A0A5K4EWL0_SCHMA Loading...

Tudor domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4EWL0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 306 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M81.1Confident87.4Confident215 Ų21549.7 Ų49.7100%1.05925%0.251SS*.  0136.70-164.5164.287.500106.7
2W87.4Confident87.5Confident43 Ų4350.1 Ų50.116%0.16325%0.247CC..  trans-77.5148.3179.3-65.7114.1000111.2D6 C8 I22 I25 S45 L48 K50W2-D6 HydrophobicContact CE3-CB 4.03Å; W2-D6 HydrophobicContact CZ3-CB 4.44Å; W2-C8 HydrophobicContact CH2-CB 3.63Å; W2-C8 HydrophobicContact CZ2-CB 4.29Å; W2-C8 HydrophobicContact CZ3-CB 3.77Å; W2-I22 HydrophobicContact CB-CD1 3.51Å; W2-I22 HydrophobicContact CD2-CD1 3.65Å; W2-I22 HydrophobicContact CE3-CD1 3.56Å; W2-I22 HydrophobicContact CG-CD1 3.66Å; W2-I22 HydrophobicContact CZ3-CD1 4.4Å; W2-I25 WeakPolarHBondContact O-CD1 3.41Å; W2-S45 VanDerWaalsContact CD1-OG 3.28Å; W2-S45 PolarHBondContact NE1-O 3.07Å; W2-L48 HydrophobicContact CD2-CD1 4.39Å; W2-L48 HydrophobicContact CG-CD1 4.42Å; W2-L48 HydrophobicContact CH2-CB 4.4Å; W2-L48 HydrophobicContact CZ2-CB 3.55Å; W2-K50 HydrophobicContact CH2-CB 4.36Å; W2-K50 HydrophobicContact CH2-CG 3.68Å; W2-K50 HydrophobicContact CZ2-CG 4.01Å; W2-K50 HydrophobicContact CZ3-CG 4.41Å
3S83.9Confident87.2Confident46 Ų4658.8 Ų58.832%0.32229%0.287SS..  trans-127.1159.7175.6690000111.6G5 D6S3-G5 PolarHBondContact O-N 3.13Å; S3-D6 WeakPolarHBondContact CA-OD2 3.24Å; S3-D6 WeakPolarHBondContact CB-OD2 3.3Å; S3-D6 PolarHBondContact N-OD2 2.99Å; S3-D6 VanDerWaalsContact O-CB 3.32Å; S3-D6 WeakPolarHBondContact O-CB 3.23Å; S3-D6 PolarHBondContact O-N 2.78Å; S3-D6 PolarHBondContact OG-OD1 3.11Å; S3-D6 PolarHBondContact OG-OD2 2.78Å
4L82.7Confident87.2Confident86 Ų8660.8 Ų60.845%0.4530%0.299SS..THydrogen-bonded Turntrans-59133.6176.4-65179.9000110.3D6 I22 E23 I25L4-D6 VanDerWaalsContact C-N 3.29Å; L4-I22 HydrophobicContact CD2-CG2 4.37Å; L4-E23 VanDerWaalsContact CD2-O 3.23Å; L4-E23 WeakPolarHBondContact CD2-O 3.5Å; L4-I25 HydrophobicContact CD2-CD1 4.16Å; L4-I25 HydrophobicContact CD2-CG1 4.04Å; L4-I25 HydrophobicContact CG-CD1 4.45Å
5G81.4Confident87.2Confident0 Ų066.6 Ų66.60%032%0.322CS..THydrogen-bonded Turntrans82.8-4.8-175.400000114.6S3 I22 Y76 I79S3-G5 PolarHBondContact O-N 3.13Å; G5-I22 PolarHBondContact N-O 2.93Å; G5-Y76 WeakPolarHBondContact O-CD2 3.26Å; G5-I79 VanDerWaalsContact CA-CG2 3.44Å
6D84.6Confident87.4Confident32 Ų3264.4 Ų64.417%0.17131%0.314CS..  trans-65.9139.2175.6-73.6-18.5000110.9W2 S3 L4 I21 I22 K80W2-D6 HydrophobicContact CE3-CB 4.03Å; W2-D6 HydrophobicContact CZ3-CB 4.44Å; S3-D6 WeakPolarHBondContact CA-OD2 3.24Å; S3-D6 WeakPolarHBondContact CB-OD2 3.3Å; S3-D6 PolarHBondContact N-OD2 2.99Å; S3-D6 VanDerWaalsContact O-CB 3.32Å; S3-D6 WeakPolarHBondContact O-CB 3.23Å; S3-D6 PolarHBondContact O-N 2.78Å; S3-D6 PolarHBondContact OG-OD1 3.11Å; S3-D6 PolarHBondContact OG-OD2 2.78Å; L4-D6 VanDerWaalsContact C-N 3.29Å; D6-I21 WeakPolarHBondContact O-CA 3.46Å; D6-I22 HydrophobicContact CB-CD1 4.24Å; D6-I22 PolarHBondContact O-N 2.97Å; D6-K80 IonicContact OD1-NZ 2.66Å; D6-K80 PolarHBondContact OD1-NZ 2.82Å
7V89.7Confident87.7Confident27 Ų2764.1 Ų64.116%0.16431%0.309CS..EExtended strand (participates in β ladder)trans-85.7133.2174.1-166.50000109.3L19 F20 I21 I51 V72 Y76V7-L19 HydrophobicContact CG1-CD2 3.96Å; V7-F20 CarbonylContact C-O 3.52Å; V7-F20 WeakPolarHBondContact CA-O 3.47Å; V7-I21 HydrophobicContact CG2-CG1 4.16Å; V7-I51 HydrophobicContact CB-CD1 3.79Å; V7-I51 HydrophobicContact CG1-CD1 3.71Å; V7-V72 HydrophobicContact CG1-CG1 3.76Å; V7-V72 HydrophobicContact CG2-CG1 4.01Å; V7-Y76 HydrophobicContact CG2-CD2 3.51Å; V7-Y76 HydrophobicContact CG2-CE2 4.17Å; V7-Y76 HydrophobicContact CG2-CG 4.11Å
8C90.5Very high87.9Confident0 Ų060.7 Ų60.70%029%0.293CS..EExtended strand (participates in β ladder)trans-135.7162.6-179.361.10000110.9W2 F20 L48W2-C8 HydrophobicContact CH2-CB 3.63Å; W2-C8 HydrophobicContact CZ2-CB 4.29Å; W2-C8 HydrophobicContact CZ3-CB 3.77Å; C8-F20 PolarHBondContact N-O 3.35Å; C8-F20 PolarHBondContact O-N 2.55Å; C8-F20 PolarHBondContact SG-O 2.86Å; C8-L48 HydrophobicContact CB-CB 4.34Å; C8-L48 HydrophobicContact CB-CD2 4.45Å
9I93.2Very high88.1Confident0 Ų058.1 Ų58.10%028%0.28CS..EExtended strand (participates in β ladder)trans-106.5128.5173.1-64.5167.3000107.3Y17 D18 L19 L49 I51 N55 L59I9-Y17 HydrophobicContact CG2-CD1 3.82Å; I9-Y17 HydrophobicContact CG2-CG 4.37Å; I9-D18 WeakPolarHBondContact CA-O 3.45Å; I9-L19 HydrophobicContact CG1-CD2 3.92Å; I9-L49 HydrophobicContact CB-CB 3.98Å; I9-L49 HydrophobicContact CG2-CB 4.35Å; I9-L49 HydrophobicContact CG2-CD1 4.4Å; I9-L49 PolarHBondContact N-O 3.4Å; I9-L49 WeakPolarHBondContact O-CB 3.4Å; I9-L49 PolarHBondContact O-N 3.03Å; I9-I51 HydrophobicContact CD1-CG1 4.48Å; I9-I51 HydrophobicContact CG1-CG1 4.49Å; I9-N55 HydrophobicContact CD1-CB 3.77Å; I9-L59 HydrophobicContact CD1-CD1 3.91Å; I9-L59 HydrophobicContact CD1-CG 4.24Å; I9-L59 HydrophobicContact CG1-CD1 4.13Å; I9-L59 HydrophobicContact CG1-CD2 4.25Å; I9-L59 HydrophobicContact CG1-CG 4.43Å; I9-L59 HydrophobicContact CG2-CD2 4Å
10Y94Very high88.3Confident40 Ų4055.2 Ų55.216%0.15727%0.266CS..EExtended strand (participates in β ladder)trans-137.4146179.9175.2-108.2000111D18 F20 V34 T41 C43 D47 L48Y10-D18 PolarHBondContact N-O 2.85Å; Y10-D18 VanDerWaalsContact N-O 3.09Å; Y10-D18 PolarHBondContact O-N 3.21Å; Y10-F20 HydrophobicContact CD1-CD2 4.47Å; Y10-F20 AromaticContact CD1-CE2 3.95Å; Y10-F20 HydrophobicContact CD1-CE2 3.95Å; Y10-F20 HydrophobicContact CD1-CZ 4.08Å; Y10-F20 HydrophobicContact CG-CE2 4.45Å; Y10-V34 HydrophobicContact CD1-CG2 4.44Å; Y10-T41 HydrophobicContact CD1-CG2 4.16Å; Y10-T41 HydrophobicContact CE1-CG2 3.75Å; Y10-C43 HydrophobicContact CD2-CB 4.17Å; Y10-C43 HydrophobicContact CE1-CB 4.31Å; Y10-C43 HydrophobicContact CE2-CB 3.46Å; Y10-C43 VanDerWaalsContact CE2-CB 3.46Å; Y10-D47 HydrophobicContact CD2-CB 4.25Å; Y10-D47 HydrophobicContact CE2-CB 3.94Å; Y10-L48 HydrophobicContact CD2-CD2 4.05Å; Y10-L48 HydrophobicContact CG-CD2 4.25Å
11Q93.1Very high88.3Confident58 Ų5852.8 Ų52.827%0.27126%0.255SS..EExtended strand (participates in β ladder)trans-85.9119.3178.4-166.7179.437.300110.3K15 Y17Q11-K15 PolarHBondContact NE2-O 2.88Å; Q11-Y17 HydrophobicContact CB-CD1 3.89Å; Q11-Y17 HydrophobicContact CB-CE1 3.65Å; Q11-Y17 HydrophobicContact CB-CG 4.45Å; Q11-Y17 HydrophobicContact CG-CD1 4.47Å; Q11-Y17 HydrophobicContact CG-CD2 4.47Å; Q11-Y17 HydrophobicContact CG-CE1 4.28Å; Q11-Y17 HydrophobicContact CG-CE2 4.26Å
12R87.9Confident88.7Confident54 Ų5442.5 Ų42.520%0.20420%0.204CC..  trans-69.1168.7173.6-61.2-167.8-44.4-156.88.2112D14 K15 V16 D18 F20R12-D14 WeakPolarHBondContact CB-OD1 3.3Å; R12-D14 IonicContact CZ-OD1 3.75Å; R12-D14 IonicContact CZ-OD2 3.63Å; R12-D14 IonicContact NE-OD1 3.06Å; R12-D14 PolarHBondContact NE-OD1 3.36Å; R12-D14 IonicContact NE-OD2 3.55Å; R12-D14 IonicContact NH2-OD1 2.62Å; R12-D14 IonicContact NH2-OD2 3.54Å; R12-D14 PolarHBondContact NH2-OD2 3.25Å; R12-D14 PolarHBondContact O-N 3.28Å; R12-K15 PolarHBondContact O-N 3.33Å; R12-V16 WeakPolarHBondContact CB-O 3.42Å; R12-V16 PolarHBondContact N-O 3.01Å; R12-D18 HydrophobicContact CG-CB 4.26Å; R12-D18 IonicContact NH1-OD2 3.32Å; R12-D18 PolarHBondContact NH1-OD2 2.81Å; R12-F20 HydrophobicContact CG-CE2 4.3Å; R12-F20 HydrophobicContact CG-CZ 4.03Å
13E84.7Confident88.6Confident164 Ų16442.4 Ų42.477%0.76621%0.206SC*.THydrogen-bonded Turntrans-56.3-33.2176.9-67.3179.7-168.800113.1K15E13-K15 PolarHBondContact O-N 3.27Å
14D86.6Confident88.7Confident86 Ų8646.1 Ų46.146%0.4622%0.218SC..THydrogen-bonded Turntrans-78.511.6177.571-20.4000114.1R12 V16R12-D14 WeakPolarHBondContact CB-OD1 3.3Å; R12-D14 IonicContact CZ-OD1 3.75Å; R12-D14 IonicContact CZ-OD2 3.63Å; R12-D14 IonicContact NE-OD1 3.06Å; R12-D14 PolarHBondContact NE-OD1 3.36Å; R12-D14 IonicContact NE-OD2 3.55Å; R12-D14 IonicContact NH2-OD1 2.62Å; R12-D14 IonicContact NH2-OD2 3.54Å; R12-D14 PolarHBondContact NH2-OD2 3.25Å; R12-D14 PolarHBondContact O-N 3.28Å; D14-V16 PolarHBondContact O-N 3.49Å; D14-V16 WeakPolarHBondContact OD1-CB 3.46Å; D14-V16 PolarHBondContact OD1-N 3.47Å
15K87.3Confident88.9Confident148 Ų14844.8 Ų44.864%0.64321%0.211SC*.SBendtrans6612.6-179.8-55.3-59.5-176.1-173.20115Q11 R12 E13Q11-K15 PolarHBondContact NE2-O 2.88Å; R12-K15 PolarHBondContact O-N 3.33Å; E13-K15 PolarHBondContact O-N 3.27Å
16V90.8Very high89.1Confident32 Ų3247.8 Ų47.819%0.19423%0.227CC..  trans-91.3136.9173.3-177.90000109.8R12 D14 N62R12-V16 WeakPolarHBondContact CB-O 3.42Å; R12-V16 PolarHBondContact N-O 3.01Å; D14-V16 PolarHBondContact O-N 3.49Å; D14-V16 WeakPolarHBondContact OD1-CB 3.46Å; D14-V16 PolarHBondContact OD1-N 3.47Å; V16-N62 HydrophobicContact CG1-CB 3.63Å
17Y92.6Very high88.8Confident59 Ų5953.3 Ų53.323%0.23126%0.255CS..EExtended strand (participates in β ladder)trans-84.1138.2172.5-72.6-88.2000110.2I9 Q11 L49 L58 N62I9-Y17 HydrophobicContact CG2-CD1 3.82Å; I9-Y17 HydrophobicContact CG2-CG 4.37Å; Q11-Y17 HydrophobicContact CB-CD1 3.89Å; Q11-Y17 HydrophobicContact CB-CE1 3.65Å; Q11-Y17 HydrophobicContact CB-CG 4.45Å; Q11-Y17 HydrophobicContact CG-CD1 4.47Å; Q11-Y17 HydrophobicContact CG-CD2 4.47Å; Q11-Y17 HydrophobicContact CG-CE1 4.28Å; Q11-Y17 HydrophobicContact CG-CE2 4.26Å; Y17-L49 HydrophobicContact CD1-CD1 4.24Å; Y17-L49 HydrophobicContact CE1-CD1 3.72Å; Y17-L58 HydrophobicContact CD1-CD1 4.29Å; Y17-L58 HydrophobicContact CD2-CB 3.86Å; Y17-L58 HydrophobicContact CD2-CD1 4.24Å; Y17-L58 HydrophobicContact CD2-CD2 4.47Å; Y17-L58 HydrophobicContact CD2-CG 4.43Å; Y17-L58 HydrophobicContact CE1-CD1 4.15Å; Y17-L58 HydrophobicContact CE2-CB 4.47Å; Y17-L58 HydrophobicContact CE2-CD1 4.13Å; Y17-L58 HydrophobicContact CE2-CD2 4.35Å; Y17-L58 HydrophobicContact CG-CB 3.95Å; Y17-L58 HydrophobicContact CG-CD1 4.31Å; Y17-N62 PolarHBondContact O-ND2 2.87Å
18D91.3Very high88.5Confident2 Ų260.4 Ų60.41%0.01129%0.287CS..EExtended strand (participates in β ladder)trans-139.5164.7-179.9-155.7-0.1000110.7I9 Y10 R12 F20 S36 N62 T68I9-D18 WeakPolarHBondContact CA-O 3.45Å; Y10-D18 PolarHBondContact N-O 2.85Å; Y10-D18 VanDerWaalsContact N-O 3.09Å; Y10-D18 PolarHBondContact O-N 3.21Å; R12-D18 HydrophobicContact CG-CB 4.26Å; R12-D18 IonicContact NH1-OD2 3.32Å; R12-D18 PolarHBondContact NH1-OD2 2.81Å; D18-F20 HydrophobicContact CB-CD2 4.36Å; D18-F20 HydrophobicContact CB-CE2 3.73Å; D18-F20 HydrophobicContact CB-CZ 4.43Å; D18-F20 WeakPolarHBondContact O-CD2 3.45Å; D18-S36 PolarHBondContact OD2-OG 3.14Å; D18-N62 PolarHBondContact OD1-ND2 3.39Å; D18-N62 PolarHBondContact OD2-ND2 3.09Å; D18-T68 WeakPolarHBondContact OD1-CB 3.47Å; D18-T68 WeakPolarHBondContact OD1-CG2 3.49Å; D18-T68 PolarHBondContact OD1-OG1 2.99Å; D18-T68 VanDerWaalsContact OD1-OG1 3.12Å
19L91.8Very high88.2Confident12 Ų1265.1 Ų65.16%0.06331%0.312CS..EExtended strand (participates in β ladder)trans-84.6138.2174.2-74.9168.1000110.3V7 I9 S36 I51 L59 I65 T68 L69 V72V7-L19 HydrophobicContact CG1-CD2 3.96Å; I9-L19 HydrophobicContact CG1-CD2 3.92Å; L19-S36 WeakPolarHBondContact O-CB 3.4Å; L19-S36 PolarHBondContact O-OG 3.26Å; L19-I51 HydrophobicContact CD2-CD1 4.3Å; L19-L59 HydrophobicContact CD1-CD1 4.34Å; L19-L59 HydrophobicContact CD2-CD1 3.94Å; L19-L59 HydrophobicContact CG-CD1 3.92Å; L19-L59 HydrophobicContact CG-CD2 4.41Å; L19-I65 HydrophobicContact CB-CD1 4.38Å; L19-I65 HydrophobicContact CD1-CD1 3.8Å; L19-I65 HydrophobicContact CD1-CG1 4.49Å; L19-I65 HydrophobicContact CG-CD1 3.88Å; L19-T68 HydrophobicContact CB-CG2 3.88Å; L19-T68 VanDerWaalsContact O-CG2 3.31Å; L19-T68 WeakPolarHBondContact O-CG2 3.45Å; L19-L69 HydrophobicContact CD1-CD1 3.97Å; L19-V72 HydrophobicContact CB-CG2 4.33Å
20F91.4Very high87.9Confident0 Ų068.7 Ų68.70%034%0.337CS..EExtended strand (participates in β ladder)trans-138.9156177.6-69.4-102000111.5V7 C8 Y10 R12 D18 V34 R35 S36 Y39 T41V7-F20 CarbonylContact C-O 3.52Å; V7-F20 WeakPolarHBondContact CA-O 3.47Å; C8-F20 PolarHBondContact N-O 3.35Å; C8-F20 PolarHBondContact O-N 2.55Å; C8-F20 PolarHBondContact SG-O 2.86Å; Y10-F20 HydrophobicContact CD1-CD2 4.47Å; Y10-F20 AromaticContact CD1-CE2 3.95Å; Y10-F20 HydrophobicContact CD1-CE2 3.95Å; Y10-F20 HydrophobicContact CD1-CZ 4.08Å; Y10-F20 HydrophobicContact CG-CE2 4.45Å; R12-F20 HydrophobicContact CG-CE2 4.3Å; R12-F20 HydrophobicContact CG-CZ 4.03Å; D18-F20 HydrophobicContact CB-CD2 4.36Å; D18-F20 HydrophobicContact CB-CE2 3.73Å; D18-F20 HydrophobicContact CB-CZ 4.43Å; D18-F20 WeakPolarHBondContact O-CD2 3.45Å; F20-V34 HydrophobicContact CB-CB 3.85Å; F20-V34 HydrophobicContact CB-CG2 4.28Å; F20-V34 HydrophobicContact CD1-CB 3.9Å; F20-V34 HydrophobicContact CD1-CG2 3.63Å; F20-V34 HydrophobicContact CE1-CG2 4.13Å; F20-V34 HydrophobicContact CG-CB 4.15Å; F20-V34 HydrophobicContact CG-CG2 4.05Å; F20-R35 CarbonylContact C-O 3.55Å; F20-R35 VanDerWaalsContact CA-O 3.28Å; F20-R35 WeakPolarHBondContact CA-O 3.38Å; F20-R35 VanDerWaalsContact CD1-C 3.41Å; F20-S36 VanDerWaalsContact CD1-N 3.34Å; F20-Y39 AromaticContact CE1-CD1 3.64Å; F20-Y39 HydrophobicContact CE1-CD1 3.64Å; F20-Y39 HydrophobicContact CE1-CE1 4.1Å; F20-Y39 AromaticContact CZ-CD1 3.77Å; F20-Y39 HydrophobicContact CZ-CD1 3.77Å; F20-Y39 HydrophobicContact CZ-CE1 4.07Å; F20-T41 HydrophobicContact CE1-CG2 4.31Å
21I89.1Confident87.7Confident4 Ų469.4 Ų69.42%0.02134%0.343CS..EExtended strand (participates in β ladder)trans-108.5138.8168.2-73.1159.4000110.4D6 V7 E23 V34 R35 V72 S75 I79D6-I21 WeakPolarHBondContact O-CA 3.46Å; V7-I21 HydrophobicContact CG2-CG1 4.16Å; I21-E23 PolarHBondContact O-N 2.8Å; I21-V34 CarbonylContact O-C 3.54Å; I21-V34 VanDerWaalsContact O-CA 3.29Å; I21-V34 WeakPolarHBondContact O-CA 3.37Å; I21-R35 PolarHBondContact N-O 3.39Å; I21-R35 PolarHBondContact O-N 3.24Å; I21-V72 HydrophobicContact CD1-CB 4.04Å; I21-V72 HydrophobicContact CD1-CG1 3.66Å; I21-V72 HydrophobicContact CD1-CG2 4.22Å; I21-V72 WeakPolarHBondContact CD1-O 3.46Å; I21-V72 HydrophobicContact CG1-CG1 3.86Å; I21-V72 HydrophobicContact CG1-CG2 4.48Å; I21-S75 WeakPolarHBondContact CD1-OG 3.27Å; I21-I79 HydrophobicContact CG2-CD1 3.71Å
22I88.9Confident87.6Confident0 Ų066.7 Ų66.70%033%0.331CS..EExtended strand (participates in β ladder)trans-75.3120.4174.4-62.8180000110.3W2 L4 G5 D6 I25 V32 V34 L48W2-I22 HydrophobicContact CB-CD1 3.51Å; W2-I22 HydrophobicContact CD2-CD1 3.65Å; W2-I22 HydrophobicContact CE3-CD1 3.56Å; W2-I22 HydrophobicContact CG-CD1 3.66Å; W2-I22 HydrophobicContact CZ3-CD1 4.4Å; L4-I22 HydrophobicContact CD2-CG2 4.37Å; G5-I22 PolarHBondContact N-O 2.93Å; D6-I22 HydrophobicContact CB-CD1 4.24Å; D6-I22 PolarHBondContact O-N 2.97Å; I22-I25 HydrophobicContact CG2-CD1 3.82Å; I22-I25 HydrophobicContact CG2-CG1 3.51Å; I22-V32 HydrophobicContact CB-CG1 4.17Å; I22-V32 HydrophobicContact CD1-CG1 4.16Å; I22-V32 HydrophobicContact CG1-CG1 3.9Å; I22-V32 HydrophobicContact CG2-CG1 3.46Å; I22-V32 VanDerWaalsContact CG2-CG1 3.46Å; I22-V34 HydrophobicContact CG1-CG1 4.16Å; I22-L48 HydrophobicContact CD1-CD1 3.9Å; I22-L48 HydrophobicContact CG1-CD1 4.35Å
23E85.4Confident87.8Confident41 Ų4165.1 Ų65.119%0.19233%0.327CS..EExtended strand (participates in β ladder)trans-103.1-39.3-175.4-65.5-140.183.900113.9L4 I21 T33 R35L4-E23 VanDerWaalsContact CD2-O 3.23Å; L4-E23 WeakPolarHBondContact CD2-O 3.5Å; I21-E23 PolarHBondContact O-N 2.8Å; E23-T33 HydrophobicContact CB-CG2 4.27Å; E23-T33 WeakPolarHBondContact CB-O 3.22Å; E23-T33 PolarHBondContact N-O 3.46Å; E23-R35 HydrophobicContact CG-CB 3.85Å; E23-R35 IonicContact OE1-CZ 3.86Å; E23-R35 IonicContact OE1-NE 2.55Å; E23-R35 IonicContact OE1-NH1 2.79Å; E23-R35 PolarHBondContact OE1-NH1 3.23Å; E23-R35 IonicContact OE1-NH2 3.38Å; E23-R35 PolarHBondContact OE1-NH2 3.39Å; E23-R35 WeakPolarHBondContact OE2-CB 3.44Å; E23-R35 IonicContact OE2-CZ 3.35Å; E23-R35 IonicContact OE2-NE 3.5Å; E23-R35 PolarHBondContact OE2-NE 3.19Å; E23-R35 IonicContact OE2-NH1 2.91Å; E23-R35 IonicContact OE2-NH2 3.84Å; E23-R35 PolarHBondContact OE2-NH2 3.3Å
24E85Confident88.2Confident124 Ų12457.3 Ų57.358%0.57929%0.291SS*.EExtended strand (participates in β ladder)trans-145.2138.2-176.5-56.2179.3159.800107.8V32 T33E24-V32 WeakPolarHBondContact O-CA 3.29Å; E24-V32 WeakPolarHBondContact O-CG1 3.02Å; E24-T33 PolarHBondContact N-O 3.03Å; E24-T33 PolarHBondContact O-N 3.09Å; E24-T33 PolarHBondContact OE2-OG1 3.37Å
