87Å; Y106-T110 PolarHBondContact O-N 2.74Å; Y106-T110 PolarHBondContact O-OG1 3.29Å
107M93Very high92Very high3 Ų316.8 Ų16.82%0.0159%0.09CC..Hα-helixtrans-56.7-40.9173.8-172.465.977.400111.3I87 V88 I91 G103 A104 L109 T110 G111 D115 Y119I87-M107 HydrophobicContact CB-CE 4.12Å; I87-M107 HydrophobicContact CG2-CB 4.09Å; I87-M107 HydrophobicContact CG2-CE 3.82Å; V88-M107 HydrophobicContact CG2-CE 3.9Å; I91-M107 HydrophobicContact CD1-CB 3.9Å; I91-M107 HydrophobicContact CD1-CE 4.13Å; I91-M107 HydrophobicContact CD1-CG 4.23Å; G103-M107 WeakPolarHBondContact O-CB 3.12Å; G103-M107 PolarHBondContact O-N 3.41Å; A104-M107 PolarHBondContact O-N 3.23Å; M107-L109 VanDerWaalsContact C-N 3.26Å; M107-L109 PolarHBondContact O-N 3.42Å; M107-T110 PolarHBondContact O-N 3.46Å; M107-G111 VanDerWaalsContact O-CA 3.28Å; M107-G111 WeakPolarHBondContact O-CA 3.49Å; M107-G111 PolarHBondContact O-N 3.35Å; M107-D115 HydrophobicContact SD-CB 4.02Å; M107-Y119 HydrophobicContact CE-CD2 3.76Å; M107-Y119 HydrophobicContact CE-CE2 4.26Å; M107-Y119 HydrophobicContact CE-CG 4.23Å; M107-Y119 HydrophobicContact SD-CD2 4.29Å
108R93.1Very high91.9Very high12 Ų1220.4 Ų20.45%0.04511%0.105CC..Hα-helixtrans-65.4-24.1175.9-18056.1-174.488.30.1114.3A104 L105 Y106 L120 L151 L162 P163 L165A104-R108 WeakPolarHBondContact O-CB 3.42Å; A104-R108 PolarHBondContact O-N 3.47Å; L105-R108 PolarHBondContact O-N 3.38Å; Y106-R108 VanDerWaalsContact C-N 3.26Å; Y106-R108 PolarHBondContact O-N 2.91Å; R108-L120 HydrophobicContact CB-CD1 4.18Å; R108-L151 HydrophobicContact CB-CB 4.48Å; R108-L151 HydrophobicContact CB-CD1 4.33Å; R108-L151 HydrophobicContact CB-CD2 4.17Å; R108-L151 WeakPolarHBondContact CD-O 3.48Å; R108-L151 HydrophobicContact CG-CB 4.07Å; R108-L151 HydrophobicContact CG-CD2 4.02Å; R108-L151 HydrophobicContact CG-CG 4.5Å; R108-L151 PolarHBondContact NE-O 3.03Å; R108-L162 HydrophobicContact CG-CD1 3.96Å; R108-L162 HydrophobicContact CG-CD2 4.46Å; R108-P163 PolarHBondContact NH1-O 3.16Å; R108-P163 PolarHBondContact NH2-O 3.21Å; R108-L165 VanDerWaalsContact CZ-CG 3.5Å
109L92Very high91.7Very high0 Ų021.9 Ų21.90%011%0.111CC..Hα-helixtrans-94.3-23-179.1-70.9172.4000114.1H13 L20 T74 L78 L105 Y106 M107 I160 L162H13-L109 PolarHBondContact NE2-O 3.39Å; L20-L109 HydrophobicContact CD1-CB 4.11Å; L20-L109 HydrophobicContact CD1-CD2 4.39Å; L20-L109 VanDerWaalsContact CD1-O 3.25Å; L20-L109 WeakPolarHBondContact CD1-O 3.11Å; T74-L109 HydrophobicContact CG2-CD1 3.79Å; L78-L109 HydrophobicContact CD1-CD1 4.37Å; L105-L109 HydrophobicContact CD1-CD1 3.9Å; L105-L109 HydrophobicContact CD1-CG 4.11Å; L105-L109 HydrophobicContact CG-CD1 4Å; L105-L109 VanDerWaalsContact O-CG 3.25Å; L105-L109 WeakPolarHBondContact O-CG 3.27Å; L105-L109 PolarHBondContact O-N 2.86Å; L105-L109 VanDerWaalsContact O-N 3.14Å; Y106-L109 PolarHBondContact O-N 3.07Å; M107-L109 VanDerWaalsContact C-N 3.26Å; M107-L109 PolarHBondContact O-N 3.42Å; L109-I160 HydrophobicContact CD1-CD1 3.78Å; L109-I160 HydrophobicContact CD1-CG2 4.36Å; L109-I160 HydrophobicContact CD2-CG2 3.74Å; L109-L162 HydrophobicContact CD2-CD2 3.63Å; L109-L162 HydrophobicContact CG-CD2 4.41Å
110T90.6Very high91.6Very high27 Ų2721.9 Ų21.917%0.16611%0.111CC..Hα-helixtrans-127.1-13.4-175.971.10000115.3I12 L78 Y106 M107I12-T110 HydrophobicContact CG1-CG2 4.37Å; I12-T110 HydrophobicContact CG2-CG2 4.18Å; L78-T110 HydrophobicContact CD2-CG2 3.61Å; Y106-T110 HydrophobicContact CD2-CG2 4.44Å; Y106-T110 HydrophobicContact CE1-CG2 3.95Å; Y106-T110 WeakPolarHBondContact CE1-OG1 3.45Å; Y106-T110 HydrophobicContact CE2-CG2 3.87Å; Y106-T110 PolarHBondContact O-N 2.74Å; Y106-T110 PolarHBondContact O-OG1 3.29Å; M107-T110 PolarHBondContact O-N 3.46Å
111G88.1Confident91.3Very high13 Ų1322.1 Ų22.113%0.13411%0.114CC..SBendtrans-78.2166.3-176.700000113.7M107M107-G111 VanDerWaalsContact O-CA 3.28Å; M107-G111 WeakPolarHBondContact O-CA 3.49Å; M107-G111 PolarHBondContact O-N 3.35Å
112T89.4Confident91.2Very high72 Ų7226 Ų2644%0.44214%0.138SC..  trans-72.3164.1165.166.30000110.3I114 D115 C116T112-I114 VanDerWaalsContact C-N 3.28Å; T112-I114 PolarHBondContact O-N 3.14Å; T112-D115 PolarHBondContact O-N 3.45Å; T112-D115 WeakPolarHBondContact OG1-CB 3.35Å; T112-D115 PolarHBondContact OG1-N 2.82Å; T112-D115 PolarHBondContact OG1-OD2 3.49Å; T112-C116 PolarHBondContact O-N 2.96Å; T112-C116 PolarHBondContact O-SG 2.77Å
113A88.8Confident90.9Very high18 Ų1826.4 Ų26.415%0.14914%0.141CC..Hα-helixtrans-62.3-38.1174.600000111.9D115 C116 Y117 L165 Q166 L171A113-D115 VanDerWaalsContact C-N 3.35Å; A113-D115 PolarHBondContact O-N 3.43Å; A113-C116 WeakPolarHBondContact O-CB 3.48Å; A113-C116 PolarHBondContact O-N 3.33Å; A113-Y117 WeakPolarHBondContact O-CD2 2.97Å; A113-Y117 PolarHBondContact O-N 2.87Å; A113-L165 HydrophobicContact CB-CD2 3.94Å; A113-Q166 HydrophobicContact CB-CB 4.44Å; A113-L171 HydrophobicContact CB-CD1 3.82Å
114I89.2Confident90.8Very high55 Ų5527.9 Ų27.928%0.28215%0.146SC..Hα-helixtrans-56.8-47.9172.8-53.7173.1000110.4T112 K118 Q176 L177T112-I114 VanDerWaalsContact C-N 3.28Å; T112-I114 PolarHBondContact O-N 3.14Å; I114-K118 WeakPolarHBondContact O-CB 3.47Å; I114-K118 PolarHBondContact O-N 2.95Å; I114-Q176 HydrophobicContact CD1-CB 4.02Å; I114-Q176 HydrophobicContact CD1-CG 4.42Å; I114-Q176 HydrophobicContact CG1-CB 4.35Å; I114-L177 HydrophobicContact CG2-CD2 3.85Å; I114-L177 HydrophobicContact CG2-CG 4.45Å
115D91.1Very high90.5Very high22 Ų2232.2 Ų32.212%0.11817%0.17CC..Hα-helixtrans-65.3-38.8177.4-69.4-50.2000112.7K84 M107 T112 A113 Y119K84-D115 WeakPolarHBondContact CE-OD1 3.45Å; K84-D115 IonicContact NZ-OD1 2.92Å; K84-D115 PolarHBondContact NZ-OD1 2.64Å; K84-D115 IonicContact NZ-OD2 2.65Å; K84-D115 PolarHBondContact NZ-OD2 2.87Å; M107-D115 HydrophobicContact SD-CB 4.02Å; T112-D115 PolarHBondContact O-N 3.45Å; T112-D115 WeakPolarHBondContact OG1-CB 3.35Å; T112-D115 PolarHBondContact OG1-N 2.82Å; T112-D115 PolarHBondContact OG1-OD2 3.49Å; A113-D115 VanDerWaalsContact C-N 3.35Å; A113-D115 PolarHBondContact O-N 3.43Å; D115-Y119 HydrophobicContact CB-CD2 4.13Å; D115-Y119 HydrophobicContact CB-CE2 4.36Å; D115-Y119 WeakPolarHBondContact O-CB 3.37Å; D115-Y119 VanDerWaalsContact O-CD2 3.27Å; D115-Y119 WeakPolarHBondContact O-CD2 3.15Å; D115-Y119 PolarHBondContact O-N 2.7Å
116C91.1Very high90.4Very high0 Ų032.7 Ų32.70%017%0.172CC..Hα-helixtrans-60-52.1177.3-67.60000110.6T112 A113 L120 L152 L165T112-C116 PolarHBondContact O-N 2.96Å; T112-C116 PolarHBondContact O-SG 2.77Å; A113-C116 WeakPolarHBondContact O-CB 3.48Å; A113-C116 PolarHBondContact O-N 3.33Å; C116-L120 HydrophobicContact CB-CD1 4.21Å; C116-L120 WeakPolarHBondContact O-CB 3.32Å; C116-L120 WeakPolarHBondContact O-CD1 3.5Å; C116-L120 WeakPolarHBondContact O-CG 3.32Å; C116-L120 PolarHBondContact O-N 2.94Å; C116-L152 HydrophobicContact CB-CD2 4.43Å; C116-L165 HydrophobicContact CB-CD1 4.14Å; C116-L165 HydrophobicContact CB-CD2 4.31Å
117Y89.6Confident90.3Very high15 Ų1538.9 Ų38.96%0.05920%0.196CC..Hα-helixtrans-63.8-51.6177.6-66.7-61.6000111A113 Y119 L120 E121 L152 Q166 R168 L171 L177A113-Y117 WeakPolarHBondContact O-CD2 2.97Å; A113-Y117 PolarHBondContact O-N 2.87Å; Y117-Y119 VanDerWaalsContact C-N 3.33Å; Y117-Y119 PolarHBondContact O-N 3.48Å; Y117-L120 PolarHBondContact O-N 3.14Å; Y117-E121 HydrophobicContact CD1-CG 4.34Å; Y117-E121 VanDerWaalsContact O-CB 3.29Å; Y117-E121 WeakPolarHBondContact O-CB 3.4Å; Y117-E121 VanDerWaalsContact O-CG 3.23Å; Y117-E121 WeakPolarHBondContact O-CG 3.16Å; Y117-E121 PolarHBondContact O-N 2.97Å; Y117-L152 HydrophobicContact CD1-CD2 4.01Å; Y117-L152 HydrophobicContact CE1-CD2 3.93Å; Y117-Q166 PolarHBondContact OH-O 3.33Å; Y117-R168 HydrophobicContact CE1-CB 4.35Å; Y117-R168 HydrophobicContact CE2-CB 4.31Å; Y117-R168 PolarHBondContact OH-N 3.47Å; Y117-L171 HydrophobicContact CD2-CD1 3.69Å; Y117-L171 HydrophobicContact CE2-CD1 3.71Å; Y117-L177 HydrophobicContact CD2-CD1 3.7Å; Y117-L177 HydrophobicContact CG-CD1 4.02Å
118K89.6Confident90.2Very high135 Ų13542.6 Ų42.659%0.58721%0.21SC*.Hα-helixtrans-58.7-33.8-176.3-175163.9-173.4156.30115.4I114I114-K118 WeakPolarHBondContact O-CB 3.47Å; I114-K118 PolarHBondContact O-N 2.95Å
119Y91Very high90.3Very high59 Ų5947.8 Ų47.823%0.23123%0.233CC..Hα-helixtrans-102.9-21.5-178.3-67.1-66.2000114.7V88 M107 D115 Y117V88-Y119 HydrophobicContact CB-CE1 4.34Å; V88-Y119 HydrophobicContact CG1-CD1 4.27Å; V88-Y119 HydrophobicContact CG1-CE1 3.77Å; V88-Y119 HydrophobicContact CG2-CD1 3.97Å; V88-Y119 HydrophobicContact CG2-CD2 4.36Å; V88-Y119 HydrophobicContact CG2-CE1 3.55Å; V88-Y119 HydrophobicContact CG2-CE2 3.99Å; V88-Y119 HydrophobicContact CG2-CG 4.36Å; M107-Y119 HydrophobicContact CE-CD2 3.76Å; M107-Y119 HydrophobicContact CE-CE2 4.26Å; M107-Y119 HydrophobicContact CE-CG 4.23Å; M107-Y119 HydrophobicContact SD-CD2 4.29Å; D115-Y119 HydrophobicContact CB-CD2 4.13Å; D115-Y119 HydrophobicContact CB-CE2 4.36Å; D115-Y119 WeakPolarHBondContact O-CB 3.37Å; D115-Y119 VanDerWaalsContact O-CD2 3.27Å; D115-Y119 WeakPolarHBondContact O-CD2 3.15Å; D115-Y119 PolarHBondContact O-N 2.7Å; Y117-Y119 VanDerWaalsContact C-N 3.33Å; Y117-Y119 PolarHBondContact O-N 3.48Å
