A0A077Z0K6_TRITR Loading...

Eukaryotic translation initiation

AlphaFold DB , UniProt , Accession A0A077Z0K6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 287 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
1M38.4Very low72.6Confident227 Ų22757.2 Ų57.2100%1.11835%0.35SS*.  0117.60-79.2-170.1-13000106.5G3M1-G3 PolarHBondContact O-N 3.17Å; M1-G3 VanDerWaalsContact O-N 3.09Å
2I51.1Low74Confident73 Ų7354.2 Ų54.237%0.37433%0.332SS..  trans-65.7110.8170.6-62.5140.3000105F6 V145I2-F6 HydrophobicContact CG2-CB 3.37Å; I2-F6 HydrophobicContact CG2-CD1 4.35Å; I2-F6 HydrophobicContact CG2-CD2 4.41Å; I2-F6 HydrophobicContact CG2-CG 3.83Å; I2-V145 HydrophobicContact CD1-CB 4.38Å; I2-V145 HydrophobicContact CD1-CG1 3.39Å; I2-V145 HydrophobicContact CG1-CG1 4.48Å
3G48.4Very low75.2Confident51 Ų5154.5 Ų54.553%0.52633%0.333SS..  trans-60.2154.1-179.700000110.2M1 G5 F6M1-G3 PolarHBondContact O-N 3.17Å; M1-G3 VanDerWaalsContact O-N 3.09Å; G3-G5 PolarHBondContact O-N 3.48Å; G3-F6 PolarHBondContact O-N 2.97Å; G3-F6 VanDerWaalsContact O-N 3.17Å
4S57.8Low76.4Confident126 Ų12650.6 Ų50.688%0.88131%0.31SS*.THydrogen-bonded Turntrans-556.8177.650.90000116.1
5G71.2Confident77.2Confident43 Ų4348.8 Ų48.844%0.44330%0.297SS..THydrogen-bonded Turntrans-117.411.3179.600000115G3 T7G3-G5 PolarHBondContact O-N 3.48Å; G5-T7 PolarHBondContact O-N 3.49Å
6F80.9Confident77.9Confident25 Ų2551.4 Ų51.411%0.1131%0.308CS..  trans-68.5126.9172.4-171.2-102.9000109.8I2 G3 V8 N46 V48 P124 V126 V145 V165I2-F6 HydrophobicContact CG2-CB 3.37Å; I2-F6 HydrophobicContact CG2-CD1 4.35Å; I2-F6 HydrophobicContact CG2-CD2 4.41Å; I2-F6 HydrophobicContact CG2-CG 3.83Å; G3-F6 PolarHBondContact O-N 2.97Å; G3-F6 VanDerWaalsContact O-N 3.17Å; F6-V8 HydrophobicContact CD1-CG2 4.4Å; F6-V8 HydrophobicContact CE1-CG2 3.75Å; F6-N46 VanDerWaalsContact CA-O 3.31Å; F6-N46 WeakPolarHBondContact CA-O 3.5Å; F6-N46 WeakPolarHBondContact CD2-O 3.39Å; F6-V48 HydrophobicContact CE1-CG2 4.49Å; F6-V48 HydrophobicContact CE2-CG2 3.81Å; F6-V48 HydrophobicContact CZ-CB 3.91Å; F6-V48 HydrophobicContact CZ-CG2 3.4Å; F6-P124 HydrophobicContact CE2-CG 3.68Å; F6-P124 HydrophobicContact CZ-CB 4.28Å; F6-P124 HydrophobicContact CZ-CG 3.67Å; F6-V126 HydrophobicContact CE1-CG2 4.24Å; F6-V126 HydrophobicContact CZ-CG2 4.29Å; F6-V145 HydrophobicContact CD1-CG2 3.78Å; F6-V145 HydrophobicContact CE1-CG2 3.42Å; F6-V145 VanDerWaalsContact CE1-CG2 3.42Å; F6-V145 HydrophobicContact CZ-CG2 4.34Å; F6-V165 HydrophobicContact CD1-CB 4.5Å; F6-V165 HydrophobicContact CD1-CG1 3.62Å; F6-V165 HydrophobicContact CD1-CG2 4.07Å; F6-V165 HydrophobicContact CE1-CG1 4.25Å; F6-V165 VanDerWaalsContact O-CG1 3.24Å; F6-V165 WeakPolarHBondContact O-CG1 3.3Å
7T87.1Confident78.6Confident28 Ų2850.6 Ų50.617%0.17231%0.306CS..EExtended strand (participates in β ladder)trans-124.8138.3-179.755.60000110.6G5 N46 A47 V48 R166G5-T7 PolarHBondContact O-N 3.49Å; T7-N46 PolarHBondContact N-O 3.37Å; T7-A47 CarbonylContact O-C 3.56Å; T7-A47 VanDerWaalsContact O-CA 3.25Å; T7-A47 WeakPolarHBondContact O-CA 3.48Å; T7-A47 WeakPolarHBondContact OG1-CB 3.35Å; T7-V48 PolarHBondContact O-N 2.9Å; T7-R166 HydrophobicContact CG2-CB 4.38Å
8V89.4Confident79.3Confident0 Ų047.8 Ų47.80%029%0.289CS..EExtended strand (participates in β ladder)trans-105.5116.3174.21760000107.6F6 V10 V50 V126 A143 V165 R166 L167 Q168F6-V8 HydrophobicContact CD1-CG2 4.4Å; F6-V8 HydrophobicContact CE1-CG2 3.75Å; V8-V10 HydrophobicContact CG1-CG2 3.75Å; V8-V50 HydrophobicContact CG1-CG2 4.1Å; V8-V126 HydrophobicContact CG1-CG1 4.18Å; V8-V126 HydrophobicContact CG2-CG1 3.94Å; V8-V126 HydrophobicContact CG2-CG2 4.04Å; V8-A143 HydrophobicContact CB-CB 4.13Å; V8-A143 HydrophobicContact CG1-CB 4.28Å; V8-A143 HydrophobicContact CG2-CB 4.24Å; V8-V165 HydrophobicContact CB-CG1 4.49Å; V8-V165 HydrophobicContact CG2-CG1 3.85Å; V8-R166 PolarHBondContact N-O 3.18Å; V8-L167 CarbonylContact O-C 3.41Å; V8-L167 WeakPolarHBondContact O-CA 3.17Å; V8-Q168 PolarHBondContact O-N 2.99Å