25I87.6Confident88.2Confident58 Ų5856.2 Ų56.230%0.29728%0.28SS..EExtended strand (participates in β ladder)trans-122112.5176.4-61.4167.6000106.8W2 L4 I22 L27 V32W2-I25 WeakPolarHBondContact O-CD1 3.41Å; L4-I25 HydrophobicContact CD2-CD1 4.16Å; L4-I25 HydrophobicContact CD2-CG1 4.04Å; L4-I25 HydrophobicContact CG-CD1 4.45Å; I22-I25 HydrophobicContact CG2-CD1 3.82Å; I22-I25 HydrophobicContact CG2-CG1 3.51Å; I25-L27 HydrophobicContact CG2-CD2 4.18Å; I25-L27 HydrophobicContact CG2-CG 4.4Å; I25-L27 PolarHBondContact O-N 2.83Å; I25-V32 HydrophobicContact CG1-CG1 4.33Å
26N85Confident88.2Confident63 Ų6349.4 Ų49.434%0.33725%0.251SS..EExtended strand (participates in β ladder)trans-89.3101.1169.8-173.1-35.7000109.1E28 N29 S30 L31N26-E28 VanDerWaalsContact C-N 3.25Å; N26-E28 PolarHBondContact O-N 3.01Å; N26-E28 WeakPolarHBondContact OD1-CB 3.38Å; N26-E28 PolarHBondContact OD1-N 2.96Å; N26-N29 PolarHBondContact ND2-ND2 2.92Å; N26-N29 PolarHBondContact OD1-N 3.46Å; N26-N29 VanDerWaalsContact OD1-N 3.15Å; N26-S30 PolarHBondContact O-N 3.08Å; N26-L31 HydrophobicContact CB-CB 4.42Å; N26-L31 WeakPolarHBondContact CB-O 3.46Å; N26-L31 PolarHBondContact N-O 3.46Å; N26-L31 PolarHBondContact O-N 3.37Å
27L79.6Confident87.6Confident148 Ų14849.8 Ų49.878%0.77526%0.255SS*.THydrogen-bonded Turntrans-65.1-26.1-180-69.8167.5000113.2I25I25-L27 HydrophobicContact CG2-CD2 4.18Å; I25-L27 HydrophobicContact CG2-CG 4.4Å; I25-L27 PolarHBondContact O-N 2.83Å
28E82.7Confident86.8Confident175 Ų17552.6 Ų52.682%0.81828%0.283SS*.THydrogen-bonded Turntrans-73.6-40.2-178.3-59.4-178.9169.100111.5N26N26-E28 VanDerWaalsContact C-N 3.25Å; N26-E28 PolarHBondContact O-N 3.01Å; N26-E28 WeakPolarHBondContact OD1-CB 3.38Å; N26-E28 PolarHBondContact OD1-N 2.96Å
29N84.8Confident86.4Confident100 Ų10055.9 Ų55.954%0.53530%0.296SS..THydrogen-bonded Turntrans-105.30.5-174.2-64.5-43.3000114.2N26 L31N26-N29 PolarHBondContact ND2-ND2 2.92Å; N26-N29 PolarHBondContact OD1-N 3.46Å; N26-N29 VanDerWaalsContact OD1-N 3.15Å; N29-L31 HydrophobicContact CB-CB 4.23Å; N29-L31 PolarHBondContact O-N 3.37Å; N29-L31 VanDerWaalsContact O-N 3.11Å
30S85.6Confident86.3Confident74 Ų7458.5 Ų58.552%0.51731%0.313SS..THydrogen-bonded Turntrans53.724.7-170.6-59.40000113.8N26 S45N26-S30 PolarHBondContact O-N 3.08Å; S30-S45 PolarHBondContact O-N 2.84Å
31L90.1Very high86.3Confident55 Ų5559.7 Ų59.729%0.28832%0.32SS..EExtended strand (participates in β ladder)trans-95.5137.1-179.7-167.676.5000109N26 N29 C43N26-L31 HydrophobicContact CB-CB 4.42Å; N26-L31 WeakPolarHBondContact CB-O 3.46Å; N26-L31 PolarHBondContact N-O 3.46Å; N26-L31 PolarHBondContact O-N 3.37Å; N29-L31 HydrophobicContact CB-CB 4.23Å; N29-L31 PolarHBondContact O-N 3.37Å; N29-L31 VanDerWaalsContact O-N 3.11Å; L31-C43 WeakPolarHBondContact CD1-O 3.46Å
32V92.3Very high86.5Confident2 Ų262.6 Ų62.61%0.01234%0.34CS..EExtended strand (participates in β ladder)trans-124.1130.5-178.9-173.80000108.5I22 E24 I25 V34 S42 C43 L48I22-V32 HydrophobicContact CB-CG1 4.17Å; I22-V32 HydrophobicContact CD1-CG1 4.16Å; I22-V32 HydrophobicContact CG1-CG1 3.9Å; I22-V32 HydrophobicContact CG2-CG1 3.46Å; I22-V32 VanDerWaalsContact CG2-CG1 3.46Å; E24-V32 WeakPolarHBondContact O-CA 3.29Å; E24-V32 WeakPolarHBondContact O-CG1 3.02Å; I25-V32 HydrophobicContact CG1-CG1 4.33Å; V32-V34 HydrophobicContact CB-CG1 4.44Å; V32-V34 HydrophobicContact CG1-CG1 3.8Å; V32-S42 WeakPolarHBondContact O-CA 3.46Å; V32-C43 PolarHBondContact N-O 3.12Å; V32-C43 PolarHBondContact O-N 3.45Å; V32-L48 HydrophobicContact CB-CD1 4.15Å; V32-L48 HydrophobicContact CG1-CD1 4.08Å; V32-L48 HydrophobicContact CG2-CD1 4.22Å
33T91.5Very high86.6Confident21 Ų2162.8 Ų62.813%0.12934%0.342CS..EExtended strand (participates in β ladder)trans-86.5124.1168.6-56.20000108E23 E24 T40E23-T33 HydrophobicContact CB-CG2 4.27Å; E23-T33 WeakPolarHBondContact CB-O 3.22Å; E23-T33 PolarHBondContact N-O 3.46Å; E24-T33 PolarHBondContact N-O 3.03Å; E24-T33 PolarHBondContact O-N 3.09Å; E24-T33 PolarHBondContact OE2-OG1 3.37Å; T33-T40 HydrophobicContact CG2-CG2 3.57Å
34V91.9Very high87Confident0 Ų067.4 Ų67.40%036%0.359CS..EExtended strand (participates in β ladder)trans-123.2138.2-177.6-62.20000110.4Y10 F20 I21 I22 V32 T40 T41 L48Y10-V34 HydrophobicContact CD1-CG2 4.44Å; F20-V34 HydrophobicContact CB-CB 3.85Å; F20-V34 HydrophobicContact CB-CG2 4.28Å; F20-V34 HydrophobicContact CD1-CB 3.9Å; F20-V34 HydrophobicContact CD1-CG2 3.63Å; F20-V34 HydrophobicContact CE1-CG2 4.13Å; F20-V34 HydrophobicContact CG-CB 4.15Å; F20-V34 HydrophobicContact CG-CG2 4.05Å; I21-V34 CarbonylContact O-C 3.54Å; I21-V34 VanDerWaalsContact O-CA 3.29Å; I21-V34 WeakPolarHBondContact O-CA 3.37Å; I22-V34 HydrophobicContact CG1-CG1 4.16Å; V32-V34 HydrophobicContact CB-CG1 4.44Å; V32-V34 HydrophobicContact CG1-CG1 3.8Å; V34-T40 WeakPolarHBondContact O-CA 3.24Å; V34-T41 HydrophobicContact CG2-CG2 3.71Å; V34-T41 PolarHBondContact N-O 2.72Å; V34-T41 PolarHBondContact O-N 3.26Å; V34-L48 HydrophobicContact CG1-CD1 4.3Å; V34-L48 HydrophobicContact CG1-CD2 4.01Å
35R88Confident87.2Confident63 Ų6363.7 Ų63.724%0.23835%0.346CS..EExtended strand (participates in β ladder)trans-120.3132.7178.1-178.7-177.6-55116.62.7112.4F20 I21 E23 Y39 T40 T93F20-R35 CarbonylContact C-O 3.55Å; F20-R35 VanDerWaalsContact CA-O 3.28Å; F20-R35 WeakPolarHBondContact CA-O 3.38Å; F20-R35 VanDerWaalsContact CD1-C 3.41Å; I21-R35 PolarHBondContact N-O 3.39Å; I21-R35 PolarHBondContact O-N 3.24Å; E23-R35 HydrophobicContact CG-CB 3.85Å; E23-R35 IonicContact OE1-CZ 3.86Å; E23-R35 IonicContact OE1-NE 2.55Å; E23-R35 IonicContact OE1-NH1 2.79Å; E23-R35 PolarHBondContact OE1-NH1 3.23Å; E23-R35 IonicContact OE1-NH2 3.38Å; E23-R35 PolarHBondContact OE1-NH2 3.39Å; E23-R35 WeakPolarHBondContact OE2-CB 3.44Å; E23-R35 IonicContact OE2-CZ 3.35Å; E23-R35 IonicContact OE2-NE 3.5Å; E23-R35 PolarHBondContact OE2-NE 3.19Å; E23-R35 IonicContact OE2-NH1 2.91Å; E23-R35 IonicContact OE2-NH2 3.84Å; E23-R35 PolarHBondContact OE2-NH2 3.3Å; R35-Y39 WeakPolarHBondContact CA-O 3.3Å; R35-T40 WeakPolarHBondContact CG-OG1 3.4Å; R35-T40 PolarHBondContact NE-OG1 3.41Å; R35-T93 VanDerWaalsContact NH2-CG2 3.28Å
36S86.6Confident87.4Confident4 Ų465.6 Ų65.63%0.02837%0.365CS..EExtended strand (participates in β ladder)trans-107.5178.9163.6175.60000109.6D18 L19 F20 S38 Y39 T68D18-S36 PolarHBondContact OD2-OG 3.14Å; L19-S36 WeakPolarHBondContact O-CB 3.4Å; L19-S36 PolarHBondContact O-OG 3.26Å; F20-S36 VanDerWaalsContact CD1-N 3.34Å; S36-S38 VanDerWaalsContact C-N 3.26Å; S36-S38 PolarHBondContact O-N 3.11Å; S36-Y39 PolarHBondContact N-O 3.27Å; S36-Y39 PolarHBondContact O-N 3.45Å; S36-T68 VanDerWaalsContact OG-CG2 3.24Å; S36-T68 WeakPolarHBondContact OG-CG2 3.29Å
37S77.7Confident87.8Confident41 Ų4166.3 Ų66.329%0.28737%0.368SS..THydrogen-bonded Turntrans-40.7-44.1-172.952.90000115.9S71S37-S71 WeakPolarHBondContact CA-OG 3.35Å
38S76.4Confident88.4Confident118 Ų11859.8 Ų59.883%0.82533%0.334SS*.THydrogen-bonded Turntrans-136.713.5177.268.20000114S36S36-S38 VanDerWaalsContact C-N 3.26Å; S36-S38 PolarHBondContact O-N 3.11Å
39Y82.8Confident88.9Confident70 Ų7053.9 Ų53.928%0.27531%0.308SS..EExtended strand (participates in β ladder)trans-136.3121.6-170.4178.3-108.1000110.7F20 R35 S36 T41F20-Y39 AromaticContact CE1-CD1 3.64Å; F20-Y39 HydrophobicContact CE1-CD1 3.64Å; F20-Y39 HydrophobicContact CE1-CE1 4.1Å; F20-Y39 AromaticContact CZ-CD1 3.77Å; F20-Y39 HydrophobicContact CZ-CD1 3.77Å; F20-Y39 HydrophobicContact CZ-CE1 4.07Å; R35-Y39 WeakPolarHBondContact CA-O 3.3Å; S36-Y39 PolarHBondContact N-O 3.27Å; S36-Y39 PolarHBondContact O-N 3.45Å; Y39-T41 HydrophobicContact CD1-CG2 4.41Å; Y39-T41 HydrophobicContact CE1-CG2 3.56Å; Y39-T41 WeakPolarHBondContact OH-CB 3.31Å; Y39-T41 PolarHBondContact OH-OG1 2.94Å
40T89.7Confident89.3Confident67 Ų6755.5 Ų55.541%0.41131%0.31SS..EExtended strand (participates in β ladder)trans-115.1134.5173.9-62.50000108.8T33 V34 R35T33-T40 HydrophobicContact CG2-CG2 3.57Å; V34-T40 WeakPolarHBondContact O-CA 3.24Å; R35-T40 WeakPolarHBondContact CG-OG1 3.4Å; R35-T40 PolarHBondContact NE-OG1 3.41Å
41T91.3Very high89.4Confident26 Ų2656.5 Ų56.516%0.1631%0.309CS..EExtended strand (participates in β ladder)trans-145.9161.8178.4-166.80000111.4Y10 F20 V34 Y39Y10-T41 HydrophobicContact CD1-CG2 4.16Å; Y10-T41 HydrophobicContact CE1-CG2 3.75Å; F20-T41 HydrophobicContact CE1-CG2 4.31Å; V34-T41 HydrophobicContact CG2-CG2 3.71Å; V34-T41 PolarHBondContact N-O 2.72Å; V34-T41 PolarHBondContact O-N 3.26Å; Y39-T41 HydrophobicContact CD1-CG2 4.41Å; Y39-T41 HydrophobicContact CE1-CG2 3.56Å; Y39-T41 WeakPolarHBondContact OH-CB 3.31Å; Y39-T41 PolarHBondContact OH-OG1 2.94Å
42S92.8Very high89.3Confident64 Ų6456.7 Ų56.745%0.44831%0.312SS..EExtended strand (participates in β ladder)trans-111.2130.7175.7-57.30000109.6V32V32-S42 WeakPolarHBondContact O-CA 3.46Å
43C91.8Very high89Confident5 Ų561.8 Ų61.83%0.03435%0.348CS..EExtended strand (participates in β ladder)trans-144.1167.3-177.459.10000111.2Y10 L31 V32 L48Y10-C43 HydrophobicContact CD2-CB 4.17Å; Y10-C43 HydrophobicContact CE1-CB 4.31Å; Y10-C43 HydrophobicContact CE2-CB 3.46Å; Y10-C43 VanDerWaalsContact CE2-CB 3.46Å; L31-C43 WeakPolarHBondContact CD1-O 3.46Å; V32-C43 PolarHBondContact N-O 3.12Å; V32-C43 PolarHBondContact O-N 3.45Å; C43-L48 VanDerWaalsContact SG-CD2 3.54Å
44Y93.1Very high88.8Confident138 Ų13868.1 Ų68.154%0.54138%0.376SS..EExtended strand (participates in β ladder)trans-75.6143.2176.3-68.8-73.1000110.7S46 D47Y44-S46 WeakPolarHBondContact CB-OG 3.23Å; Y44-S46 PolarHBondContact O-N 2.68Å; Y44-D47 WeakPolarHBondContact O-CB 3.34Å; Y44-D47 PolarHBondContact O-N 3.2Å
45S90.9Very high88.7Confident45 Ų4569.3 Ų69.332%0.31538%0.383SS..G310 helixtrans-52.6-27.7174.4175.70000113.7W2 S30 D47W2-S45 VanDerWaalsContact CD1-OG 3.28Å; W2-S45 PolarHBondContact NE1-O 3.07Å; S30-S45 PolarHBondContact O-N 2.84Å; S45-D47 VanDerWaalsContact C-N 3.34Å
46S91.1Very high88.6Confident98 Ų9868.4 Ų68.469%0.68538%0.384SS*.G310 helixtrans-71.3-2417652.70000114.5Y44 L48Y44-S46 WeakPolarHBondContact CB-OG 3.23Å; Y44-S46 PolarHBondContact O-N 2.68Å; S46-L48 VanDerWaalsContact C-N 3.3Å
47D92.5Very high88.7Confident78 Ų7873 Ų7342%0.41741%0.408SS..G310 helixtrans-86.4-10.6-177.3-55.3-24.6000111.5Y10 Y44 S45Y10-D47 HydrophobicContact CD2-CB 4.25Å; Y10-D47 HydrophobicContact CE2-CB 3.94Å; Y44-D47 WeakPolarHBondContact O-CB 3.34Å; Y44-D47 PolarHBondContact O-N 3.2Å; S45-D47 VanDerWaalsContact C-N 3.34Å
48L93.8Very high89.2Confident12 Ų1273.3 Ų73.36%0.06341%0.406CS..PPolyproline II helixtrans-80.9130.4178-59-177.1000111W2 C8 Y10 I22 V32 V34 C43 S46W2-L48 HydrophobicContact CD2-CD1 4.39Å; W2-L48 HydrophobicContact CG-CD1 4.42Å; W2-L48 HydrophobicContact CH2-CB 4.4Å; W2-L48 HydrophobicContact CZ2-CB 3.55Å; C8-L48 HydrophobicContact CB-CB 4.34Å; C8-L48 HydrophobicContact CB-CD2 4.45Å; Y10-L48 HydrophobicContact CD2-CD2 4.05Å; Y10-L48 HydrophobicContact CG-CD2 4.25Å; I22-L48 HydrophobicContact CD1-CD1 3.9Å; I22-L48 HydrophobicContact CG1-CD1 4.35Å; V32-L48 HydrophobicContact CB-CD1 4.15Å; V32-L48 HydrophobicContact CG1-CD1 4.08Å; V32-L48 HydrophobicContact CG2-CD1 4.22Å; V34-L48 HydrophobicContact CG1-CD1 4.3Å; V34-L48 HydrophobicContact CG1-CD2 4.01Å; C43-L48 VanDerWaalsContact SG-CD2 3.54Å; S46-L48 VanDerWaalsContact C-N 3.3Å
49L93.3Very high89.7Confident50 Ų5068.3 Ų68.326%0.26237%0.37SS..BIsolated β-bridgetrans-101.4140175.4-61.3178.6000110.3I9 Y17 L58I9-L49 HydrophobicContact CB-CB 3.98Å; I9-L49 HydrophobicContact CG2-CB 4.35Å; I9-L49 HydrophobicContact CG2-CD1 4.4Å; I9-L49 PolarHBondContact N-O 3.4Å; I9-L49 WeakPolarHBondContact O-CB 3.4Å; I9-L49 PolarHBondContact O-N 3.03Å; Y17-L49 HydrophobicContact CD1-CD1 4.24Å; Y17-L49 HydrophobicContact CE1-CD1 3.72Å; L49-L58 HydrophobicContact CD1-CD1 3.87Å
50K91.3Very high89.8Confident135 Ų13573.2 Ų73.259%0.58739%0.39SS*.PPolyproline II helixtrans-74152.7172.2-67.4-178-179.61790110.7W2 T52 N55W2-K50 HydrophobicContact CH2-CB 4.36Å; W2-K50 HydrophobicContact CH2-CG 3.68Å; W2-K50 HydrophobicContact CZ2-CG 4.01Å; W2-K50 HydrophobicContact CZ3-CG 4.41Å; K50-T52 HydrophobicContact CB-CG2 4.19Å; K50-T52 PolarHBondContact O-N 3.35Å; K50-N55 WeakPolarHBondContact O-CB 3.43Å; K50-N55 PolarHBondContact O-ND2 2.98Å
51I88.7Confident89.5Confident95 Ų9577.8 Ų77.849%0.48740%0.404SS..  trans-70.496.9169.4-55177.8000108V7 I9 L19 V56V7-I51 HydrophobicContact CB-CD1 3.79Å; V7-I51 HydrophobicContact CG1-CD1 3.71Å; I9-I51 HydrophobicContact CD1-CG1 4.48Å; I9-I51 HydrophobicContact CG1-CG1 4.49Å; L19-I51 HydrophobicContact CD2-CD1 4.3Å; I51-V56 HydrophobicContact CG2-CG2 3.99Å
52T87.5Confident89.1Confident58 Ų5876.8 Ų76.836%0.35640%0.398SS..  trans-123.3159.1171.764.10000108.1K50 E54 N55 V56K50-T52 HydrophobicContact CB-CG2 4.19Å; K50-T52 PolarHBondContact O-N 3.35Å; T52-E54 PolarHBondContact O-N 2.95Å; T52-N55 PolarHBondContact O-N 3.01Å; T52-N55 PolarHBondContact OG1-N 2.94Å; T52-N55 PolarHBondContact OG1-ND2 3.03Å; T52-N55 VanDerWaalsContact OG1-ND2 3.16Å; T52-V56 VanDerWaalsContact O-CG2 3.31Å; T52-V56 WeakPolarHBondContact O-CG2 3.34Å; T52-V56 PolarHBondContact O-N 3.5Å
53S85.7Confident88.7Confident109 Ų10980.8 Ų80.876%0.76241%0.414SS*.Hα-helixtrans-54.4-38.8178.8-52.90000112.6
54E87.6Confident88.3Confident154 Ų15486.1 Ų86.172%0.7244%0.438SS*.Hα-helixtrans-64.5-43.4176.5-177.3-178.6-177.400112.8T52 D57T52-E54 PolarHBondContact O-N 2.95Å; E54-D57 PolarHBondContact O-N 3.37Å
55N89.5Confident87.8Confident26 Ų2681.2 Ų81.214%0.13942%0.421CS..Hα-helixtrans-76.8-26.6-177.3-67.8-27.3000112.6I9 K50 T52 D57 L58I9-N55 HydrophobicContact CD1-CB 3.77Å; K50-N55 WeakPolarHBondContact O-CB 3.43Å; K50-N55 PolarHBondContact O-ND2 2.98Å; T52-N55 PolarHBondContact O-N 3.01Å; T52-N55 PolarHBondContact OG1-N 2.94Å; T52-N55 PolarHBondContact OG1-ND2 3.03Å; T52-N55 VanDerWaalsContact OG1-ND2 3.16Å; N55-D57 PolarHBondContact O-N 3.36Å; N55-L58 VanDerWaalsContact O-CB 3.29Å; N55-L58 WeakPolarHBondContact O-CB 3.49Å; N55-L58 PolarHBondContact O-N 3.45Å; N55-L58 VanDerWaalsContact O-N 3.11Å
56V86.9Confident87.2Confident44 Ų4483.7 Ų83.727%0.26743%0.434SS..Hα-helixtrans-60.8-32.8175.6169.20000111I51 T52 L58 L59I51-V56 HydrophobicContact CG2-CG2 3.99Å; T52-V56 VanDerWaalsContact O-CG2 3.31Å; T52-V56 WeakPolarHBondContact O-CG2 3.34Å; T52-V56 PolarHBondContact O-N 3.5Å; V56-L58 PolarHBondContact O-N 3.48Å; V56-L58 VanDerWaalsContact O-N 3.14Å; V56-L59 WeakPolarHBondContact O-CB 3.36Å; V56-L59 PolarHBondContact O-N 3.35Å
57D87.6Confident86.7Confident100 Ų10081.7 Ų81.754%0.53542%0.42SS..G310 helixtrans-60.4-26.2177.3-69.2-23.7000113E54 N55 L59 Y60E54-D57 PolarHBondContact O-N 3.37Å; N55-D57 PolarHBondContact O-N 3.36Å; D57-L59 VanDerWaalsContact C-N 3.28Å; D57-L59 PolarHBondContact O-N 2.63Å; D57-Y60 HydrophobicContact CB-CD2 4.43Å; D57-Y60 WeakPolarHBondContact OD1-CE2 3.4Å
58L88.9Confident86Confident47 Ų4778 Ų7825%0.24640%0.4CS..G310 helixtrans-69.6-27.2177.2-58.5174000112.5Y17 L49 N55 V56 Y60Y17-L58 HydrophobicContact CD1-CD1 4.29Å; Y17-L58 HydrophobicContact CD2-CB 3.86Å; Y17-L58 HydrophobicContact CD2-CD1 4.24Å; Y17-L58 HydrophobicContact CD2-CD2 4.47Å; Y17-L58 HydrophobicContact CD2-CG 4.43Å; Y17-L58 HydrophobicContact CE1-CD1 4.15Å; Y17-L58 HydrophobicContact CE2-CB 4.47Å; Y17-L58 HydrophobicContact CE2-CD1 4.13Å; Y17-L58 HydrophobicContact CE2-CD2 4.35Å; Y17-L58 HydrophobicContact CG-CB 3.95Å; Y17-L58 HydrophobicContact CG-CD1 4.31Å; L49-L58 HydrophobicContact CD1-CD1 3.87Å; N55-L58 VanDerWaalsContact O-CB 3.29Å; N55-L58 WeakPolarHBondContact O-CB 3.49Å; N55-L58 PolarHBondContact O-N 3.45Å; N55-L58 VanDerWaalsContact O-N 3.11Å; V56-L58 PolarHBondContact O-N 3.48Å; V56-L58 VanDerWaalsContact O-N 3.14Å; L58-Y60 VanDerWaalsContact C-N 3.34Å
59L87.6Confident85.4Confident13 Ų1381.8 Ų81.87%0.06842%0.42CS..G310 helixtrans-76-21-177-61.6174000112.7I9 L19 V56 D57 K61 N62 I65I9-L59 HydrophobicContact CD1-CD1 3.91Å; I9-L59 HydrophobicContact CD1-CG 4.24Å; I9-L59 HydrophobicContact CG1-CD1 4.13Å; I9-L59 HydrophobicContact CG1-CD2 4.25Å; I9-L59 HydrophobicContact CG1-CG 4.43Å; I9-L59 HydrophobicContact CG2-CD2 4Å; L19-L59 HydrophobicContact CD1-CD1 4.34Å; L19-L59 HydrophobicContact CD2-CD1 3.94Å; L19-L59 HydrophobicContact CG-CD1 3.92Å; L19-L59 HydrophobicContact CG-CD2 4.41Å; V56-L59 WeakPolarHBondContact O-CB 3.36Å; V56-L59 PolarHBondContact O-N 3.35Å; D57-L59 VanDerWaalsContact C-N 3.28Å; D57-L59 PolarHBondContact O-N 2.63Å; L59-K61 PolarHBondContact O-N 2.83Å; L59-N62 WeakPolarHBondContact O-CB 3.46Å; L59-N62 PolarHBondContact O-N 2.96Å; L59-I65 HydrophobicContact CB-CD1 4.08Å; L59-I65 HydrophobicContact CB-CG1 4.15Å; L59-I65 HydrophobicContact CD1-CD1 4.19Å; L59-I65 HydrophobicContact CD2-CD1 3.92Å; L59-I65 HydrophobicContact CG-CD1 4.29Å