120L89.9Confident90.4Very high0 Ų047.9 Ų47.90%023%0.234CC..Hα-helixtrans-92.6-33.1179.3-56175.8000112.2A104 R108 C116 Y117 L123 I148 L151 L152A104-L120 HydrophobicContact CB-CD2 3.56Å; R108-L120 HydrophobicContact CB-CD1 4.18Å; C116-L120 HydrophobicContact CB-CD1 4.21Å; C116-L120 WeakPolarHBondContact O-CB 3.32Å; C116-L120 WeakPolarHBondContact O-CD1 3.5Å; C116-L120 WeakPolarHBondContact O-CG 3.32Å; C116-L120 PolarHBondContact O-N 2.94Å; Y117-L120 PolarHBondContact O-N 3.14Å; L120-L123 HydrophobicContact CD2-CD1 4.47Å; L120-L123 WeakPolarHBondContact O-CA 3.48Å; L120-L123 WeakPolarHBondContact O-CB 3.36Å; L120-L123 PolarHBondContact O-N 3.14Å; L120-I148 HydrophobicContact CB-CG2 4.15Å; L120-I148 HydrophobicContact CD2-CD1 4.29Å; L120-I148 WeakPolarHBondContact O-CG2 3.05Å; L120-L151 HydrophobicContact CD2-CD1 4.49Å; L120-L152 HydrophobicContact CB-CD1 4.36Å; L120-L152 HydrophobicContact CD1-CD2 3.93Å; L120-L152 HydrophobicContact CD1-CG 4.33Å
121E88.2Confident90.6Very high33 Ų3351.7 Ų51.715%0.15425%0.248CC..G310 helixtrans-65.7-35.8-175.1-66.9-178.913500115.3Y117 L123 Y124 L152 R168 R180Y117-E121 HydrophobicContact CD1-CG 4.34Å; Y117-E121 VanDerWaalsContact O-CB 3.29Å; Y117-E121 WeakPolarHBondContact O-CB 3.4Å; Y117-E121 VanDerWaalsContact O-CG 3.23Å; Y117-E121 WeakPolarHBondContact O-CG 3.16Å; Y117-E121 PolarHBondContact O-N 2.97Å; E121-L123 PolarHBondContact O-N 3.33Å; E121-Y124 HydrophobicContact CB-CD2 4.28Å; E121-Y124 HydrophobicContact CG-CD2 4.39Å; E121-Y124 HydrophobicContact CG-CE2 4.16Å; E121-Y124 WeakPolarHBondContact O-CB 3.35Å; E121-Y124 WeakPolarHBondContact O-CD2 3.43Å; E121-Y124 PolarHBondContact O-N 3.37Å; E121-L152 HydrophobicContact CG-CD1 4.2Å; E121-R168 IonicContact OE1-CZ 3.69Å; E121-R168 IonicContact OE1-NH1 3.95Å; E121-R168 PolarHBondContact OE1-NH1 3.05Å; E121-R168 IonicContact OE2-CZ 3.78Å; E121-R168 IonicContact OE2-NH1 3.76Å; E121-R168 PolarHBondContact OE2-NH1 3.03Å; E121-R180 IonicContact OE1-NH1 3.24Å; E121-R180 PolarHBondContact OE1-NH1 3.36Å
122P89.2Confident90.8Very high80 Ų8051.7 Ų51.752%0.51925%0.246SC..G310 helixtrans-59.9-15.5170.3-25.536.1000114.2
123L89.7Confident90.9Very high9 Ų949 Ų495%0.04723%0.228CC..G310 helixtrans-83.9-7.5177.1-51.4-176.2000113.4I91 R100 A104 L120 E121 N125 D126 I148I91-L123 HydrophobicContact CG2-CD1 4.18Å; I91-L123 HydrophobicContact CG2-CD2 4.26Å; R100-L123 HydrophobicContact CG-CD1 4.05Å; R100-L123 HydrophobicContact CG-CD2 4.23Å; A104-L123 HydrophobicContact CB-CD1 4.21Å; L120-L123 HydrophobicContact CD2-CD1 4.47Å; L120-L123 WeakPolarHBondContact O-CA 3.48Å; L120-L123 WeakPolarHBondContact O-CB 3.36Å; L120-L123 PolarHBondContact O-N 3.14Å; E121-L123 PolarHBondContact O-N 3.33Å; L123-N125 PolarHBondContact O-N 3.32Å; L123-D126 WeakPolarHBondContact O-CB 3.25Å; L123-D126 PolarHBondContact O-N 2.99Å; L123-D126 VanDerWaalsContact O-N 3.1Å; L123-I148 HydrophobicContact CB-CD1 4.05Å; L123-I148 HydrophobicContact CB-CG1 3.8Å; L123-I148 HydrophobicContact CD1-CD1 3.65Å; L123-I148 HydrophobicContact CD1-CG1 4.33Å; L123-I148 HydrophobicContact CG-CD1 4.49Å
124Y89.8Confident90.9Very high31 Ų3150.4 Ų50.412%0.12223%0.233CC..G310 helixtrans-63.5-17.7167.5-79.1-69000112.9E121 D126 Y127 D145 I148 D149 L152 R180E121-Y124 HydrophobicContact CB-CD2 4.28Å; E121-Y124 HydrophobicContact CG-CD2 4.39Å; E121-Y124 HydrophobicContact CG-CE2 4.16Å; E121-Y124 WeakPolarHBondContact O-CB 3.35Å; E121-Y124 WeakPolarHBondContact O-CD2 3.43Å; E121-Y124 PolarHBondContact O-N 3.37Å; Y124-D126 VanDerWaalsContact C-N 3.26Å; Y124-D126 PolarHBondContact O-N 3.32Å; Y124-Y127 WeakPolarHBondContact O-CE1 3.38Å; Y124-Y127 PolarHBondContact O-OH 2.69Å; Y124-D145 HydrophobicContact CD1-CB 4.26Å; Y124-I148 HydrophobicContact CD2-CG2 4.38Å; Y124-I148 HydrophobicContact CE1-CG2 4.34Å; Y124-I148 HydrophobicContact CE2-CG2 4.13Å; Y124-D149 HydrophobicContact CE1-CB 4.03Å; Y124-D149 PolarHBondContact OH-OD1 2.94Å; Y124-L152 HydrophobicContact CE2-CD1 3.77Å; Y124-L152 WeakPolarHBondContact OH-CD1 3.35Å; Y124-R180 VanDerWaalsContact CD2-NH1 3.32Å; Y124-R180 VanDerWaalsContact CE2-NH1 3.3Å
125N89.6Confident90.8Very high92 Ų9256.4 Ų56.449%0.49225%0.252SS..G310 helixtrans-84.61.4175.9-58.7-4.2000112.2L123L123-N125 PolarHBondContact O-N 3.32Å
126D91.2Very high90.6Very high10 Ų1061.6 Ų61.65%0.05328%0.28CS..  trans-10090.1-178.7-168.5-18.7000110.9R100 L123 Y124 R128 V144 D145R100-D126 VanDerWaalsContact CD-OD2 3.32Å; R100-D126 WeakPolarHBondContact CD-OD2 3.21Å; R100-D126 IonicContact CZ-OD2 2.82Å; R100-D126 IonicContact NE-OD2 2.79Å; R100-D126 IonicContact NH1-OD2 2.64Å; R100-D126 PolarHBondContact NH1-OD2 2.79Å; L123-D126 WeakPolarHBondContact O-CB 3.25Å; L123-D126 PolarHBondContact O-N 2.99Å; L123-D126 VanDerWaalsContact O-N 3.1Å; Y124-D126 VanDerWaalsContact C-N 3.26Å; Y124-D126 PolarHBondContact O-N 3.32Å; D126-R128 PolarHBondContact O-N 2.8Å; D126-R128 VanDerWaalsContact OD1-CB 3.22Å; D126-R128 WeakPolarHBondContact OD1-CB 3.46Å; D126-R128 WeakPolarHBondContact OD1-CD 3.48Å; D126-R128 WeakPolarHBondContact OD1-CG 3.28Å; D126-R128 IonicContact OD1-CZ 2.72Å; D126-R128 PolarHBondContact OD1-N 2.85Å; D126-R128 IonicContact OD1-NE 2.65Å; D126-R128 PolarHBondContact OD1-NE 3.07Å; D126-R128 IonicContact OD1-NH2 3.96Å; D126-R128 IonicContact OD2-CZ 3.7Å; D126-R128 IonicContact OD2-NE 2.75Å; D126-R128 PolarHBondContact OD2-NE 3.34Å; D126-R128 IonicContact OD2-NH2 2.72Å; D126-R128 PolarHBondContact OD2-NH2 3.03Å; D126-V144 HydrophobicContact CB-CB 4.07Å; D126-V144 HydrophobicContact CB-CG1 3.7Å; D126-V144 VanDerWaalsContact O-CB 3.26Å; D126-V144 WeakPolarHBondContact O-CB 3.34Å; D126-D145 PolarHBondContact O-N 2.94Å
127Y91.8Very high90.3Very high130 Ų13062.5 Ų62.551%0.5129%0.29SS..  trans-8420.4-179.7-53-55.9000114Y124 H143 D145Y124-Y127 WeakPolarHBondContact O-CE1 3.38Å; Y124-Y127 PolarHBondContact O-OH 2.69Å; Y127-H143 PolarHBondContact O-ND1 2.64Å; Y127-D145 HydrophobicContact CD1-CB 4.34Å; Y127-D145 WeakPolarHBondContact CD1-OD2 3.15Å; Y127-D145 HydrophobicContact CE1-CB 4.35Å; Y127-D145 WeakPolarHBondContact CE1-OD2 3.43Å
128R92.1Very high90.4Very high82 Ų8267.5 Ų67.531%0.30931%0.313SS..PPolyproline II helixtrans-75.7134.7-174.4-66.4-179.3-62.2169.9-4112E94 D126 I130 V144E94-R128 PolarHBondContact O-NH1 3.5Å; D126-R128 PolarHBondContact O-N 2.8Å; D126-R128 VanDerWaalsContact OD1-CB 3.22Å; D126-R128 WeakPolarHBondContact OD1-CB 3.46Å; D126-R128 WeakPolarHBondContact OD1-CD 3.48Å; D126-R128 WeakPolarHBondContact OD1-CG 3.28Å; D126-R128 IonicContact OD1-CZ 2.72Å; D126-R128 PolarHBondContact OD1-N 2.85Å; D126-R128 IonicContact OD1-NE 2.65Å; D126-R128 PolarHBondContact OD1-NE 3.07Å; D126-R128 IonicContact OD1-NH2 3.96Å; D126-R128 IonicContact OD2-CZ 3.7Å; D126-R128 IonicContact OD2-NE 2.75Å; D126-R128 PolarHBondContact OD2-NE 3.34Å; D126-R128 IonicContact OD2-NH2 2.72Å; D126-R128 PolarHBondContact OD2-NH2 3.03Å; R128-I130 PolarHBondContact O-N 3.31Å; R128-V144 HydrophobicContact CB-CG2 4.48Å; R128-V144 WeakPolarHBondContact O-CG2 3.32Å; R128-V144 PolarHBondContact O-N 3.08Å
129K94.5Very high90.5Very high121 Ų12166.5 Ų66.553%0.52631%0.309SS..PPolyproline II helixtrans-71118.8179.2-59.2-168.1-178.7-150.50112.1K97 M142 H143K97-K129 PolarHBondContact NZ-O 2.8Å; K129-M142 CarbonylContact C-O 3.52Å; K129-M142 WeakPolarHBondContact CA-O 3.44Å; K129-H143 VanDerWaalsContact CE-CE1 3.4Å; K129-H143 WeakPolarHBondContact CE-CE1 3.38Å; K129-H143 VanDerWaalsContact CE-NE2 3.34Å; K129-H143 WeakPolarHBondContact CE-NE2 3.32Å
130I94.4Very high90.6Very high1 Ų168.2 Ų68.21%0.00532%0.319CS..EExtended strand (participates in β ladder)trans-96.7161.9168.552.1171.2000110.7V57 K97 Y98 M101 R128 M142 H143 V144 F147V57-I130 HydrophobicContact CG2-CD1 4.09Å; K97-I130 HydrophobicContact CD-CG2 3.96Å; K97-I130 HydrophobicContact CG-CG2 4.17Å; Y98-I130 HydrophobicContact CD1-CG2 4.42Å; Y98-I130 HydrophobicContact CE1-CB 4.02Å; Y98-I130 HydrophobicContact CE1-CG2 3.95Å; M101-I130 HydrophobicContact CE-CD1 4.3Å; M101-I130 HydrophobicContact CG-CG2 4.23Å; M101-I130 HydrophobicContact SD-CG2 4.43Å; R128-I130 PolarHBondContact O-N 3.31Å; I130-M142 HydrophobicContact CD1-CB 4.34Å; I130-M142 HydrophobicContact CG1-CB 4.06Å; I130-M142 VanDerWaalsContact CG1-O 3.3Å; I130-M142 WeakPolarHBondContact CG1-O 3.44Å; I130-M142 PolarHBondContact N-O 3.07Å; I130-M142 PolarHBondContact O-N 3.47Å; I130-M142 VanDerWaalsContact O-O 3.12Å; I130-H143 WeakPolarHBondContact CD1-O 3.48Å; I130-H143 WeakPolarHBondContact CG1-O 3.39Å; I130-V144 HydrophobicContact CG2-CG2 3.66Å; I130-F147 HydrophobicContact CD1-CB 3.93Å; I130-F147 HydrophobicContact CD1-CD2 4.36Å; I130-F147 HydrophobicContact CD1-CG 4.32Å