9R91.6Very high79.7Confident42 Ų4248.1 Ų48.116%0.15829%0.291CS..EExtended strand (participates in β ladder)trans-98.7118.7178.7-56.6178.4-42.8-179.9-4107.3E44 V48 E49 V50 Q168 I170R9-E44 IonicContact CZ-OE1 3.3Å; R9-E44 IonicContact CZ-OE2 2.67Å; R9-E44 IonicContact NH1-OE1 3.53Å; R9-E44 IonicContact NH1-OE2 2.69Å; R9-E44 PolarHBondContact NH1-OE2 2.9Å; R9-E44 IonicContact NH2-OE1 3.65Å; R9-E44 PolarHBondContact NH2-OE1 3.37Å; R9-E44 IonicContact NH2-OE2 2.73Å; R9-E44 PolarHBondContact NH2-OE2 3.17Å; R9-V48 PolarHBondContact N-O 3.37Å; R9-E49 HydrophobicContact CB-CG 4.4Å; R9-E49 IonicContact CZ-OE2 3.41Å; R9-E49 IonicContact NH2-OE2 3.16Å; R9-E49 PolarHBondContact NH2-OE2 2.87Å; R9-E49 CarbonylContact O-C 3.46Å; R9-E49 WeakPolarHBondContact O-CA 3.28Å; R9-V50 PolarHBondContact O-N 3.05Å; R9-Q168 CarbonylContact C-O 3.49Å; R9-Q168 VanDerWaalsContact CA-O 3.25Å; R9-Q168 WeakPolarHBondContact CA-O 3.42Å; R9-Q168 HydrophobicContact CG-CB 4.46Å; R9-I170 HydrophobicContact CB-CD1 3.7Å; R9-I170 HydrophobicContact CB-CG1 4.11Å; R9-I170 HydrophobicContact CG-CD1 3.59Å; R9-I170 HydrophobicContact CG-CG1 4.37Å
10V91.7Very high80.1Confident0 Ų049.3 Ų49.30%030%0.295CS..EExtended strand (participates in β ladder)trans-116.8129.3-175.7-175.40000109.6V8 V14 I15 V50 L128 L167 Q168 L169 I170V8-V10 HydrophobicContact CG1-CG2 3.75Å; V10-V14 HydrophobicContact CG1-CB 3.99Å; V10-V14 HydrophobicContact CG1-CG1 4.2Å; V10-V14 HydrophobicContact CG1-CG2 4.42Å; V10-I15 HydrophobicContact CG1-CG1 4.34Å; V10-V50 HydrophobicContact CG2-CB 4.44Å; V10-V50 HydrophobicContact CG2-CG2 4.46Å; V10-L128 HydrophobicContact CG1-CD1 4.24Å; V10-L128 HydrophobicContact CG2-CD1 3.75Å; V10-L167 HydrophobicContact CG2-CD1 3.78Å; V10-L167 HydrophobicContact CG2-CG 4.2Å; V10-Q168 PolarHBondContact N-O 2.93Å; V10-L169 HydrophobicContact CB-CD2 4.2Å; V10-L169 WeakPolarHBondContact O-CA 3.37Å; V10-I170 PolarHBondContact O-N 3.49Å
11H91.4Very high80.4Confident14 Ų1448.1 Ų48.17%0.06529%0.289CS..  trans-76.5140.1171.7-79.5-98.7000111.5V13 V14 E49 V50 I170 E175H11-V13 PolarHBondContact O-N 3.16Å; H11-V13 VanDerWaalsContact O-N 3.13Å; H11-V14 HydrophobicContact CB-CG2 4.25Å; H11-V14 VanDerWaalsContact O-CB 3.27Å; H11-V14 WeakPolarHBondContact O-CB 3.45Å; H11-V14 PolarHBondContact O-N 3.17Å; H11-E49 IonicContact NE2-OE1 3.97Å; H11-E49 PolarHBondContact NE2-OE1 2.82Å; H11-E49 VanDerWaalsContact NE2-OE1 3.16Å; H11-V50 PolarHBondContact CD2-O 3.02Å; H11-V50 PolarHBondContact N-O 3.45Å; H11-I170 WeakPolarHBondContact CA-O 3.33Å; H11-I170 PolarHBondContact ND1-O 3.34Å; H11-E175 IonicContact CE1-OE2 3.04Å; H11-E175 IonicContact CG-OE1 3.62Å; H11-E175 IonicContact CG-OE2 2.92Å; H11-E175 IonicContact ND1-OE1 3.26Å; H11-E175 PolarHBondContact ND1-OE1 3.23Å; H11-E175 IonicContact ND1-OE2 3.4Å; H11-E175 PolarHBondContact ND1-OE2 2.91Å
12P88.7Confident82.6Confident21 Ų2138.4 Ų38.414%0.13624%0.24CC..Hα-helixtrans-58-27.5177.8-26.534.6000114.2V14 I15 L16 I170 A171 L179P12-V14 PolarHBondContact O-N 2.93Å; P12-I15 PolarHBondContact O-N 3.36Å; P12-I15 VanDerWaalsContact O-N 3.13Å; P12-L16 PolarHBondContact O-N 2.94Å; P12-I170 WeakPolarHBondContact CD-O 3.46Å; P12-A171 HydrophobicContact CG-CB 3.81Å; P12-L179 HydrophobicContact CB-CD1 3.59Å; P12-L179 HydrophobicContact CB-CD2 4.26Å; P12-L179 HydrophobicContact CG-CD1 3.67Å
13V90.1Very high84.2Confident58 Ų5841.3 Ų41.335%0.35225%0.252SS..Hα-helixtrans-58.2-36.6175.5175.40000111.5H11 L16 S17 E175H11-V13 PolarHBondContact O-N 3.16Å; H11-V13 VanDerWaalsContact O-N 3.13Å; V13-L16 PolarHBondContact O-N 3.33Å; V13-S17 WeakPolarHBondContact O-CB 3.38Å; V13-S17 PolarHBondContact O-N 3.49Å; V13-S17 PolarHBondContact O-OG 3.49Å; V13-E175 HydrophobicContact CG2-CG 4.07Å; V13-E175 WeakPolarHBondContact CG2-OE1 3.35Å