60Y84.3Confident84.6Confident173 Ų17385.1 Ų85.168%0.67844%0.438SS*.G310 helixtrans-63.7-13.5178.4-66.8-54.7000114.1D57 L58 N62D57-Y60 HydrophobicContact CB-CD2 4.43Å; D57-Y60 WeakPolarHBondContact OD1-CE2 3.4Å; L58-Y60 VanDerWaalsContact C-N 3.34Å; Y60-N62 VanDerWaalsContact C-N 3.28Å
61K83.1Confident83.9Confident164 Ų16480.9 Ų80.971%0.71343%0.426SS*.G310 helixtrans-80.8-8.5173.7-64.1-179.3-178.7174.30113.2L59L59-K61 PolarHBondContact O-N 2.83Å
62N84Confident83.2Confident5 Ų576.7 Ų76.73%0.02740%0.404CS..  trans-101.8107.1-178.4-173.3-10.1000110.4V16 Y17 D18 L59 Y60 H64 I65V16-N62 HydrophobicContact CG1-CB 3.63Å; Y17-N62 PolarHBondContact O-ND2 2.87Å; D18-N62 PolarHBondContact OD1-ND2 3.39Å; D18-N62 PolarHBondContact OD2-ND2 3.09Å; L59-N62 WeakPolarHBondContact O-CB 3.46Å; L59-N62 PolarHBondContact O-N 2.96Å; Y60-N62 VanDerWaalsContact C-N 3.28Å; N62-H64 PolarHBondContact O-N 2.81Å; N62-H64 VanDerWaalsContact O-N 3.13Å; N62-H64 WeakPolarHBondContact OD1-CB 3.19Å; N62-H64 PolarHBondContact OD1-N 2.99Å; N62-I65 HydrophobicContact CB-CB 4.36Å; N62-I65 WeakPolarHBondContact O-CB 3.21Å; N62-I65 WeakPolarHBondContact O-CG2 3.49Å; N62-I65 PolarHBondContact O-N 2.78Å
63D83.9Confident82.6Confident147 Ų14777.9 Ų77.979%0.78641%0.409SS*.THydrogen-bonded Turntrans-64.2-16.7179.1-64.9-26.7000113.2
64H83.3Confident82Confident117 Ų11780.1 Ų80.154%0.54240%0.401SS..THydrogen-bonded Turntrans-98.34.4-178.8-58.6-66.7000113.7N62 T66 S67 T68N62-H64 PolarHBondContact O-N 2.81Å; N62-H64 VanDerWaalsContact O-N 3.13Å; N62-H64 WeakPolarHBondContact OD1-CB 3.19Å; N62-H64 PolarHBondContact OD1-N 2.99Å; H64-T66 PolarHBondContact O-N 3.04Å; H64-T66 VanDerWaalsContact O-N 3.14Å; H64-S67 PolarHBondContact O-N 3.49Å; H64-S67 VanDerWaalsContact O-N 3.08Å; H64-S67 PolarHBondContact O-OG 3.41Å; H64-T68 PolarHBondContact O-N 2.92Å; H64-T68 PolarHBondContact O-OG1 3.39Å
65I82.9Confident81.2Confident36 Ų3674 Ų7419%0.18538%0.376CS..Hα-helixtrans-58.3-33.4-171.7-166.860.7000113.8L19 L59 N62 T68 L69L19-I65 HydrophobicContact CB-CD1 4.38Å; L19-I65 HydrophobicContact CD1-CD1 3.8Å; L19-I65 HydrophobicContact CD1-CG1 4.49Å; L19-I65 HydrophobicContact CG-CD1 3.88Å; L59-I65 HydrophobicContact CB-CD1 4.08Å; L59-I65 HydrophobicContact CB-CG1 4.15Å; L59-I65 HydrophobicContact CD1-CD1 4.19Å; L59-I65 HydrophobicContact CD2-CD1 3.92Å; L59-I65 HydrophobicContact CG-CD1 4.29Å; N62-I65 HydrophobicContact CB-CB 4.36Å; N62-I65 WeakPolarHBondContact O-CB 3.21Å; N62-I65 WeakPolarHBondContact O-CG2 3.49Å; N62-I65 PolarHBondContact O-N 2.78Å; I65-T68 PolarHBondContact O-N 3.49Å; I65-L69 WeakPolarHBondContact O-CB 2.85Å; I65-L69 PolarHBondContact O-N 3.29Å
66T78.7Confident80.5Confident96 Ų9676.4 Ų76.459%0.58938%0.384SS*.Hα-helixtrans-64.3-47177.750.40000111.3H64 T68 L69 D70H64-T66 PolarHBondContact O-N 3.04Å; H64-T66 VanDerWaalsContact O-N 3.14Å; T66-T68 VanDerWaalsContact C-N 3.3Å; T66-T68 PolarHBondContact O-N 3.25Å; T66-L69 WeakPolarHBondContact O-CB 3.41Å; T66-L69 PolarHBondContact O-N 3.39Å; T66-D70 PolarHBondContact O-N 3.34Å
67S79.2Confident79.6Confident56 Ų5678.9 Ų78.939%0.39239%0.391SS..Hα-helixtrans-65.1-34.417666.70000112.6H64 S71H64-S67 PolarHBondContact O-N 3.49Å; H64-S67 VanDerWaalsContact O-N 3.08Å; H64-S67 PolarHBondContact O-OG 3.41Å; S67-S71 PolarHBondContact O-N 2.99Å
68T78.7Confident78.9Confident0 Ų075.7 Ų75.70%038%0.378CS..Hα-helixtrans-66.1-44.2172.9-55.50000110.9D18 L19 S36 H64 I65 T66 D70 S71 V72D18-T68 WeakPolarHBondContact OD1-CB 3.47Å; D18-T68 WeakPolarHBondContact OD1-CG2 3.49Å; D18-T68 PolarHBondContact OD1-OG1 2.99Å; D18-T68 VanDerWaalsContact OD1-OG1 3.12Å; L19-T68 HydrophobicContact CB-CG2 3.88Å; L19-T68 VanDerWaalsContact O-CG2 3.31Å; L19-T68 WeakPolarHBondContact O-CG2 3.45Å; S36-T68 VanDerWaalsContact OG-CG2 3.24Å; S36-T68 WeakPolarHBondContact OG-CG2 3.29Å; H64-T68 PolarHBondContact O-N 2.92Å; H64-T68 PolarHBondContact O-OG1 3.39Å; I65-T68 PolarHBondContact O-N 3.49Å; T66-T68 VanDerWaalsContact C-N 3.3Å; T66-T68 PolarHBondContact O-N 3.25Å; T68-D70 PolarHBondContact O-N 3.42Å; T68-S71 PolarHBondContact O-N 3.28Å; T68-V72 HydrophobicContact CG2-CG2 3.88Å; T68-V72 VanDerWaalsContact O-CB 3.31Å; T68-V72 WeakPolarHBondContact O-CB 3.42Å; T68-V72 VanDerWaalsContact O-CG2 3.24Å; T68-V72 WeakPolarHBondContact O-CG2 3.33Å; T68-V72 PolarHBondContact O-N 3.42Å
69L80.8Confident78.2Confident92 Ų9275.5 Ų75.548%0.48238%0.377SS..Hα-helixtrans-59.6-46.7180-175.663.6000111.3L19 I65 T66 S71 V72 D73L19-L69 HydrophobicContact CD1-CD1 3.97Å; I65-L69 WeakPolarHBondContact O-CB 2.85Å; I65-L69 PolarHBondContact O-N 3.29Å; T66-L69 WeakPolarHBondContact O-CB 3.41Å; T66-L69 PolarHBondContact O-N 3.39Å; L69-S71 VanDerWaalsContact C-N 3.29Å; L69-S71 PolarHBondContact O-N 3.48Å; L69-V72 PolarHBondContact O-N 3.32Å; L69-D73 WeakPolarHBondContact O-CB 3.43Å; L69-D73 PolarHBondContact O-N 3.11Å
70D75.9Confident77.5Confident120 Ų12078.1 Ų78.164%0.64239%0.388SS*.Hα-helixtrans-60.1-39.9178-65.6-21.9000111.8T66 T68T66-D70 PolarHBondContact O-N 3.34Å; T68-D70 PolarHBondContact O-N 3.42Å
71S76.2Confident76.7Confident47 Ų4774 Ų7433%0.32938%0.377SS..Hα-helixtrans-71.5-36.6177.2-176.90000113.2S37 S67 T68 L69 S75S37-S71 WeakPolarHBondContact CA-OG 3.35Å; S67-S71 PolarHBondContact O-N 2.99Å; T68-S71 PolarHBondContact O-N 3.28Å; L69-S71 VanDerWaalsContact C-N 3.29Å; L69-S71 PolarHBondContact O-N 3.48Å; S71-S75 PolarHBondContact O-OG 2.85Å
72V74Confident76Confident6 Ų667.9 Ų67.94%0.03635%0.353CS..Hα-helixtrans-72-38.8179.6162.80000110.1V7 L19 I21 T68 L69 Y74 S75 Y76V7-V72 HydrophobicContact CG1-CG1 3.76Å; V7-V72 HydrophobicContact CG2-CG1 4.01Å; L19-V72 HydrophobicContact CB-CG2 4.33Å; I21-V72 HydrophobicContact CD1-CB 4.04Å; I21-V72 HydrophobicContact CD1-CG1 3.66Å; I21-V72 HydrophobicContact CD1-CG2 4.22Å; I21-V72 WeakPolarHBondContact CD1-O 3.46Å; I21-V72 HydrophobicContact CG1-CG1 3.86Å; I21-V72 HydrophobicContact CG1-CG2 4.48Å; T68-V72 HydrophobicContact CG2-CG2 3.88Å; T68-V72 VanDerWaalsContact O-CB 3.31Å; T68-V72 WeakPolarHBondContact O-CB 3.42Å; T68-V72 VanDerWaalsContact O-CG2 3.24Å; T68-V72 WeakPolarHBondContact O-CG2 3.33Å; T68-V72 PolarHBondContact O-N 3.42Å; L69-V72 PolarHBondContact O-N 3.32Å; V72-Y74 PolarHBondContact O-N 3.44Å; V72-S75 WeakPolarHBondContact CA-OG 2.98Å; V72-S75 PolarHBondContact O-N 3.18Å; V72-S75 PolarHBondContact O-OG 3.44Å; V72-Y76 WeakPolarHBondContact O-CB 3.27Å; V72-Y76 PolarHBondContact O-N 3.41Å
73D75.7Confident75.4Confident84 Ų8471.3 Ų71.345%0.44938%0.377SS..Hα-helixtrans-56.9-50.9-178.2-157.833000111.3L69 S75 Y76 F77L69-D73 WeakPolarHBondContact O-CB 3.43Å; L69-D73 PolarHBondContact O-N 3.11Å; D73-S75 PolarHBondContact O-N 3.39Å; D73-Y76 PolarHBondContact O-N 3.04Å; D73-F77 VanDerWaalsContact CG-CE2 3.46Å; D73-F77 WeakPolarHBondContact O-CD2 3.44Å; D73-F77 PolarHBondContact O-N 3.47Å; D73-F77 VanDerWaalsContact O-N 3.16Å; D73-F77 WeakPolarHBondContact OD1-CE2 3.48Å
74Y73.1Confident74.6Confident155 Ų15570.5 Ų70.561%0.60837%0.372SS*.Hα-helixtrans-59.4-45.8177.1-178.6-93.3000113.1V72 F77 A78 I94V72-Y74 PolarHBondContact O-N 3.44Å; Y74-F77 PolarHBondContact O-N 3.19Å; Y74-A78 WeakPolarHBondContact O-CB 3.22Å; Y74-A78 PolarHBondContact O-N 3.35Å; Y74-I94 HydrophobicContact CD1-CD1 4.23Å; Y74-I94 HydrophobicContact CE1-CD1 3.57Å
75S71.3Confident74.3Confident27 Ų2768.5 Ų68.519%0.18937%0.365CS..Hα-helixtrans-73.7-32.8-175.443.30000112.5I21 S71 V72 D73 I79I21-S75 WeakPolarHBondContact CD1-OG 3.27Å; S71-S75 PolarHBondContact O-OG 2.85Å; V72-S75 WeakPolarHBondContact CA-OG 2.98Å; V72-S75 PolarHBondContact O-N 3.18Å; V72-S75 PolarHBondContact O-OG 3.44Å; D73-S75 PolarHBondContact O-N 3.39Å; S75-I79 WeakPolarHBondContact O-CB 3.49Å; S75-I79 WeakPolarHBondContact O-CD1 3.32Å; S75-I79 VanDerWaalsContact O-CG1 3.26Å; S75-I79 WeakPolarHBondContact O-CG1 3.07Å; S75-I79 PolarHBondContact O-N 3.29Å
76Y74.5Confident73.5Confident76 Ų7673.9 Ų73.930%0.29839%0.394SS..Hα-helixtrans-58.5-52.9170.3173.9-98.7000110.8G5 V7 V72 D73 A78 I79 K80G5-Y76 WeakPolarHBondContact O-CD2 3.26Å; V7-Y76 HydrophobicContact CG2-CD2 3.51Å; V7-Y76 HydrophobicContact CG2-CE2 4.17Å; V7-Y76 HydrophobicContact CG2-CG 4.11Å; V72-Y76 WeakPolarHBondContact O-CB 3.27Å; V72-Y76 PolarHBondContact O-N 3.41Å; D73-Y76 PolarHBondContact O-N 3.04Å; Y76-A78 PolarHBondContact O-N 3.1Å; Y76-I79 PolarHBondContact O-N 3.36Å; Y76-K80 WeakPolarHBondContact O-CB 3.23Å; Y76-K80 PolarHBondContact O-N 2.87Å
77F68.9Low72.6Confident95 Ų9573.3 Ų73.342%0.41739%0.387SS..Hα-helixtrans-61.2-47.2-179.7-71.3-59.9000112D73 Y74 I79 K80 L81 F286D73-F77 VanDerWaalsContact CG-CE2 3.46Å; D73-F77 WeakPolarHBondContact O-CD2 3.44Å; D73-F77 PolarHBondContact O-N 3.47Å; D73-F77 VanDerWaalsContact O-N 3.16Å; D73-F77 WeakPolarHBondContact OD1-CE2 3.48Å; Y74-F77 PolarHBondContact O-N 3.19Å; F77-I79 PolarHBondContact O-N 2.81Å; F77-K80 PolarHBondContact O-N 3.22Å; F77-L81 WeakPolarHBondContact O-CB 3.01Å; F77-L81 PolarHBondContact O-N 2.88Å; F77-F286 HydrophobicContact CE1-CZ 4.38Å
78A71.9Confident71.4Confident33 Ų3375.3 Ų75.327%0.27340%0.398SS..Hα-helixtrans-59-45.9-179.700000111.8Y74 Y76 N82Y74-A78 WeakPolarHBondContact O-CB 3.22Å; Y74-A78 PolarHBondContact O-N 3.35Å; Y76-A78 PolarHBondContact O-N 3.1Å; A78-N82 VanDerWaalsContact O-CB 3.26Å; A78-N82 WeakPolarHBondContact O-CB 3.38Å; A78-N82 PolarHBondContact O-N 3.25Å; A78-N82 PolarHBondContact O-ND2 2.65Å; A78-N82 VanDerWaalsContact O-ND2 3.11Å
79I73.4Confident70.1Confident44 Ų4480.3 Ų80.323%0.22643%0.431CS..Hα-helixtrans-70.8-45.8-178.4-65.1164.2000111.1G5 I21 S75 Y76 F77 L81 N82 S83G5-I79 VanDerWaalsContact CA-CG2 3.44Å; I21-I79 HydrophobicContact CG2-CD1 3.71Å; S75-I79 WeakPolarHBondContact O-CB 3.49Å; S75-I79 WeakPolarHBondContact O-CD1 3.32Å; S75-I79 VanDerWaalsContact O-CG1 3.26Å; S75-I79 WeakPolarHBondContact O-CG1 3.07Å; S75-I79 PolarHBondContact O-N 3.29Å; Y76-I79 PolarHBondContact O-N 3.36Å; F77-I79 PolarHBondContact O-N 2.81Å; I79-L81 VanDerWaalsContact C-N 3.31Å; I79-L81 PolarHBondContact O-N 2.96Å; I79-N82 PolarHBondContact O-N 3.12Å; I79-S83 WeakPolarHBondContact O-CB 2.86Å; I79-S83 PolarHBondContact O-N 3.03Å
80K73.6Confident68.5Low68 Ų6879.5 Ų79.530%0.29643%0.433SS..Hα-helixtrans-64-39.8-178.7-151.775.8177.4-176.20111.3D6 Y76 F77 S83 L84D6-K80 IonicContact OD1-NZ 2.66Å; D6-K80 PolarHBondContact OD1-NZ 2.82Å; Y76-K80 WeakPolarHBondContact O-CB 3.23Å; Y76-K80 PolarHBondContact O-N 2.87Å; F77-K80 PolarHBondContact O-N 3.22Å; K80-S83 PolarHBondContact O-N 3.22Å; K80-L84 WeakPolarHBondContact O-CB 3.39Å; K80-L84 WeakPolarHBondContact O-CD1 3.16Å; K80-L84 WeakPolarHBondContact O-CG 3.24Å; K80-L84 PolarHBondContact O-N 2.97Å
81L68.2Low66.7Low85 Ų8579.8 Ų79.845%0.44544%0.439SS..Hα-helixtrans-67.1-48.3176.6-166.6165.6000111.1F77 I79 S83 L84 L85F77-L81 WeakPolarHBondContact O-CB 3.01Å; F77-L81 PolarHBondContact O-N 2.88Å; I79-L81 VanDerWaalsContact C-N 3.31Å; I79-L81 PolarHBondContact O-N 2.96Å; L81-S83 VanDerWaalsContact C-N 3.27Å; L81-S83 PolarHBondContact O-N 3.31Å; L81-L84 WeakPolarHBondContact O-CB 3.4Å; L81-L84 PolarHBondContact O-N 3.08Å; L81-L84 VanDerWaalsContact O-N 3.07Å; L81-L85 HydrophobicContact CD2-CD1 3.34Å; L81-L85 HydrophobicContact CD2-CG 3.91Å; L81-L85 PolarHBondContact O-N 2.92Å
82N68.1Low64.8Low37 Ų3784.1 Ų84.120%0.19846%0.459CS..Hα-helixtrans-58.8-40.6176.4-74.2-23.3000111.8A78 I79 L84 L85 N86 L87A78-N82 VanDerWaalsContact O-CB 3.26Å; A78-N82 WeakPolarHBondContact O-CB 3.38Å; A78-N82 PolarHBondContact O-N 3.25Å; A78-N82 PolarHBondContact O-ND2 2.65Å; A78-N82 VanDerWaalsContact O-ND2 3.11Å; I79-N82 PolarHBondContact O-N 3.12Å; N82-L84 PolarHBondContact O-N 2.8Å; N82-L85 PolarHBondContact O-N 3.23Å; N82-N86 PolarHBondContact O-N 2.97Å; N82-N86 VanDerWaalsContact O-N 3.15Å; N82-L87 PolarHBondContact O-N 3.32Å; N82-L87 VanDerWaalsContact O-N 3.15Å
83S70.2Confident63Low76 Ų7686.6 Ų86.653%0.53147%0.474SS..Hα-helixtrans-64.4-36.4175.2-176.40000112.8I79 K80 L81I79-S83 WeakPolarHBondContact O-CB 2.86Å; I79-S83 PolarHBondContact O-N 3.03Å; K80-S83 PolarHBondContact O-N 3.22Å; L81-S83 VanDerWaalsContact C-N 3.27Å; L81-S83 PolarHBondContact O-N 3.31Å
84L69.1Low61.2Low131 Ų13187.7 Ų87.769%0.68648%0.479SS*.Hα-helixtrans-70.4-38.1176.9-87.7156.3000112.2K80 L81 N82 N86K80-L84 WeakPolarHBondContact O-CB 3.39Å; K80-L84 WeakPolarHBondContact O-CD1 3.16Å; K80-L84 WeakPolarHBondContact O-CG 3.24Å; K80-L84 PolarHBondContact O-N 2.97Å; L81-L84 WeakPolarHBondContact O-CB 3.4Å; L81-L84 PolarHBondContact O-N 3.08Å; L81-L84 VanDerWaalsContact O-N 3.07Å; N82-L84 PolarHBondContact O-N 2.8Å; L84-N86 VanDerWaalsContact C-N 3.29Å; L84-N86 PolarHBondContact O-N 2.86Å
85L75.5Confident59.3Low74 Ų7485.1 Ų85.139%0.38747%0.474SS..THydrogen-bonded Turntrans-84-1-179.1-67-173.8000113.6L81 N82 L87L81-L85 HydrophobicContact CD2-CD1 3.34Å; L81-L85 HydrophobicContact CD2-CG 3.91Å; L81-L85 PolarHBondContact O-N 2.92Å; N82-L85 PolarHBondContact O-N 3.23Å; L85-L87 HydrophobicContact CB-CD1 3.52Å; L85-L87 HydrophobicContact CB-CG 3.97Å; L85-L87 HydrophobicContact CD1-CD1 3.52Å; L85-L87 HydrophobicContact CG-CD1 4.16Å; L85-L87 PolarHBondContact O-N 3.36Å
86N66.6Low57.7Low149 Ų14991 Ų9180%0.79750%0.503SS*.THydrogen-bonded Turntrans50.426.8-170.6-58.6-54.7000113.1N82 L84N82-N86 PolarHBondContact O-N 2.97Å; N82-N86 VanDerWaalsContact O-N 3.15Å; L84-N86 VanDerWaalsContact C-N 3.29Å; L84-N86 PolarHBondContact O-N 2.86Å
87L60.8Low55.6Low85 Ų8594.6 Ų94.645%0.44552%0.52SS..  trans-70.3142.8174.4-81152.1000108N82 L85N82-L87 PolarHBondContact O-N 3.32Å; N82-L87 VanDerWaalsContact O-N 3.15Å; L85-L87 HydrophobicContact CB-CD1 3.52Å; L85-L87 HydrophobicContact CB-CG 3.97Å; L85-L87 HydrophobicContact CD1-CD1 3.52Å; L85-L87 HydrophobicContact CG-CD1 4.16Å; L85-L87 PolarHBondContact O-N 3.36Å
88P53.8Low54Low97 Ų9796.5 Ų96.563%0.6354%0.54SS*.  trans-54135.4169.223.9-31.3000107.7S90P88-S90 PolarHBondContact O-N 2.78Å
89P51.2Low51.9Low106 Ų106102.8 Ų102.869%0.68856%0.563SS**  trans-55108.5175.922-30.8000106.2T91P89-T91 PolarHBondContact O-N 2.69Å
90S46.4Very low50.3Low74 Ų74111.1 Ų111.152%0.51760%0.598SS.*  trans-61.3111.1177.6-68.50000105P88 N92P88-S90 PolarHBondContact O-N 2.78Å; S90-N92 PolarHBondContact O-N 3.36Å
91T37.6Very low48.2Very low126 Ų126116.2 Ų116.277%0.77362%0.623SS**  trans-67.829.617539.90000112.1P89 T93P89-T91 PolarHBondContact O-N 2.69Å; T91-T93 PolarHBondContact O-N 2.84Å
92N37Very low46.4Very low139 Ų139121.6 Ų121.674%0.74364%0.643SS**  trans-81.155.5158-63.8-13.3000107.8S90 I94S90-N92 PolarHBondContact O-N 3.36Å; N92-I94 VanDerWaalsContact C-N 3.33Å; N92-I94 PolarHBondContact O-N 3.27Å
93T35.6Very low44.9Very low57 Ų57126.6 Ų126.635%0.3567%0.669SS.*  trans-55.6107154.8-60.30000104.9R35 T91 I95R35-T93 VanDerWaalsContact NH2-CG2 3.28Å; T91-T93 PolarHBondContact O-N 2.84Å; T93-I95 HydrophobicContact CG2-CG1 3.67Å; T93-I95 PolarHBondContact O-N 2.86Å
94I38Very low43.6Very low108 Ų108128.5 Ų128.555%0.55468%0.68SS**  trans-66.177.5168-57.8169.9000105.5Y74 N92 L96Y74-I94 HydrophobicContact CD1-CD1 4.23Å; Y74-I94 HydrophobicContact CE1-CD1 3.57Å; N92-I94 VanDerWaalsContact C-N 3.33Å; N92-I94 PolarHBondContact O-N 3.27Å; I94-L96 HydrophobicContact CG2-CG 4.36Å; I94-L96 PolarHBondContact O-N 2.83Å
95I33.8Very low42.7Very low101 Ų101127 Ų12752%0.51868%0.676SS.*  trans-69109.7154.7-49.9-178.5000102.8T93 K97T93-I95 HydrophobicContact CG2-CG1 3.67Å; T93-I95 PolarHBondContact O-N 2.86Å; I95-K97 HydrophobicContact CB-CD 4.4Å; I95-K97 HydrophobicContact CB-CG 4.47Å; I95-K97 HydrophobicContact CG2-CB 4.03Å; I95-K97 HydrophobicContact CG2-CD 3.59Å; I95-K97 HydrophobicContact CG2-CG 3.5Å; I95-K97 PolarHBondContact O-N 3.3Å
96L36.9Very low42.3Very low150 Ų150127 Ų12779%0.78567%0.674SS**  trans-61.373.8160-74.8166.2000107.8I94I94-L96 HydrophobicContact CG2-CG 4.36Å; I94-L96 PolarHBondContact O-N 2.83Å
97K30.4Very low43Very low151 Ų151125.7 Ų125.766%0.65767%0.666SS**  trans-101.392.3167-95.4170.6-172.6175.50106I95 E99I95-K97 HydrophobicContact CB-CD 4.4Å; I95-K97 HydrophobicContact CB-CG 4.47Å; I95-K97 HydrophobicContact CG2-CB 4.03Å; I95-K97 HydrophobicContact CG2-CD 3.59Å; I95-K97 HydrophobicContact CG2-CG 3.5Å; I95-K97 PolarHBondContact O-N 3.3Å; K97-E99 PolarHBondContact O-N 2.76Å
98T35.3Very low44.4Very low136 Ų136121.9 Ų121.983%0.83465%0.646SS**  trans-45.299.6143.6-49.60000107.3
99E29.3Very low46Very low165 Ų165121.7 Ų121.777%0.77164%0.64SS**SBendtrans164.697.7153.3-93.4168.1-166.200109.2K97 Q101K97-E99 PolarHBondContact O-N 2.76Å; E99-Q101 VanDerWaalsContact C-N 3.34Å; E99-Q101 PolarHBondContact O-N 3.48Å
100K39.2Very low47.8Very low218 Ų218121.3 Ų121.395%0.94863%0.632SS**  trans15.965.9153.2-63.8179.6177.7176.70115.9