131K94.3Very high90.8Very high108 Ų10873.8 Ų73.847%0.4735%0.349SS..EExtended strand (participates in β ladder)trans-99.6127.4166-69.2-177.3176-173.50108.6F56 V57 Y98 E140 L141F56-K131 CarbonylContact C-O 3.58Å; F56-K131 WeakPolarHBondContact CA-O 3.43Å; F56-K131 HydrophobicContact CB-CB 3.9Å; F56-K131 WeakPolarHBondContact CB-O 3.42Å; V57-K131 PolarHBondContact N-O 3.22Å; Y98-K131 PolarHBondContact OH-N 3.06Å; K131-E140 WeakPolarHBondContact CA-O 3.43Å; K131-L141 HydrophobicContact CG-CD2 3.88Å
132S92.9Very high91Very high12 Ų1273.3 Ų73.38%0.08435%0.347CS..EExtended strand (participates in β ladder)trans-103.5143.7168-169.90000109.6F139 E140 M142S132-F139 VanDerWaalsContact O-CA 3.32Å; S132-F139 WeakPolarHBondContact O-CA 3.37Å; S132-E140 PolarHBondContact N-O 2.89Å; S132-E140 PolarHBondContact O-N 3.06Å; S132-M142 WeakPolarHBondContact CB-SD 3.27Å
133Q91.7Very high91.2Very high16 Ų1671.9 Ų71.98%0.07533%0.333CS..EExtended strand (participates in β ladder)trans-104.9111.7169.9-171.2169.934.300109.9F56 V57 T68 G137 F139F56-Q133 HydrophobicContact CD2-CB 3.88Å; F56-Q133 HydrophobicContact CE2-CB 4.25Å; F56-Q133 VanDerWaalsContact CE2-OE1 3.26Å; V57-Q133 PolarHBondContact O-N 3.49Å; T68-Q133 HydrophobicContact CG2-CB 4.44Å; Q133-G137 PolarHBondContact NE2-O 2.88Å; Q133-F139 HydrophobicContact CB-CD1 3.94Å; Q133-F139 HydrophobicContact CB-CE1 3.78Å; Q133-F139 HydrophobicContact CG-CD1 4.19Å; Q133-F139 HydrophobicContact CG-CE1 3.9Å; Q133-F139 HydrophobicContact CG-CZ 4.41Å
134N88.9Confident91.3Very high47 Ų4771.4 Ų71.425%0.25133%0.331SS..  trans-74.3164.7-178.9-79.97.6000111.8N136 G137 E138 E140N134-N136 PolarHBondContact O-N 2.78Å; N134-G137 WeakPolarHBondContact O-CA 3.16Å; N134-G137 PolarHBondContact O-N 3.48Å; N134-E138 PolarHBondContact N-O 3.17Å; N134-E140 PolarHBondContact ND2-OE1 3.49Å; N134-E140 PolarHBondContact ND2-OE2 3Å
135R86Confident91.5Very high182 Ų18271.7 Ų71.769%0.68733%0.334SS*.THydrogen-bonded Turntrans-57.1-25.1-179.8-168.1170.6177.8178.51.6113.9Y61 G62 G137Y61-R135 WeakPolarHBondContact CA-O 3.48Å; G62-R135 PolarHBondContact N-O 2.98Å; R135-G137 VanDerWaalsContact C-N 3.28Å; R135-G137 PolarHBondContact O-N 3.06Å
136N86.6Confident91.7Very high130 Ų13071.6 Ų71.670%0.69533%0.331SS*.THydrogen-bonded Turntrans-72.1-18.6173-66.2-7.2000113.4N134 E138N134-N136 PolarHBondContact O-N 2.78Å; N136-E138 HydrophobicContact CB-CG 4.44Å
137G85Confident91.8Very high20 Ų2071.2 Ų71.221%0.20633%0.328CS..SBendtrans95.5-6.9-173.400000114.5Q133 N134 R135Q133-G137 PolarHBondContact NE2-O 2.88Å; N134-G137 WeakPolarHBondContact O-CA 3.16Å; N134-G137 PolarHBondContact O-N 3.48Å; R135-G137 VanDerWaalsContact C-N 3.28Å; R135-G137 PolarHBondContact O-N 3.06Å
138E91.5Very high91.9Very high119 Ų11965 Ų6556%0.55630%0.304SS*.  trans-71.9153.1175.9-65.2171.713500111.3N134 N136N134-E138 PolarHBondContact N-O 3.17Å; N136-E138 HydrophobicContact CB-CG 4.44Å
139F92.5Very high91.9Very high114 Ų11464.4 Ų64.450%0.531%0.307SS..EExtended strand (participates in β ladder)trans-106.1117.4-179.4-67.8-74.8000110.8F56 S132 Q133F56-F139 HydrophobicContact CB-CD1 4.4Å; F56-F139 HydrophobicContact CB-CE1 4.15Å; F56-F139 AromaticContact CD1-CE1 3.71Å; F56-F139 HydrophobicContact CD1-CE1 3.71Å; F56-F139 HydrophobicContact CD1-CZ 4.28Å; F56-F139 AromaticContact CD2-CE1 4Å; F56-F139 HydrophobicContact CD2-CE1 4Å; F56-F139 HydrophobicContact CE1-CE1 4.04Å; F56-F139 HydrophobicContact CE1-CZ 4.22Å; F56-F139 HydrophobicContact CE2-CE1 4.28Å; F56-F139 HydrophobicContact CG-CD1 4.42Å; F56-F139 AromaticContact CG-CE1 3.7Å; F56-F139 HydrophobicContact CG-CE1 3.7Å; F56-F139 HydrophobicContact CZ-CE1 4.31Å; F56-F139 HydrophobicContact CZ-CZ 4.49Å; S132-F139 VanDerWaalsContact O-CA 3.32Å; S132-F139 WeakPolarHBondContact O-CA 3.37Å; Q133-F139 HydrophobicContact CB-CD1 3.94Å; Q133-F139 HydrophobicContact CB-CE1 3.78Å; Q133-F139 HydrophobicContact CG-CD1 4.19Å; Q133-F139 HydrophobicContact CG-CE1 3.9Å; Q133-F139 HydrophobicContact CG-CZ 4.41Å
140E93.2Very high91.8Very high95 Ų9562.2 Ų62.244%0.44430%0.299SS..EExtended strand (participates in β ladder)trans-102.8162173.6-77.5169.4-156.800110.7K131 S132 N134K131-E140 WeakPolarHBondContact CA-O 3.43Å; S132-E140 PolarHBondContact N-O 2.89Å; S132-E140 PolarHBondContact O-N 3.06Å; N134-E140 PolarHBondContact ND2-OE1 3.49Å; N134-E140 PolarHBondContact ND2-OE2 3Å
141L93.4Very high91.7Very high117 Ų11762.1 Ų62.161%0.61330%0.298SS*.EExtended strand (participates in β ladder)trans-107120.8174.7-69.1174.9000108.1K131K131-L141 HydrophobicContact CG-CD2 3.88Å
142M92.6Very high91.5Very high23 Ų2357.6 Ų57.611%0.11328%0.279CS..EExtended strand (participates in β ladder)trans-119.5167.7171.5-69.3155.463.900108K129 I130 S132 E146 F147K129-M142 CarbonylContact C-O 3.52Å; K129-M142 WeakPolarHBondContact CA-O 3.44Å; I130-M142 HydrophobicContact CD1-CB 4.34Å; I130-M142 HydrophobicContact CG1-CB 4.06Å; I130-M142 VanDerWaalsContact CG1-O 3.3Å; I130-M142 WeakPolarHBondContact CG1-O 3.44Å; I130-M142 PolarHBondContact N-O 3.07Å; I130-M142 PolarHBondContact O-N 3.47Å; I130-M142 VanDerWaalsContact O-O 3.12Å; S132-M142 WeakPolarHBondContact CB-SD 3.27Å; M142-E146 WeakPolarHBondContact CA-OE2 3.25Å; M142-E146 WeakPolarHBondContact CB-OE2 3.39Å; M142-F147 HydrophobicContact CE-CB 4.42Å; M142-F147 HydrophobicContact CE-CD2 4.3Å
143H93.5Very high91.3Very high50 Ų5063.1 Ų63.123%0.23130%0.303CS..  trans-96.9172.4169.6-67.4-116.3000110.8Y127 K129 I130 D145 E146Y127-H143 PolarHBondContact O-ND1 2.64Å; K129-H143 VanDerWaalsContact CE-CE1 3.4Å; K129-H143 WeakPolarHBondContact CE-CE1 3.38Å; K129-H143 VanDerWaalsContact CE-NE2 3.34Å; K129-H143 WeakPolarHBondContact CE-NE2 3.32Å; I130-H143 WeakPolarHBondContact CD1-O 3.48Å; I130-H143 WeakPolarHBondContact CG1-O 3.39Å; H143-D145 WeakPolarHBondContact CB-OD1 3.26Å; H143-E146 HydrophobicContact CB-CG 4.1Å; H143-E146 IonicContact CD2-OE1 2.64Å; H143-E146 IonicContact CD2-OE2 2.69Å; H143-E146 PolarHBondContact N-OE2 3.35Å
144V92.8Very high91.2Very high0 Ų064.7 Ų64.70%032%0.316CS..Hα-helixtrans-76.9-48.2-177.6161.50000110.1M101 D126 R128 I130 E146 F147 I148M101-V144 HydrophobicContact CE-CB 4.29Å; M101-V144 HydrophobicContact CE-CG1 3.88Å; M101-V144 HydrophobicContact CE-CG2 4.25Å; M101-V144 HydrophobicContact SD-CB 4.11Å; M101-V144 HydrophobicContact SD-CG1 3.73Å; M101-V144 HydrophobicContact SD-CG2 3.55Å; M101-V144 VanDerWaalsContact SD-CG2 3.55Å; D126-V144 HydrophobicContact CB-CB 4.07Å; D126-V144 HydrophobicContact CB-CG1 3.7Å; D126-V144 VanDerWaalsContact O-CB 3.26Å; D126-V144 WeakPolarHBondContact O-CB 3.34Å; R128-V144 HydrophobicContact CB-CG2 4.48Å; R128-V144 WeakPolarHBondContact O-CG2 3.32Å; R128-V144 PolarHBondContact O-N 3.08Å; I130-V144 HydrophobicContact CG2-CG2 3.66Å; V144-E146 VanDerWaalsContact C-N 3.33Å; V144-E146 PolarHBondContact O-N 3.08Å; V144-F147 PolarHBondContact O-N 2.98Å; V144-I148 HydrophobicContact CG1-CG1 4.28Å; V144-I148 WeakPolarHBondContact O-CG1 3.34Å; V144-I148 PolarHBondContact O-N 3.1Å
145D93.2Very high91.3Very high36 Ų3670.6 Ų70.619%0.19334%0.342CS..Hα-helixtrans-48.2-46.7169.462.1-35.4000113.5Y124 D126 Y127 H143 F147 I148 D149Y124-D145 HydrophobicContact CD1-CB 4.26Å; D126-D145 PolarHBondContact O-N 2.94Å; Y127-D145 HydrophobicContact CD1-CB 4.34Å; Y127-D145 WeakPolarHBondContact CD1-OD2 3.15Å; Y127-D145 HydrophobicContact CE1-CB 4.35Å; Y127-D145 WeakPolarHBondContact CE1-OD2 3.43Å; H143-D145 WeakPolarHBondContact CB-OD1 3.26Å; D145-F147 VanDerWaalsContact C-N 3.31Å; D145-F147 PolarHBondContact O-N 3.46Å; D145-I148 WeakPolarHBondContact O-CB 3.39Å; D145-I148 PolarHBondContact O-N 2.84Å; D145-I148 VanDerWaalsContact O-N 3.07Å; D145-D149 PolarHBondContact O-N 3.29Å
146E93.8Very high91.5Very high90 Ų9067.5 Ų67.542%0.42133%0.331SS..Hα-helixtrans-55.2-43.4175.1-70.9174.9167.500112.4M142 H143 V144 D149 E150M142-E146 WeakPolarHBondContact CA-OE2 3.25Å; M142-E146 WeakPolarHBondContact CB-OE2 3.39Å; H143-E146 HydrophobicContact CB-CG 4.1Å; H143-E146 IonicContact CD2-OE1 2.64Å; H143-E146 IonicContact CD2-OE2 2.69Å; H143-E146 PolarHBondContact N-OE2 3.35Å; V144-E146 VanDerWaalsContact C-N 3.33Å; V144-E146 PolarHBondContact O-N 3.08Å; E146-D149 PolarHBondContact O-N 3.38Å; E146-E150 PolarHBondContact O-N 3.39Å