14V91.1Very high85.7Confident0 Ų047.7 Ų47.70%026%0.261CS..Hα-helixtrans-63.2-45177.3-179.30000110V10 H11 P12 S17 I18 L39 V50 V51 C53V10-V14 HydrophobicContact CG1-CB 3.99Å; V10-V14 HydrophobicContact CG1-CG1 4.2Å; V10-V14 HydrophobicContact CG1-CG2 4.42Å; H11-V14 HydrophobicContact CB-CG2 4.25Å; H11-V14 VanDerWaalsContact O-CB 3.27Å; H11-V14 WeakPolarHBondContact O-CB 3.45Å; H11-V14 PolarHBondContact O-N 3.17Å; P12-V14 PolarHBondContact O-N 2.93Å; V14-S17 PolarHBondContact O-N 2.95Å; V14-I18 HydrophobicContact CG1-CD1 3.89Å; V14-I18 HydrophobicContact CG1-CG1 4.45Å; V14-I18 WeakPolarHBondContact O-CG1 3.34Å; V14-I18 PolarHBondContact O-N 3.28Å; V14-L39 HydrophobicContact CG1-CD2 3.99Å; V14-V50 HydrophobicContact CG1-CG1 3.95Å; V14-V50 HydrophobicContact CG2-CG1 3.91Å; V14-V51 VanDerWaalsContact CG2-C 3.48Å; V14-V51 WeakPolarHBondContact CG2-O 3.21Å; V14-C53 HydrophobicContact CG1-CB 3.96Å; V14-C53 PolarHBondContact O-SG 3.16Å; V14-C53 VanDerWaalsContact O-SG 3.42Å
15I88.9Confident86.4Confident24 Ų2444.8 Ų44.812%0.12323%0.23CC..Hα-helixtrans-64.5-47.3-179.4-59.7163.7000110.1V10 P12 S17 I18 V19 I141 L169V10-I15 HydrophobicContact CG1-CG1 4.34Å; P12-I15 PolarHBondContact O-N 3.36Å; P12-I15 VanDerWaalsContact O-N 3.13Å; I15-S17 VanDerWaalsContact C-N 3.27Å; I15-S17 PolarHBondContact O-N 3.37Å; I15-I18 PolarHBondContact O-N 2.9Å; I15-V19 WeakPolarHBondContact O-CG2 3.35Å; I15-V19 PolarHBondContact O-N 3.4Å; I15-I141 HydrophobicContact CD1-CD1 3.36Å; I15-I141 HydrophobicContact CG1-CD1 3.75Å; I15-I141 HydrophobicContact CG2-CD1 4.3Å; I15-L169 HydrophobicContact CD1-CD2 3.53Å
16L88.1Confident85.8Confident91 Ų9150.9 Ų50.948%0.47625%0.247SC..Hα-helixtrans-59.6-39.5177.1-69.4174.5000111.9P12 V13 V19 D20 L179P12-L16 PolarHBondContact O-N 2.94Å; V13-L16 PolarHBondContact O-N 3.33Å; L16-V19 PolarHBondContact O-N 2.92Å; L16-D20 WeakPolarHBondContact O-CB 3.38Å; L16-D20 PolarHBondContact O-N 3.1Å; L16-L179 HydrophobicContact CD1-CD2 3.96Å
17S90.8Very high84.6Confident38 Ų3855.5 Ų55.527%0.26628%0.283SS..Hα-helixtrans-69.6-36.3177.5-57.90000112.3V13 V14 I15 D20 S21 C53V13-S17 WeakPolarHBondContact O-CB 3.38Å; V13-S17 PolarHBondContact O-N 3.49Å; V13-S17 PolarHBondContact O-OG 3.49Å; V14-S17 PolarHBondContact O-N 2.95Å; I15-S17 VanDerWaalsContact C-N 3.27Å; I15-S17 PolarHBondContact O-N 3.37Å; S17-D20 PolarHBondContact O-N 2.89Å; S17-S21 WeakPolarHBondContact O-CB 3.35Å; S17-S21 PolarHBondContact O-N 3.11Å; S17-C53 VanDerWaalsContact CB-SG 3.5Å
18I90.3Very high82.6Confident0 Ų065.2 Ų65.20%032%0.316CS..Hα-helixtrans-63.9-46.2173.2-68.3169.1000110.1V14 I15 S21 Y22 Y92 T94 L128 V130V14-I18 HydrophobicContact CG1-CD1 3.89Å; V14-I18 HydrophobicContact CG1-CG1 4.45Å; V14-I18 WeakPolarHBondContact O-CG1 3.34Å; V14-I18 PolarHBondContact O-N 3.28Å; I15-I18 PolarHBondContact O-N 2.9Å; I18-S21 PolarHBondContact O-N 3.34Å; I18-S21 PolarHBondContact O-OG 2.91Å; I18-Y22 PolarHBondContact O-N 3.27Å; I18-Y92 HydrophobicContact CB-CD2 4.3Å; I18-Y92 HydrophobicContact CB-CE2 4.12Å; I18-Y92 HydrophobicContact CD1-CD1 4.19Å; I18-Y92 HydrophobicContact CD1-CD2 3.93Å; I18-Y92 HydrophobicContact CD1-CE2 4.45Å; I18-Y92 HydrophobicContact CD1-CG 3.77Å; I18-Y92 HydrophobicContact CG1-CD1 4.04Å; I18-Y92 HydrophobicContact CG1-CD2 3.65Å; I18-Y92 HydrophobicContact CG1-CE1 4.03Å; I18-Y92 HydrophobicContact CG1-CE2 3.67Å; I18-Y92 HydrophobicContact CG1-CG 3.83Å; I18-Y92 HydrophobicContact CG2-CD2 3.77Å; I18-Y92 HydrophobicContact CG2-CE2 3.76Å; I18-T94 HydrophobicContact CG2-CG2 3.59Å; I18-L128 HydrophobicContact CD1-CD2 3.92Å; I18-V130 HydrophobicContact CD1-CG2 3.74Å; I18-V130 HydrophobicContact CG2-CB 4.08Å; I18-V130 HydrophobicContact CG2-CG1 4.45Å; I18-V130 HydrophobicContact CG2-CG2 3.89Å
19V87.6Confident80.3Confident53 Ų5369.1 Ų69.132%0.32136%0.357SS..Hα-helixtrans-64.1-42.9177.4175.40000111.1I15 L16 S21 Y22 E23I15-V19 WeakPolarHBondContact O-CG2 3.35Å; I15-V19 PolarHBondContact O-N 3.4Å; L16-V19 PolarHBondContact O-N 2.92Å; V19-S21 VanDerWaalsContact C-N 3.29Å; V19-S21 PolarHBondContact O-N 2.9Å; V19-Y22 WeakPolarHBondContact O-CB 3.3Å; V19-Y22 PolarHBondContact O-N 3.41Å; V19-Y22 VanDerWaalsContact O-N 3.08Å; V19-E23 HydrophobicContact CG1-CG 4.49Å; V19-E23 PolarHBondContact O-N 2.86Å