101Q28.9Very low49.9Very low176 Ų176119 Ų11982%0.82262%0.619SS**  trans-94.4119.7152.7-67.3-159.122.200106.2E99 N103E99-Q101 VanDerWaalsContact C-N 3.34Å; E99-Q101 PolarHBondContact O-N 3.48Å; Q101-N103 PolarHBondContact O-N 3.25Å
102K30.2Very low52.5Low198 Ų198115.6 Ų115.686%0.86160%0.596SS**  trans-48.6118.4175.6-66.8178.2176.2-177.20106.9
103N36.4Very low55.2Low141 Ų141110.4 Ų110.475%0.75457%0.569SS**  trans-42.4140.7167.2-109.6-34.4000107.9Q101 V105Q101-N103 PolarHBondContact O-N 3.25Å; N103-V105 PolarHBondContact O-N 3.09Å
104P43.8Very low58Low116 Ų116107.7 Ų107.775%0.75355%0.552SS**  trans-50.1117.616923.4-31.6000105.8Q106P104-Q106 PolarHBondContact O-N 3.24Å
105V51.1Low60.8Low101 Ų101102.6 Ų102.661%0.61253%0.526SS*.  trans-55.3107.3-173.3176.50000105.8N103 L107N103-V105 PolarHBondContact O-N 3.09Å; V105-L107 HydrophobicContact CG1-CD1 4.42Å; V105-L107 WeakPolarHBondContact O-CD1 3.48Å; V105-L107 PolarHBondContact O-N 2.95Å
106Q65.5Low63.8Low72 Ų7297.8 Ų97.834%0.33650%0.501SS..  trans-68.5109.1177.5-171.6168.4-11.300105.4P104 W108 N159P104-Q106 PolarHBondContact O-N 3.24Å; Q106-W108 VanDerWaalsContact CD-CZ2 3.47Å; Q106-W108 HydrophobicContact CG-CD2 4.41Å; Q106-W108 HydrophobicContact CG-CZ2 4.12Å; Q106-W108 VanDerWaalsContact O-CD1 3.25Å; Q106-W108 PolarHBondContact O-N 3.34Å; Q106-N159 PolarHBondContact NE2-ND2 3.34Å
107L81.4Confident66.6Low122 Ų12292.3 Ų92.364%0.63947%0.474SS*.PPolyproline II helixtrans-71.3120172.6-93.874.8000107.3V105V105-L107 HydrophobicContact CG1-CD1 4.42Å; V105-L107 WeakPolarHBondContact O-CD1 3.48Å; V105-L107 PolarHBondContact O-N 2.95Å
108W90.1Very high69.8Low5 Ų587.9 Ų87.92%0.01945%0.453CS..PPolyproline II helixtrans-102.6124178.4-70.8109.6000109.3Q106 D112 C114 I129 T132 Y134 F139 L157 Y158Q106-W108 VanDerWaalsContact CD-CZ2 3.47Å; Q106-W108 HydrophobicContact CG-CD2 4.41Å; Q106-W108 HydrophobicContact CG-CZ2 4.12Å; Q106-W108 VanDerWaalsContact O-CD1 3.25Å; Q106-W108 PolarHBondContact O-N 3.34Å; W108-D112 HydrophobicContact CE3-CB 4.13Å; W108-C114 HydrophobicContact CE3-CB 4.36Å; W108-C114 HydrophobicContact CH2-CB 3.61Å; W108-C114 HydrophobicContact CZ2-CB 4.37Å; W108-C114 HydrophobicContact CZ3-CB 3.61Å; W108-I129 HydrophobicContact CB-CD1 3.54Å; W108-I129 HydrophobicContact CD2-CD1 3.57Å; W108-I129 HydrophobicContact CE3-CD1 3.34Å; W108-I129 HydrophobicContact CG-CD1 3.69Å; W108-I129 HydrophobicContact CZ3-CD1 4.17Å; W108-T132 WeakPolarHBondContact O-CG2 3.4Å; W108-Y134 PolarHBondContact N-OH 2.84Å; W108-Y134 PolarHBondContact O-OH 3.47Å; W108-F139 HydrophobicContact CB-CD1 4.12Å; W108-F139 HydrophobicContact CB-CE1 3.79Å; W108-F139 HydrophobicContact CG-CE1 4.31Å; W108-L157 HydrophobicContact CD2-CD1 4.23Å; W108-L157 HydrophobicContact CG-CD1 4.15Å; W108-L157 HydrophobicContact CH2-CB 4.35Å; W108-L157 HydrophobicContact CZ2-CB 3.55Å; W108-Y158 WeakPolarHBondContact CH2-O 3.49Å
109N87.8Confident72.6Confident94 Ų9485.1 Ų85.150%0.50344%0.439SS..PPolyproline II helixtrans-97.5156176.6-61.5-48.7000111.1G111 D112N109-G111 PolarHBondContact O-N 2.81Å; N109-D112 PolarHBondContact N-OD2 3.49Å; N109-D112 WeakPolarHBondContact O-CB 3.49Å; N109-D112 PolarHBondContact O-N 3.34Å; N109-D112 VanDerWaalsContact O-N 3.09Å
110N89.6Confident75.7Confident98 Ų9884.6 Ų84.652%0.52444%0.437SS..THydrogen-bonded Turntrans-59.9125.7169.4-61.9-15.4000108.8L130 T131 T132N110-L130 PolarHBondContact OD1-O 3.12Å; N110-T131 VanDerWaalsContact OD1-CA 3.32Å; N110-T131 WeakPolarHBondContact OD1-CA 3.49Å; N110-T132 WeakPolarHBondContact OD1-CG2 3.45Å; N110-T132 PolarHBondContact OD1-N 3.26Å; N110-T132 VanDerWaalsContact OD1-N 3.14Å; N110-T132 PolarHBondContact OD1-OG1 3.14Å
111G90Very high78.3Confident24 Ų2477.4 Ų77.425%0.24741%0.409CS..THydrogen-bonded Turntrans102.4-15.8-17700000114.6N109 I129N109-G111 PolarHBondContact O-N 2.81Å; G111-I129 PolarHBondContact N-O 2.93Å
112D91.5Very high81.4Confident55 Ų5576.6 Ų76.629%0.29441%0.405SS..  trans-63.5145.3178.4-72.1-8.9000111.1W108 N109 K128 I129W108-D112 HydrophobicContact CE3-CB 4.13Å; N109-D112 PolarHBondContact N-OD2 3.49Å; N109-D112 WeakPolarHBondContact O-CB 3.49Å; N109-D112 PolarHBondContact O-N 3.34Å; N109-D112 VanDerWaalsContact O-N 3.09Å; D112-K128 WeakPolarHBondContact O-CA 3.41Å; D112-I129 HydrophobicContact CB-CD1 4.25Å; D112-I129 PolarHBondContact O-N 3.25Å
113I94.5Very high84.4Confident31 Ų3168.7 Ų68.716%0.15938%0.376CS..EExtended strand (participates in β ladder)trans-93.5133.7172.3-53.4-58.8000108.7Y126 A127 K128 I160 V180I113-Y126 HydrophobicContact CG2-CD1 3.91Å; I113-A127 WeakPolarHBondContact CA-O 3.32Å; I113-K128 HydrophobicContact CD1-CB 3.77Å; I113-K128 HydrophobicContact CD1-CD 4.47Å; I113-K128 HydrophobicContact CD1-CG 3.98Å; I113-I160 HydrophobicContact CB-CG2 3.97Å; I113-I160 HydrophobicContact CG2-CG2 3.62Å; I113-I160 WeakPolarHBondContact O-CG2 3.18Å; I113-V180 HydrophobicContact CD1-CG1 4.21Å
114C95Very high87.3Confident0 Ų064.6 Ų64.60%035%0.351CS..EExtended strand (participates in β ladder)trans-130.5165.5177.763.70000110.1W108 Y126 A127 I129 L157 Y158W108-C114 HydrophobicContact CE3-CB 4.36Å; W108-C114 HydrophobicContact CH2-CB 3.61Å; W108-C114 HydrophobicContact CZ2-CB 4.37Å; W108-C114 HydrophobicContact CZ3-CB 3.61Å; C114-Y126 CarbonylContact O-C 3.58Å; C114-Y126 WeakPolarHBondContact O-CA 3.42Å; C114-A127 PolarHBondContact N-O 3.27Å; C114-A127 PolarHBondContact O-N 3.48Å; C114-A127 PolarHBondContact SG-O 3.18Å; C114-I129 HydrophobicContact CB-CD1 4.44Å; C114-L157 HydrophobicContact CB-CB 4.45Å; C114-L157 HydrophobicContact CB-CD2 4.47Å; C114-Y158 CarbonylContact C-O 3.59Å; C114-Y158 WeakPolarHBondContact CA-O 2.91Å
115I96.3Very high89.8Confident0 Ų060.5 Ų60.50%032%0.321CS..EExtended strand (participates in β ladder)trans-108.1129.5168.1-61.1171.5000106.9Y124 Y125 Y126 Y158 F164 E165 V168I115-Y124 HydrophobicContact CG2-CD1 3.87Å; I115-Y124 HydrophobicContact CG2-CG 4.48Å; I115-Y125 WeakPolarHBondContact CA-O 3.25Å; I115-Y126 HydrophobicContact CD1-CD1 4.44Å; I115-Y126 HydrophobicContact CD1-CE1 3.77Å; I115-Y126 HydrophobicContact CG1-CD1 3.72Å; I115-Y126 HydrophobicContact CG1-CE1 3.56Å; I115-Y158 PolarHBondContact N-O 3.39Å; I115-Y158 WeakPolarHBondContact O-CD2 3.2Å; I115-Y158 PolarHBondContact O-N 3.04Å; I115-F164 HydrophobicContact CD1-CB 4.41Å; I115-F164 HydrophobicContact CG2-CB 4Å; I115-E165 HydrophobicContact CD1-CB 4.06Å; I115-V168 HydrophobicContact CD1-CG2 4.37Å; I115-V168 HydrophobicContact CG1-CG2 4.41Å; I115-V168 HydrophobicContact CG2-CG2 3.88Å
116C96Very high92Very high0 Ų056.5 Ų56.50%030%0.295CS..EExtended strand (participates in β ladder)trans-151.3165.6173.764.10000110.3Y125 K152 D156 L157C116-Y125 PolarHBondContact N-O 3.34Å; C116-Y125 VanDerWaalsContact N-O 3.08Å; C116-Y125 PolarHBondContact O-N 3.25Å; C116-K152 HydrophobicContact CB-CG 4.49Å; C116-D156 WeakPolarHBondContact CB-O 3.41Å; C116-L157 HydrophobicContact CB-CD2 3.97Å
117T97.1Very high93.5Very high36 Ų3653 Ų5322%0.22128%0.279CS..EExtended strand (participates in β ladder)trans-79.7144.9176.853.80000111A123 Y124 K152T117-A123 CarbonylContact C-O 3.51Å; T117-A123 WeakPolarHBondContact CA-O 3.35Å; T117-Y124 HydrophobicContact CG2-CD1 3.85Å; T117-Y124 HydrophobicContact CG2-CD2 4.17Å; T117-Y124 HydrophobicContact CG2-CE1 3.65Å; T117-Y124 HydrophobicContact CG2-CE2 3.97Å; T117-Y124 HydrophobicContact CG2-CG 4.13Å; T117-K152 WeakPolarHBondContact O-CE 3.47Å; T117-K152 PolarHBondContact O-NZ 2.91Å
118W96.6Very high94.2Very high58 Ų5851.1 Ų51.122%0.2227%0.265CS..  trans-84.6134.9165.5-178.240.1000109.5E120 D121 E122 A123 Y125 F143W118-E120 HydrophobicContact CD2-CB 3.88Å; W118-E120 HydrophobicContact CE3-CB 4.03Å; W118-E120 HydrophobicContact CH2-CB 3.65Å; W118-E120 HydrophobicContact CH2-CG 3.98Å; W118-E120 WeakPolarHBondContact CH2-OE2 3.36Å; W118-E120 HydrophobicContact CZ2-CB 3.5Å; W118-E120 HydrophobicContact CZ2-CG 4.15Å; W118-E120 WeakPolarHBondContact CZ2-OE2 3.32Å; W118-E120 HydrophobicContact CZ3-CB 3.92Å; W118-E120 HydrophobicContact CZ3-CG 4.4Å; W118-E120 PolarHBondContact O-N 2.85Å; W118-D121 HydrophobicContact CE3-CB 4.22Å; W118-D121 VanDerWaalsContact CE3-CG 3.49Å; W118-D121 HydrophobicContact CZ3-CB 4.47Å; W118-E122 VanDerWaalsContact O-CA 3.24Å; W118-E122 WeakPolarHBondContact O-CA 3.28Å; W118-E122 PolarHBondContact O-N 2.87Å; W118-A123 PolarHBondContact N-O 2.8Å; W118-Y125 HydrophobicContact CB-CD2 3.87Å; W118-Y125 HydrophobicContact CB-CE2 3.94Å; W118-Y125 HydrophobicContact CE3-CE2 4.41Å; W118-F143 HydrophobicContact CB-CE1 4.13Å; W118-F143 HydrophobicContact CB-CE2 4.22Å; W118-F143 HydrophobicContact CB-CZ 3.82Å; W118-F143 AromaticContact CD1-CE2 3.63Å; W118-F143 HydrophobicContact CG-CE2 4.19Å; W118-F143 HydrophobicContact CG-CZ 4.28Å
119S93.8Very high94.4Very high78 Ų7850.9 Ų50.955%0.54526%0.264SS..THydrogen-bonded Turntrans-68.1-18.3-173.844.40000115.1E150S119-E150 WeakPolarHBondContact CB-OE1 3.15Å; S119-E150 PolarHBondContact N-OE2 2.85Å; S119-E150 VanDerWaalsContact N-OE2 3.12Å; S119-E150 PolarHBondContact OG-OE1 2.96Å; S119-E150 PolarHBondContact OG-OE2 3.22Å
120E94.2Very high94.7Very high153 Ų15349.8 Ų49.872%0.71526%0.258SS*.THydrogen-bonded Turntrans-79.3-38-177.8-168.9169.5161.700112.8W118W118-E120 HydrophobicContact CD2-CB 3.88Å; W118-E120 HydrophobicContact CE3-CB 4.03Å; W118-E120 HydrophobicContact CH2-CB 3.65Å; W118-E120 HydrophobicContact CH2-CG 3.98Å; W118-E120 WeakPolarHBondContact CH2-OE2 3.36Å; W118-E120 HydrophobicContact CZ2-CB 3.5Å; W118-E120 HydrophobicContact CZ2-CG 4.15Å; W118-E120 WeakPolarHBondContact CZ2-OE2 3.32Å; W118-E120 HydrophobicContact CZ3-CB 3.92Å; W118-E120 HydrophobicContact CZ3-CG 4.4Å; W118-E120 PolarHBondContact O-N 2.85Å
121D94.3Very high94.8Very high68 Ų6848.6 Ų48.636%0.36425%0.254SS..THydrogen-bonded Turntrans-117.9-5-17769.8-2.2000114.5W118 A123 Y125W118-D121 HydrophobicContact CE3-CB 4.22Å; W118-D121 VanDerWaalsContact CE3-CG 3.49Å; W118-D121 HydrophobicContact CZ3-CB 4.47Å; D121-A123 PolarHBondContact O-N 3.42Å; D121-A123 VanDerWaalsContact O-N 3.1Å; D121-A123 WeakPolarHBondContact OD1-CB 3.21Å; D121-A123 PolarHBondContact OD1-N 3.49Å; D121-Y125 WeakPolarHBondContact OD2-CE2 3.33Å; D121-Y125 PolarHBondContact OD2-OH 3.26Å
122E93.5Very high94.9Very high159 Ų15949.4 Ų49.474%0.74326%0.255SS*.  trans5815.4-175.9-56-178.5168.600114.1W118W118-E122 VanDerWaalsContact O-CA 3.24Å; W118-E122 WeakPolarHBondContact O-CA 3.28Å; W118-E122 PolarHBondContact O-N 2.87Å
123A94.1Very high94.8Very high31 Ų3149.6 Ų49.626%0.25626%0.255SS..  trans-89.2153.3179.800000111.7T117 W118 D121 Y125T117-A123 CarbonylContact C-O 3.51Å; T117-A123 WeakPolarHBondContact CA-O 3.35Å; W118-A123 PolarHBondContact N-O 2.8Å; D121-A123 PolarHBondContact O-N 3.42Å; D121-A123 VanDerWaalsContact O-N 3.1Å; D121-A123 WeakPolarHBondContact OD1-CB 3.21Å; D121-A123 PolarHBondContact OD1-N 3.49Å; A123-Y125 HydrophobicContact CB-CE2 3.73Å; A123-Y125 WeakPolarHBondContact O-CD2 3.5Å; A123-Y125 WeakPolarHBondContact O-CE2 3.28Å
124Y97Very high94.5Very high56 Ų5652.9 Ų52.922%0.2227%0.266CS..EExtended strand (participates in β ladder)trans-84.7131.7-177.9-71.5-88.4000112I115 T117 Y158 F164 Y167 V168I115-Y124 HydrophobicContact CG2-CD1 3.87Å; I115-Y124 HydrophobicContact CG2-CG 4.48Å; T117-Y124 HydrophobicContact CG2-CD1 3.85Å; T117-Y124 HydrophobicContact CG2-CD2 4.17Å; T117-Y124 HydrophobicContact CG2-CE1 3.65Å; T117-Y124 HydrophobicContact CG2-CE2 3.97Å; T117-Y124 HydrophobicContact CG2-CG 4.13Å; Y124-Y158 HydrophobicContact CE1-CD2 4.08Å; Y124-Y158 AromaticContact CE1-CE2 3.81Å; Y124-Y158 HydrophobicContact CE1-CE2 3.81Å; Y124-F164 HydrophobicContact CD1-CD1 4.13Å; Y124-F164 AromaticContact CE1-CD1 3.44Å; Y124-F164 HydrophobicContact CE1-CD1 3.44Å; Y124-F164 VanDerWaalsContact CE1-CD1 3.44Å; Y124-F164 AromaticContact CE1-CE1 3.97Å; Y124-F164 HydrophobicContact CE1-CE1 3.97Å; Y124-F164 HydrophobicContact CE1-CG 4.34Å; Y124-F164 HydrophobicContact CE2-CD1 4.47Å; Y124-F164 AromaticContact CZ-CD1 3.65Å; Y124-F164 AromaticContact CZ-CE1 3.88Å; Y124-F164 WeakPolarHBondContact OH-CE1 3.38Å; Y124-Y167 HydrophobicContact CD2-CG 4.25Å; Y124-Y167 HydrophobicContact CE2-CD2 4.43Å; Y124-Y167 HydrophobicContact CE2-CG 4.45Å; Y124-V168 WeakPolarHBondContact O-CA 3.26Å
125Y97.2Very high94Very high30 Ų3061.3 Ų61.312%0.11831%0.306CS..EExtended strand (participates in β ladder)trans-137.5155.2177.8-63.5-86.1000110.7I115 C116 W118 D121 A123 F143 Y146 D170 N173I115-Y125 WeakPolarHBondContact CA-O 3.25Å; C116-Y125 PolarHBondContact N-O 3.34Å; C116-Y125 VanDerWaalsContact N-O 3.08Å; C116-Y125 PolarHBondContact O-N 3.25Å; W118-Y125 HydrophobicContact CB-CD2 3.87Å; W118-Y125 HydrophobicContact CB-CE2 3.94Å; W118-Y125 HydrophobicContact CE3-CE2 4.41Å; D121-Y125 WeakPolarHBondContact OD2-CE2 3.33Å; D121-Y125 PolarHBondContact OD2-OH 3.26Å; A123-Y125 HydrophobicContact CB-CE2 3.73Å; A123-Y125 WeakPolarHBondContact O-CD2 3.5Å; A123-Y125 WeakPolarHBondContact O-CE2 3.28Å; Y125-F143 HydrophobicContact CD2-CD1 4.5Å; Y125-F143 HydrophobicContact CD2-CE1 4.46Å; Y125-F143 HydrophobicContact CG-CD1 4.29Å; Y125-Y146 HydrophobicContact CD1-CE2 4.41Å; Y125-Y146 HydrophobicContact CE1-CE2 4.17Å; Y125-D170 HydrophobicContact CD1-CB 4.12Å; Y125-D170 HydrophobicContact CE1-CB 3.8Å; Y125-N173 HydrophobicContact CD1-CB 4.13Å
126Y96.8Very high93.7Very high16 Ų1666.5 Ų66.56%0.06333%0.334CS..EExtended strand (participates in β ladder)trans-72.5135.1164.1-68.7-81.1000110.3I113 C114 I115 C144 I160 E165 V168 N173 K174 A177I113-Y126 HydrophobicContact CG2-CD1 3.91Å; C114-Y126 CarbonylContact O-C 3.58Å; C114-Y126 WeakPolarHBondContact O-CA 3.42Å; I115-Y126 HydrophobicContact CD1-CD1 4.44Å; I115-Y126 HydrophobicContact CD1-CE1 3.77Å; I115-Y126 HydrophobicContact CG1-CD1 3.72Å; I115-Y126 HydrophobicContact CG1-CE1 3.56Å; Y126-C144 PolarHBondContact O-N 3.37Å; Y126-I160 HydrophobicContact CD1-CG2 3.9Å; Y126-I160 HydrophobicContact CE1-CB 3.99Å; Y126-I160 HydrophobicContact CE1-CG2 3.74Å; Y126-E165 VanDerWaalsContact OH-CG 3.27Å; Y126-E165 WeakPolarHBondContact OH-CG 3.43Å; Y126-E165 PolarHBondContact OH-OE1 2.91Å; Y126-V168 HydrophobicContact CD2-CB 4.41Å; Y126-V168 HydrophobicContact CD2-CG1 3.79Å; Y126-V168 HydrophobicContact CD2-CG2 4.22Å; Y126-V168 HydrophobicContact CE2-CB 3.98Å; Y126-V168 HydrophobicContact CE2-CG1 3.76Å; Y126-V168 HydrophobicContact CE2-CG2 3.9Å; Y126-N173 WeakPolarHBondContact CD2-OD1 3.36Å; Y126-N173 PolarHBondContact N-OD1 3.05Å; Y126-N173 PolarHBondContact O-ND2 2.65Å; Y126-K174 HydrophobicContact CD2-CG 4.16Å; Y126-K174 HydrophobicContact CE2-CG 3.75Å; Y126-A177 VanDerWaalsContact CB-CB 3.5Å; Y126-A177 HydrophobicContact CD1-CB 4.18Å; Y126-A177 HydrophobicContact CD2-CB 4.09Å; Y126-A177 HydrophobicContact CG-CB 3.66Å
127A96.6Very high93.4Very high0 Ų069.3 Ų69.30%035%0.349CS..EExtended strand (participates in β ladder)trans-137.1147.8175.800000111I113 C114 V141 S142 F143I113-A127 WeakPolarHBondContact CA-O 3.32Å; C114-A127 PolarHBondContact N-O 3.27Å; C114-A127 PolarHBondContact O-N 3.48Å; C114-A127 PolarHBondContact SG-O 3.18Å; A127-V141 HydrophobicContact CB-CB 3.89Å; A127-V141 HydrophobicContact CB-CG2 4.03Å; A127-S142 CarbonylContact C-O 3.48Å; A127-S142 VanDerWaalsContact CA-O 3.23Å; A127-S142 WeakPolarHBondContact CA-O 3.42Å; A127-F143 HydrophobicContact CB-CD1 3.88Å; A127-F143 HydrophobicContact CB-CE1 4.17Å; A127-F143 HydrophobicContact CB-CG 4.34Å
128K96Very high93.2Very high81 Ų8170.3 Ų70.335%0.35235%0.352SS..EExtended strand (participates in β ladder)trans-95.3128.6174.2-176.3175.3-178.3178.20109.8D112 I113 L130 V141 S142D112-K128 WeakPolarHBondContact O-CA 3.41Å; I113-K128 HydrophobicContact CD1-CB 3.77Å; I113-K128 HydrophobicContact CD1-CD 4.47Å; I113-K128 HydrophobicContact CD1-CG 3.98Å; K128-L130 PolarHBondContact O-N 3.45Å; K128-V141 CarbonylContact O-C 3.58Å; K128-V141 WeakPolarHBondContact O-CA 2.94Å; K128-S142 PolarHBondContact N-O 3.46Å; K128-S142 PolarHBondContact O-N 3.23Å
129I95.5Very high93.1Very high0 Ų067.7 Ų67.70%034%0.342CS..EExtended strand (participates in β ladder)trans-71.3119.2175.2-59.3-176.1000108.4W108 G111 D112 C114 T132 V141 L157W108-I129 HydrophobicContact CB-CD1 3.54Å; W108-I129 HydrophobicContact CD2-CD1 3.57Å; W108-I129 HydrophobicContact CE3-CD1 3.34Å; W108-I129 HydrophobicContact CG-CD1 3.69Å; W108-I129 HydrophobicContact CZ3-CD1 4.17Å; G111-I129 PolarHBondContact N-O 2.93Å; D112-I129 HydrophobicContact CB-CD1 4.25Å; D112-I129 PolarHBondContact O-N 3.25Å; C114-I129 HydrophobicContact CB-CD1 4.44Å; I129-T132 HydrophobicContact CG2-CG2 3.66Å; I129-V141 HydrophobicContact CG1-CG1 4.15Å; I129-L157 HydrophobicContact CD1-CD1 4Å