147F93.5Very high91.7Very high2 Ų261.4 Ų61.41%0.00930%0.298CS..Hα-helixtrans-73.9-29177.8-177.5-82.8000112.4V57 F70 M101 I130 M142 V144 D145 E150 L151 V157V57-F147 HydrophobicContact CB-CE2 4.11Å; V57-F147 HydrophobicContact CG1-CE2 4.42Å; V57-F147 HydrophobicContact CG2-CD2 4.13Å; V57-F147 HydrophobicContact CG2-CE2 3.92Å; F70-F147 HydrophobicContact CE1-CZ 4.27Å; F70-F147 HydrophobicContact CZ-CZ 4.17Å; M101-F147 HydrophobicContact CB-CE1 4.34Å; M101-F147 HydrophobicContact CE-CB 3.72Å; M101-F147 HydrophobicContact CE-CD1 3.14Å; M101-F147 HydrophobicContact CE-CE1 3.82Å; M101-F147 HydrophobicContact CE-CG 3.61Å; I130-F147 HydrophobicContact CD1-CB 3.93Å; I130-F147 HydrophobicContact CD1-CD2 4.36Å; I130-F147 HydrophobicContact CD1-CG 4.32Å; M142-F147 HydrophobicContact CE-CB 4.42Å; M142-F147 HydrophobicContact CE-CD2 4.3Å; V144-F147 PolarHBondContact O-N 2.98Å; D145-F147 VanDerWaalsContact C-N 3.31Å; D145-F147 PolarHBondContact O-N 3.46Å; F147-E150 PolarHBondContact O-N 3.46Å; F147-L151 HydrophobicContact CD1-CD1 4.1Å; F147-L151 HydrophobicContact CD1-CG 4.08Å; F147-L151 HydrophobicContact CE1-CD1 3.87Å; F147-L151 HydrophobicContact CE1-CD2 4.16Å; F147-L151 HydrophobicContact CE1-CG 3.94Å; F147-L151 WeakPolarHBondContact O-CG 3.4Å; F147-L151 PolarHBondContact O-N 3.36Å; F147-V157 HydrophobicContact CD2-CG1 4.5Å; F147-V157 HydrophobicContact CE2-CG1 3.88Å; F147-V157 HydrophobicContact CZ-CG1 3.97Å
148I93.5Very high91.7Very high0 Ų061.2 Ų61.20%029%0.294CS..Hα-helixtrans-70.4-37.2173.8-64.5-61.1000110.8M101 A104 L120 L123 Y124 V144 D145 L151 L152M101-I148 HydrophobicContact CE-CD1 4.37Å; A104-I148 HydrophobicContact CB-CD1 3.76Å; L120-I148 HydrophobicContact CB-CG2 4.15Å; L120-I148 HydrophobicContact CD2-CD1 4.29Å; L120-I148 WeakPolarHBondContact O-CG2 3.05Å; L123-I148 HydrophobicContact CB-CD1 4.05Å; L123-I148 HydrophobicContact CB-CG1 3.8Å; L123-I148 HydrophobicContact CD1-CD1 3.65Å; L123-I148 HydrophobicContact CD1-CG1 4.33Å; L123-I148 HydrophobicContact CG-CD1 4.49Å; Y124-I148 HydrophobicContact CD2-CG2 4.38Å; Y124-I148 HydrophobicContact CE1-CG2 4.34Å; Y124-I148 HydrophobicContact CE2-CG2 4.13Å; V144-I148 HydrophobicContact CG1-CG1 4.28Å; V144-I148 WeakPolarHBondContact O-CG1 3.34Å; V144-I148 PolarHBondContact O-N 3.1Å; D145-I148 WeakPolarHBondContact O-CB 3.39Å; D145-I148 PolarHBondContact O-N 2.84Å; D145-I148 VanDerWaalsContact O-N 3.07Å; I148-L151 HydrophobicContact CD1-CD1 4.13Å; I148-L151 WeakPolarHBondContact O-CB 3.4Å; I148-L151 PolarHBondContact O-N 3.44Å; I148-L152 HydrophobicContact CG2-CD1 4.22Å; I148-L152 PolarHBondContact O-N 3.04Å
149D92.7Very high91.5Very high70 Ų7056.9 Ų56.937%0.37427%0.274SS..Hα-helixtrans-63-46.3170.8-164.267.3000111.3Y124 D145 E146 L151 L152 H153Y124-D149 HydrophobicContact CE1-CB 4.03Å; Y124-D149 PolarHBondContact OH-OD1 2.94Å; D145-D149 PolarHBondContact O-N 3.29Å; E146-D149 PolarHBondContact O-N 3.38Å; D149-L151 VanDerWaalsContact C-N 3.3Å; D149-L151 PolarHBondContact O-N 3.06Å; D149-L152 PolarHBondContact O-N 3.06Å; D149-L152 VanDerWaalsContact O-N 3.15Å; D149-H153 WeakPolarHBondContact O-CB 3.39Å; D149-H153 PolarHBondContact O-N 3.41Å; D149-H153 IonicContact OD1-CE1 3.88Å; D149-H153 PolarHBondContact OD1-CE1 3.47Å; D149-H153 VanDerWaalsContact OD1-CE1 3.27Å; D149-H153 IonicContact OD1-CG 3.06Å; D149-H153 IonicContact OD1-ND1 2.8Å; D149-H153 PolarHBondContact OD1-ND1 3.1Å; D149-H153 IonicContact OD2-ND1 3.75Å
150E92.4Very high91.4Very high74 Ų7451.5 Ų51.535%0.34625%0.25SS..Hα-helixtrans-53.8-45.5171.8-77.1-171173.100111.7E146 F147 L152 S154 V157E146-E150 PolarHBondContact O-N 3.39Å; F147-E150 PolarHBondContact O-N 3.46Å; E150-L152 PolarHBondContact O-N 3.2Å; E150-S154 WeakPolarHBondContact O-CA 3.47Å; E150-S154 WeakPolarHBondContact O-CB 3.49Å; E150-S154 PolarHBondContact O-N 2.84Å; E150-V157 HydrophobicContact CB-CG2 3.88Å; E150-V157 WeakPolarHBondContact O-CG2 3.18Å
151L92Very high91.3Very high0 Ų051 Ų510%025%0.25CS..Hα-helixtrans-61.4-42.9177.6-74.2-177.8000112.6A104 L105 R108 L120 F147 I148 D149 V157 L162A104-L151 HydrophobicContact CB-CD1 3.84Å; L105-L151 HydrophobicContact CB-CD2 4.22Å; L105-L151 HydrophobicContact CD1-CD2 3.57Å; L105-L151 HydrophobicContact CG-CD2 4.49Å; R108-L151 HydrophobicContact CB-CB 4.48Å; R108-L151 HydrophobicContact CB-CD1 4.33Å; R108-L151 HydrophobicContact CB-CD2 4.17Å; R108-L151 WeakPolarHBondContact CD-O 3.48Å; R108-L151 HydrophobicContact CG-CB 4.07Å; R108-L151 HydrophobicContact CG-CD2 4.02Å; R108-L151 HydrophobicContact CG-CG 4.5Å; R108-L151 PolarHBondContact NE-O 3.03Å; L120-L151 HydrophobicContact CD2-CD1 4.49Å; F147-L151 HydrophobicContact CD1-CD1 4.1Å; F147-L151 HydrophobicContact CD1-CG 4.08Å; F147-L151 HydrophobicContact CE1-CD1 3.87Å; F147-L151 HydrophobicContact CE1-CD2 4.16Å; F147-L151 HydrophobicContact CE1-CG 3.94Å; F147-L151 WeakPolarHBondContact O-CG 3.4Å; F147-L151 PolarHBondContact O-N 3.36Å; I148-L151 HydrophobicContact CD1-CD1 4.13Å; I148-L151 WeakPolarHBondContact O-CB 3.4Å; I148-L151 PolarHBondContact O-N 3.44Å; D149-L151 VanDerWaalsContact C-N 3.3Å; D149-L151 PolarHBondContact O-N 3.06Å; L151-V157 HydrophobicContact CD2-CB 4.14Å; L151-V157 HydrophobicContact CD2-CG1 3.92Å; L151-V157 HydrophobicContact CD2-CG2 4.29Å; L151-L162 HydrophobicContact CD2-CD1 4.36Å; L151-L162 WeakPolarHBondContact O-CD1 3.42Å
152L89.7Confident91.1Very high12 Ų1246 Ų466%0.06322%0.224CC..Hα-helixtrans-80.5-35.6-174.6-72.6171.8000112.9C116 Y117 L120 E121 Y124 I148 D149 E150 L165C116-L152 HydrophobicContact CB-CD2 4.43Å; Y117-L152 HydrophobicContact CD1-CD2 4.01Å; Y117-L152 HydrophobicContact CE1-CD2 3.93Å; L120-L152 HydrophobicContact CB-CD1 4.36Å; L120-L152 HydrophobicContact CD1-CD2 3.93Å; L120-L152 HydrophobicContact CD1-CG 4.33Å; E121-L152 HydrophobicContact CG-CD1 4.2Å; Y124-L152 HydrophobicContact CE2-CD1 3.77Å; Y124-L152 WeakPolarHBondContact OH-CD1 3.35Å; I148-L152 HydrophobicContact CG2-CD1 4.22Å; I148-L152 PolarHBondContact O-N 3.04Å; D149-L152 PolarHBondContact O-N 3.06Å; D149-L152 VanDerWaalsContact O-N 3.15Å; E150-L152 PolarHBondContact O-N 3.2Å; L152-L165 HydrophobicContact CD2-CD1 4.22Å
153H88.6Confident91Very high128 Ų12845.8 Ų45.859%0.59322%0.224SC*.Hα-helixtrans-108-24.2-171.3-62.9124000115.5D149D149-H153 WeakPolarHBondContact O-CB 3.39Å; D149-H153 PolarHBondContact O-N 3.41Å; D149-H153 IonicContact OD1-CE1 3.88Å; D149-H153 PolarHBondContact OD1-CE1 3.47Å; D149-H153 VanDerWaalsContact OD1-CE1 3.27Å; D149-H153 IonicContact OD1-CG 3.06Å; D149-H153 IonicContact OD1-ND1 2.8Å; D149-H153 PolarHBondContact OD1-ND1 3.1Å; D149-H153 IonicContact OD2-ND1 3.75Å
154S90.3Very high90.5Very high50 Ų5055 Ų5535%0.3526%0.257SS..  trans-89.1151.5-177.7-63.90000114E150 R156E150-S154 WeakPolarHBondContact O-CA 3.47Å; E150-S154 WeakPolarHBondContact O-CB 3.49Å; E150-S154 PolarHBondContact O-N 2.84Å; S154-R156 VanDerWaalsContact C-N 3.35Å
155E89.9Confident90.2Very high170 Ų17057 Ų5779%0.79427%0.267SS*.SBendtrans-76.3-20.2176-59.6-170.9158.800113.5L162E155-L162 PolarHBondContact O-N 3.45Å
156R91.1Very high89.9Confident117 Ų11760 Ų6044%0.44228%0.28SS..EExtended strand (participates in β ladder)trans-146.7124.9-173.6-177.7-172.6-65.7-107.5-2.4110.9E22 S154 I160E22-R156 IonicContact OE1-CZ 2.73Å; E22-R156 IonicContact OE1-NH1 3.39Å; E22-R156 PolarHBondContact OE1-NH1 3.38Å; E22-R156 IonicContact OE1-NH2 3.69Å; S154-R156 VanDerWaalsContact C-N 3.35Å; R156-I160 VanDerWaalsContact CA-O 3.27Å; R156-I160 WeakPolarHBondContact CA-O 3.47Å; R156-I160 WeakPolarHBondContact CG-O 3.35Å
157V89.5Confident89.5Confident3 Ų362.5 Ų62.52%0.01829%0.29CS..EExtended strand (participates in β ladder)trans-133.4139.5174.8179.30000109.1F147 E150 L151 D159 I160 L162F147-V157 HydrophobicContact CD2-CG1 4.5Å; F147-V157 HydrophobicContact CE2-CG1 3.88Å; F147-V157 HydrophobicContact CZ-CG1 3.97Å; E150-V157 HydrophobicContact CB-CG2 3.88Å; E150-V157 WeakPolarHBondContact O-CG2 3.18Å; L151-V157 HydrophobicContact CD2-CB 4.14Å; L151-V157 HydrophobicContact CD2-CG1 3.92Å; L151-V157 HydrophobicContact CD2-CG2 4.29Å; V157-D159 PolarHBondContact O-N 3.36Å; V157-D159 VanDerWaalsContact O-N 3.17Å; V157-I160 PolarHBondContact N-O 3Å; V157-I160 PolarHBondContact O-N 3.06Å; V157-L162 HydrophobicContact CB-CD1 4.21Å; V157-L162 HydrophobicContact CB-CD2 4.41Å; V157-L162 HydrophobicContact CG2-CD1 3.79Å; V157-L162 HydrophobicContact CG2-CG 4.46Å
158C85.7Confident88.9Confident16 Ų1664.4 Ų64.411%0.10830%0.297CS..THydrogen-bonded Turntrans48.939.6-175.2-67.20000114.1G59 L105 I160G59-C158 VanDerWaalsContact CA-C 3.45Å; G59-C158 WeakPolarHBondContact CA-O 3.13Å; L105-C158 HydrophobicContact CD2-CB 4.27Å; C158-I160 PolarHBondContact O-N 2.8Å; C158-I160 VanDerWaalsContact O-N 3.1Å