20D88.3Confident77.9Confident71 Ų7169.6 Ų69.638%0.3838%0.375SS..Hα-helixtrans-59.3-41.2173.4-177.955.9000111.2L16 S17 Y22 E23 R24L16-D20 WeakPolarHBondContact O-CB 3.38Å; L16-D20 PolarHBondContact O-N 3.1Å; S17-D20 PolarHBondContact O-N 2.89Å; D20-Y22 VanDerWaalsContact C-N 3.29Å; D20-Y22 PolarHBondContact O-N 3.49Å; D20-E23 PolarHBondContact O-N 2.87Å; D20-R24 VanDerWaalsContact CG-NE 3.25Å; D20-R24 WeakPolarHBondContact O-CB 3.45Å; D20-R24 VanDerWaalsContact O-CG 3.26Å; D20-R24 WeakPolarHBondContact O-CG 3.43Å; D20-R24 PolarHBondContact O-N 2.91Å; D20-R24 IonicContact OD1-CZ 3.3Å; D20-R24 IonicContact OD1-NE 2.87Å; D20-R24 PolarHBondContact OD1-NE 3.14Å; D20-R24 IonicContact OD1-NH2 3.16Å; D20-R24 PolarHBondContact OD1-NH2 3.44Å; D20-R24 IonicContact OD2-CZ 3.79Å; D20-R24 VanDerWaalsContact OD2-CZ 3.26Å; D20-R24 IonicContact OD2-NE 3.77Å; D20-R24 PolarHBondContact OD2-NE 2.93Å; D20-R24 IonicContact OD2-NH2 3.96Å; D20-R24 PolarHBondContact OD2-NH2 3.34Å
21S86.2Confident75.8Confident25 Ų2575.4 Ų75.418%0.17541%0.414CS..Hα-helixtrans-66-30.3175.778.90000113.3S17 I18 V19 Y92S17-S21 WeakPolarHBondContact O-CB 3.35Å; S17-S21 PolarHBondContact O-N 3.11Å; I18-S21 PolarHBondContact O-N 3.34Å; I18-S21 PolarHBondContact O-OG 2.91Å; V19-S21 VanDerWaalsContact C-N 3.29Å; V19-S21 PolarHBondContact O-N 2.9Å; S21-Y92 PolarHBondContact OG-OH 3.45Å
22Y84.8Confident74.1Confident23 Ų2377 Ų779%0.0943%0.426CS..Hα-helixtrans-74-42.1174.8-176.6-93.9000111.9I18 V19 D20 R25 T94 V132 N133I18-Y22 PolarHBondContact O-N 3.27Å; V19-Y22 WeakPolarHBondContact O-CB 3.3Å; V19-Y22 PolarHBondContact O-N 3.41Å; V19-Y22 VanDerWaalsContact O-N 3.08Å; D20-Y22 VanDerWaalsContact C-N 3.29Å; D20-Y22 PolarHBondContact O-N 3.49Å; Y22-R25 VanDerWaalsContact CD2-NH2 3.26Å; Y22-R25 WeakPolarHBondContact O-CB 3.47Å; Y22-R25 VanDerWaalsContact O-CG 3.29Å; Y22-R25 WeakPolarHBondContact O-CG 3.46Å; Y22-R25 PolarHBondContact O-N 2.95Å; Y22-R25 PolarHBondContact O-NE 3.41Å; Y22-R25 PolarHBondContact OH-NH2 2.89Å; Y22-T94 HydrophobicContact CD2-CG2 3.91Å; Y22-T94 VanDerWaalsContact CD2-OG1 3.29Å; Y22-T94 WeakPolarHBondContact CD2-OG1 3.48Å; Y22-V132 HydrophobicContact CD1-CB 4.09Å; Y22-V132 HydrophobicContact CD1-CG1 3.56Å; Y22-V132 HydrophobicContact CD1-CG2 4.16Å; Y22-V132 HydrophobicContact CD2-CB 4.28Å; Y22-V132 HydrophobicContact CD2-CG2 3.81Å; Y22-V132 HydrophobicContact CE1-CB 3.77Å; Y22-V132 HydrophobicContact CE1-CG1 3.39Å; Y22-V132 HydrophobicContact CE1-CG2 4.27Å; Y22-V132 HydrophobicContact CE2-CB 3.95Å; Y22-V132 HydrophobicContact CE2-CG1 4.46Å; Y22-V132 HydrophobicContact CE2-CG2 3.91Å; Y22-V132 HydrophobicContact CG-CB 4.33Å; Y22-V132 HydrophobicContact CG-CG1 4.18Å; Y22-V132 HydrophobicContact CG-CG2 3.92Å; Y22-N133 PolarHBondContact OH-OD1 2.85Å
23E83.5Confident73.2Confident134 Ų13482.2 Ų82.263%0.62645%0.453SS*.Hα-helixtrans-70.5-37.3178.7-75.2-61.9133.800112.4V19 D20 R25V19-E23 HydrophobicContact CG1-CG 4.49Å; V19-E23 PolarHBondContact O-N 2.86Å; D20-E23 PolarHBondContact O-N 2.87Å; E23-R25 PolarHBondContact O-N 2.94Å; E23-R25 VanDerWaalsContact O-N 3.12Å
24R80.7Confident72.6Confident185 Ų18580.7 Ų80.770%0.69844%0.442SS*.THydrogen-bonded Turntrans-71.7-1.7179.1-73.1-178-170.2-144.112.3115D20 E26D20-R24 VanDerWaalsContact CG-NE 3.25Å; D20-R24 WeakPolarHBondContact O-CB 3.45Å; D20-R24 VanDerWaalsContact O-CG 3.26Å; D20-R24 WeakPolarHBondContact O-CG 3.43Å; D20-R24 PolarHBondContact O-N 2.91Å; D20-R24 IonicContact OD1-CZ 3.3Å; D20-R24 IonicContact OD1-NE 2.87Å; D20-R24 PolarHBondContact OD1-NE 3.14Å; D20-R24 IonicContact OD1-NH2 3.16Å; D20-R24 PolarHBondContact OD1-NH2 3.44Å; D20-R24 IonicContact OD2-CZ 3.79Å; D20-R24 VanDerWaalsContact OD2-CZ 3.26Å; D20-R24 IonicContact OD2-NE 3.77Å; D20-R24 PolarHBondContact OD2-NE 2.93Å; D20-R24 IonicContact OD2-NH2 3.96Å; D20-R24 PolarHBondContact OD2-NH2 3.34Å; R24-E26 PolarHBondContact O-N 3.43Å