130L92.6Very high93.2Very high72 Ų7265.3 Ų65.338%0.37732%0.324SS..EExtended strand (participates in β ladder)trans-88.2-51177.9-62.4-175.3000111N110 K128 T140 V149N110-L130 PolarHBondContact OD1-O 3.12Å; K128-L130 PolarHBondContact O-N 3.45Å; L130-T140 HydrophobicContact CB-CG2 4.44Å; L130-T140 WeakPolarHBondContact CB-O 3.04Å; L130-T140 HydrophobicContact CD1-CG2 4.35Å; L130-T140 PolarHBondContact N-O 3.02Å; L130-V149 HydrophobicContact CD1-CG1 4.32Å; L130-V149 HydrophobicContact CD1-CG2 4.02Å
131T92.4Very high93.4Very high73 Ų7358 Ų5845%0.44829%0.29SS..EExtended strand (participates in β ladder)trans-142.4140.9-178.263.10000111.4N110 T140N110-T131 VanDerWaalsContact OD1-CA 3.32Å; N110-T131 WeakPolarHBondContact OD1-CA 3.49Å; T131-T140 PolarHBondContact N-O 2.9Å; T131-T140 PolarHBondContact O-N 2.83Å; T131-T140 VanDerWaalsContact OG1-CB 3.29Å; T131-T140 WeakPolarHBondContact OG1-CB 3.49Å; T131-T140 PolarHBondContact OG1-OG1 3.04Å
132T92.8Very high93.5Very high41 Ų4155.7 Ų55.725%0.25228%0.28SS..EExtended strand (participates in β ladder)trans-112.1119.1179.460.50000110.5W108 N110 I129 Y134 F139W108-T132 WeakPolarHBondContact O-CG2 3.4Å; N110-T132 WeakPolarHBondContact OD1-CG2 3.45Å; N110-T132 PolarHBondContact OD1-N 3.26Å; N110-T132 VanDerWaalsContact OD1-N 3.14Å; N110-T132 PolarHBondContact OD1-OG1 3.14Å; I129-T132 HydrophobicContact CG2-CG2 3.66Å; T132-Y134 HydrophobicContact CG2-CE2 4.37Å; T132-F139 HydrophobicContact CG2-CD1 3.77Å; T132-F139 HydrophobicContact CG2-CE1 3.86Å
133D87.8Confident93.6Very high58 Ų5848.4 Ų48.431%0.3125%0.245SC..EExtended strand (participates in β ladder)trans-112.595166.6-177.3-6.6000109.4E135 N136 D137 I138D133-E135 VanDerWaalsContact C-N 3.33Å; D133-E135 PolarHBondContact OD1-N 3.42Å; D133-E135 VanDerWaalsContact OD1-N 3.12Å; D133-N136 PolarHBondContact OD1-N 2.7Å; D133-N136 PolarHBondContact OD2-ND2 2.74Å; D133-D137 PolarHBondContact O-N 2.69Å; D133-D137 VanDerWaalsContact O-N 3.12Å; D133-I138 WeakPolarHBondContact CA-O 3.47Å; D133-I138 HydrophobicContact CB-CB 4.33Å; D133-I138 WeakPolarHBondContact CB-O 3Å; D133-I138 PolarHBondContact N-O 2.85Å; D133-I138 PolarHBondContact O-N 2.94Å
134Y88.2Confident93.7Very high100 Ų10047.4 Ų47.439%0.39224%0.237SC..THydrogen-bonded Turntrans-71.3-26-178.3-73.6-81000113.8W108 T132 F139W108-Y134 PolarHBondContact N-OH 2.84Å; W108-Y134 PolarHBondContact O-OH 3.47Å; T132-Y134 HydrophobicContact CG2-CE2 4.37Å; Y134-F139 HydrophobicContact CD1-CE1 4.47Å; Y134-F139 HydrophobicContact CD1-CZ 4.01Å; Y134-F139 HydrophobicContact CE1-CE1 4.08Å; Y134-F139 AromaticContact CE1-CZ 3.92Å; Y134-F139 HydrophobicContact CE1-CZ 3.92Å
135E86.2Confident93.5Very high178 Ų17849.7 Ų49.783%0.83225%0.248SC*.THydrogen-bonded Turntrans-71-38.3-178.4-64.7-65150.700110.6D133D133-E135 VanDerWaalsContact C-N 3.33Å; D133-E135 PolarHBondContact OD1-N 3.42Å; D133-E135 VanDerWaalsContact OD1-N 3.12Å
136N88.7Confident93.4Very high109 Ų10952.6 Ų52.658%0.58326%0.259SS*.THydrogen-bonded Turntrans-98.2-1.3-179.9-63.1-62.8000114.1D133 I138D133-N136 PolarHBondContact OD1-N 2.7Å; D133-N136 PolarHBondContact OD2-ND2 2.74Å; N136-I138 VanDerWaalsContact C-N 3.32Å; N136-I138 HydrophobicContact CB-CD1 3.73Å; N136-I138 HydrophobicContact CB-CG1 3.92Å
137D90.4Very high93.1Very high59 Ų5959.2 Ų59.232%0.31629%0.291SS..THydrogen-bonded Turntrans56.743.7-172.8-168.825.3000112D133 S153 S154D133-D137 PolarHBondContact O-N 2.69Å; D133-D137 VanDerWaalsContact O-N 3.12Å; D137-S153 WeakPolarHBondContact O-CA 3.39Å; D137-S154 WeakPolarHBondContact OD1-CB 3.34Å; D137-S154 PolarHBondContact OD1-N 2.93Å
138I92.7Very high93Very high57 Ų5762.6 Ų62.629%0.29231%0.309SS..EExtended strand (participates in β ladder)trans-119.1117.5-177.7-59.9174.4000109.7D133 N136 Q151D133-I138 WeakPolarHBondContact CA-O 3.47Å; D133-I138 HydrophobicContact CB-CB 4.33Å; D133-I138 WeakPolarHBondContact CB-O 3Å; D133-I138 PolarHBondContact N-O 2.85Å; D133-I138 PolarHBondContact O-N 2.94Å; N136-I138 VanDerWaalsContact C-N 3.32Å; N136-I138 HydrophobicContact CB-CD1 3.73Å; N136-I138 HydrophobicContact CB-CG1 3.92Å; I138-Q151 HydrophobicContact CG2-CB 4.06Å; I138-Q151 HydrophobicContact CG2-CG 3.89Å
139F94.8Very high93Very high2 Ų263 Ų631%0.00932%0.318CS..EExtended strand (participates in β ladder)trans-114.3118.5175.2-62-94.6000108.3W108 T132 Y134 Q151 K152 L157W108-F139 HydrophobicContact CB-CD1 4.12Å; W108-F139 HydrophobicContact CB-CE1 3.79Å; W108-F139 HydrophobicContact CG-CE1 4.31Å; T132-F139 HydrophobicContact CG2-CD1 3.77Å; T132-F139 HydrophobicContact CG2-CE1 3.86Å; Y134-F139 HydrophobicContact CD1-CE1 4.47Å; Y134-F139 HydrophobicContact CD1-CZ 4.01Å; Y134-F139 HydrophobicContact CE1-CE1 4.08Å; Y134-F139 AromaticContact CE1-CZ 3.92Å; Y134-F139 HydrophobicContact CE1-CZ 3.92Å; F139-Q151 CarbonylContact O-C 3.52Å; F139-Q151 WeakPolarHBondContact O-CA 3.49Å; F139-K152 PolarHBondContact N-O 2.84Å; F139-K152 PolarHBondContact O-N 3.35Å; F139-L157 HydrophobicContact CB-CD1 3.77Å; F139-L157 HydrophobicContact CD1-CD1 4.03Å; F139-L157 HydrophobicContact CD2-CD1 4.09Å; F139-L157 HydrophobicContact CG-CD1 3.67Å
140T96.3Very high93.1Very high28 Ų2864.6 Ų64.617%0.17233%0.325CS..EExtended strand (participates in β ladder)trans-86.5118.2173.4-590000108L130 T131 V149 E150L130-T140 HydrophobicContact CB-CG2 4.44Å; L130-T140 WeakPolarHBondContact CB-O 3.04Å; L130-T140 HydrophobicContact CD1-CG2 4.35Å; L130-T140 PolarHBondContact N-O 3.02Å; T131-T140 PolarHBondContact N-O 2.9Å; T131-T140 PolarHBondContact O-N 2.83Å; T131-T140 VanDerWaalsContact OG1-CB 3.29Å; T131-T140 WeakPolarHBondContact OG1-CB 3.49Å; T131-T140 PolarHBondContact OG1-OG1 3.04Å; T140-V149 HydrophobicContact CG2-CG1 3.28Å; T140-E150 WeakPolarHBondContact CA-O 3.49Å
141V96.9Very high93.3Very high0 Ų067.2 Ų67.20%034%0.336CS..EExtended strand (participates in β ladder)trans-115.8148.8-177.7-55.40000110.5A127 K128 I129 F143 V149 E150 K152 L157A127-V141 HydrophobicContact CB-CB 3.89Å; A127-V141 HydrophobicContact CB-CG2 4.03Å; K128-V141 CarbonylContact O-C 3.58Å; K128-V141 WeakPolarHBondContact O-CA 2.94Å; I129-V141 HydrophobicContact CG1-CG1 4.15Å; V141-F143 HydrophobicContact CG2-CE2 4.45Å; V141-V149 CarbonylContact O-C 3.58Å; V141-V149 VanDerWaalsContact O-CA 3.24Å; V141-V149 WeakPolarHBondContact O-CA 3.47Å; V141-E150 PolarHBondContact N-O 3.45Å; V141-E150 PolarHBondContact O-N 3.34Å; V141-K152 HydrophobicContact CG2-CG 4.03Å; V141-L157 HydrophobicContact CG1-CD2 4.04Å
142S96.6Very high93.4Very high20 Ų2064.7 Ų64.714%0.1432%0.318CS..EExtended strand (participates in β ladder)trans-116.2119.8172.4-178.90000109.9A127 K128 C144 E147 N148A127-S142 CarbonylContact C-O 3.48Å; A127-S142 VanDerWaalsContact CA-O 3.23Å; A127-S142 WeakPolarHBondContact CA-O 3.42Å; K128-S142 PolarHBondContact N-O 3.46Å; K128-S142 PolarHBondContact O-N 3.23Å; S142-C144 PolarHBondContact O-N 3.13Å; S142-E147 PolarHBondContact OG-O 3.23Å; S142-N148 CarbonylContact C-O 3.55Å; S142-N148 VanDerWaalsContact CA-O 3.3Å; S142-N148 WeakPolarHBondContact CA-O 3.26Å
143F97Very high93.4Very high5 Ų564.1 Ų64.12%0.02232%0.316CS..EExtended strand (participates in β ladder)trans-67.3125.4-179-71-78.8000110.8W118 Y125 A127 V141 Y146 E147 N148 E150W118-F143 HydrophobicContact CB-CE1 4.13Å; W118-F143 HydrophobicContact CB-CE2 4.22Å; W118-F143 HydrophobicContact CB-CZ 3.82Å; W118-F143 AromaticContact CD1-CE2 3.63Å; W118-F143 HydrophobicContact CG-CE2 4.19Å; W118-F143 HydrophobicContact CG-CZ 4.28Å; Y125-F143 HydrophobicContact CD2-CD1 4.5Å; Y125-F143 HydrophobicContact CD2-CE1 4.46Å; Y125-F143 HydrophobicContact CG-CD1 4.29Å; A127-F143 HydrophobicContact CB-CD1 3.88Å; A127-F143 HydrophobicContact CB-CE1 4.17Å; A127-F143 HydrophobicContact CB-CG 4.34Å; V141-F143 HydrophobicContact CG2-CE2 4.45Å; F143-Y146 PolarHBondContact O-N 2.82Å; F143-E147 WeakPolarHBondContact O-CA 3.09Å; F143-E147 PolarHBondContact O-N 3.12Å; F143-N148 HydrophobicContact CD2-CB 4.19Å; F143-N148 WeakPolarHBondContact CD2-O 3.47Å; F143-N148 PolarHBondContact N-O 3.05Å; F143-E150 HydrophobicContact CE2-CB 3.92Å
144C94.5Very high93.6Very high11 Ų1162.9 Ų62.97%0.07431%0.312CS..THydrogen-bonded Turntrans-58.9146.7-178.7-59.40000110.3Y126 S142 Y146 N173 A177Y126-C144 PolarHBondContact O-N 3.37Å; S142-C144 PolarHBondContact O-N 3.13Å; C144-Y146 PolarHBondContact O-N 2.81Å; C144-N173 PolarHBondContact O-ND2 3.06Å; C144-A177 HydrophobicContact CB-CB 4.16Å
145F94.1Very high93.7Very high104 Ų10465.9 Ų65.946%0.45633%0.327SS..THydrogen-bonded Turntrans68.1-42.8-172.5-173.1-104000116M172 S176F145-M172 HydrophobicContact CD1-CB 3.71Å; F145-M172 HydrophobicContact CD2-CB 4.01Å; F145-M172 HydrophobicContact CE1-CB 3.7Å; F145-M172 HydrophobicContact CE1-CE 4.17Å; F145-M172 HydrophobicContact CE1-CG 4.25Å; F145-M172 HydrophobicContact CE1-SD 3.65Å; F145-M172 HydrophobicContact CE2-CB 4Å; F145-M172 HydrophobicContact CE2-CG 4.42Å; F145-M172 HydrophobicContact CE2-SD 4.22Å; F145-M172 HydrophobicContact CG-CB 3.87Å; F145-M172 HydrophobicContact CZ-CB 3.85Å; F145-M172 HydrophobicContact CZ-CE 4.49Å; F145-M172 HydrophobicContact CZ-CG 4.09Å; F145-M172 HydrophobicContact CZ-SD 3.41Å; F145-M172 WeakPolarHBondContact CZ-SD 3.24Å; F145-S176 PolarHBondContact N-OG 3.16Å; F145-S176 VanDerWaalsContact N-OG 3.09Å
146Y93.8Very high94Very high91 Ų9160.4 Ų60.436%0.35730%0.304SS..THydrogen-bonded Turntrans-86.3-26.3-176.7-65.5-72.4000113.7Y125 F143 C144 N148 D170 N173Y125-Y146 HydrophobicContact CD1-CE2 4.41Å; Y125-Y146 HydrophobicContact CE1-CE2 4.17Å; F143-Y146 PolarHBondContact O-N 2.82Å; C144-Y146 PolarHBondContact O-N 2.81Å; Y146-N148 PolarHBondContact O-N 3.42Å; Y146-N148 PolarHBondContact O-OD1 2.77Å; Y146-D170 WeakPolarHBondContact CE2-OD2 3.41Å; Y146-D170 PolarHBondContact OH-OD2 3.14Å; Y146-N173 HydrophobicContact CE2-CB 4.42Å
147E91.1Very high94.3Very high155 Ų15555.6 Ų55.672%0.72428%0.278SS*.  trans61.74.3-176.4-55.3-175.916500114.8S142 F143 V149S142-E147 PolarHBondContact OG-O 3.23Å; F143-E147 WeakPolarHBondContact O-CA 3.09Å; F143-E147 PolarHBondContact O-N 3.12Å; E147-V149 PolarHBondContact O-N 2.88Å
148N94.2Very high94.4Very high71 Ų7155.8 Ų55.838%0.3828%0.275SS..  trans-56.2135.8171.9-68.41.9000110.1S142 F143 Y146S142-N148 CarbonylContact C-O 3.55Å; S142-N148 VanDerWaalsContact CA-O 3.3Å; S142-N148 WeakPolarHBondContact CA-O 3.26Å; F143-N148 HydrophobicContact CD2-CB 4.19Å; F143-N148 WeakPolarHBondContact CD2-O 3.47Å; F143-N148 PolarHBondContact N-O 3.05Å; Y146-N148 PolarHBondContact O-N 3.42Å; Y146-N148 PolarHBondContact O-OD1 2.77Å
149V96.5Very high94.3Very high89 Ų8956.1 Ų56.154%0.53928%0.277SS..EExtended strand (participates in β ladder)trans-110.8133.1-177.3178.80000110.5L130 T140 V141 E147L130-V149 HydrophobicContact CD1-CG1 4.32Å; L130-V149 HydrophobicContact CD1-CG2 4.02Å; T140-V149 HydrophobicContact CG2-CG1 3.28Å; V141-V149 CarbonylContact O-C 3.58Å; V141-V149 VanDerWaalsContact O-CA 3.24Å; V141-V149 WeakPolarHBondContact O-CA 3.47Å; E147-V149 PolarHBondContact O-N 2.88Å
150E96.9Very high94Very high33 Ų3357.9 Ų57.915%0.15429%0.286CS..EExtended strand (participates in β ladder)trans-140.8152.7178.3-160.8-178.2161.400111.6S119 T140 V141 F143 K152S119-E150 WeakPolarHBondContact CB-OE1 3.15Å; S119-E150 PolarHBondContact N-OE2 2.85Å; S119-E150 VanDerWaalsContact N-OE2 3.12Å; S119-E150 PolarHBondContact OG-OE1 2.96Å; S119-E150 PolarHBondContact OG-OE2 3.22Å; T140-E150 WeakPolarHBondContact CA-O 3.49Å; V141-E150 PolarHBondContact N-O 3.45Å; V141-E150 PolarHBondContact O-N 3.34Å; F143-E150 HydrophobicContact CE2-CB 3.92Å; E150-K152 WeakPolarHBondContact OE1-CE 3.38Å; E150-K152 IonicContact OE1-NZ 3.23Å; E150-K152 PolarHBondContact OE1-NZ 3.38Å; E150-K152 WeakPolarHBondContact OE2-CE 3.48Å; E150-K152 IonicContact OE2-NZ 2.62Å; E150-K152 PolarHBondContact OE2-NZ 3.4Å
151Q96.7Very high93.3Very high128 Ų12861.8 Ų61.860%0.59831%0.306SS*.EExtended strand (participates in β ladder)trans-92.1128.2170.8-68.9178.522.800110I138 F139I138-Q151 HydrophobicContact CG2-CB 4.06Å; I138-Q151 HydrophobicContact CG2-CG 3.89Å; F139-Q151 CarbonylContact O-C 3.52Å; F139-Q151 WeakPolarHBondContact O-CA 3.49Å
152K95.6Very high92.7Very high19 Ų1963.3 Ų63.38%0.08332%0.316CS..EExtended strand (participates in β ladder)trans-124.9154.7177.4-65.3-58.8-172.7-175.30111C116 T117 F139 V141 E150 L157C116-K152 HydrophobicContact CB-CG 4.49Å; T117-K152 WeakPolarHBondContact O-CE 3.47Å; T117-K152 PolarHBondContact O-NZ 2.91Å; F139-K152 PolarHBondContact N-O 2.84Å; F139-K152 PolarHBondContact O-N 3.35Å; V141-K152 HydrophobicContact CG2-CG 4.03Å; E150-K152 WeakPolarHBondContact OE1-CE 3.38Å; E150-K152 IonicContact OE1-NZ 3.23Å; E150-K152 PolarHBondContact OE1-NZ 3.38Å; E150-K152 WeakPolarHBondContact OE2-CE 3.48Å; E150-K152 IonicContact OE2-NZ 2.62Å; E150-K152 PolarHBondContact OE2-NZ 3.4Å; K152-L157 HydrophobicContact CB-CD2 3.81Å; K152-L157 HydrophobicContact CB-CG 4.5Å; K152-L157 HydrophobicContact CG-CD2 4.32Å
153S92.5Very high92.1Very high29 Ų2969.2 Ų69.220%0.20334%0.342CS..  trans-85.6158170.379.30000110.7D137 K155 D156D137-S153 WeakPolarHBondContact O-CA 3.39Å; S153-K155 PolarHBondContact O-N 3.49Å; S153-D156 PolarHBondContact N-OD2 3.12Å; S153-D156 PolarHBondContact O-N 3.43Å; S153-D156 PolarHBondContact OG-OD2 3.18Å
154S91.5Very high91.8Very high32 Ų3270.4 Ų70.422%0.22435%0.347CS..G310 helixtrans-54.4-28.4177.2-179.90000113D137 D156D137-S154 WeakPolarHBondContact OD1-CB 3.34Å; D137-S154 PolarHBondContact OD1-N 2.93Å; S154-D156 VanDerWaalsContact C-N 3.31Å; S154-D156 PolarHBondContact O-N 3.38Å
155K90.8Very high91.5Very high164 Ų16474 Ų7471%0.71336%0.362SS*.G310 helixtrans-73.9-21.3-178.6-63.3172-172.3154.10113.8S153S153-K155 PolarHBondContact O-N 3.49Å
156D92.9Very high91.3Very high63 Ų6374.7 Ų74.734%0.33738%0.375SS..G310 helixtrans-96.5-1.6-177.3-51.5-47.4000111.9C116 S153 S154C116-D156 WeakPolarHBondContact CB-O 3.41Å; S153-D156 PolarHBondContact N-OD2 3.12Å; S153-D156 PolarHBondContact O-N 3.43Å; S153-D156 PolarHBondContact OG-OD2 3.18Å; S154-D156 VanDerWaalsContact C-N 3.31Å; S154-D156 PolarHBondContact O-N 3.38Å
157L94Very high91.2Very high8 Ų876.5 Ų76.54%0.04238%0.382CS..  trans-97.7124.5177.3-57-175.5000110.3W108 C114 C116 I129 F139 V141 K152W108-L157 HydrophobicContact CD2-CD1 4.23Å; W108-L157 HydrophobicContact CG-CD1 4.15Å; W108-L157 HydrophobicContact CH2-CB 4.35Å; W108-L157 HydrophobicContact CZ2-CB 3.55Å; C114-L157 HydrophobicContact CB-CB 4.45Å; C114-L157 HydrophobicContact CB-CD2 4.47Å; C116-L157 HydrophobicContact CB-CD2 3.97Å; I129-L157 HydrophobicContact CD1-CD1 4Å; F139-L157 HydrophobicContact CB-CD1 3.77Å; F139-L157 HydrophobicContact CD1-CD1 4.03Å; F139-L157 HydrophobicContact CD2-CD1 4.09Å; F139-L157 HydrophobicContact CG-CD1 3.67Å; V141-L157 HydrophobicContact CG1-CD2 4.04Å; K152-L157 HydrophobicContact CB-CD2 3.81Å; K152-L157 HydrophobicContact CB-CG 4.5Å; K152-L157 HydrophobicContact CG-CD2 4.32Å
158Y94Very high91.3Very high63 Ų6369.2 Ų69.225%0.24735%0.348CS..EExtended strand (participates in β ladder)trans-116.1149.2179.2-54-75.9000111.2W108 C114 I115 Y124 F164W108-Y158 WeakPolarHBondContact CH2-O 3.49Å; C114-Y158 CarbonylContact C-O 3.59Å; C114-Y158 WeakPolarHBondContact CA-O 2.91Å; I115-Y158 PolarHBondContact N-O 3.39Å; I115-Y158 WeakPolarHBondContact O-CD2 3.2Å; I115-Y158 PolarHBondContact O-N 3.04Å; Y124-Y158 HydrophobicContact CE1-CD2 4.08Å; Y124-Y158 AromaticContact CE1-CE2 3.81Å; Y124-Y158 HydrophobicContact CE1-CE2 3.81Å; Y158-F164 AromaticContact CD1-CD2 3.43Å; Y158-F164 HydrophobicContact CD1-CD2 3.43Å; Y158-F164 VanDerWaalsContact CD1-CD2 3.43Å; Y158-F164 HydrophobicContact CD1-CE1 4.41Å; Y158-F164 AromaticContact CD1-CE2 3.24Å; Y158-F164 HydrophobicContact CD1-CE2 3.24Å; Y158-F164 HydrophobicContact CD1-CG 4.12Å; Y158-F164 AromaticContact CD1-CZ 3.79Å; Y158-F164 HydrophobicContact CD1-CZ 3.79Å; Y158-F164 HydrophobicContact CD2-CD1 4.11Å; Y158-F164 HydrophobicContact CD2-CD2 4.14Å; Y158-F164 HydrophobicContact CD2-CE1 4.39Å; Y158-F164 HydrophobicContact CD2-CE2 4.43Å; Y158-F164 AromaticContact CD2-CG 3.98Å; Y158-F164 HydrophobicContact CD2-CG 3.98Å; Y158-F164 AromaticContact CE1-CD2 4Å; Y158-F164 HydrophobicContact CE1-CD2 4Å; Y158-F164 HydrophobicContact CE1-CE1 4.07Å; Y158-F164 AromaticContact CE1-CE2 3.38Å; Y158-F164 HydrophobicContact CE1-CE2 3.38Å; Y158-F164 AromaticContact CE1-CZ 3.42Å; Y158-F164 HydrophobicContact CE1-CZ 3.42Å; Y158-F164 VanDerWaalsContact CE1-CZ 3.42Å; Y158-F164 HydrophobicContact CE2-CD1 4.18Å; Y158-F164 HydrophobicContact CE2-CE1 4.07Å; Y158-F164 HydrophobicContact CE2-CG 4.47Å; Y158-F164 HydrophobicContact CE2-CZ 4.26Å; Y158-F164 HydrophobicContact CG-CB 4.36Å; Y158-F164 HydrophobicContact CG-CD1 4.31Å; Y158-F164 AromaticContact CG-CD2 3.5Å; Y158-F164 HydrophobicContact CG-CD2 3.5Å; Y158-F164 AromaticContact CG-CE2 3.81Å; Y158-F164 HydrophobicContact CG-CE2 3.81Å; Y158-F164 AromaticContact CG-CG 3.79Å; Y158-F164 HydrophobicContact CG-CG 3.79Å; Y158-F164 HydrophobicContact CG-CZ 4.33Å; Y158-F164 AromaticContact CZ-CE1 3.88Å; Y158-F164 AromaticContact CZ-CZ 3.68Å