159D87.5Confident88.5Confident27 Ų2770.6 Ų70.614%0.14432%0.321CS..THydrogen-bonded Turntrans60.18.1-174.9-63.1-77.5000115.9I25 G59 V60 V157I25-D159 HydrophobicContact CD1-CB 4.02Å; G59-D159 WeakPolarHBondContact CA-OD2 3.26Å; V60-D159 HydrophobicContact CG2-CB 3.87Å; V60-D159 WeakPolarHBondContact CG2-OD2 3.28Å; V60-D159 PolarHBondContact N-OD2 3.08Å; V157-D159 PolarHBondContact O-N 3.36Å; V157-D159 VanDerWaalsContact O-N 3.17Å
160I90.2Very high88.2Confident1 Ų168.9 Ų68.91%0.00531%0.313CS..EExtended strand (participates in β ladder)trans-91.4131.8170.5-50.1176.2000108.4V21 L71 T74 L105 L109 R156 V157 C158 L162V21-I160 HydrophobicContact CG2-CD1 4.21Å; V21-I160 HydrophobicContact CG2-CG1 4.37Å; L71-I160 HydrophobicContact CD1-CD1 3.69Å; L71-I160 HydrophobicContact CD1-CG1 3.82Å; T74-I160 HydrophobicContact CG2-CD1 4Å; L105-I160 HydrophobicContact CD2-CD1 4.33Å; L109-I160 HydrophobicContact CD1-CD1 3.78Å; L109-I160 HydrophobicContact CD1-CG2 4.36Å; L109-I160 HydrophobicContact CD2-CG2 3.74Å; R156-I160 VanDerWaalsContact CA-O 3.27Å; R156-I160 WeakPolarHBondContact CA-O 3.47Å; R156-I160 WeakPolarHBondContact CG-O 3.35Å; V157-I160 PolarHBondContact N-O 3Å; V157-I160 PolarHBondContact O-N 3.06Å; C158-I160 PolarHBondContact O-N 2.8Å; C158-I160 VanDerWaalsContact O-N 3.1Å; I160-L162 PolarHBondContact O-N 3.21Å
161I91.4Very high87.8Confident86 Ų8665.9 Ų65.944%0.44130%0.3SS..EExtended strand (participates in β ladder)trans-76120.6169.9-59.2173.5000107.3
162L90Very high87.4Confident12 Ų1268.9 Ų68.96%0.06331%0.313CS..PPolyproline II helixtrans-77.6140.8-175.6-58.4-171.4000110.8L105 R108 L109 L151 E155 V157 I160L105-L162 HydrophobicContact CD1-CD2 4.17Å; R108-L162 HydrophobicContact CG-CD1 3.96Å; R108-L162 HydrophobicContact CG-CD2 4.46Å; L109-L162 HydrophobicContact CD2-CD2 3.63Å; L109-L162 HydrophobicContact CG-CD2 4.41Å; L151-L162 HydrophobicContact CD2-CD1 4.36Å; L151-L162 WeakPolarHBondContact O-CD1 3.42Å; E155-L162 PolarHBondContact O-N 3.45Å; V157-L162 HydrophobicContact CB-CD1 4.21Å; V157-L162 HydrophobicContact CB-CD2 4.41Å; V157-L162 HydrophobicContact CG2-CD1 3.79Å; V157-L162 HydrophobicContact CG2-CG 4.46Å; I160-L162 PolarHBondContact O-N 3.21Å
163P88.7Confident87.2Confident17 Ų1775 Ų7511%0.1134%0.342CS..PPolyproline II helixtrans-54.2143.2170.3-25.633.9000111.4H13 L20 R108 L165H13-P163 WeakPolarHBondContact CD2-CG 3.4Å; H13-P163 VanDerWaalsContact NE2-CB 3.34Å; H13-P163 WeakPolarHBondContact NE2-CB 3.37Å; H13-P163 WeakPolarHBondContact NE2-CG 3.44Å; L20-P163 HydrophobicContact CD1-CG 4.4Å; L20-P163 HydrophobicContact CD2-CG 4.11Å; R108-P163 PolarHBondContact NH1-O 3.16Å; R108-P163 PolarHBondContact NH2-O 3.21Å; P163-L165 PolarHBondContact O-N 3.44Å; P163-L165 VanDerWaalsContact O-N 3.14Å
164R84.8Confident87Confident244 Ų24471.2 Ų71.292%0.92133%0.333SS*.  trans-62.1115.5176.2-67.5-178.265.3-165.9-2.1109.6
165L85.2Confident86.3Confident41 Ų4177.7 Ų77.722%0.21536%0.357CS..PPolyproline II helixtrans-79.7152.9166.4-73.2-179.7000110.7R108 A113 C116 L152 P163R108-L165 VanDerWaalsContact CZ-CG 3.5Å; A113-L165 HydrophobicContact CB-CD2 3.94Å; C116-L165 HydrophobicContact CB-CD1 4.14Å; C116-L165 HydrophobicContact CB-CD2 4.31Å; L152-L165 HydrophobicContact CD2-CD1 4.22Å; P163-L165 PolarHBondContact O-N 3.44Å; P163-L165 VanDerWaalsContact O-N 3.14Å
166Q86.5Confident85.5Confident101 Ų10174.7 Ų74.747%0.47234%0.343SS..PPolyproline II helixtrans-76.6134.5161-171.971.5-29.700108.2A113 Y117 V170 L171A113-Q166 HydrophobicContact CB-CB 4.44Å; Y117-Q166 PolarHBondContact OH-O 3.33Å; Q166-V170 HydrophobicContact CG-CB 3.89Å; Q166-V170 HydrophobicContact CG-CG1 4.5Å; Q166-V170 HydrophobicContact CG-CG2 4.33Å; Q166-V170 VanDerWaalsContact NE2-CG1 3.26Å; Q166-L171 HydrophobicContact CB-CD2 4.43Å; Q166-L171 HydrophobicContact CG-CD2 4.22Å; Q166-L171 HydrophobicContact CG-CG 4.47Å
167K85.7Confident84.4Confident142 Ų14270.5 Ų70.562%0.61733%0.329SS*.PPolyproline II helixtrans-65.9143.7178.7-71.2-177168.3-168.40110.8Y169 V170K167-Y169 VanDerWaalsContact C-N 3.3Å; K167-Y169 HydrophobicContact CB-CD1 3.75Å; K167-Y169 HydrophobicContact CB-CE1 3.69Å; K167-Y169 HydrophobicContact CD-CD1 4.32Å; K167-Y169 HydrophobicContact CD-CE1 3.71Å; K167-Y169 HydrophobicContact CG-CE1 4.35Å; K167-Y169 PolarHBondContact O-N 3.06Å; K167-Y169 VanDerWaalsContact O-N 3.17Å; K167-V170 PolarHBondContact O-N 2.69Å
168R82.2Confident83.5Confident42 Ų4278.3 Ų78.316%0.15837%0.366CS..THydrogen-bonded Turntrans-46.2-46.9-176.3-164.8-171.7173.4109.913.8113.9Y117 E121 V170 L171 E172 E178Y117-R168 HydrophobicContact CE1-CB 4.35Å; Y117-R168 HydrophobicContact CE2-CB 4.31Å; Y117-R168 PolarHBondContact OH-N 3.47Å; E121-R168 IonicContact OE1-CZ 3.69Å; E121-R168 IonicContact OE1-NH1 3.95Å; E121-R168 PolarHBondContact OE1-NH1 3.05Å; E121-R168 IonicContact OE2-CZ 3.78Å; E121-R168 IonicContact OE2-NH1 3.76Å; E121-R168 PolarHBondContact OE2-NH1 3.03Å; R168-V170 PolarHBondContact O-N 3.15Å; R168-V170 VanDerWaalsContact O-N 3.09Å; R168-L171 WeakPolarHBondContact O-CA 3.2Å; R168-L171 WeakPolarHBondContact O-CB 3.45Å; R168-L171 PolarHBondContact O-N 2.87Å; R168-E172 VanDerWaalsContact CD-OE1 3.28Å; R168-E172 WeakPolarHBondContact CD-OE1 3.28Å; R168-E172 HydrophobicContact CG-CG 4.25Å; R168-E172 IonicContact CZ-OE1 3.32Å; R168-E172 IonicContact NE-OE1 3.27Å; R168-E172 PolarHBondContact NE-OE1 2.8Å; R168-E172 IonicContact NH2-OE1 3.68Å; R168-E172 PolarHBondContact O-N 2.94Å; R168-E178 PolarHBondContact NH2-O 2.84Å
169Y84.1Confident82.8Confident129 Ų12982.2 Ų82.251%0.50639%0.391SS..Hα-helixtrans-55.4-31.9-178.880.8-93.8000114.4K167 L171 E172 E173K167-Y169 VanDerWaalsContact C-N 3.3Å; K167-Y169 HydrophobicContact CB-CD1 3.75Å; K167-Y169 HydrophobicContact CB-CE1 3.69Å; K167-Y169 HydrophobicContact CD-CD1 4.32Å; K167-Y169 HydrophobicContact CD-CE1 3.71Å; K167-Y169 HydrophobicContact CG-CE1 4.35Å; K167-Y169 PolarHBondContact O-N 3.06Å; K167-Y169 VanDerWaalsContact O-N 3.17Å; Y169-L171 VanDerWaalsContact C-N 3.3Å; Y169-L171 PolarHBondContact O-N 2.65Å; Y169-E172 VanDerWaalsContact CA-OE2 3.22Å; Y169-E172 WeakPolarHBondContact CA-OE2 3.05Å; Y169-E172 PolarHBondContact N-OE2 3.5Å; Y169-E172 PolarHBondContact O-N 2.92Å; Y169-E173 WeakPolarHBondContact CD2-OE1 3.29Å; Y169-E173 WeakPolarHBondContact O-CB 3.26Å; Y169-E173 VanDerWaalsContact O-CG 3.22Å; Y169-E173 WeakPolarHBondContact O-CG 3.29Å; Y169-E173 PolarHBondContact O-N 3.11Å
170V87.3Confident81.8Confident35 Ų3584.9 Ų84.921%0.21240%0.399CS..Hα-helixtrans-81-12.6178.2-155.80000112.5Q166 K167 R168 A174Q166-V170 HydrophobicContact CG-CB 3.89Å; Q166-V170 HydrophobicContact CG-CG1 4.5Å; Q166-V170 HydrophobicContact CG-CG2 4.33Å; Q166-V170 VanDerWaalsContact NE2-CG1 3.26Å; K167-V170 PolarHBondContact O-N 2.69Å; R168-V170 PolarHBondContact O-N 3.15Å; R168-V170 VanDerWaalsContact O-N 3.09Å; V170-A174 VanDerWaalsContact O-CB 3.29Å; V170-A174 WeakPolarHBondContact O-CB 3.49Å
171L83.8Confident80.3Confident11 Ų1189.8 Ų89.86%0.05843%0.429CS..Hα-helixtrans-89.8-31.6171.2-56.9176.8000110.9A113 Y117 Q166 R168 Y169 A174 E175 Q176 L177A113-L171 HydrophobicContact CB-CD1 3.82Å; Y117-L171 HydrophobicContact CD2-CD1 3.69Å; Y117-L171 HydrophobicContact CE2-CD1 3.71Å; Q166-L171 HydrophobicContact CB-CD2 4.43Å; Q166-L171 HydrophobicContact CG-CD2 4.22Å; Q166-L171 HydrophobicContact CG-CG 4.47Å; R168-L171 WeakPolarHBondContact O-CA 3.2Å; R168-L171 WeakPolarHBondContact O-CB 3.45Å; R168-L171 PolarHBondContact O-N 2.87Å; Y169-L171 VanDerWaalsContact C-N 3.3Å; Y169-L171 PolarHBondContact O-N 2.65Å; L171-A174 CarbonylContact O-C 3.49Å; L171-A174 PolarHBondContact O-N 3.17Å; L171-E175 PolarHBondContact O-N 3.37Å; L171-Q176 HydrophobicContact CB-CB 4.5Å; L171-Q176 PolarHBondContact O-N 3.02Å; L171-L177 HydrophobicContact CB-CB 4.42Å; L171-L177 HydrophobicContact CB-CD1 4.04Å; L171-L177 HydrophobicContact CB-CG 4.29Å; L171-L177 HydrophobicContact CD1-CD1 3.72Å; L171-L177 PolarHBondContact O-N 3.35Å
172E84.1Confident79Confident62 Ų6286.8 Ų86.829%0.2942%0.415SS..Hα-helixtrans-69-47.8170.3-66.7163150.300110.4R168 Y169 A174 E175 P179R168-E172 VanDerWaalsContact CD-OE1 3.28Å; R168-E172 WeakPolarHBondContact CD-OE1 3.28Å; R168-E172 HydrophobicContact CG-CG 4.25Å; R168-E172 IonicContact CZ-OE1 3.32Å; R168-E172 IonicContact NE-OE1 3.27Å; R168-E172 PolarHBondContact NE-OE1 2.8Å; R168-E172 IonicContact NH2-OE1 3.68Å; R168-E172 PolarHBondContact O-N 2.94Å; Y169-E172 VanDerWaalsContact CA-OE2 3.22Å; Y169-E172 WeakPolarHBondContact CA-OE2 3.05Å; Y169-E172 PolarHBondContact N-OE2 3.5Å; Y169-E172 PolarHBondContact O-N 2.92Å; E172-A174 PolarHBondContact O-N 3.02Å; E172-A174 VanDerWaalsContact O-N 3.1Å; E172-E175 PolarHBondContact O-N 3.35Å; E172-P179 WeakPolarHBondContact OE1-CA 3.38Å