25R71.8Confident72.2Confident65 Ų6581 Ų8125%0.24545%0.445CS..SBendtrans-55.1131.7-179.3-74.3-180-62.2-179.39.8109.4Y22 E23 S27 N33Y22-R25 VanDerWaalsContact CD2-NH2 3.26Å; Y22-R25 WeakPolarHBondContact O-CB 3.47Å; Y22-R25 VanDerWaalsContact O-CG 3.29Å; Y22-R25 WeakPolarHBondContact O-CG 3.46Å; Y22-R25 PolarHBondContact O-N 2.95Å; Y22-R25 PolarHBondContact O-NE 3.41Å; Y22-R25 PolarHBondContact OH-NH2 2.89Å; E23-R25 PolarHBondContact O-N 2.94Å; E23-R25 VanDerWaalsContact O-N 3.12Å; R25-S27 VanDerWaalsContact C-N 3.32Å; R25-S27 PolarHBondContact O-N 3.35Å; R25-S27 PolarHBondContact O-OG 2.78Å; R25-N33 PolarHBondContact NH1-O 2.94Å
26E58.9Low72.1Confident171 Ų17180.3 Ų80.380%0.79944%0.441SS*.  trans-60.1100.7172.2-69.7-175.5178.700107.3R24 R28R24-E26 PolarHBondContact O-N 3.43Å; E26-R28 PolarHBondContact O-N 3.36Å
27S55.1Low72.2Confident123 Ų12376 Ų7686%0.8642%0.418SS*.  trans-65.819.8177.4-39.10000112.7R25 G29R25-S27 VanDerWaalsContact C-N 3.32Å; R25-S27 PolarHBondContact O-N 3.35Å; R25-S27 PolarHBondContact O-OG 2.78Å; S27-G29 PolarHBondContact O-N 3.34Å
28R45.6Very low72.2Confident231 Ų23174.2 Ų74.287%0.87241%0.406SS*.SBendtrans-91.268-179.2-73.4-175.2172.2-175.4-1.3110.6E26E26-R28 PolarHBondContact O-N 3.36Å
29G41.9Very low72.3Confident82 Ų8274.2 Ų74.285%0.84541%0.406SS*.SBendtrans71.548.7138.800000119.4S27S27-G29 PolarHBondContact O-N 3.34Å
30G40.3Very low72.5Confident53 Ų5371.7 Ų71.755%0.54639%0.391SS..SBendtrans-171.8114.3165.400000114.6C32G30-C32 PolarHBondContact O-N 2.97Å
31C48.1Very low72.7Confident122 Ų12268.3 Ų68.382%0.82437%0.373SS*.SBendtrans36.9-11.7157.854.70000123.3N33C31-N33 PolarHBondContact O-N 3.32Å
32C56.2Low72.8Confident46 Ų4670.6 Ų70.631%0.31138%0.378SS..  trans-99.569.1-169.6-61.60000110.3G30 K34 Y58G30-C32 PolarHBondContact O-N 2.97Å; C32-K34 PolarHBondContact O-N 2.96Å; C32-Y58 WeakPolarHBondContact CB-OH 3.47Å
33N68.4Low72.8Confident132 Ų13271.8 Ų71.871%0.70638%0.382SS*.  trans-72.717.1176-80.8-3000113.6R25 C31R25-N33 PolarHBondContact NH1-O 2.94Å; C31-N33 PolarHBondContact O-N 3.32Å
34K77.4Confident72.8Confident25 Ų2570 Ų7011%0.10937%0.374CS..  trans-121.8142.1-175-47.4-175169.1-174.90109C32 Y58 S95 E97C32-K34 PolarHBondContact O-N 2.96Å; K34-Y58 VanDerWaalsContact C-OH 3.29Å; K34-Y58 WeakPolarHBondContact CB-OH 3.36Å; K34-Y58 WeakPolarHBondContact O-CE1 3.43Å; K34-Y58 PolarHBondContact O-OH 3.48Å; K34-S95 WeakPolarHBondContact CD-OG 3.4Å; K34-S95 WeakPolarHBondContact CE-OG 3.42Å; K34-S95 WeakPolarHBondContact CG-OG 3.35Å; K34-E97 PolarHBondContact NZ-O 3.37Å
35A82.7Confident72.7Confident8 Ų871.4 Ų71.47%0.06639%0.385CS..  trans-106.4134163.100000107.3S93 T94A35-S93 WeakPolarHBondContact O-CA 3.49Å; A35-T94 HydrophobicContact CB-CG2 3.73Å; A35-T94 PolarHBondContact N-OG1 2.92Å; A35-T94 PolarHBondContact O-N 2.81Å; A35-T94 VanDerWaalsContact O-N 3.14Å
36I87.5Confident73.2Confident9 Ų973.9 Ų73.95%0.04640%0.404CS..EExtended strand (participates in β ladder)trans-123139.8179.4-62.4179.1000107.4V56 Y58 W91 Y92 F105I36-V56 PolarHBondContact O-N 3.19Å; I36-Y58 HydrophobicContact CB-CD1 3.79Å; I36-Y58 HydrophobicContact CB-CE1 4.12Å; I36-Y58 HydrophobicContact CB-CG 4.28Å; I36-Y58 HydrophobicContact CD1-CD1 4.12Å; I36-Y58 HydrophobicContact CD1-CD2 3.9Å; I36-Y58 HydrophobicContact CD1-CE1 4.22Å; I36-Y58 HydrophobicContact CD1-CE2 3.99Å; I36-Y58 HydrophobicContact CD1-CG 3.97Å; I36-Y58 HydrophobicContact CG1-CD1 4.06Å; I36-Y58 HydrophobicContact CG1-CE1 4Å; I36-Y58 HydrophobicContact CG1-CG 4.4Å; I36-W91 HydrophobicContact CG2-CE3 4.19Å; I36-Y92 WeakPolarHBondContact CA-O 3.48Å; I36-F105 HydrophobicContact CD1-CD2 3.8Å; I36-F105 HydrophobicContact CD1-CE1 4.21Å; I36-F105 HydrophobicContact CD1-CE2 3.19Å; I36-F105 HydrophobicContact CD1-CZ 3.39Å
37G89.8Confident74.5Confident0 Ų066.2 Ų66.20%037%0.369CS..EExtended strand (participates in β ladder)trans-158.9177.3175.100000112.9Y54 W91 Y92G37-Y54 CarbonylContact C-O 3.58Å; G37-Y54 WeakPolarHBondContact CA-O 3.34Å; G37-W91 CarbonylContact O-C 3.02Å; G37-W91 WeakPolarHBondContact O-CA 3.43Å; G37-W91 VanDerWaalsContact O-CB 3.29Å; G37-W91 WeakPolarHBondContact O-CB 3.25Å; G37-Y92 VanDerWaalsContact C-CE1 3.44Å; G37-Y92 PolarHBondContact N-O 2.98Å; G37-Y92 WeakPolarHBondContact O-CD1 3.05Å; G37-Y92 PolarHBondContact O-N 3.28Å