159N90.8Very high91.2Very high63 Ų6371 Ų7134%0.33736%0.362SS..EExtended strand (participates in β ladder)trans-67.7148.1176.5-162.6-75.3000111Q106 N161 S162Q106-N159 PolarHBondContact NE2-ND2 3.34Å; N159-N161 PolarHBondContact O-N 2.73Å; N159-N161 PolarHBondContact OD1-N 2.84Å; N159-N161 VanDerWaalsContact OD1-N 3.12Å; N159-S162 WeakPolarHBondContact O-CB 3.32Å; N159-S162 PolarHBondContact O-N 3.27Å; N159-S162 PolarHBondContact O-OG 3.48Å
160I87.2Confident91.1Very high40 Ų4067.9 Ų67.921%0.20534%0.342CS..THydrogen-bonded Turntrans-59.5-29.417857.7169.8000114I113 Y126 S162I113-I160 HydrophobicContact CB-CG2 3.97Å; I113-I160 HydrophobicContact CG2-CG2 3.62Å; I113-I160 WeakPolarHBondContact O-CG2 3.18Å; Y126-I160 HydrophobicContact CD1-CG2 3.9Å; Y126-I160 HydrophobicContact CE1-CB 3.99Å; Y126-I160 HydrophobicContact CE1-CG2 3.74Å; I160-S162 VanDerWaalsContact C-N 3.33Å
161N81Confident90.9Very high109 Ų10972.1 Ų72.158%0.58336%0.363SS*.THydrogen-bonded Turntrans-96.515.6179.4-61.1-14.1000112.3N159N159-N161 PolarHBondContact O-N 2.73Å; N159-N161 PolarHBondContact OD1-N 2.84Å; N159-N161 VanDerWaalsContact OD1-N 3.12Å
162S84.7Confident90.8Very high32 Ų3270.9 Ų70.922%0.22436%0.359CS..SBendtrans-81.4169.317769.30000111.1N159 I160 F164 E165N159-S162 WeakPolarHBondContact O-CB 3.32Å; N159-S162 PolarHBondContact O-N 3.27Å; N159-S162 PolarHBondContact O-OG 3.48Å; I160-S162 VanDerWaalsContact C-N 3.33Å; S162-F164 PolarHBondContact O-N 2.92Å; S162-F164 PolarHBondContact OG-N 3.15Å; S162-E165 PolarHBondContact O-N 2.79Å; S162-E165 VanDerWaalsContact O-N 3.13Å
163E85Confident90.8Very high145 Ų14570 Ų7068%0.67836%0.355SS*.G310 helixtrans-54.6-1917263.3-173.1175.800113.7E165 V166E163-E165 VanDerWaalsContact C-N 3.27Å; E163-E165 PolarHBondContact O-N 3.37Å; E163-V166 PolarHBondContact O-N 2.86Å
164F89.3Confident90.8Very high30 Ų3070.9 Ų70.913%0.13236%0.355CS..G310 helixtrans-72.8-15.6-179.8-64.2-87.5000114.4I115 Y124 Y158 S162 V166 Y167I115-F164 HydrophobicContact CD1-CB 4.41Å; I115-F164 HydrophobicContact CG2-CB 4Å; Y124-F164 HydrophobicContact CD1-CD1 4.13Å; Y124-F164 AromaticContact CE1-CD1 3.44Å; Y124-F164 HydrophobicContact CE1-CD1 3.44Å; Y124-F164 VanDerWaalsContact CE1-CD1 3.44Å; Y124-F164 AromaticContact CE1-CE1 3.97Å; Y124-F164 HydrophobicContact CE1-CE1 3.97Å; Y124-F164 HydrophobicContact CE1-CG 4.34Å; Y124-F164 HydrophobicContact CE2-CD1 4.47Å; Y124-F164 AromaticContact CZ-CD1 3.65Å; Y124-F164 AromaticContact CZ-CE1 3.88Å; Y124-F164 WeakPolarHBondContact OH-CE1 3.38Å; Y158-F164 AromaticContact CD1-CD2 3.43Å; Y158-F164 HydrophobicContact CD1-CD2 3.43Å; Y158-F164 VanDerWaalsContact CD1-CD2 3.43Å; Y158-F164 HydrophobicContact CD1-CE1 4.41Å; Y158-F164 AromaticContact CD1-CE2 3.24Å; Y158-F164 HydrophobicContact CD1-CE2 3.24Å; Y158-F164 HydrophobicContact CD1-CG 4.12Å; Y158-F164 AromaticContact CD1-CZ 3.79Å; Y158-F164 HydrophobicContact CD1-CZ 3.79Å; Y158-F164 HydrophobicContact CD2-CD1 4.11Å; Y158-F164 HydrophobicContact CD2-CD2 4.14Å; Y158-F164 HydrophobicContact CD2-CE1 4.39Å; Y158-F164 HydrophobicContact CD2-CE2 4.43Å; Y158-F164 AromaticContact CD2-CG 3.98Å; Y158-F164 HydrophobicContact CD2-CG 3.98Å; Y158-F164 AromaticContact CE1-CD2 4Å; Y158-F164 HydrophobicContact CE1-CD2 4Å; Y158-F164 HydrophobicContact CE1-CE1 4.07Å; Y158-F164 AromaticContact CE1-CE2 3.38Å; Y158-F164 HydrophobicContact CE1-CE2 3.38Å; Y158-F164 AromaticContact CE1-CZ 3.42Å; Y158-F164 HydrophobicContact CE1-CZ 3.42Å; Y158-F164 VanDerWaalsContact CE1-CZ 3.42Å; Y158-F164 HydrophobicContact CE2-CD1 4.18Å; Y158-F164 HydrophobicContact CE2-CE1 4.07Å; Y158-F164 HydrophobicContact CE2-CG 4.47Å; Y158-F164 HydrophobicContact CE2-CZ 4.26Å; Y158-F164 HydrophobicContact CG-CB 4.36Å; Y158-F164 HydrophobicContact CG-CD1 4.31Å; Y158-F164 AromaticContact CG-CD2 3.5Å; Y158-F164 HydrophobicContact CG-CD2 3.5Å; Y158-F164 AromaticContact CG-CE2 3.81Å; Y158-F164 HydrophobicContact CG-CE2 3.81Å; Y158-F164 AromaticContact CG-CG 3.79Å; Y158-F164 HydrophobicContact CG-CG 3.79Å; Y158-F164 HydrophobicContact CG-CZ 4.33Å; Y158-F164 AromaticContact CZ-CE1 3.88Å; Y158-F164 AromaticContact CZ-CZ 3.68Å; S162-F164 PolarHBondContact O-N 2.92Å; S162-F164 PolarHBondContact OG-N 3.15Å; F164-V166 PolarHBondContact O-N 2.63Å; F164-Y167 HydrophobicContact CB-CD2 4.37Å; F164-Y167 AromaticContact CD1-CD2 3.84Å; F164-Y167 HydrophobicContact CD1-CD2 3.84Å; F164-Y167 HydrophobicContact CD1-CE2 4.15Å; F164-Y167 HydrophobicContact CG-CD2 4.42Å; F164-Y167 PolarHBondContact O-N 3.5Å
165E89.2Confident90.8Very high85 Ų8573.1 Ų73.140%0.39737%0.371SS..G310 helixtrans-57.2-33.1174169.6164.2-147.800112.4I115 Y126 S162 E163 Y167 V168I115-E165 HydrophobicContact CD1-CB 4.06Å; Y126-E165 VanDerWaalsContact OH-CG 3.27Å; Y126-E165 WeakPolarHBondContact OH-CG 3.43Å; Y126-E165 PolarHBondContact OH-OE1 2.91Å; S162-E165 PolarHBondContact O-N 2.79Å; S162-E165 VanDerWaalsContact O-N 3.13Å; E163-E165 VanDerWaalsContact C-N 3.27Å; E163-E165 PolarHBondContact O-N 3.37Å; E165-Y167 PolarHBondContact O-N 3.4Å; E165-V168 PolarHBondContact O-N 3.47Å
166V89.2Confident90.9Very high119 Ų11966.7 Ų66.772%0.72135%0.347SS*.G310 helixtrans-66.9-28.5179.1-174.90000111.6E163 F164E163-V166 PolarHBondContact O-N 2.86Å; F164-V166 PolarHBondContact O-N 2.63Å
167Y92.3Very high90.8Very high130 Ų13064 Ų6451%0.5133%0.333SS..G310 helixtrans-83.3-15.6-179.8-57.8-59000113.7Y124 F164 E165 T169Y124-Y167 HydrophobicContact CD2-CG 4.25Å; Y124-Y167 HydrophobicContact CE2-CD2 4.43Å; Y124-Y167 HydrophobicContact CE2-CG 4.45Å; F164-Y167 HydrophobicContact CB-CD2 4.37Å; F164-Y167 AromaticContact CD1-CD2 3.84Å; F164-Y167 HydrophobicContact CD1-CD2 3.84Å; F164-Y167 HydrophobicContact CD1-CE2 4.15Å; F164-Y167 HydrophobicContact CG-CD2 4.42Å; F164-Y167 PolarHBondContact O-N 3.5Å; E165-Y167 PolarHBondContact O-N 3.4Å; Y167-T169 PolarHBondContact O-N 3.02Å
168V93.7Very high90.4Very high1 Ų169.1 Ų69.11%0.00636%0.36CS..  trans-71.9114.3170.8-173.80000107.6I115 Y124 Y126 E165 K174I115-V168 HydrophobicContact CD1-CG2 4.37Å; I115-V168 HydrophobicContact CG1-CG2 4.41Å; I115-V168 HydrophobicContact CG2-CG2 3.88Å; Y124-V168 WeakPolarHBondContact O-CA 3.26Å; Y126-V168 HydrophobicContact CD2-CB 4.41Å; Y126-V168 HydrophobicContact CD2-CG1 3.79Å; Y126-V168 HydrophobicContact CD2-CG2 4.22Å; Y126-V168 HydrophobicContact CE2-CB 3.98Å; Y126-V168 HydrophobicContact CE2-CG1 3.76Å; Y126-V168 HydrophobicContact CE2-CG2 3.9Å; E165-V168 PolarHBondContact O-N 3.47Å; V168-K174 HydrophobicContact CG1-CG 3.98Å; V168-K174 WeakPolarHBondContact O-CE 3.31Å; V168-K174 PolarHBondContact O-NZ 2.57Å
169T92.4Very high90Very high108 Ų10868.7 Ų68.766%0.66337%0.366SS*.  trans-105.1-20.4-177.754.10000113.2Y167 M171Y167-T169 PolarHBondContact O-N 3.02Å; T169-M171 WeakPolarHBondContact O-CE 3.46Å; T169-M171 PolarHBondContact O-N 2.75Å
170D92.8Very high89.2Confident24 Ų2467.4 Ų67.413%0.12836%0.36CS..  trans-74.1116.5-177.9-172.6-44.9000111.9Y125 Y146 M172 N173 K174Y125-D170 HydrophobicContact CD1-CB 4.12Å; Y125-D170 HydrophobicContact CE1-CB 3.8Å; Y146-D170 WeakPolarHBondContact CE2-OD2 3.41Å; Y146-D170 PolarHBondContact OH-OD2 3.14Å; D170-M172 WeakPolarHBondContact OD1-CA 3.32Å; D170-M172 WeakPolarHBondContact OD1-CB 3.44Å; D170-M172 PolarHBondContact OD1-N 3.04Å; D170-N173 HydrophobicContact CB-CB 3.88Å; D170-N173 PolarHBondContact OD1-N 2.95Å; D170-K174 WeakPolarHBondContact O-CB 3.31Å; D170-K174 VanDerWaalsContact O-CG 3.31Å; D170-K174 WeakPolarHBondContact O-CG 3.24Å; D170-K174 PolarHBondContact O-N 2.85Å; D170-K174 VanDerWaalsContact O-N 3.09Å
171M93.3Very high88.2Confident122 Ų12270.1 Ų70.160%0.60137%0.371SS*.Hα-helixtrans-72.8-33-178.8-65.4-64.9136.500113.1T169 K174 S175T169-M171 WeakPolarHBondContact O-CE 3.46Å; T169-M171 PolarHBondContact O-N 2.75Å; M171-K174 HydrophobicContact CE-CD 4.21Å; M171-K174 PolarHBondContact O-N 3.26Å; M171-K174 HydrophobicContact SD-CD 4.33Å; M171-S175 WeakPolarHBondContact O-CB 3.43Å; M171-S175 PolarHBondContact O-N 3.12Å; M171-S175 PolarHBondContact O-OG 3.12Å; M171-S175 VanDerWaalsContact O-OG 3.08Å
172M94.4Very high87.1Confident103 Ų10371.8 Ų71.851%0.50738%0.375SS..Hα-helixtrans-71.2-42.3179.7-68.1-177.4-79.900110.5F145 D170 S175 S176F145-M172 HydrophobicContact CD1-CB 3.71Å; F145-M172 HydrophobicContact CD2-CB 4.01Å; F145-M172 HydrophobicContact CE1-CB 3.7Å; F145-M172 HydrophobicContact CE1-CE 4.17Å; F145-M172 HydrophobicContact CE1-CG 4.25Å; F145-M172 HydrophobicContact CE1-SD 3.65Å; F145-M172 HydrophobicContact CE2-CB 4Å; F145-M172 HydrophobicContact CE2-CG 4.42Å; F145-M172 HydrophobicContact CE2-SD 4.22Å; F145-M172 HydrophobicContact CG-CB 3.87Å; F145-M172 HydrophobicContact CZ-CB 3.85Å; F145-M172 HydrophobicContact CZ-CE 4.49Å; F145-M172 HydrophobicContact CZ-CG 4.09Å; F145-M172 HydrophobicContact CZ-SD 3.41Å; F145-M172 WeakPolarHBondContact CZ-SD 3.24Å; D170-M172 WeakPolarHBondContact OD1-CA 3.32Å; D170-M172 WeakPolarHBondContact OD1-CB 3.44Å; D170-M172 PolarHBondContact OD1-N 3.04Å; M172-S175 PolarHBondContact O-N 2.98Å; M172-S176 WeakPolarHBondContact O-CB 3.37Å; M172-S176 PolarHBondContact O-N 2.97Å
173N95.6Very high85.7Confident0 Ų077.7 Ų77.70%040%0.397CS..Hα-helixtrans-59.9-46.6171.8175.8-101.3000111.5Y125 Y126 C144 Y146 D170 S176 A177Y125-N173 HydrophobicContact CD1-CB 4.13Å; Y126-N173 WeakPolarHBondContact CD2-OD1 3.36Å; Y126-N173 PolarHBondContact N-OD1 3.05Å; Y126-N173 PolarHBondContact O-ND2 2.65Å; C144-N173 PolarHBondContact O-ND2 3.06Å; Y146-N173 HydrophobicContact CE2-CB 4.42Å; D170-N173 HydrophobicContact CB-CB 3.88Å; D170-N173 PolarHBondContact OD1-N 2.95Å; N173-S176 PolarHBondContact O-N 2.8Å; N173-A177 PolarHBondContact O-N 3.37Å
174K93.8Very high84.1Confident48 Ų4875.8 Ų75.821%0.20939%0.39CS..Hα-helixtrans-55.8-54174.2-82.2-178.6-179.5-168.40112.7Y126 V168 D170 M171 S176 A177 L178Y126-K174 HydrophobicContact CD2-CG 4.16Å; Y126-K174 HydrophobicContact CE2-CG 3.75Å; V168-K174 HydrophobicContact CG1-CG 3.98Å; V168-K174 WeakPolarHBondContact O-CE 3.31Å; V168-K174 PolarHBondContact O-NZ 2.57Å; D170-K174 WeakPolarHBondContact O-CB 3.31Å; D170-K174 VanDerWaalsContact O-CG 3.31Å; D170-K174 WeakPolarHBondContact O-CG 3.24Å; D170-K174 PolarHBondContact O-N 2.85Å; D170-K174 VanDerWaalsContact O-N 3.09Å; M171-K174 HydrophobicContact CE-CD 4.21Å; M171-K174 PolarHBondContact O-N 3.26Å; M171-K174 HydrophobicContact SD-CD 4.33Å; K174-S176 VanDerWaalsContact C-N 3.3Å; K174-S176 PolarHBondContact O-N 3.39Å; K174-A177 PolarHBondContact O-N 3.36Å; K174-L178 WeakPolarHBondContact O-CG 3.46Å; K174-L178 PolarHBondContact O-N 3.45Å
175S91.3Very high81.8Confident78 Ų7879.1 Ų79.155%0.54542%0.417SS..Hα-helixtrans-61.5-39-178.9-64.80000112.1M171 M172 L178 S179M171-S175 WeakPolarHBondContact O-CB 3.43Å; M171-S175 PolarHBondContact O-N 3.12Å; M171-S175 PolarHBondContact O-OG 3.12Å; M171-S175 VanDerWaalsContact O-OG 3.08Å; M172-S175 PolarHBondContact O-N 2.98Å; S175-L178 PolarHBondContact O-N 2.92Å; S175-S179 PolarHBondContact O-N 2.76Å
176S92.1Very high79.5Confident30 Ų3081.5 Ų81.521%0.2143%0.433CS..Hα-helixtrans-63.5-46.6176-178.90000111.7F145 M172 N173 K174 L178 S179 V180F145-S176 PolarHBondContact N-OG 3.16Å; F145-S176 VanDerWaalsContact N-OG 3.09Å; M172-S176 WeakPolarHBondContact O-CB 3.37Å; M172-S176 PolarHBondContact O-N 2.97Å; N173-S176 PolarHBondContact O-N 2.8Å; K174-S176 VanDerWaalsContact C-N 3.3Å; K174-S176 PolarHBondContact O-N 3.39Å; S176-L178 VanDerWaalsContact C-N 3.33Å; S176-L178 PolarHBondContact O-N 3.43Å; S176-S179 PolarHBondContact O-N 2.96Å; S176-S179 PolarHBondContact O-OG 3.11Å; S176-V180 WeakPolarHBondContact O-CG2 3.49Å; S176-V180 PolarHBondContact O-N 3.39Å
177A91.1Very high76.9Confident7 Ų783.8 Ų83.86%0.05844%0.436CS..Hα-helixtrans-61.1-40.5178.300000112.6Y126 C144 N173 K174 V180 K181Y126-A177 VanDerWaalsContact CB-CB 3.5Å; Y126-A177 HydrophobicContact CD1-CB 4.18Å; Y126-A177 HydrophobicContact CD2-CB 4.09Å; Y126-A177 HydrophobicContact CG-CB 3.66Å; C144-A177 HydrophobicContact CB-CB 4.16Å; N173-A177 PolarHBondContact O-N 3.37Å; K174-A177 PolarHBondContact O-N 3.36Å; A177-V180 PolarHBondContact O-N 3.48Å; A177-K181 PolarHBondContact O-N 3.02Å
178L86.4Confident73.8Confident115 Ų11583.2 Ų83.260%0.60245%0.449SS*.Hα-helixtrans-67.1-39.1177.5-67.5171.6000112.3K174 S175 S176 V180 K181 E182K174-L178 WeakPolarHBondContact O-CG 3.46Å; K174-L178 PolarHBondContact O-N 3.45Å; S175-L178 PolarHBondContact O-N 2.92Å; S176-L178 VanDerWaalsContact C-N 3.33Å; S176-L178 PolarHBondContact O-N 3.43Å; L178-V180 VanDerWaalsContact C-N 3.26Å; L178-V180 PolarHBondContact O-N 3.42Å; L178-K181 WeakPolarHBondContact O-CB 3.31Å; L178-K181 PolarHBondContact O-N 2.93Å; L178-K181 VanDerWaalsContact O-N 3.11Å; L178-E182 PolarHBondContact O-N 3Å
179S84.6Confident70.8Confident53 Ų5392 Ų9237%0.37149%0.49SS..Hα-helixtrans-64.9-28.6177.474.70000113.5S175 S176 K181 K183S175-S179 PolarHBondContact O-N 2.76Å; S176-S179 PolarHBondContact O-N 2.96Å; S176-S179 PolarHBondContact O-OG 3.11Å; S179-K181 VanDerWaalsContact C-N 3.33Å; S179-K183 PolarHBondContact O-N 3.33Å
180V74.3Confident67.8Low36 Ų3694.6 Ų94.622%0.21850%0.499CS..Hα-helixtrans-69.4-35174.8175.50000110.6I113 S176 A177 L178 I184I113-V180 HydrophobicContact CD1-CG1 4.21Å; S176-V180 WeakPolarHBondContact O-CG2 3.49Å; S176-V180 PolarHBondContact O-N 3.39Å; A177-V180 PolarHBondContact O-N 3.48Å; L178-V180 VanDerWaalsContact C-N 3.26Å; L178-V180 PolarHBondContact O-N 3.42Å; V180-I184 HydrophobicContact CG1-CD1 4.04Å; V180-I184 WeakPolarHBondContact O-CD1 3.47Å; V180-I184 WeakPolarHBondContact O-CG1 3.28Å; V180-I184 PolarHBondContact O-N 3.49Å
181K65.2Low64.8Low98 Ų98102.2 Ų102.243%0.42653%0.534SS..Hα-helixtrans-68.4-39178.7-170.3176.5-179174.50112.4A177 L178 S179 I184 S185A177-K181 PolarHBondContact O-N 3.02Å; L178-K181 WeakPolarHBondContact O-CB 3.31Å; L178-K181 PolarHBondContact O-N 2.93Å; L178-K181 VanDerWaalsContact O-N 3.11Å; S179-K181 VanDerWaalsContact C-N 3.33Å; K181-I184 PolarHBondContact O-N 3.46Å; K181-S185 PolarHBondContact O-N 3.07Å
182E59.3Low61.9Low144 Ų144105.5 Ų105.567%0.67355%0.548SS*.Hα-helixtrans-64.7-41.7179-165.6169.7-169.900111.4L178 I184 S185L178-E182 PolarHBondContact O-N 3Å; E182-I184 VanDerWaalsContact C-N 3.28Å; E182-I184 PolarHBondContact O-N 2.87Å; E182-S185 PolarHBondContact O-N 3.5Å
183K53.9Low58.7Low156 Ų156107.9 Ų107.968%0.67856%0.563SS**Hα-helixtrans-65.7-25176.6-72.5-176.8179.4-179.80114.8S179S179-K183 PolarHBondContact O-N 3.33Å
184I51.1Low55.6Low104 Ų104115 Ų11553%0.53360%0.601SS.*Hα-helixtrans-78.8-25178.7-65.9164.4000111V180 K181 E182 D186V180-I184 HydrophobicContact CG1-CD1 4.04Å; V180-I184 WeakPolarHBondContact O-CD1 3.47Å; V180-I184 WeakPolarHBondContact O-CG1 3.28Å; V180-I184 PolarHBondContact O-N 3.49Å; K181-I184 PolarHBondContact O-N 3.46Å; E182-I184 VanDerWaalsContact C-N 3.28Å; E182-I184 PolarHBondContact O-N 2.87Å; I184-D186 VanDerWaalsContact C-N 3.28Å; I184-D186 PolarHBondContact O-N 3.37Å
185S42.5Very low52.5Low101 Ų101119.2 Ų119.271%0.70663%0.626SS**Hα-helixtrans-70-25.1177.5-166.60000113.2K181 E182K181-S185 PolarHBondContact O-N 3.07Å; E182-S185 PolarHBondContact O-N 3.5Å
186D40.4Very low49.8Very low134 Ų134123 Ų12372%0.71764%0.639SS**THydrogen-bonded Turntrans-100.70.7-175.6-68-19.3000114I184I184-D186 VanDerWaalsContact C-N 3.28Å; I184-D186 PolarHBondContact O-N 3.37Å
187Q33.8Very low47Very low168 Ų168130.5 Ų130.579%0.78567%0.669SS**  trans-111.759.3179.6-74.1-170.4-1400112.4
188C27.6Very low44.1Very low118 Ų118137.1 Ų137.180%0.79770%0.702SS**SBendtrans-111.7122.5145.2-81.90000106.9
189E31.4Very low41.4Very low184 Ų184140.3 Ų140.386%0.8671%0.714SS**SBendtrans97.399.9175.1-58.2-165.5178.900117.7
190L29.4Very low38.7Very low163 Ų163143.5 Ų143.585%0.85373%0.731SS**  trans112.4105.4139.3-59.7173.8000118.3
191E28.8Very low36.4Very low185 Ų185147.2 Ų147.286%0.86476%0.757SS**  trans-53.9130.1148.2-55.3179.916300110.3
192E33.9Very low34.8Very low190 Ų190151 Ų15189%0.88878%0.777SS**  170.9155.4125-94.1-177.3-176.500110.9
193D26.5Very low33.9Very low154 Ų154149.1 Ų149.182%0.82478%0.779SS**  trans-55.9154.8-164.4-66.9-53.1000118.1
194N30.4Very low33Very low149 Ų149147.1 Ų147.180%0.79779%0.785SS**  120.8139.4123.3-132.1-10.7000117.8