173E85.4Confident77.5Confident142 Ų14288 Ų8866%0.66443%0.427SS*.THydrogen-bonded Turntrans-56.8-22.1169.9-76.9171.517900113.7Y169Y169-E173 WeakPolarHBondContact CD2-OE1 3.29Å; Y169-E173 WeakPolarHBondContact O-CB 3.26Å; Y169-E173 VanDerWaalsContact O-CG 3.22Å; Y169-E173 WeakPolarHBondContact O-CG 3.29Å; Y169-E173 PolarHBondContact O-N 3.11Å
174A84.6Confident76Confident48 Ų4892.2 Ų92.240%0.39745%0.448SS..THydrogen-bonded Turntrans-100.15.1179.600000113.7V170 L171 E172 Q176V170-A174 VanDerWaalsContact O-CB 3.29Å; V170-A174 WeakPolarHBondContact O-CB 3.49Å; L171-A174 CarbonylContact O-C 3.49Å; L171-A174 PolarHBondContact O-N 3.17Å; E172-A174 PolarHBondContact O-N 3.02Å; E172-A174 VanDerWaalsContact O-N 3.1Å; A174-Q176 HydrophobicContact CB-CG 4.08Å; A174-Q176 PolarHBondContact O-N 3.09Å; A174-Q176 VanDerWaalsContact O-N 3.13Å
175E74.6Confident74.7Confident186 Ų18684.8 Ų84.887%0.86942%0.424SS*.THydrogen-bonded Turntrans55.824.2-175.7-56.6180169.300113.7L171 E172L171-E175 PolarHBondContact O-N 3.37Å; E172-E175 PolarHBondContact O-N 3.35Å
176Q73.3Confident73.2Confident107 Ų10788.9 Ų88.950%0.544%0.442SS..SBendtrans-92.6-17.1-179-68.7-178.38.700113.6I114 L171 A174I114-Q176 HydrophobicContact CD1-CB 4.02Å; I114-Q176 HydrophobicContact CD1-CG 4.42Å; I114-Q176 HydrophobicContact CG1-CB 4.35Å; L171-Q176 HydrophobicContact CB-CB 4.5Å; L171-Q176 PolarHBondContact O-N 3.02Å; A174-Q176 HydrophobicContact CB-CG 4.08Å; A174-Q176 PolarHBondContact O-N 3.09Å; A174-Q176 VanDerWaalsContact O-N 3.13Å
177L68.3Low71.8Confident28 Ų2888.9 Ų88.915%0.14745%0.445CS..SBendtrans-139.4141.4170.2-71.6175000108.7I114 Y117 L171I114-L177 HydrophobicContact CG2-CD2 3.85Å; I114-L177 HydrophobicContact CG2-CG 4.45Å; Y117-L177 HydrophobicContact CD2-CD1 3.7Å; Y117-L177 HydrophobicContact CG-CD1 4.02Å; L171-L177 HydrophobicContact CB-CB 4.42Å; L171-L177 HydrophobicContact CB-CD1 4.04Å; L171-L177 HydrophobicContact CB-CG 4.29Å; L171-L177 HydrophobicContact CD1-CD1 3.72Å; L171-L177 PolarHBondContact O-N 3.35Å
178E71.4Confident70.4Confident167 Ų16787.2 Ų87.278%0.7844%0.441SS*.PPolyproline II helixtrans-64156.3164.7-73.3156.1-160.400109.9R168R168-E178 PolarHBondContact NH2-O 2.84Å
179P70.5Confident69.2Low98 Ų9890.5 Ų90.564%0.63646%0.461SS*.PPolyproline II helixtrans-55.8154171.625.3-34.8000111E172 V181E172-P179 WeakPolarHBondContact OE1-CA 3.38Å; P179-V181 PolarHBondContact O-N 3.38Å
180R65.9Low68Low83 Ų8390.3 Ų90.331%0.31347%0.469SS..PPolyproline II helixtrans-67.3125.7177.6-171.2170164.1126.3-6109.7E121 Y124 S182E121-R180 IonicContact OE1-NH1 3.24Å; E121-R180 PolarHBondContact OE1-NH1 3.36Å; Y124-R180 VanDerWaalsContact CD2-NH1 3.32Å; Y124-R180 VanDerWaalsContact CE2-NH1 3.3Å; R180-S182 PolarHBondContact NE-OG 2.97Å
181V59Low66.6Low104 Ų10492.1 Ų92.163%0.6348%0.48SS*.PPolyproline II helixtrans-100.4116.3153.1-1750000106.3P179 E186P179-V181 PolarHBondContact O-N 3.38Å; V181-E186 HydrophobicContact CG1-CG 4.04Å
182S63Low65.4Low23 Ų2397.2 Ų97.216%0.16150%0.504CS..PPolyproline II helixtrans-89.2145.1171.5-48.40000108.7R180 L184 E185 E186R180-S182 PolarHBondContact NE-OG 2.97Å; S182-L184 PolarHBondContact O-N 2.79Å; S182-L184 VanDerWaalsContact O-N 3.07Å; S182-E185 WeakPolarHBondContact CA-OE2 3.44Å; S182-E185 WeakPolarHBondContact CB-OE2 3.17Å; S182-E185 PolarHBondContact N-OE2 3.01Å; S182-E185 WeakPolarHBondContact O-CB 3.49Å; S182-E185 PolarHBondContact O-N 3.08Å; S182-E185 PolarHBondContact OG-OE2 3.18Å; S182-E186 PolarHBondContact O-N 3.12Å
183A59.7Low64.2Low37 Ų3797.2 Ų97.231%0.30651%0.51SS..Hα-helixtrans-59.1-23.917500000113D187A183-D187 PolarHBondContact O-N 3.28Å; A183-D187 VanDerWaalsContact O-N 3.17Å
184L57.9Low63.1Low106 Ų10693.3 Ų93.356%0.55550%0.499SS*.Hα-helixtrans-78.9-15.2173.2-65176.6000114.3S182 M188S182-L184 PolarHBondContact O-N 2.79Å; S182-L184 VanDerWaalsContact O-N 3.07Å; L184-M188 WeakPolarHBondContact O-CB 3.37Å; L184-M188 VanDerWaalsContact O-CG 3.23Å; L184-M188 WeakPolarHBondContact O-CG 3.27Å; L184-M188 PolarHBondContact O-N 3.16Å; L184-M188 VanDerWaalsContact O-N 3.12Å
185E55.7Low61.8Low89 Ų8997.3 Ų97.342%0.41651%0.509SS..Hα-helixtrans-80-37.9172.3-72.5160.5137.600109.1S182 M188 D189S182-E185 WeakPolarHBondContact CA-OE2 3.44Å; S182-E185 WeakPolarHBondContact CB-OE2 3.17Å; S182-E185 PolarHBondContact N-OE2 3.01Å; S182-E185 WeakPolarHBondContact O-CB 3.49Å; S182-E185 PolarHBondContact O-N 3.08Å; S182-E185 PolarHBondContact OG-OE2 3.18Å; E185-M188 PolarHBondContact O-N 3.03Å; E185-M188 VanDerWaalsContact O-N 3.15Å; E185-D189 PolarHBondContact O-N 2.76Å
186E53.5Low61.1Low126 Ų12695.4 Ų95.459%0.58950%0.5SS*.Hα-helixtrans-61-46.3167.7-62179.7159.700111.7V181 S182 M188 D189 D190V181-E186 HydrophobicContact CG1-CG 4.04Å; S182-E186 PolarHBondContact O-N 3.12Å; E186-M188 PolarHBondContact O-N 2.9Å; E186-D189 PolarHBondContact O-N 2.93Å; E186-D190 PolarHBondContact O-N 3.04Å
187D58Low60.4Low101 Ų10197.1 Ų97.154%0.5451%0.509SS..Hα-helixtrans-63.2-23.6173.6-77.1-26.6000113.2A183 V191A183-D187 PolarHBondContact O-N 3.28Å; A183-D187 VanDerWaalsContact O-N 3.17Å; D187-V191 VanDerWaalsContact O-CG2 3.28Å; D187-V191 WeakPolarHBondContact O-CG2 3.35Å
188M56.4Low60Low108 Ų108103.1 Ų103.153%0.53254%0.536SS..Hα-helixtrans-85.9-41.7177.4-83.9-177.858.800112.1L184 E185 E186 D190 V191 E192L184-M188 WeakPolarHBondContact O-CB 3.37Å; L184-M188 VanDerWaalsContact O-CG 3.23Å; L184-M188 WeakPolarHBondContact O-CG 3.27Å; L184-M188 PolarHBondContact O-N 3.16Å; L184-M188 VanDerWaalsContact O-N 3.12Å; E185-M188 PolarHBondContact O-N 3.03Å; E185-M188 VanDerWaalsContact O-N 3.15Å; E186-M188 PolarHBondContact O-N 2.9Å; M188-D190 VanDerWaalsContact C-N 3.31Å; M188-D190 PolarHBondContact O-N 2.81Å; M188-V191 PolarHBondContact O-N 2.98Å; M188-V191 VanDerWaalsContact O-N 3.09Å; M188-E192 PolarHBondContact O-N 3.1Å
189D56.3Low59.4Low110 Ų110100.8 Ų100.859%0.58853%0.525SS*.Hα-helixtrans-62.4-38.5175-72.8-11.1000110.9E185 E186 V191 S193E185-D189 PolarHBondContact O-N 2.76Å; E186-D189 PolarHBondContact O-N 2.93Å; D189-V191 VanDerWaalsContact C-N 3.32Å; D189-V191 PolarHBondContact O-N 3.48Å; D189-S193 WeakPolarHBondContact O-CB 3.31Å; D189-S193 PolarHBondContact O-N 3.3Å
190D59.2Low58.8Low125 Ų125102.1 Ų102.167%0.66852%0.522SS*.Hα-helixtrans-63.7-35.5172.3-98.22.4000111.9E186 M188 S194E186-D190 PolarHBondContact O-N 3.04Å; M188-D190 VanDerWaalsContact C-N 3.31Å; M188-D190 PolarHBondContact O-N 2.81Å; D190-S194 WeakPolarHBondContact O-CB 3.47Å; D190-S194 PolarHBondContact O-N 3.48Å; D190-S194 VanDerWaalsContact O-N 3.07Å; D190-S194 PolarHBondContact O-OG 2.95Å
191V59.1Low58.5Low73 Ų73103.6 Ų103.644%0.44254%0.537SS..Hα-helixtrans-73.6-50.3177167.80000111.2D187 M188 D189 S193 S194 E195D187-V191 VanDerWaalsContact O-CG2 3.28Å; D187-V191 WeakPolarHBondContact O-CG2 3.35Å; M188-V191 PolarHBondContact O-N 2.98Å; M188-V191 VanDerWaalsContact O-N 3.09Å; D189-V191 VanDerWaalsContact C-N 3.32Å; D189-V191 PolarHBondContact O-N 3.48Å; V191-S193 VanDerWaalsContact C-N 3.31Å; V191-S193 PolarHBondContact O-N 3.46Å; V191-S194 PolarHBondContact O-N 3.32Å; V191-S194 PolarHBondContact O-OG 3.5Å; V191-E195 PolarHBondContact O-N 2.98Å
192E57.7Low58.5Low119 Ų119103.7 Ų103.756%0.55653%0.53SS*.Hα-helixtrans-61.2-40.1177.2-69.1-170.5-172.200110.9M188 S194 E195 E196M188-E192 PolarHBondContact O-N 3.1Å; E192-S194 VanDerWaalsContact C-N 3.32Å; E192-S194 PolarHBondContact O-N 3.08Å; E192-E195 PolarHBondContact O-N 3.02Å; E192-E196 WeakPolarHBondContact O-CB 3.2Å; E192-E196 WeakPolarHBondContact O-CG 3.43Å; E192-E196 PolarHBondContact O-N 3.05Å
193S59.3Low58.3Low61 Ų61107.8 Ų107.843%0.42755%0.545SS..Hα-helixtrans-63-35.4172.3-174.70000112.9D189 V191 E197D189-S193 WeakPolarHBondContact O-CB 3.31Å; D189-S193 PolarHBondContact O-N 3.3Å; V191-S193 VanDerWaalsContact C-N 3.31Å; V191-S193 PolarHBondContact O-N 3.46Å; S193-E197 PolarHBondContact O-N 3.27Å
194S60.7Low58.2Low60 Ų60111.2 Ų111.242%0.4256%0.558SS.*Hα-helixtrans-75.2-33.9177.573.10000112.9D190 V191 E192 E198D190-S194 WeakPolarHBondContact O-CB 3.47Å; D190-S194 PolarHBondContact O-N 3.48Å; D190-S194 VanDerWaalsContact O-N 3.07Å; D190-S194 PolarHBondContact O-OG 2.95Å; V191-S194 PolarHBondContact O-N 3.32Å; V191-S194 PolarHBondContact O-OG 3.5Å; E192-S194 VanDerWaalsContact C-N 3.32Å; E192-S194 PolarHBondContact O-N 3.08Å; S194-E198 PolarHBondContact O-N 3.19Å
195E59.3Low58.3Low133 Ų133115 Ų11562%0.62157%0.573SS**Hα-helixtrans-71-34.9172.2-69.1-168.8178.800111.2V191 E192 E199V191-E195 PolarHBondContact O-N 2.98Å; E192-E195 PolarHBondContact O-N 3.02Å; E195-E199 WeakPolarHBondContact O-CB 3.36Å; E195-E199 PolarHBondContact O-N 2.92Å
196E59.4Low58.3Low146 Ų146118.7 Ų118.768%0.68258%0.583SS**Hα-helixtrans-69-40.2171.7-74.3-159.215500112.9E192 E199 E200E192-E196 WeakPolarHBondContact O-CB 3.2Å; E192-E196 WeakPolarHBondContact O-CG 3.43Å; E192-E196 PolarHBondContact O-N 3.05Å; E196-E199 PolarHBondContact O-N 3.29Å; E196-E200 WeakPolarHBondContact O-CG 3.42Å; E196-E200 PolarHBondContact O-N 2.76Å