38T91.8Very high76.1Confident0 Ų060.4 Ų60.40%033%0.328CS..EExtended strand (participates in β ladder)trans-96.4138-177.9-53.30000109.9C53 Y54 V56 N72 I88 Y109T38-C53 VanDerWaalsContact O-CA 3.3Å; T38-C53 WeakPolarHBondContact O-CA 3.3Å; T38-C53 WeakPolarHBondContact O-CB 3.42Å; T38-Y54 VanDerWaalsContact CB-CZ 3.5Å; T38-Y54 HydrophobicContact CG2-CE1 4.22Å; T38-Y54 PolarHBondContact N-O 3.07Å; T38-Y54 PolarHBondContact O-N 3.01Å; T38-Y54 VanDerWaalsContact O-N 3.12Å; T38-V56 WeakPolarHBondContact OG1-CG2 3.41Å; T38-N72 PolarHBondContact OG1-OD1 3.14Å; T38-I88 HydrophobicContact CG2-CB 4.44Å; T38-I88 HydrophobicContact CG2-CG1 4.13Å; T38-I88 HydrophobicContact CG2-CG2 3.68Å; T38-Y109 HydrophobicContact CG2-CE1 3.8Å; T38-Y109 WeakPolarHBondContact OG1-CE1 3.4Å; T38-Y109 PolarHBondContact OG1-OH 3.45Å
39L92.5Very high78.2Confident0 Ų051.1 Ų51.10%030%0.295CS..EExtended strand (participates in β ladder)trans-95.6131.5173.2-64.2176.7000110V14 V50 C53 V89 G90 W91 Y92 L128V14-L39 HydrophobicContact CG1-CD2 3.99Å; L39-V50 HydrophobicContact CB-CG1 4.1Å; L39-V50 HydrophobicContact CD2-CG1 3.85Å; L39-V50 HydrophobicContact CG-CG1 4.38Å; L39-C53 HydrophobicContact CD2-CB 3.84Å; L39-V89 PolarHBondContact O-N 3.09Å; L39-G90 PolarHBondContact N-O 3.06Å; L39-W91 WeakPolarHBondContact CD1-O 3.5Å; L39-Y92 HydrophobicContact CD2-CD1 3.67Å; L39-Y92 HydrophobicContact CD2-CG 4.25Å; L39-Y92 HydrophobicContact CG-CD1 4.2Å; L39-L128 HydrophobicContact CD1-CB 3.69Å; L39-L128 HydrophobicContact CD1-CD1 4.4Å
40L91.6Very high80.6Confident1 Ų147.2 Ų47.21%0.00526%0.255CS..EExtended strand (participates in β ladder)trans-114.1142.7177.2-64.3175.8000110.6V51 N52 Y54 F76 N79 E86 S87 I88L40-V51 PolarHBondContact O-N 3.15Å; L40-V51 VanDerWaalsContact O-N 3.08Å; L40-N52 WeakPolarHBondContact CA-O 3.28Å; L40-N52 HydrophobicContact CB-CB 4.23Å; L40-N52 PolarHBondContact N-O 3.37Å; L40-N52 PolarHBondContact O-N 3.33Å; L40-N52 VanDerWaalsContact O-O 3.04Å; L40-Y54 HydrophobicContact CD1-CD1 3.77Å; L40-Y54 HydrophobicContact CD1-CE1 3.7Å; L40-Y54 HydrophobicContact CD2-CE1 4.08Å; L40-Y54 HydrophobicContact CG-CD1 4.2Å; L40-Y54 HydrophobicContact CG-CE1 3.9Å; L40-F76 HydrophobicContact CD2-CD2 3.97Å; L40-F76 HydrophobicContact CD2-CE2 4.16Å; L40-N79 HydrophobicContact CD1-CB 3.84Å; L40-N79 WeakPolarHBondContact CD1-ND2 3.5Å; L40-E86 HydrophobicContact CB-CB 4.44Å; L40-S87 WeakPolarHBondContact CA-O 3.39Å; L40-I88 HydrophobicContact CD2-CG1 3.95Å
41G91.2Very high83Confident0 Ų046.2 Ų46.20%024%0.238CC..EExtended strand (participates in β ladder)trans172.7-161.9-178.600000114.3E49 S87G41-E49 CarbonylContact C-O 3.51Å; G41-E49 WeakPolarHBondContact CA-O 3.34Å; G41-S87 PolarHBondContact N-O 3.34Å; G41-S87 PolarHBondContact O-N 2.87Å; G41-S87 PolarHBondContact O-OG 3.26Å
42Y88.8Confident85.1Confident73 Ų7342.2 Ų42.229%0.28621%0.208SC..EExtended strand (participates in β ladder)trans-120.6141.2-176-41.6-63.6000110.6E49 V51 H85 E86Y42-E49 PolarHBondContact N-O 3.26Å; Y42-E49 PolarHBondContact O-N 2.91Å; Y42-V51 HydrophobicContact CD2-CG2 3.97Å; Y42-V51 HydrophobicContact CE2-CG2 3.57Å; Y42-H85 HydrophobicContact CD1-CB 4.17Å; Y42-H85 WeakPolarHBondContact CD1-O 3.31Å; Y42-H85 HydrophobicContact CE1-CB 3.39Å; Y42-H85 WeakPolarHBondContact CE1-O 3.41Å; Y42-E86 HydrophobicContact CE1-CB 4.44Å; Y42-E86 HydrophobicContact CE1-CG 3.94Å
43Y86Confident86.8Confident47 Ų4740.3 Ų40.318%0.18420%0.196CC..EExtended strand (participates in β ladder)trans-93111.8171-72.4-84.1000109.8V48 V89 P124Y43-V48 HydrophobicContact CD1-CG2 3.41Å; Y43-V48 VanDerWaalsContact CD1-CG2 3.41Å; Y43-V48 HydrophobicContact CE1-CG2 3.6Å; Y43-V48 HydrophobicContact CG-CG2 4.36Å; Y43-V89 HydrophobicContact CD2-CG2 4.29Å; Y43-V89 HydrophobicContact CE2-CB 4.43Å; Y43-V89 HydrophobicContact CE2-CG2 3.88Å; Y43-V89 WeakPolarHBondContact OH-CA 3.46Å; Y43-V89 PolarHBondContact OH-O 3.18Å; Y43-P124 HydrophobicContact CE1-CG 4.33Å; Y43-P124 WeakPolarHBondContact CE1-O 3.36Å; Y43-P124 PolarHBondContact OH-O 2.95Å