195D29.4Very low32.7Very low137 Ų137146.8 Ų146.873%0.73379%0.788SS**  trans-48.9130.3-175.3-69.7-52.6000115.6
196N34.6Very low32.7Very low156 Ų156148.9 Ų148.983%0.83479%0.786SS**  175.8118.6119.2-91.8-52.6000113.3
197K32.9Very low32.9Very low189 Ų189148.3 Ų148.382%0.82278%0.783SS**  trans25.7108.3137.4-164.1178.3-179-165.40119.5
198L29.3Very low33.7Very low145 Ų145143.5 Ų143.576%0.75977%0.772SS**  trans50.589.1133.7-16087.8000117.7
199E30.8Very low34.5Very low182 Ų182142.4 Ų142.485%0.8576%0.758SS**  trans-131.6121.9137.9-82.1-173.4164.800108.8C201E199-C201 PolarHBondContact O-N 2.97Å; E199-C201 VanDerWaalsContact O-N 3.07Å
200T28.1Very low35.1Very low120 Ų120137.5 Ų137.574%0.73674%0.737SS**  trans-6797.5172.2-56.80000107.9E202T200-E202 HydrophobicContact CG2-CG 4.46Å; T200-E202 PolarHBondContact O-N 3.42Å; T200-E202 VanDerWaalsContact O-N 3.13Å
201C25.1Very low36.1Very low114 Ų114134.4 Ų134.477%0.7772%0.721SS**  trans-76.793.8164.9-71.40000107.7E199 S203E199-C201 PolarHBondContact O-N 2.97Å; E199-C201 VanDerWaalsContact O-N 3.07Å; C201-S203 VanDerWaalsContact C-N 3.34Å; C201-S203 PolarHBondContact O-N 3.06Å
202E31.5Very low37.4Very low179 Ų179131.2 Ų131.284%0.83671%0.706SS**  trans-53.8102.5156.8-71.2179.1158.200107.3T200 S204T200-E202 HydrophobicContact CG2-CG 4.46Å; T200-E202 PolarHBondContact O-N 3.42Å; T200-E202 VanDerWaalsContact O-N 3.13Å; E202-S204 PolarHBondContact O-N 3.15Å; E202-S204 VanDerWaalsContact O-N 3.11Å
203S39.8Very low37.7Very low103 Ų103127.3 Ų127.372%0.7269%0.691SS**  trans-69.9105.817045.80000107.3C201 V205C201-S203 VanDerWaalsContact C-N 3.34Å; C201-S203 PolarHBondContact O-N 3.06Å; S203-V205 PolarHBondContact O-N 3.15Å
204S36.7Very low38.6Very low115 Ų115124.5 Ų124.580%0.80468%0.676SS**  trans-63.976.5171.360.10000110.2E202E202-S204 PolarHBondContact O-N 3.15Å; E202-S204 VanDerWaalsContact O-N 3.11Å
205V44Very low39.6Very low96 Ų96122.8 Ų122.858%0.58266%0.663SS**  trans-82.5117.9158.3-177.80000105.1S203 D207S203-V205 PolarHBondContact O-N 3.15Å; V205-D207 PolarHBondContact O-N 3.4Å
206Q41.8Very low40.4Very low146 Ų146120.6 Ų120.668%0.68265%0.651SS**  trans-46108.7-165.6-64.3174.11.900111.7A208 D209Q206-A208 PolarHBondContact O-N 2.73Å; Q206-D209 PolarHBondContact O-N 2.87Å
207D44.4Very low41Very low122 Ų122116.3 Ų116.365%0.65263%0.63SS**Hα-helixtrans-53.6-13.2-177.6-75.5-51.4000114.4V205 N211V205-D207 PolarHBondContact O-N 3.4Å; D207-N211 VanDerWaalsContact O-CB 3.3Å; D207-N211 WeakPolarHBondContact O-CB 3.33Å; D207-N211 VanDerWaalsContact O-CG 3.23Å; D207-N211 PolarHBondContact O-N 2.88Å; D207-N211 PolarHBondContact O-ND2 3.42Å
208A51.9Low41.5Very low66 Ų66109.7 Ų109.755%0.54561%0.608SS.*Hα-helixtrans-67.9-46.8178.100000112.3Q206 N211 E212Q206-A208 PolarHBondContact O-N 2.73Å; A208-N211 PolarHBondContact O-N 3.27Å; A208-E212 PolarHBondContact O-N 3.06Å
209D43.8Very low42.1Very low95 Ų95107.5 Ų107.551%0.50859%0.593SS.*Hα-helixtrans-73.6-35.3-172.5-64-19.4000111.8Q206 E212 L213Q206-D209 PolarHBondContact O-N 2.87Å; D209-E212 PolarHBondContact O-N 3.19Å; D209-L213 WeakPolarHBondContact O-CB 3.29Å; D209-L213 WeakPolarHBondContact O-CG 3.47Å; D209-L213 PolarHBondContact O-N 3.06Å
210I45Very low42.5Very low81 Ų81102.8 Ų102.842%0.41557%0.574SS.*Hα-helixtrans-70.5-35.8175.5-64.4175.2000110.7L213 N214I210-L213 PolarHBondContact O-N 3.29Å; I210-N214 VanDerWaalsContact O-CB 3.3Å; I210-N214 WeakPolarHBondContact O-CB 3.46Å; I210-N214 VanDerWaalsContact O-CG 3.24Å; I210-N214 PolarHBondContact O-N 3.49Å; I210-N214 PolarHBondContact O-ND2 3.47Å
211N49.6Very low43Very low98 Ų98104.3 Ų104.352%0.52457%0.572SS.*Hα-helixtrans-68.4-39.4174.8-79.9-37.9000111.9D207 A208 N214 E215D207-N211 VanDerWaalsContact O-CB 3.3Å; D207-N211 WeakPolarHBondContact O-CB 3.33Å; D207-N211 VanDerWaalsContact O-CG 3.23Å; D207-N211 PolarHBondContact O-N 2.88Å; D207-N211 PolarHBondContact O-ND2 3.42Å; A208-N211 PolarHBondContact O-N 3.27Å; N211-N214 PolarHBondContact O-N 3.08Å; N211-E215 VanDerWaalsContact O-CB 3.24Å; N211-E215 WeakPolarHBondContact O-CB 3.32Å; N211-E215 PolarHBondContact O-N 2.84Å
212E56.7Low43.7Very low118 Ų118106.4 Ų106.455%0.55157%0.568SS**Hα-helixtrans-63.9-43.1174.6-168.4171.7-171.400111.5A208 D209 E215 I216A208-E212 PolarHBondContact O-N 3.06Å; D209-E212 PolarHBondContact O-N 3.19Å; E212-E215 PolarHBondContact O-N 3.2Å; E212-I216 HydrophobicContact CG-CD1 4.27Å; E212-I216 VanDerWaalsContact O-CG1 3.29Å; E212-I216 WeakPolarHBondContact O-CG1 3.5Å; E212-I216 PolarHBondContact O-N 3.35Å
213L39.9Very low43.9Very low108 Ų108102.6 Ų102.657%0.56556%0.557SS**Hα-helixtrans-62.2-42.8174.2-78.6166.4000112.7D209 I210 E215 T217D209-L213 WeakPolarHBondContact O-CB 3.29Å; D209-L213 WeakPolarHBondContact O-CG 3.47Å; D209-L213 PolarHBondContact O-N 3.06Å; I210-L213 PolarHBondContact O-N 3.29Å; L213-E215 VanDerWaalsContact C-N 3.35Å; L213-T217 WeakPolarHBondContact O-CB 3.44Å; L213-T217 PolarHBondContact O-N 2.85Å; L213-T217 PolarHBondContact O-OG1 2.84Å
214N44.3Very low43.6Very low95 Ų95101.4 Ų101.451%0.50855%0.549SS..Hα-helixtrans-68.5-34.5176.3-76.2-27.3000111.8I210 N211 S218I210-N214 VanDerWaalsContact O-CB 3.3Å; I210-N214 WeakPolarHBondContact O-CB 3.46Å; I210-N214 VanDerWaalsContact O-CG 3.24Å; I210-N214 PolarHBondContact O-N 3.49Å; I210-N214 PolarHBondContact O-ND2 3.47Å; N211-N214 PolarHBondContact O-N 3.08Å; N214-S218 VanDerWaalsContact O-CB 3.23Å; N214-S218 WeakPolarHBondContact O-CB 3.45Å; N214-S218 PolarHBondContact O-N 3.22Å
215E52.7Low43.7Very low113 Ų113100 Ų10053%0.52853%0.532SS..Hα-helixtrans-66.1-51176.6-170.8164.6-163.500110.4N211 E212 L213 T217 S218 H219N211-E215 VanDerWaalsContact O-CB 3.24Å; N211-E215 WeakPolarHBondContact O-CB 3.32Å; N211-E215 PolarHBondContact O-N 2.84Å; E212-E215 PolarHBondContact O-N 3.2Å; L213-E215 VanDerWaalsContact C-N 3.35Å; E215-T217 VanDerWaalsContact C-N 3.32Å; E215-T217 PolarHBondContact O-N 2.84Å; E215-S218 PolarHBondContact O-N 2.89Å; E215-S218 VanDerWaalsContact O-N 3.12Å; E215-S218 PolarHBondContact O-OG 3.19Å; E215-H219 WeakPolarHBondContact CG-NE2 3.43Å; E215-H219 PolarHBondContact O-CD2 3.4Å; E215-H219 PolarHBondContact O-N 3.21Å; E215-H219 IonicContact OE1-NE2 3.77Å
216I46.3Very low43.3Very low92 Ų92101.4 Ų101.447%0.47254%0.536SS..Hα-helixtrans-54.9-47.9174.9-66.5165.6000110.7E212 S218 H219 L220E212-I216 HydrophobicContact CG-CD1 4.27Å; E212-I216 VanDerWaalsContact O-CG1 3.29Å; E212-I216 WeakPolarHBondContact O-CG1 3.5Å; E212-I216 PolarHBondContact O-N 3.35Å; I216-S218 PolarHBondContact O-N 2.83Å; I216-H219 PolarHBondContact O-N 2.77Å; I216-L220 HydrophobicContact CG2-CD1 3.94Å; I216-L220 WeakPolarHBondContact O-CD1 3.23Å; I216-L220 PolarHBondContact O-N 3.04Å; I216-L220 VanDerWaalsContact O-N 3.11Å
217T46.3Very low43Very low65 Ų6599.6 Ų99.640%0.39954%0.54SS..Hα-helixtrans-64.5-39.6179.8-49.40000111.3L213 E215 H219 L220 H221L213-T217 WeakPolarHBondContact O-CB 3.44Å; L213-T217 PolarHBondContact O-N 2.85Å; L213-T217 PolarHBondContact O-OG1 2.84Å; E215-T217 VanDerWaalsContact C-N 3.32Å; E215-T217 PolarHBondContact O-N 2.84Å; T217-H219 VanDerWaalsContact C-N 3.35Å; T217-H219 PolarHBondContact O-N 2.94Å; T217-L220 PolarHBondContact O-N 2.78Å; T217-H221 PolarHBondContact O-CD2 2.93Å; T217-H221 PolarHBondContact O-N 2.91Å; T217-H221 VanDerWaalsContact O-N 3.14Å
218S43.9Very low42.4Very low50 Ų5099.5 Ų99.535%0.3554%0.538SS..Hα-helixtrans-66.7-33.617783.30000113.4N214 E215 I216N214-S218 VanDerWaalsContact O-CB 3.23Å; N214-S218 WeakPolarHBondContact O-CB 3.45Å; N214-S218 PolarHBondContact O-N 3.22Å; E215-S218 PolarHBondContact O-N 2.89Å; E215-S218 VanDerWaalsContact O-N 3.12Å; E215-S218 PolarHBondContact O-OG 3.19Å; I216-S218 PolarHBondContact O-N 2.83Å
219H41.5Very low41.3Very low100 Ų100102.3 Ų102.346%0.46354%0.543SS..Hα-helixtrans-70.7-33.9175.4-74.1-66.5000111.6E215 I216 T217 K222E215-H219 WeakPolarHBondContact CG-NE2 3.43Å; E215-H219 PolarHBondContact O-CD2 3.4Å; E215-H219 PolarHBondContact O-N 3.21Å; E215-H219 IonicContact OE1-NE2 3.77Å; I216-H219 PolarHBondContact O-N 2.77Å; T217-H219 VanDerWaalsContact C-N 3.35Å; T217-H219 PolarHBondContact O-N 2.94Å; H219-K222 PolarHBondContact O-N 3.35Å
220L40.5Very low40.5Very low83 Ų83102.8 Ų102.844%0.43555%0.551SS.*Hα-helixtrans-70-38.7176.4-80.5155.3000113.2I216 T217 K222 T223I216-L220 HydrophobicContact CG2-CD1 3.94Å; I216-L220 WeakPolarHBondContact O-CD1 3.23Å; I216-L220 PolarHBondContact O-N 3.04Å; I216-L220 VanDerWaalsContact O-N 3.11Å; T217-L220 PolarHBondContact O-N 2.78Å; L220-K222 PolarHBondContact O-N 2.97Å; L220-T223 PolarHBondContact O-N 3.01Å; L220-T223 PolarHBondContact O-OG1 3.2Å
221H37.5Very low39.6Very low152 Ų152109.3 Ų109.370%0.70457%0.571SS**Hα-helixtrans-67.3-21.7175.2-77.5-75.9000113.4T217T217-H221 PolarHBondContact O-CD2 2.93Å; T217-H221 PolarHBondContact O-N 2.91Å; T217-H221 VanDerWaalsContact O-N 3.14Å
222K39.1Very low38.4Very low158 Ų158115.7 Ų115.769%0.68759%0.589SS**Hα-helixtrans-76.9-26175.4-73.4171.6-176.5164.90112.7H219 L220 S224H219-K222 PolarHBondContact O-N 3.35Å; L220-K222 PolarHBondContact O-N 2.97Å; K222-S224 PolarHBondContact O-N 2.92Å
223T35.7Very low37Very low98 Ų98119.3 Ų119.360%0.60160%0.603SS**SBendtrans-82.464.4171.547.30000110.4L220 L225L220-T223 PolarHBondContact O-N 3.01Å; L220-T223 PolarHBondContact O-OG1 3.2Å; T223-L225 PolarHBondContact O-N 3.14Å
224S34Very low36.3Very low78 Ų78123.8 Ų123.855%0.54562%0.618SS.*  trans-65.6124.7175.2-179.60000111.1K222 N226K222-S224 PolarHBondContact O-N 2.92Å; S224-N226 PolarHBondContact O-N 3.2Å; S224-N226 PolarHBondContact OG-ND2 3.13Å
225L39.1Very low35.3Very low86 Ų86127.9 Ų127.945%0.4563%0.634SS.*  trans-71.120.8-178.2-107.5157.8000115.5T223 S227 L228T223-L225 PolarHBondContact O-N 3.14Å; L225-S227 PolarHBondContact O-N 2.97Å; L225-L228 HydrophobicContact CD2-CB 4.02Å; L225-L228 HydrophobicContact CD2-CD1 3.48Å; L225-L228 VanDerWaalsContact CD2-CD1 3.48Å; L225-L228 HydrophobicContact CD2-CG 4.35Å; L225-L228 PolarHBondContact O-N 2.7Å
226N35.4Very low34Very low126 Ų126131.7 Ų131.767%0.67465%0.652SS**THydrogen-bonded Turntrans-67.81.8-177.6-86-25.8000115.2S224S224-N226 PolarHBondContact O-N 3.2Å; S224-N226 PolarHBondContact OG-ND2 3.13Å
227S36.5Very low33.1Very low108 Ų108132 Ų13276%0.75566%0.662SS**THydrogen-bonded Turntrans-97.5-7.4176.562.30000115.3L225L225-S227 PolarHBondContact O-N 2.97Å
228L30Very low32Very low119 Ų119138.1 Ų138.162%0.62368%0.683SS**SBendtrans-103.3-2-176.1-88.2152000115.1L225 P230L225-L228 HydrophobicContact CD2-CB 4.02Å; L225-L228 HydrophobicContact CD2-CD1 3.48Å; L225-L228 VanDerWaalsContact CD2-CD1 3.48Å; L225-L228 HydrophobicContact CD2-CG 4.35Å; L225-L228 PolarHBondContact O-N 2.7Å; L228-P230 VanDerWaalsContact O-CD 3.28Å; L228-P230 WeakPolarHBondContact O-CD 3.33Å
229I29.5Very low31Very low125 Ų125141.5 Ų141.564%0.64170%0.702SS**SBendtrans-75.3118.9166.1-58.4176.7000108.2R231I229-R231 PolarHBondContact O-N 3.41Å
230P26.6Very low30.2Very low106 Ų106145.5 Ų145.569%0.68872%0.718SS**  trans-60.3104.9175.8-19.231.9000109.4L228 Y232L228-P230 VanDerWaalsContact O-CD 3.28Å; L228-P230 WeakPolarHBondContact O-CD 3.33Å; P230-Y232 PolarHBondContact O-N 3.06Å
231R26.7Very low29.5Very low218 Ų218148.4 Ų148.482%0.82373%0.734SS**  trans-65.1108.3170.6-75.4-172.6-174.9177.72.7107.8I229 K233I229-R231 PolarHBondContact O-N 3.41Å; R231-K233 VanDerWaalsContact C-N 3.32Å; R231-K233 PolarHBondContact O-N 2.8Å
232Y24.7Very low28.7Very low231 Ų231146.6 Ų146.691%0.90674%0.739SS**  trans-54.697.9162.4-69.8-83.8000108.5P230 K234P230-Y232 PolarHBondContact O-N 3.06Å; Y232-K234 PolarHBondContact O-N 2.69Å
233K27.5Very low27.9Very low195 Ų195144.9 Ų144.985%0.84875%0.745SS**  trans-76.494.8174.8-76.5-173.6179.4177.20108.3R231 Q235R231-K233 VanDerWaalsContact C-N 3.32Å; R231-K233 PolarHBondContact O-N 2.8Å; K233-Q235 PolarHBondContact O-N 3.34Å
234K25.1Very low27.3Very low202 Ų202150 Ų15088%0.87876%0.759SS**  trans-55.4132.2159.6-161.7175.1-176.8-179.20108.3Y232Y232-K234 PolarHBondContact O-N 2.69Å
235Q22.9Very low27Very low180 Ų180151.9 Ų151.984%0.84177%0.769SS**  trans-50.3133.3177.3-66.7167.1-9.900111.3K233K233-Q235 PolarHBondContact O-N 3.34Å
236E25.9Very low26.2Very low194 Ų194151 Ų15191%0.90778%0.782SS**  trans-165.1157.6138.2-111.7169.2-154.900111.8
237S25.9Very low25.9Very low98 Ų98153.2 Ų153.269%0.68579%0.792SS**  trans-90.3152.4-147.850.20000116.2
238K24.8Very low25.4Very low193 Ų193155.3 Ų155.384%0.83980%0.795SS**  trans65122.6144.7-72.7179.7179177.30119.9
239T23.1Very low25.2Very low122 Ų122158.6 Ų158.675%0.74881%0.807SS**  trans83.2107.6141.531.70000121.6
240K24.2Very low25Very low183 Ų183162.7 Ų162.780%0.79682%0.821SS**  71.9125127-82-177177.5-1800121.1
241N24.7Very low25Very low145 Ų145160.9 Ų160.978%0.77581%0.811SS**  trans99.795.6146.7-61.7-3.3000118.5
242S22.1Very low25.3Very low114 Ų114155.8 Ų155.880%0.79780%0.803SS**  41.2104.2119.2-179.70000118.5
243C21.7Very low25.6Very low122 Ų122151.4 Ų151.482%0.82479%0.791SS**  -150.8126127.2-99.50000110.4
244K23.1Very low25.6Very low204 Ų204148 Ų14889%0.88778%0.783SS**  trans-67.2141.7153.9-68.6178.8175-176.90108
245P26.9Very low25.8Very low118 Ų118143.6 Ų143.677%0.76677%0.767SS**  -129.613311631.9-20000108.6
246G22.5Very low26.2Very low69 Ų69138.8 Ų138.871%0.71175%0.754SS**  87.559.676.700000109.5
247L29.1Very low26.5Very low172 Ų172136.6 Ų136.690%0.90174%0.744SS**  trans-108.3111.7163.3-75.6175000106E249L247-E249 PolarHBondContact O-N 3.12Å
248N26.4Very low26.6Very low152 Ų152135.4 Ų135.481%0.81374%0.735SS**  trans-52.4130-176.3-65.3-26000110.2F250N248-F250 PolarHBondContact O-N 3.21Å
249E26.3Very low26.9Very low187 Ų187131.5 Ų131.587%0.87472%0.722SS**  trans-48110.7164-78.3168139.400108.7L247 S251L247-E249 PolarHBondContact O-N 3.12Å; E249-S251 PolarHBondContact O-N 2.98Å
250F25.6Very low27.3Very low211 Ų211134.6 Ų134.693%0.92573%0.725SS**  trans-65.194.5158.4-108.8-93.9000106.2N248 V252N248-F250 PolarHBondContact O-N 3.21Å; F250-V252 PolarHBondContact O-N 2.7Å
251S25.2Very low27.4Very low69 Ų69134 Ų13448%0.48373%0.725SS.*  trans-67126.4173.8-171.20000108.9E249 E253E249-S251 PolarHBondContact O-N 2.98Å; S251-E253 PolarHBondContact O-N 3.33Å; S251-E253 PolarHBondContact OG-OE2 3.47Å
252V34.3Very low27.7Very low110 Ų110133.5 Ų133.567%0.66772%0.723SS**THydrogen-bonded Turntrans-65.7-4.7-177-1790000112.4F250 N254 I255F250-V252 PolarHBondContact O-N 2.7Å; V252-N254 VanDerWaalsContact C-N 3.34Å; V252-N254 PolarHBondContact O-N 2.98Å; V252-I255 PolarHBondContact O-N 2.82Å
253E29.5Very low28.1Very low139 Ų139136.5 Ų136.565%0.6572%0.724SS**Hα-helixtrans-67.9-27.4-178.1-73.7174.1148.600114.2S251 I255 S256S251-E253 PolarHBondContact O-N 3.33Å; S251-E253 PolarHBondContact OG-OE2 3.47Å; E253-I255 VanDerWaalsContact C-N 3.35Å; E253-I255 PolarHBondContact O-N 2.55Å; E253-S256 PolarHBondContact O-N 3.14Å
254N28.3Very low28.6Very low125 Ų125136 Ų13667%0.66872%0.722SS**Hα-helixtrans-75.3-22.2-178.3-76.1-1000113.7V252 S256 S258V252-N254 VanDerWaalsContact C-N 3.34Å; V252-N254 PolarHBondContact O-N 2.98Å; N254-S256 VanDerWaalsContact C-N 3.35Å; N254-S258 PolarHBondContact O-OG 2.87Å
255I29.6Very low29Very low108 Ų108132.7 Ų132.755%0.55471%0.713SS**Hα-helixtrans-76.4-28.3176.5-58.1176.8000110.5V252 E253 Q257 S258 I259V252-I255 PolarHBondContact O-N 2.82Å; E253-I255 VanDerWaalsContact C-N 3.35Å; E253-I255 PolarHBondContact O-N 2.55Å; I255-Q257 VanDerWaalsContact C-N 3.26Å; I255-Q257 PolarHBondContact O-N 3.35Å; I255-S258 PolarHBondContact O-OG 3.32Å; I255-I259 HydrophobicContact CG2-CD1 4.08Å; I255-I259 WeakPolarHBondContact O-CD1 3.43Å; I255-I259 WeakPolarHBondContact O-CG1 3.29Å; I255-I259 PolarHBondContact O-N 3.03Å
256S31.7Very low29.2Very low80 Ų80132.7 Ų132.756%0.55971%0.707SS**Hα-helixtrans-72.4-19.2178.5-650000113.4E253 N254E253-S256 PolarHBondContact O-N 3.14Å; N254-S256 VanDerWaalsContact C-N 3.35Å
257Q30.7Very low30.1Very low148 Ų148136.4 Ų136.469%0.69270%0.704SS**Hα-helixtrans-87-32.2178-66.6-174.1000112.8I255I255-Q257 VanDerWaalsContact C-N 3.26Å; I255-Q257 PolarHBondContact O-N 3.35Å
258S29.4Very low30.3Very low72 Ų72131.7 Ų131.750%0.50369%0.685SS.*Hα-helixtrans-76.3-25.8177.646.10000113.7N254 I255 K260 Q261N254-S258 PolarHBondContact O-OG 2.87Å; I255-S258 PolarHBondContact O-OG 3.32Å; S258-K260 PolarHBondContact O-N 3.31Å; S258-Q261 PolarHBondContact O-N 3.07Å
259I30.4Very low30.7Very low111 Ų111131.4 Ų131.457%0.56968%0.683SS**G310 helixtrans-65.7-19.4177.4-67.2167.4000112.7I255 Q261I255-I259 HydrophobicContact CG2-CD1 4.08Å; I255-I259 WeakPolarHBondContact O-CD1 3.43Å; I255-I259 WeakPolarHBondContact O-CG1 3.29Å; I255-I259 PolarHBondContact O-N 3.03Å; I259-Q261 VanDerWaalsContact C-N 3.33Å; I259-Q261 PolarHBondContact O-N 3.19Å