197E59Low58.3Low143 Ų143117.4 Ų117.467%0.66858%0.583SS**Hα-helixtrans-63.7-44173.4-78.9-165.7165.500111.8S193 E199 E200 D201S193-E197 PolarHBondContact O-N 3.27Å; E197-E199 VanDerWaalsContact C-N 3.34Å; E197-E199 PolarHBondContact O-N 2.96Å; E197-E200 PolarHBondContact O-N 3.46Å; E197-D201 PolarHBondContact O-N 3.46Å
198E59.4Low57.9Low154 Ų154118.1 Ų118.172%0.7259%0.593SS**Hα-helixtrans-63.5-37.2174.1-75.5-162.8176.700112S194 E202S194-E198 PolarHBondContact O-N 3.19Å; E198-E202 WeakPolarHBondContact O-CB 3.5Å; E198-E202 PolarHBondContact O-N 3.14Å; E198-E202 VanDerWaalsContact O-N 3.07Å
199E59.1Low57.5Low118 Ų118118.4 Ų118.455%0.55161%0.606SS**Hα-helixtrans-70.3-34.5174.4-95.9-140.1179.600113.5E195 E196 E197 K203E195-E199 WeakPolarHBondContact O-CB 3.36Å; E195-E199 PolarHBondContact O-N 2.92Å; E196-E199 PolarHBondContact O-N 3.29Å; E197-E199 VanDerWaalsContact C-N 3.34Å; E197-E199 PolarHBondContact O-N 2.96Å; E199-K203 WeakPolarHBondContact O-CB 3.39Å; E199-K203 WeakPolarHBondContact O-CD 3.43Å; E199-K203 VanDerWaalsContact O-CE 3.22Å; E199-K203 WeakPolarHBondContact O-CE 3.4Å; E199-K203 WeakPolarHBondContact O-CG 3.41Å; E199-K203 PolarHBondContact O-N 3.14Å; E199-K203 WeakPolarHBondContact OE2-CE 3.05Å; E199-K203 IonicContact OE2-NZ 2.8Å; E199-K203 PolarHBondContact OE2-NZ 2.83Å
200E57.6Low57.4Low125 Ų125119 Ų11958%0.58462%0.616SS**Hα-helixtrans-68.3-44.1174.3-74.4-121.4124.300111.5E196 E197 K203 L204E196-E200 WeakPolarHBondContact O-CG 3.42Å; E196-E200 PolarHBondContact O-N 2.76Å; E197-E200 PolarHBondContact O-N 3.46Å; E200-K203 WeakPolarHBondContact O-CB 3.37Å; E200-K203 PolarHBondContact O-N 3.42Å; E200-K203 VanDerWaalsContact O-N 3.12Å; E200-L204 WeakPolarHBondContact O-CB 3.29Å; E200-L204 VanDerWaalsContact O-CG 3.3Å; E200-L204 WeakPolarHBondContact O-CG 3.31Å; E200-L204 PolarHBondContact O-N 3.26Å
201D59.8Low56.7Low114 Ų114120.6 Ų120.661%0.6163%0.625SS**Hα-helixtrans-65.6-40.2177-102.3-6.3000112E197 K203 L204 E205E197-D201 PolarHBondContact O-N 3.46Å; D201-K203 PolarHBondContact O-N 3.27Å; D201-L204 PolarHBondContact O-N 2.87Å; D201-E205 PolarHBondContact O-N 3.44Å
202E58Low56.2Low107 Ų107125.1 Ų125.150%0.564%0.641SS.*Hα-helixtrans-59.3-33.2171-99.8-111.8138.900112.6E198 R206E198-E202 WeakPolarHBondContact O-CB 3.5Å; E198-E202 PolarHBondContact O-N 3.14Å; E198-E202 VanDerWaalsContact O-N 3.07Å; E202-R206 WeakPolarHBondContact O-CD 3.32Å; E202-R206 VanDerWaalsContact O-CG 3.28Å; E202-R206 WeakPolarHBondContact O-CG 3.23Å; E202-R206 IonicContact OE1-CZ 3.74Å; E202-R206 IonicContact OE1-NH2 2.84Å; E202-R206 PolarHBondContact OE1-NH2 2.92Å; E202-R206 IonicContact OE2-CZ 3.02Å; E202-R206 IonicContact OE2-NH1 3.88Å; E202-R206 PolarHBondContact OE2-NH1 3.45Å; E202-R206 IonicContact OE2-NH2 2.69Å; E202-R206 PolarHBondContact OE2-NH2 2.91Å
203K59.9Low55.4Low108 Ų108131.5 Ų131.547%0.4766%0.659SS.*Hα-helixtrans-77.6-38.1176.5-70.2159.1-158.6159.80111.5E199 E200 D201 R206E199-K203 WeakPolarHBondContact O-CB 3.39Å; E199-K203 WeakPolarHBondContact O-CD 3.43Å; E199-K203 VanDerWaalsContact O-CE 3.22Å; E199-K203 WeakPolarHBondContact O-CE 3.4Å; E199-K203 WeakPolarHBondContact O-CG 3.41Å; E199-K203 PolarHBondContact O-N 3.14Å; E199-K203 WeakPolarHBondContact OE2-CE 3.05Å; E199-K203 IonicContact OE2-NZ 2.8Å; E199-K203 PolarHBondContact OE2-NZ 2.83Å; E200-K203 WeakPolarHBondContact O-CB 3.37Å; E200-K203 PolarHBondContact O-N 3.42Å; E200-K203 VanDerWaalsContact O-N 3.12Å; D201-K203 PolarHBondContact O-N 3.27Å; K203-R206 PolarHBondContact O-N 3.45Å
204L57.9Low54.9Low110 Ų110139.5 Ų139.558%0.57668%0.68SS**Hα-helixtrans-72.2-42.7-178.8-72.3170.4000112.6E200 D201 R206 V207E200-L204 WeakPolarHBondContact O-CB 3.29Å; E200-L204 VanDerWaalsContact O-CG 3.3Å; E200-L204 WeakPolarHBondContact O-CG 3.31Å; E200-L204 PolarHBondContact O-N 3.26Å; D201-L204 PolarHBondContact O-N 2.87Å; L204-R206 PolarHBondContact O-N 3.41Å; L204-V207 PolarHBondContact O-N 3.33Å
205E58.3Low54Low186 Ų186148.3 Ų148.387%0.86970%0.704SS**THydrogen-bonded Turntrans-61.7-23.9173.6-78.3-136.6137.500112.8D201D201-E205 PolarHBondContact O-N 3.44Å
206R56.9Low53Low166 Ų166147.4 Ų147.463%0.62671%0.713SS**THydrogen-bonded Turntrans-83-2.7-179.5-75.2179.9-178.7147.112.6115E202 K203 L204 P208E202-R206 WeakPolarHBondContact O-CD 3.32Å; E202-R206 VanDerWaalsContact O-CG 3.28Å; E202-R206 WeakPolarHBondContact O-CG 3.23Å; E202-R206 IonicContact OE1-CZ 3.74Å; E202-R206 IonicContact OE1-NH2 2.84Å; E202-R206 PolarHBondContact OE1-NH2 2.92Å; E202-R206 IonicContact OE2-CZ 3.02Å; E202-R206 IonicContact OE2-NH1 3.88Å; E202-R206 PolarHBondContact OE2-NH1 3.45Å; E202-R206 IonicContact OE2-NH2 2.69Å; E202-R206 PolarHBondContact OE2-NH2 2.91Å; K203-R206 PolarHBondContact O-N 3.45Å; L204-R206 PolarHBondContact O-N 3.41Å; R206-P208 VanDerWaalsContact O-CD 3.31Å; R206-P208 WeakPolarHBondContact O-CD 3.22Å
207V52.7Low52.5Low99 Ų99151.6 Ų151.660%0.672%0.724SS**SBendtrans-88.4111.8177-174.80000111L204 S209L204-V207 PolarHBondContact O-N 3.33Å; V207-S209 PolarHBondContact O-N 2.89Å; V207-S209 VanDerWaalsContact O-N 3.17Å
208P50.4Low51.9Low115 Ų115155.7 Ų155.775%0.74773%0.733SS**PPolyproline II helixtrans-70.3116.8-178.9-17.132.8000111.3R206 P210R206-P208 VanDerWaalsContact O-CD 3.31Å; R206-P208 WeakPolarHBondContact O-CD 3.22Å; P208-P210 WeakPolarHBondContact O-CD 3.42Å
209S47.5Very low51.4Low114 Ų114156.1 Ų156.180%0.79774%0.741SS**PPolyproline II helixtrans-52.6122.6177.3-76.30000112V207 D211V207-S209 PolarHBondContact O-N 2.89Å; V207-S209 VanDerWaalsContact O-N 3.17Å; S209-D211 PolarHBondContact O-N 3.42Å
210P53.4Low51.1Low124 Ų124157.5 Ų157.581%0.80575%0.751SS**PPolyproline II helixtrans-62.2122.6179.1-25.635.6000112.6P208P208-P210 WeakPolarHBondContact O-CD 3.42Å
211D46.1Very low50.8Low158 Ų158158.6 Ų158.685%0.84576%0.761SS**PPolyproline II helixtrans-59.8142.6-167.3-165.14.6000113.9S209 R213S209-D211 PolarHBondContact O-N 3.42Å; D211-R213 PolarHBondContact O-N 2.85Å
212H48.5Very low50.2Low168 Ų168162.5 Ų162.578%0.77877%0.773SS**  trans-70.4112.1-171.6-86.7-63.8000112.3R214H212-R214 PolarHBondContact O-N 2.71Å
213R40.6Very low49.6Very low252 Ų252162.4 Ų162.495%0.95178%0.781SS**  trans-41.3108.9169.3-66.7-178.5178.2-177.4-0.1112.1D211D211-R213 PolarHBondContact O-N 2.85Å
214R48.5Very low48.8Very low230 Ų230168.7 Ų168.787%0.86880%0.802SS**  trans-133.5138.7173.8-94.4-175.2165.2-175.1-1.4112.4H212H212-R214 PolarHBondContact O-N 2.71Å
215R42.3Very low48.1Very low244 Ų244174.8 Ų174.892%0.92182%0.817SS**  trans63.590.5165.2-65.1175.2164167.6-5.9117.4
216S37.4Very low47.7Very low115 Ų115171.6 Ų171.680%0.80482%0.816SS**  -15391.5126.7-166.30000111.5
217Y49.1Very low47Very low233 Ų233169.7 Ų169.791%0.91482%0.824SS**  trans-142.6127.6149-117.3-88.5000105.7
218R46.7Very low47Very low230 Ų230171 Ų17187%0.86883%0.833SS**  trans-116.6137.8-171.9-157176.2-167.5171.23.1108.1L220R218-L220 PolarHBondContact O-N 3.31Å
219D48.4Very low46.7Very low163 Ų163172.4 Ų172.487%0.87283%0.834SS**  trans-57.2131.9-161.6-51.8-104.7000114.1
220L52.5Low46.5Very low147 Ų147177.9 Ų177.977%0.7784%0.837SS**  trans-95.8151163.7-77.1167.1000110.3R218R218-L220 PolarHBondContact O-N 3.31Å
221D51.7Low45.8Very low148 Ų148181.9 Ų181.979%0.79184%0.837SS**  trans58.480.7158.8-56.3-44.7000120.1
222K46.8Very low45.5Very low196 Ų196185 Ų18585%0.85284%0.837SS**  -67.7165.8128.9-122.679.7170.8-174.20108.8
223P45.7Very low45Very low104 Ų104188.6 Ų188.668%0.67584%0.844SS**  cis-141.1168.7-3.441.3-24.4000116.3
224R44Very low45Very low240 Ų240182.3 Ų182.391%0.90684%0.838SS**  trans179.2104.3134.4-95.1149.9-164.9-1294.4109.1
225R42.7Very low44.4Very low238 Ų238182.8 Ų182.890%0.89884%0.84SS**  51.2100.194.7-90.8-167.6173.4-170.80.1115.4
226S48.9Very low44.8Very low120 Ų120175.7 Ų175.784%0.83983%0.828SS**  trans-172112.8132.8-81.90000110.4
227P43.8Very low44.9Very low125 Ų125181.5 Ų181.581%0.81283%0.832SS**  trans-110.5126.1-179.735.7-26.3000113.2
228T51.6Low44.9Very low127 Ų127176.1 Ų176.178%0.77983%0.828SS**  trans-137.4130.9175.340.40000114
229L44.6Very low44.9Very low145 Ų145170.6 Ų170.676%0.75982%0.823SS**  trans45.3101143.6-52.6178.1000118.5
230R43.5Very low44.6Very low228 Ų228173.5 Ų173.586%0.8682%0.821SS**  77.7102.978.2-78-172.8178.8-174.41.1116
231Y38.6Very low44.4Very low209 Ų209175.6 Ų175.682%0.8282%0.819SS**  84.9147.6123.8-154.6-114000120.2
232R40.7Very low43.9Very low222 Ų222178.8 Ų178.884%0.83882%0.82SS**  trans69147.6-170.4-50.2-177176.6178.8-1.7112.4
233R37.1Very low43.5Very low245 Ų245174.4 Ų174.493%0.92581%0.814SS**  cis-139.7128.115.2-166.8176-168.2158.70.8111.3