44E83.2Confident87.9Confident96 Ų9634.6 Ų34.645%0.44916%0.164SC..  trans-92.8163.4162.2-67.7-173.8-179.900110.3R9 N46 A47R9-E44 IonicContact CZ-OE1 3.3Å; R9-E44 IonicContact CZ-OE2 2.67Å; R9-E44 IonicContact NH1-OE1 3.53Å; R9-E44 IonicContact NH1-OE2 2.69Å; R9-E44 PolarHBondContact NH1-OE2 2.9Å; R9-E44 IonicContact NH2-OE1 3.65Å; R9-E44 PolarHBondContact NH2-OE1 3.37Å; R9-E44 IonicContact NH2-OE2 2.73Å; R9-E44 PolarHBondContact NH2-OE2 3.17Å; E44-N46 VanDerWaalsContact C-N 3.26Å; E44-N46 PolarHBondContact O-N 2.84Å; E44-A47 CarbonylContact C-O 3.51Å; E44-A47 VanDerWaalsContact CA-O 3.31Å; E44-A47 WeakPolarHBondContact CA-O 3.25Å; E44-A47 HydrophobicContact CB-CB 4.32Å; E44-A47 WeakPolarHBondContact CB-O 3.48Å; E44-A47 PolarHBondContact N-O 3.44Å; E44-A47 PolarHBondContact O-N 3.39Å
45K79.1Confident88.4Confident215 Ų21535.3 Ų35.394%0.93518%0.179SC*.SBendtrans-47.6-44.7-169.9-67.2179.1-179.91760113.9
46N81.5Confident88.6Confident118 Ų11835.4 Ų35.463%0.63118%0.178SC*.SBendtrans-127.76.3179.4-72-9.7000113F6 T7 E44F6-N46 VanDerWaalsContact CA-O 3.31Å; F6-N46 WeakPolarHBondContact CA-O 3.5Å; F6-N46 WeakPolarHBondContact CD2-O 3.39Å; T7-N46 PolarHBondContact N-O 3.37Å; E44-N46 VanDerWaalsContact C-N 3.26Å; E44-N46 PolarHBondContact O-N 2.84Å
47A85.2Confident88.3Confident10 Ų1041.9 Ų41.98%0.08321%0.206CC..EExtended strand (participates in β ladder)trans-134145.5-177.200000109.7T7 E44T7-A47 CarbonylContact O-C 3.56Å; T7-A47 VanDerWaalsContact O-CA 3.25Å; T7-A47 WeakPolarHBondContact O-CA 3.48Å; T7-A47 WeakPolarHBondContact OG1-CB 3.35Å; E44-A47 CarbonylContact C-O 3.51Å; E44-A47 VanDerWaalsContact CA-O 3.31Å; E44-A47 WeakPolarHBondContact CA-O 3.25Å; E44-A47 HydrophobicContact CB-CB 4.32Å; E44-A47 WeakPolarHBondContact CB-O 3.48Å; E44-A47 PolarHBondContact N-O 3.44Å; E44-A47 PolarHBondContact O-N 3.39Å
48V88.7Confident87.9Confident0 Ų043.9 Ų43.90%021%0.214CC..EExtended strand (participates in β ladder)trans-113.2126171.4159.30000107.9F6 T7 R9 Y43 V50 V89 V126F6-V48 HydrophobicContact CE1-CG2 4.49Å; F6-V48 HydrophobicContact CE2-CG2 3.81Å; F6-V48 HydrophobicContact CZ-CB 3.91Å; F6-V48 HydrophobicContact CZ-CG2 3.4Å; T7-V48 PolarHBondContact O-N 2.9Å; R9-V48 PolarHBondContact N-O 3.37Å; Y43-V48 HydrophobicContact CD1-CG2 3.41Å; Y43-V48 VanDerWaalsContact CD1-CG2 3.41Å; Y43-V48 HydrophobicContact CE1-CG2 3.6Å; Y43-V48 HydrophobicContact CG-CG2 4.36Å; V48-V50 HydrophobicContact CG1-CG2 4.01Å; V48-V89 HydrophobicContact CB-CG1 4.43Å; V48-V89 HydrophobicContact CG1-CB 4.36Å; V48-V89 HydrophobicContact CG1-CG1 3.14Å; V48-V89 HydrophobicContact CG1-CG2 4.31Å; V48-V89 HydrophobicContact CG2-CG1 4.48Å; V48-V126 HydrophobicContact CB-CG2 4.37Å; V48-V126 HydrophobicContact CG1-CG2 4.04Å; V48-V126 HydrophobicContact CG2-CG2 4.42Å
49E90.6Very high87.3Confident36 Ų3647 Ų4717%0.16824%0.236CC..EExtended strand (participates in β ladder)trans-105.3113.8176.5-168.3171.1-168.100109.6R9 H11 G41 Y42 V51R9-E49 HydrophobicContact CB-CG 4.4Å; R9-E49 IonicContact CZ-OE2 3.41Å; R9-E49 IonicContact NH2-OE2 3.16Å; R9-E49 PolarHBondContact NH2-OE2 2.87Å; R9-E49 CarbonylContact O-C 3.46Å; R9-E49 WeakPolarHBondContact O-CA 3.28Å; H11-E49 IonicContact NE2-OE1 3.97Å; H11-E49 PolarHBondContact NE2-OE1 2.82Å; H11-E49 VanDerWaalsContact NE2-OE1 3.16Å; G41-E49 CarbonylContact C-O 3.51Å; G41-E49 WeakPolarHBondContact CA-O 3.34Å; Y42-E49 PolarHBondContact N-O 3.26Å; Y42-E49 PolarHBondContact O-N 2.91Å; E49-V51 HydrophobicContact CG-CG2 4.05Å
50V92.1Very high86.4Confident0 Ų049.3 Ų49.30%025%0.246CC..EExtended strand (participates in β ladder)trans-95.9108.5178.7-171.10000107.6V8 R9 V10 H11 V14 L39 V48 V89V8-V50 HydrophobicContact CG1-CG2 4.1Å; R9-V50 PolarHBondContact O-N 3.05Å; V10-V50 HydrophobicContact CG2-CB 4.44Å; V10-V50 HydrophobicContact CG2-CG2 4.46Å; H11-V50 PolarHBondContact CD2-O 3.02Å; H11-V50 PolarHBondContact N-O 3.45Å; V14-V50 HydrophobicContact CG1-CG1 3.95Å; V14-V50 HydrophobicContact CG2-CG1 3.91Å; L39-V50 HydrophobicContact CB-CG1 4.1Å; L39-V50 HydrophobicContact CD2-CG1 3.85Å; L39-V50 HydrophobicContact CG-CG1 4.38Å; V48-V50 HydrophobicContact CG1-CG2 4.01Å; V50-V89 HydrophobicContact CG2-CG1 4.44Å