260K30.9Very low31.4Very low187 Ų187126.6 Ų126.681%0.81366%0.663SS**G310 helixtrans-81.2-3.4-179.2-76.6-171.6178.41800115.3S258S258-K260 PolarHBondContact O-N 3.31Å
261Q27.8Very low32.1Very low171 Ų171125.2 Ų125.280%0.79966%0.659SS**G310 helixtrans-119.416.1-179.7-76.5-168.6-11.800115.4S258 I259 Q263S258-Q261 PolarHBondContact O-N 3.07Å; I259-Q261 VanDerWaalsContact C-N 3.33Å; I259-Q261 PolarHBondContact O-N 3.19Å; Q261-Q263 PolarHBondContact O-N 2.95Å
262N30.4Very low32.9Very low135 Ų135130.8 Ų130.872%0.72268%0.677SS**  trans-75.381164.6-68-18.8000108.7S264N262-S264 PolarHBondContact O-N 3.16Å
263Q31.1Very low33.5Very low176 Ų176128.5 Ų128.582%0.82266%0.663SS**  trans-49.8123.8152.9-73.9-178.816.100106.3Q261 L265Q261-Q263 PolarHBondContact O-N 2.95Å; Q263-L265 PolarHBondContact O-N 2.84Å
264S31.5Very low34.4Very low111 Ų111124.5 Ų124.578%0.77665%0.651SS**  trans-26.3102.1164.1155.30000110.4N262 D266N262-S264 PolarHBondContact O-N 3.16Å; S264-D266 PolarHBondContact O-N 3.48Å
265L32.1Very low35.5Very low136 Ų136124.5 Ų124.571%0.71265%0.647SS**  trans-59.9106.6170.8-81157.3000106.4Q263 F267Q263-L265 PolarHBondContact O-N 2.84Å; L265-F267 HydrophobicContact CB-CD2 4.5Å; L265-F267 HydrophobicContact CB-CE2 3.97Å; L265-F267 HydrophobicContact CB-CZ 4.07Å; L265-F267 WeakPolarHBondContact O-CD2 3.4Å; L265-F267 WeakPolarHBondContact O-CE2 3.33Å; L265-F267 PolarHBondContact O-N 2.81Å; L265-F267 VanDerWaalsContact O-N 3.12Å
266D31Very low36.7Very low117 Ų117124 Ų12463%0.62664%0.644SS**  trans-74.1100175.5-169.6-10.9000107.6S264 S268S264-D266 PolarHBondContact O-N 3.48Å; D266-S268 PolarHBondContact O-N 2.82Å; D266-S268 VanDerWaalsContact O-N 3.14Å; D266-S268 VanDerWaalsContact OD1-CB 3.32Å; D266-S268 WeakPolarHBondContact OD1-CB 3.47Å; D266-S268 PolarHBondContact OD1-N 3.45Å; D266-S268 PolarHBondContact OD1-OG 2.97Å; D266-S268 PolarHBondContact OD2-OG 2.76Å
267F40Very low38Very low148 Ų148126.1 Ų126.165%0.64965%0.646SS**G310 helixtrans-71.61.9-177.2-72.4-81.7000113.5L265 N269 I270L265-F267 HydrophobicContact CB-CD2 4.5Å; L265-F267 HydrophobicContact CB-CE2 3.97Å; L265-F267 HydrophobicContact CB-CZ 4.07Å; L265-F267 WeakPolarHBondContact O-CD2 3.4Å; L265-F267 WeakPolarHBondContact O-CE2 3.33Å; L265-F267 PolarHBondContact O-N 2.81Å; L265-F267 VanDerWaalsContact O-N 3.12Å; F267-N269 PolarHBondContact O-N 2.74Å; F267-I270 HydrophobicContact CD1-CD1 3.61Å; F267-I270 HydrophobicContact CD1-CG1 4.48Å; F267-I270 HydrophobicContact CE1-CD1 4.08Å; F267-I270 PolarHBondContact O-N 3.05Å
268S34.6Very low39.5Very low72 Ų72121.7 Ų121.750%0.50363%0.627SS.*G310 helixtrans-64.9-21.5-17956.30000114.4D266D266-S268 PolarHBondContact O-N 2.82Å; D266-S268 VanDerWaalsContact O-N 3.14Å; D266-S268 VanDerWaalsContact OD1-CB 3.32Å; D266-S268 WeakPolarHBondContact OD1-CB 3.47Å; D266-S268 PolarHBondContact OD1-N 3.45Å; D266-S268 PolarHBondContact OD1-OG 2.97Å; D266-S268 PolarHBondContact OD2-OG 2.76Å
269N35.2Very low40.7Very low146 Ų146125.8 Ų125.878%0.78163%0.631SS**G310 helixtrans-96.51.5-178.1-75.5-31000115.4F267 Q271F267-N269 PolarHBondContact O-N 2.74Å; N269-Q271 PolarHBondContact O-N 3.41Å
270I39.7Very low42.5Very low86 Ų86124.2 Ų124.244%0.44163%0.628SS.*  trans-88.428.1-177.6-44-167.8000111.8F267 H272 V273F267-I270 HydrophobicContact CD1-CD1 3.61Å; F267-I270 HydrophobicContact CD1-CG1 4.48Å; F267-I270 HydrophobicContact CE1-CD1 4.08Å; F267-I270 PolarHBondContact O-N 3.05Å; I270-H272 PolarHBondContact O-N 3.36Å; I270-V273 HydrophobicContact CB-CG2 4.5Å; I270-V273 HydrophobicContact CG2-CB 3.97Å; I270-V273 HydrophobicContact CG2-CG2 3.43Å; I270-V273 VanDerWaalsContact CG2-CG2 3.43Å
271Q42Very low44.5Very low182 Ų182120.5 Ų120.585%0.8562%0.617SS**THydrogen-bonded Turntrans-78.9-1.9-177.5-132165.10.300113.7N269N269-Q271 PolarHBondContact O-N 3.41Å
272H40.1Very low46.4Very low186 Ų186115.9 Ų115.986%0.86160%0.597SS**THydrogen-bonded Turntrans-142.227.3-177.4-133.2-89.3000114.6I270 S274I270-H272 PolarHBondContact O-N 3.36Å; H272-S274 PolarHBondContact O-N 3.38Å
273V47Very low48.3Very low62 Ų62114.5 Ų114.538%0.37659%0.589SS.*  trans-75.2113.8168.91780000108I270 E275 Q277 L278I270-V273 HydrophobicContact CB-CG2 4.5Å; I270-V273 HydrophobicContact CG2-CB 3.97Å; I270-V273 HydrophobicContact CG2-CG2 3.43Å; I270-V273 VanDerWaalsContact CG2-CG2 3.43Å; V273-E275 PolarHBondContact O-N 2.95Å; V273-Q277 HydrophobicContact CG1-CB 3.8Å; V273-L278 HydrophobicContact CB-CD1 4.33Å; V273-L278 HydrophobicContact CG1-CD1 3.83Å
274S48.7Very low50.2Low56 Ų56108.4 Ų108.439%0.39257%0.566SS.*  trans-55.4139.6178.266.30000110.4H272 L276 Q277 L278H272-S274 PolarHBondContact O-N 3.38Å; S274-L276 PolarHBondContact O-N 3.05Å; S274-Q277 PolarHBondContact O-N 2.99Å; S274-L278 PolarHBondContact O-N 3.37Å
275E52.3Low52Low125 Ų125111.7 Ų111.758%0.58456%0.561SS**Hα-helixtrans-50.7-29.9179-166.1-170.5148.700112.4V273 L278 R279V273-E275 PolarHBondContact O-N 2.95Å; E275-L278 PolarHBondContact O-N 3.45Å; E275-R279 WeakPolarHBondContact O-CG 3.45Å; E275-R279 PolarHBondContact O-N 3.46Å; E275-R279 VanDerWaalsContact O-N 3.12Å; E275-R279 IonicContact OE1-CZ 2.74Å; E275-R279 IonicContact OE1-NE 3.42Å; E275-R279 PolarHBondContact OE1-NE 3.39Å; E275-R279 IonicContact OE1-NH2 3.18Å; E275-R279 PolarHBondContact OE1-NH2 3.31Å
276L54.2Low53.5Low96 Ų96110 Ų11050%0.50355%0.548SS..Hα-helixtrans-67.1-29.6176.5-77.2165.5000114.5S274 P280S274-L276 PolarHBondContact O-N 3.05Å; L276-P280 WeakPolarHBondContact O-CD 3.48Å
277Q60Low55.3Low126 Ų126108.5 Ų108.559%0.58954%0.54SS*.Hα-helixtrans-82.8-32.3174.9-72.8176.4-29.300111.7V273 S274V273-Q277 HydrophobicContact CG1-CB 3.8Å; S274-Q277 PolarHBondContact O-N 2.99Å
278L60.5Low56.5Low55 Ų55103.8 Ų103.829%0.28852%0.524SS..Hα-helixtrans-71.5-35.7-179.9-140.691.2000112V273 S274 E275 L281 L282V273-L278 HydrophobicContact CB-CD1 4.33Å; V273-L278 HydrophobicContact CG1-CD1 3.83Å; S274-L278 PolarHBondContact O-N 3.37Å; E275-L278 PolarHBondContact O-N 3.45Å; L278-L281 WeakPolarHBondContact O-CB 3.49Å; L278-L281 PolarHBondContact O-N 3.09Å; L278-L282 HydrophobicContact CD2-CD1 3.79Å; L278-L282 HydrophobicContact CD2-CG 4.42Å; L278-L282 HydrophobicContact CG-CD1 4.29Å; L278-L282 HydrophobicContact CG-CG 4.49Å; L278-L282 WeakPolarHBondContact O-CB 3.44Å; L278-L282 WeakPolarHBondContact O-CG 3.39Å; L278-L282 PolarHBondContact O-N 3.01Å
279R54.9Low57.4Low158 Ų158101.4 Ų101.460%0.59651%0.511SS*.Hα-helixtrans-59.4-52.5-177-84.5178.6-176.4-117.82.7113.6E275 L281 L282 L283E275-R279 WeakPolarHBondContact O-CG 3.45Å; E275-R279 PolarHBondContact O-N 3.46Å; E275-R279 VanDerWaalsContact O-N 3.12Å; E275-R279 IonicContact OE1-CZ 2.74Å; E275-R279 IonicContact OE1-NE 3.42Å; E275-R279 PolarHBondContact OE1-NE 3.39Å; E275-R279 IonicContact OE1-NH2 3.18Å; E275-R279 PolarHBondContact OE1-NH2 3.31Å; R279-L281 VanDerWaalsContact C-N 3.27Å; R279-L281 PolarHBondContact O-N 3.06Å; R279-L282 PolarHBondContact O-N 3.21Å; R279-L283 VanDerWaalsContact O-CB 3.28Å; R279-L283 WeakPolarHBondContact O-CB 3.49Å; R279-L283 PolarHBondContact O-N 2.79Å
280P69.1Low57.7Low78 Ų78103.1 Ų103.151%0.50651%0.508SS..Hα-helixtrans-61.4-35.5175.2-2332.9000112.7L276 L283 S284L276-P280 WeakPolarHBondContact O-CD 3.48Å; P280-L283 PolarHBondContact O-N 2.99Å; P280-S284 VanDerWaalsContact O-CB 3.27Å; P280-S284 WeakPolarHBondContact O-CB 3.47Å; P280-S284 PolarHBondContact O-N 2.62Å; P280-S284 PolarHBondContact O-OG 3.11Å; P280-S284 VanDerWaalsContact O-OG 3.04Å
281L73.5Confident57.8Low109 Ų109104 Ų10457%0.57151%0.51SS*.Hα-helixtrans-66.6-48.1178.7-175.369.7000111.5L278 R279 L283 S284 W285L278-L281 WeakPolarHBondContact O-CB 3.49Å; L278-L281 PolarHBondContact O-N 3.09Å; R279-L281 VanDerWaalsContact C-N 3.27Å; R279-L281 PolarHBondContact O-N 3.06Å; L281-L283 VanDerWaalsContact C-N 3.34Å; L281-L283 PolarHBondContact O-N 2.87Å; L281-S284 WeakPolarHBondContact CA-OG 3.11Å; L281-S284 PolarHBondContact O-N 2.62Å; L281-S284 PolarHBondContact O-OG 2.84Å; L281-W285 WeakPolarHBondContact O-CB 3.45Å; L281-W285 PolarHBondContact O-N 3.47Å
282L67.6Low58.3Low74 Ų7499.5 Ų99.539%0.38750%0.495SS..Hα-helixtrans-63.8-40.7175.6-72.2173.6000111.8L278 R279 W285 F286L278-L282 HydrophobicContact CD2-CD1 3.79Å; L278-L282 HydrophobicContact CD2-CG 4.42Å; L278-L282 HydrophobicContact CG-CD1 4.29Å; L278-L282 HydrophobicContact CG-CG 4.49Å; L278-L282 WeakPolarHBondContact O-CB 3.44Å; L278-L282 WeakPolarHBondContact O-CG 3.39Å; L278-L282 PolarHBondContact O-N 3.01Å; R279-L282 PolarHBondContact O-N 3.21Å; L282-W285 PolarHBondContact O-N 2.86Å; L282-F286 WeakPolarHBondContact O-CB 3.44Å; L282-F286 PolarHBondContact O-N 3.24Å
283L69.1Low58.3Low106 Ų10693 Ų9356%0.55548%0.479SS*.Hα-helixtrans-63.5-43.9176-175.962.3000111.4R279 P280 L281 F286 I287R279-L283 VanDerWaalsContact O-CB 3.28Å; R279-L283 WeakPolarHBondContact O-CB 3.49Å; R279-L283 PolarHBondContact O-N 2.79Å; P280-L283 PolarHBondContact O-N 2.99Å; L281-L283 VanDerWaalsContact C-N 3.34Å; L281-L283 PolarHBondContact O-N 2.87Å; L283-F286 PolarHBondContact O-N 2.94Å; L283-I287 HydrophobicContact CD1-CD1 4.22Å; L283-I287 HydrophobicContact CG-CD1 3.96Å; L283-I287 WeakPolarHBondContact O-CB 3.46Å; L283-I287 VanDerWaalsContact O-CG1 3.25Å; L283-I287 WeakPolarHBondContact O-CG1 3.34Å; L283-I287 PolarHBondContact O-N 3.35Å
284S70.4Confident58Low48 Ų4898.8 Ų98.834%0.33650%0.499SS..Hα-helixtrans-66.5-43.7177.364.10000112P280 L281 F286 I287 C288P280-S284 VanDerWaalsContact O-CB 3.27Å; P280-S284 WeakPolarHBondContact O-CB 3.47Å; P280-S284 PolarHBondContact O-N 2.62Å; P280-S284 PolarHBondContact O-OG 3.11Å; P280-S284 VanDerWaalsContact O-OG 3.04Å; L281-S284 WeakPolarHBondContact CA-OG 3.11Å; L281-S284 PolarHBondContact O-N 2.62Å; L281-S284 PolarHBondContact O-OG 2.84Å; S284-F286 VanDerWaalsContact C-N 3.32Å; S284-F286 PolarHBondContact O-N 2.86Å; S284-I287 PolarHBondContact O-N 3.45Å; S284-C288 VanDerWaalsContact O-CB 3.26Å; S284-C288 WeakPolarHBondContact O-CB 3.42Å; S284-C288 PolarHBondContact O-N 2.84Å; S284-C288 PolarHBondContact O-SG 3.25Å
285W69.6Low57.4Low179 Ų179106 Ų10668%0.67852%0.519SS*.Hα-helixtrans-58.7-43.1173.5-18071.3000111.8L281 L282 C288 G289L281-W285 WeakPolarHBondContact O-CB 3.45Å; L281-W285 PolarHBondContact O-N 3.47Å; L282-W285 PolarHBondContact O-N 2.86Å; W285-C288 PolarHBondContact O-N 2.66Å; W285-G289 PolarHBondContact O-N 3.32Å
286F64.5Low56.7Low100 Ų100107.8 Ų107.844%0.43953%0.527SS..Hα-helixtrans-63.8-49.2176.3177.7-98.2000112.3F77 L282 L283 S284 C288 G289 Y290F77-F286 HydrophobicContact CE1-CZ 4.38Å; L282-F286 WeakPolarHBondContact O-CB 3.44Å; L282-F286 PolarHBondContact O-N 3.24Å; L283-F286 PolarHBondContact O-N 2.94Å; S284-F286 VanDerWaalsContact C-N 3.32Å; S284-F286 PolarHBondContact O-N 2.86Å; F286-C288 VanDerWaalsContact C-N 3.27Å; F286-C288 PolarHBondContact O-N 2.84Å; F286-G289 PolarHBondContact O-N 3.04Å; F286-G289 VanDerWaalsContact O-N 3.15Å; F286-Y290 HydrophobicContact CZ-CD2 4.32Å; F286-Y290 PolarHBondContact O-N 3.06Å
287I69.2Low55.9Low87 Ų87106.8 Ų106.845%0.44654%0.54SS..Hα-helixtrans-58.2-43.7176.5-69166.5000110L283 S284 Y290 Q291L283-I287 HydrophobicContact CD1-CD1 4.22Å; L283-I287 HydrophobicContact CG-CD1 3.96Å; L283-I287 WeakPolarHBondContact O-CB 3.46Å; L283-I287 VanDerWaalsContact O-CG1 3.25Å; L283-I287 WeakPolarHBondContact O-CG1 3.34Å; L283-I287 PolarHBondContact O-N 3.35Å; S284-I287 PolarHBondContact O-N 3.45Å; I287-Y290 PolarHBondContact O-N 3.47Å; I287-Q291 VanDerWaalsContact O-CB 3.22Å; I287-Q291 WeakPolarHBondContact O-CB 3.46Å; I287-Q291 PolarHBondContact O-N 2.89Å
288C64.7Low54.7Low49 Ų49105 Ų10533%0.33154%0.541SS..Hα-helixtrans-64.2-42176.1-73.80000112.4S284 W285 F286 Y290 Q291 T292S284-C288 VanDerWaalsContact O-CB 3.26Å; S284-C288 WeakPolarHBondContact O-CB 3.42Å; S284-C288 PolarHBondContact O-N 2.84Å; S284-C288 PolarHBondContact O-SG 3.25Å; W285-C288 PolarHBondContact O-N 2.66Å; F286-C288 VanDerWaalsContact C-N 3.27Å; F286-C288 PolarHBondContact O-N 2.84Å; C288-Y290 VanDerWaalsContact C-N 3.33Å; C288-Y290 PolarHBondContact O-N 3.37Å; C288-Q291 PolarHBondContact O-N 2.9Å; C288-T292 WeakPolarHBondContact O-CB 3.4Å; C288-T292 VanDerWaalsContact O-CG2 3.23Å; C288-T292 WeakPolarHBondContact O-CG2 3.5Å; C288-T292 PolarHBondContact O-N 3.04Å; C288-T292 PolarHBondContact O-OG1 3Å
289G54.2Low53.4Low21 Ų21109.7 Ų109.722%0.21657%0.566CS.*Hα-helixtrans-63.3-38.1176.600000112.7W285 F286 T292W285-G289 PolarHBondContact O-N 3.32Å; F286-G289 PolarHBondContact O-N 3.04Å; F286-G289 VanDerWaalsContact O-N 3.15Å; G289-T292 PolarHBondContact O-OG1 2.82Å
290Y40.9Very low52.3Low182 Ų182107.4 Ų107.471%0.71457%0.57SS**Hα-helixtrans-70.5-42174.9-148.8-88000111.6F286 I287 C288 G293F286-Y290 HydrophobicContact CZ-CD2 4.32Å; F286-Y290 PolarHBondContact O-N 3.06Å; I287-Y290 PolarHBondContact O-N 3.47Å; C288-Y290 VanDerWaalsContact C-N 3.33Å; C288-Y290 PolarHBondContact O-N 3.37Å; Y290-G293 PolarHBondContact O-N 2.96Å
291Q42.4Very low50.7Low106 Ų106113.7 Ų113.750%0.49559%0.585SS.*Hα-helixtrans-70.5-32.3-179.9-167.281.6-15.100112.9I287 C288 G293I287-Q291 VanDerWaalsContact O-CB 3.22Å; I287-Q291 WeakPolarHBondContact O-CB 3.46Å; I287-Q291 PolarHBondContact O-N 2.89Å; C288-Q291 PolarHBondContact O-N 2.9Å; Q291-G293 VanDerWaalsContact C-N 3.3Å
292T50.8Low49Very low87 Ų87116 Ų11653%0.53459%0.592SS.*THydrogen-bonded Turntrans-82-6.5179.852.60000113.5C288 G289 F294C288-T292 WeakPolarHBondContact O-CB 3.4Å; C288-T292 VanDerWaalsContact O-CG2 3.23Å; C288-T292 WeakPolarHBondContact O-CG2 3.5Å; C288-T292 PolarHBondContact O-N 3.04Å; C288-T292 PolarHBondContact O-OG1 3Å; G289-T292 PolarHBondContact O-OG1 2.82Å; T292-F294 PolarHBondContact O-N 3.11Å
293G40.8Very low47.4Very low50 Ų50115.2 Ų115.252%0.51560%0.602SS.*THydrogen-bonded Turntrans67.918.1175.200000114.3Y290 Q291 Y295Y290-G293 PolarHBondContact O-N 2.96Å; Q291-G293 VanDerWaalsContact C-N 3.3Å; G293-Y295 PolarHBondContact O-N 2.86Å
294F40.7Very low46.1Very low182 Ų182117 Ų11780%0.79861%0.612SS**  trans-7110.9178.8-92.3-78.5000114.7T292T292-F294 PolarHBondContact O-N 3.11Å
295Y36.8Very low44.3Very low208 Ų208122.2 Ų122.282%0.81664%0.637SS**  trans-102.553.4164.9-82-82.6000111.6G293G293-Y295 PolarHBondContact O-N 2.86Å
296E38Very low42.9Very low163 Ų163123.3 Ų123.376%0.76267%0.671SS**  trans-95.191.4155.3-162.3166.6-156.800107.3S298E296-S298 PolarHBondContact O-N 3.36Å; E296-S298 PolarHBondContact O-OG 3.39Å
297G37.1Very low41.8Very low74 Ų74124.5 Ų124.576%0.76368%0.683SS**  trans-60.785.3167.500000108.6L299G297-L299 VanDerWaalsContact C-N 3.35Å; G297-L299 PolarHBondContact O-N 3.07Å
298S33.4Very low40.4Very low89 Ų89126.4 Ų126.462%0.62270%0.695SS**  trans-6396.7178.1-55.90000107.8E296 T300E296-S298 PolarHBondContact O-N 3.36Å; E296-S298 PolarHBondContact O-OG 3.39Å; S298-T300 PolarHBondContact O-N 2.98Å
299L33.3Very low39Very low153 Ų153130.7 Ų130.780%0.80172%0.716SS**  trans-62.882.1159.6-87.4156.5000107.6G297 Y301G297-L299 VanDerWaalsContact C-N 3.35Å; G297-L299 PolarHBondContact O-N 3.07Å; L299-Y301 HydrophobicContact CD2-CE2 4.44Å; L299-Y301 PolarHBondContact O-N 3.48Å
300T32.5Very low38.1Very low111 Ų111137.2 Ų137.268%0.68175%0.745SS**  trans-75.188.616352.10000107.5S298 H302S298-T300 PolarHBondContact O-N 2.98Å; T300-H302 VanDerWaalsContact C-N 3.3Å; T300-H302 PolarHBondContact O-N 3.15Å
301Y34.9Very low38Very low209 Ų209134.4 Ų134.482%0.8275%0.747SS**  trans-56.698.3153-92.1-94000107.5L299 G303L299-Y301 HydrophobicContact CD2-CE2 4.44Å; L299-Y301 PolarHBondContact O-N 3.48Å; Y301-G303 PolarHBondContact O-N 3.18Å
302H38.2Very low37.7Very low158 Ų158136.3 Ų136.373%0.73176%0.764SS**  trans-79.287.5153.3-97.9-70.6000106.9T300 D304T300-H302 VanDerWaalsContact C-N 3.3Å; T300-H302 PolarHBondContact O-N 3.15Å; H302-D304 IonicContact ND1-OD1 2.76Å; H302-D304 PolarHBondContact O-N 2.98Å
303G33.7Very low36.7Very low58 Ų58139.8 Ų139.860%0.59878%0.78SS**  trans-73.3100.4151.500000107Y301Y301-G303 PolarHBondContact O-N 3.18Å
304D41.3Very low36.4Very low142 Ų142146.7 Ų146.776%0.75980%0.801SS**  trans-91.296.4157.5-76.6-16.1000106.6H302 S306H302-D304 IonicContact ND1-OD1 2.76Å; H302-D304 PolarHBondContact O-N 2.98Å; D304-S306 PolarHBondContact O-N 3.2Å
305D33.8Very low36Very low159 Ų159143.8 Ų143.885%0.8580%0.801SS**  trans-62.4118.1159.4-77.7-37.4000108.8
306S39.7Very low36Very low201 Ų201137.9 Ų137.9100%1.40680%0.799SS**  trans-170.10149.9-71.10000110.4D304D304-S306 PolarHBondContact O-N 3.2Å

Retrieved 306 of 306 residues in 359 ms (Link to these results)

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