234S39.6Very low43.2Very low119 Ų119181.1 Ų181.183%0.83283%0.826SS**  trans-79149.2176.348.90000112.6
235R37.5Very low43.2Very low241 Ų241175.1 Ų175.191%0.90982%0.821SS**  trans-134.3131.4164.7-157.1165.4-171.8166.21.6111.3
236S49.4Very low43.3Very low94 Ų94169.3 Ų169.366%0.65781%0.814SS**  trans-25.2133.217448.30000116.3
237R40Very low43Very low237 Ų237172.8 Ų172.889%0.89481%0.814SS**  cis67.284.530.7-157-170.7-163.1-170.77.3114.7
238S49.1Very low43.1Very low120 Ų120176.9 Ų176.984%0.83981%0.813SS**  trans-148.397.6166.8-77.10000112.2
239P46.2Very low42.6Very low115 Ų115181.7 Ų181.775%0.74782%0.817SS**  trans-110.2131.9-177.436.2-28.1000114.5
240R43.8Very low42.6Very low224 Ų224180.2 Ų180.285%0.84582%0.819SS**  trans-140.8121.7163.8-80.1-166.4175.6-1650.3108.8
241R47.1Very low42.8Very low191 Ų191175 Ų17572%0.72182%0.815SS**  66.913689.8-68-179.7-178.7-152.31.2112.7
242R40.9Very low43.5Very low214 Ų214170.3 Ų170.381%0.80881%0.813SS**  cis-161.2163.9-5.7-127.8176.7-177.7176.1-2109.1
243S39.1Very low44Very low105 Ų105165 Ų16573%0.73481%0.807SS**  trans-61.8144.2170.945.30000114.1
244R39.9Very low44.3Very low244 Ų244164.6 Ų164.692%0.92181%0.805SS**  trans173.5125.7135-98.5163.8178.9-177.8-1.9113.2
245S42.9Very low44.5Very low115 Ų115168.5 Ų168.580%0.80480%0.802SS**  trans-67.3150.2152-34.60000109.1
246P45.8Very low44.9Very low116 Ų116161.8 Ų161.875%0.75378%0.781SS**  -158.5143.989.139-18.6000118.6
247K41.6Very low44.3Very low193 Ų193167.3 Ų167.384%0.83979%0.787SS**  34.698.9124.5-165-179.3-167.4172.70119.5
248R46.2Very low44.7Very low211 Ų211163.6 Ų163.680%0.79678%0.78SS**  trans175.7122.4138.1-96.7151.2-165.8-99.33.1111.9
249R40.3Very low44.1Very low228 Ų228169.8 Ų169.886%0.8679%0.785SS**  77.6133.7107.1-76.6-170.5172.5-175.5-3.3116.7
250S45.2Very low43.9Very low114 Ų114169.4 Ų169.480%0.79778%0.784SS**  trans-107.7162.3-17745.80000113.7
251P48.5Very low43.8Very low118 Ų118167.9 Ų167.977%0.76678%0.784SS**  trans-115.4157.1148.511.59.7000111.2
252S52.1Low43.7Very low111 Ų111163.8 Ų163.878%0.77679%0.785SS**  cis139.4172.6-10.474.90000109.9
253P52.7Low43.9Very low110 Ų110159.4 Ų159.471%0.71478%0.784SS**  -138.8175.9-103.137.3-15.6000117.2
254R43.1Very low44.2Very low237 Ų237165.3 Ų165.389%0.89479%0.79SS**  trans-171.3172.9163-90.7125.4-163.3-1132.3108.3
255R42.9Very low44.1Very low201 Ų201163.2 Ų163.276%0.75878%0.782SS**  cis-167.6138.9-45.6-108.3-173.480.8-164.66.8104.6
256E45.3Very low44Very low100 Ų100165.5 Ų165.547%0.46778%0.78SS.*  cis-113.2-121.9-4.1-53.1-165.2129.800109.5
257R38.1Very low43.5Very low209 Ų209169.8 Ų169.879%0.78978%0.781SS**  cis-144.8-172.2-10.9-150.5152.3-126.2-129.6-8110.5
258H47.7Very low43.5Very low160 Ų160165.4 Ų165.474%0.74178%0.775SS**  trans-123.9157.7-172.3-47.4-70.1000109.3
259R37.8Very low43Very low250 Ų250165.8 Ų165.894%0.94378%0.776SS**  cis-146.215646-100173.9173.1148.4-2.2114.3
260S41.7Very low43.1Very low106 Ų106159.7 Ų159.774%0.74177%0.768SS**  trans-129.2170.7-179.559.30000111.8
261K40.9Very low42.9Very low193 Ų193165.3 Ų165.384%0.83977%0.772SS**  trans113.9144170.7-68.8173.2178.3-178.50113.7
262S45.7Very low42.7Very low105 Ų105165.8 Ų165.873%0.73477%0.768SS**  cis-177.3135.8-26-100.30000106.2
263P44.4Very low42.3Very low121 Ų121171.2 Ų171.279%0.78677%0.772SS**  trans-83.6135.9-179.332.2-33.6000112.2
264R44.5Very low41.7Very low229 Ų229176.6 Ų176.686%0.86478%0.778SS**  trans171.8137.9130.9-96.3163.9-175.3-149.60.2113.5
265R39Very low41.8Very low200 Ų200172.3 Ų172.376%0.75577%0.767SS**  trans57.9132.3142.8-78.8-177.1169.1-163.3-1.1120.9
266H40.7Very low41.5Very low163 Ų163174 Ų17476%0.75577%0.774SS**  trans72.3159145.6-60.6-28.7000117.8
267R35.4Very low41.2Very low207 Ų207174 Ų17478%0.78179%0.785SS**  cis-174128.4-29.4-179.6178.8-162.7171.63.1106.2
268S40.5Very low41.2Very low101 Ų101174.8 Ų174.871%0.70679%0.788SS**  trans66.7165.6-179.6860000114.1
269R36.6Very low40.8Very low218 Ų218171.9 Ų171.982%0.82379%0.786SS**  cis-155.6144.86.5-144.3155.9-167165.1-0.2111.1
270S42.9Very low40.8Very low100 Ų100170 Ų17070%0.69979%0.785SS**  trans49.7132.9147.2580000122.3
271R40.6Very low41Very low232 Ų232170.2 Ų170.288%0.87579%0.786SS**  trans106.8135.2159-65-166.8166.3149.6-1.2114.7
272D45.2Very low41.1Very low129 Ų129167.3 Ų167.369%0.6979%0.787SS**  cis-165.1167.8-23.7-126-51.8000107.5
273R42.8Very low40.9Very low225 Ų225165.6 Ų165.685%0.84979%0.786SS**  trans81.7126.9-175.9-49.2161.7-177.5-172.50.3114.2
274R40.9Very low40.8Very low222 Ų222168 Ų16884%0.83879%0.787SS**  cis-143.5160.5-7.1-112178.8-177.8170.5-0.2111.4
275H45Very low40.7Very low147 Ų147165 Ų16568%0.68178%0.782SS**  trans-50162.5175.1-33.9-71.5000113.7
276R37Very low40.8Very low236 Ų236166.7 Ų166.789%0.89179%0.788SS**  cis-155.41575.1-141160.5-167.7162.20.1109.8
277S37.6Very low40.9Very low102 Ų102163.1 Ų163.171%0.71378%0.781SS**  trans-90.9179.8174.256.30000112.6
278R37.6Very low41.4Very low224 Ų224161.4 Ų161.485%0.84578%0.782SS**  trans77.6101.6160.6-79.4-179.3165.2162.5-4.7119.2
279S39.7Very low41.5Very low100 Ų100165.1 Ų165.170%0.69978%0.781SS**  39.2111.7114.165.40000119.2
280K39.3Very low41.9Very low210 Ų210161.9 Ų161.991%0.91377%0.774SS**  -172.7133.8117.9-106.1175.6179-173.80112
281S45Very low41.7Very low110 Ų110168.4 Ų168.477%0.76978%0.784SS**  trans-77.5176.5156.7-40.60000109.7
282P42.6Very low41.7Very low133 Ų133162.8 Ų162.886%0.86478%0.78SS**  -128.8178.9-51.435.3-20.3000111.3
283G41.7Very low41.5Very low69 Ų69164.6 Ų164.671%0.71178%0.784SS**  trans137.3167.6154.400000118.1
284H43.1Very low41.6Very low172 Ų172158.9 Ų158.980%0.79678%0.778SS**  trans52.898.3-179.4-71.5-72.7000117.6
285H42.6Very low41.8Very low165 Ų165156.9 Ų156.976%0.76478%0.776SS**  63.3109.373.4-68.1-80.1000114.2
286R39.7Very low41.8Very low236 Ų236155.4 Ų155.489%0.89178%0.782SS**  trans-146.4109.3138.1-115.5178.6-167.9-1723.1111.1
287S42.7Very low42.7Very low87 Ų87150.1 Ų150.161%0.60878%0.778SS**  trans-95.3132.5172.446.20000110.3
288H47.2Very low43.1Very low172 Ų172153.9 Ų153.980%0.79679%0.785SS**  trans-120.794.4155-75.8-92.1000105.6
289R42.2Very low43.3Very low179 Ų179154.6 Ų154.668%0.67579%0.787SS**  6290.268.8-66.5-156.282.6175.17.5113.4
290H44.8Very low43.7Very low149 Ų149154 Ų15469%0.6978%0.783SS**  trans71.1163.4144.3-44.8-49.5000114.5
291R38.7Very low44.2Very low238 Ų238152.9 Ų152.990%0.89878%0.778SS**  cis-150.913825.9-154.5173.7-162.8161.81.2111.7
292S40.2Very low44.4Very low113 Ų113157 Ų15779%0.7978%0.782SS**  trans-70.5142.6165.741.20000110.4
293H41.1Very low44.8Very low167 Ų167154.6 Ų154.677%0.77377%0.768SS**  trans-141.3106.8157.8-152.266.9000110.8
294S45.6Very low45.3Very low106 Ų106159.3 Ų159.374%0.74177%0.772SS**  trans-84.8136.9163.345.30000109.3
295K43.9Very low45.8Very low180 Ų180158.8 Ų158.878%0.78377%0.767SS**  trans-175.8119.7145.4-106.7161.3-175.1-176.80112
296S46.4Very low46.3Very low115 Ų115159.6 Ų159.680%0.80477%0.768SS**  trans-70.3154.7157.7-400000110
297P55.6Low46.8Very low126 Ų126153 Ų15382%0.81876%0.758SS**  trans-113114.9145.26.513.9000109.5
298E45.4Very low47.2Very low181 Ų181158.4 Ų158.485%0.84677%0.765SS**  trans-66.6169.7149.7-74.1-166.210400110.2
299R42.3Very low47.2Very low238 Ų238160.9 Ų160.990%0.89877%0.768SS**  trans90.6144.6171.5-60.7-177168.2-162.4-0.9116.6
300S48.8Very low47.5Very low87 Ų87155.7 Ų155.761%0.60877%0.77SS**  cis-171.8148.1-21.956.80000112.3
301K49.8Very low47.7Very low187 Ų187156.3 Ų156.381%0.81378%0.778SS**  trans64.5141.1140.9-73.9167.9-179.3178.60119.3
302K48.9Very low48.3Very low197 Ų197157.8 Ų157.886%0.85780%0.795SS**  trans71.3154.4157.8-68.9173.8178.1-176.20117.6
303S49.2Very low48.7Very low82 Ų82160 Ų16057%0.57380%0.796SS**  cis-176.5130.5-38.551.20000109.9
304H53.4Low49.1Very low168 Ų168159.6 Ų159.678%0.77880%0.797SS**  trans165.2149.5133-85.12.5000109.3
305K53Low49.3Very low162 Ų162162.6 Ų162.670%0.70480%0.8SS**  cis132.8125.2-9.5173.2179.1-179-1790109
306K52.6Low49.6Very low181 Ų181161.6 Ų161.679%0.78780%0.801SS**  trans68.2113.9173.6-77.9-178.1174.1-172.40114.5
307S51.2Low49.8Very low97 Ų97164.5 Ų164.568%0.67880%0.801SS**  89.4147.678.983.90000111.6
308R51.6Low49.4Very low202 Ų202167.1 Ų167.176%0.76280%0.799SS**  cis-164.1169.642-135.2169.6-177.5-178.4-0.5109.8
309R47.1Very low49.7Very low223 Ų223166.1 Ų166.184%0.84280%0.796SS**  trans7.9144.7152.7-62.4168.6178.8-179.7-6.2119.1
310G48.8Very low50.3Low70 Ų70160.5 Ų160.572%0.72279%0.788SS**  cis164-174.15.300000110.7
311N48Very low50.4Low163 Ų163166.7 Ų166.787%0.87280%0.803SS**  trans-67.8143.5174.9-62.122.8000112
312E50.8Low50.4Low268 Ų268164.8 Ų164.8100%1.25280%0.802SS**  -110.60115.5-78.1-178.5117.600107.8

Retrieved 312 of 312 residues in 48.2 ms (Link to these results)

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