51V90.2Very high85.4Confident32 Ų3253 Ų5319%0.19427%0.273CS..EExtended strand (participates in β ladder)trans-100.4-38.1-173.3177.90000110.9V14 L40 Y42 E49V14-V51 VanDerWaalsContact CG2-C 3.48Å; V14-V51 WeakPolarHBondContact CG2-O 3.21Å; L40-V51 PolarHBondContact O-N 3.15Å; L40-V51 VanDerWaalsContact O-N 3.08Å; Y42-V51 HydrophobicContact CD2-CG2 3.97Å; Y42-V51 HydrophobicContact CE2-CG2 3.57Å; E49-V51 HydrophobicContact CG-CG2 4.05Å
52N92Very high84.2Confident38 Ų3862.6 Ų62.620%0.20331%0.314CS..EExtended strand (participates in β ladder)trans-140.7161.1-173-1624.8000110.9L40L40-N52 WeakPolarHBondContact CA-O 3.28Å; L40-N52 HydrophobicContact CB-CB 4.23Å; L40-N52 PolarHBondContact N-O 3.37Å; L40-N52 PolarHBondContact O-N 3.33Å; L40-N52 VanDerWaalsContact O-O 3.04Å
53C92.2Very high83.1Confident7 Ų766.1 Ų66.15%0.04734%0.338CS..EExtended strand (participates in β ladder)trans-150.9160172.5670000110.8V14 S17 T38 L39 Y92V14-C53 HydrophobicContact CG1-CB 3.96Å; V14-C53 PolarHBondContact O-SG 3.16Å; V14-C53 VanDerWaalsContact O-SG 3.42Å; S17-C53 VanDerWaalsContact CB-SG 3.5Å; T38-C53 VanDerWaalsContact O-CA 3.3Å; T38-C53 WeakPolarHBondContact O-CA 3.3Å; T38-C53 WeakPolarHBondContact O-CB 3.42Å; L39-C53 HydrophobicContact CD2-CB 3.84Å; C53-Y92 HydrophobicContact CB-CD1 4.21Å; C53-Y92 HydrophobicContact CB-CE1 3.9Å
54Y91.5Very high82.2Confident12 Ų1271 Ų715%0.04736%0.363CS..EExtended strand (participates in β ladder)trans-141144.9170.358.9-93.7000110.6G37 T38 L40 V56 N72 M75G37-Y54 CarbonylContact C-O 3.58Å; G37-Y54 WeakPolarHBondContact CA-O 3.34Å; T38-Y54 VanDerWaalsContact CB-CZ 3.5Å; T38-Y54 HydrophobicContact CG2-CE1 4.22Å; T38-Y54 PolarHBondContact N-O 3.07Å; T38-Y54 PolarHBondContact O-N 3.01Å; T38-Y54 VanDerWaalsContact O-N 3.12Å; L40-Y54 HydrophobicContact CD1-CD1 3.77Å; L40-Y54 HydrophobicContact CD1-CE1 3.7Å; L40-Y54 HydrophobicContact CD2-CE1 4.08Å; L40-Y54 HydrophobicContact CG-CD1 4.2Å; L40-Y54 HydrophobicContact CG-CE1 3.9Å; Y54-V56 HydrophobicContact CD2-CG2 3.72Å; Y54-V56 HydrophobicContact CE2-CG2 3.49Å; Y54-V56 VanDerWaalsContact CE2-CG2 3.49Å; Y54-N72 WeakPolarHBondContact CE2-OD1 3.12Å; Y54-N72 PolarHBondContact OH-O 3.47Å; Y54-N72 PolarHBondContact OH-OD1 3.37Å; Y54-M75 HydrophobicContact CD1-CG 3.99Å; Y54-M75 HydrophobicContact CD2-CB 4.12Å; Y54-M75 HydrophobicContact CD2-CG 3.44Å; Y54-M75 VanDerWaalsContact CD2-CG 3.44Å; Y54-M75 HydrophobicContact CE1-CG 4.18Å; Y54-M75 HydrophobicContact CE2-CB 3.84Å; Y54-M75 HydrophobicContact CE2-CG 3.65Å; Y54-M75 HydrophobicContact CG-CE 4.16Å; Y54-M75 HydrophobicContact CG-CG 3.62Å
55G88.5Confident81.8Confident40 Ų4067.3 Ų67.341%0.41235%0.348SS..EExtended strand (participates in β ladder)trans-71.4141.1173.500000110.9Y92G55-Y92 WeakPolarHBondContact CA-OH 3.47Å; G55-Y92 PolarHBondContact N-OH 3.19Å
56V85.9Confident81.6Confident9 Ų960.1 Ų60.16%0.05533%0.325CS..  trans-118.5138.8174.9-1730000108.7I36 T38 Y54 Y58 I67 M71 N72I36-V56 PolarHBondContact O-N 3.19Å; T38-V56 WeakPolarHBondContact OG1-CG2 3.41Å; Y54-V56 HydrophobicContact CD2-CG2 3.72Å; Y54-V56 HydrophobicContact CE2-CG2 3.49Å; Y54-V56 VanDerWaalsContact CE2-CG2 3.49Å; V56-Y58 PolarHBondContact O-N 3.3Å; V56-I67 HydrophobicContact CB-CG2 4.49Å; V56-I67 HydrophobicContact CG1-CG2 3.51Å; V56-M71 HydrophobicContact CG1-SD 4.29Å; V56-N72 HydrophobicContact CG1-CB 4.5Å
57K83.1Confident81.7Confident146 Ų14655.2 Ų55.264%0.63530%0.299SS*.  trans-66.9126.9171.4-68.5-170.6-168.7-179.60109.2D68 M71K57-D68 PolarHBondContact O-N 2.92Å; K57-M71 HydrophobicContact CB-CE 3.7Å; K57-M71 HydrophobicContact CB-SD 4.14Å; K57-M71 HydrophobicContact CD-CE 3.52Å; K57-M71 HydrophobicContact CG-CE 3.5Å; K57-M71 HydrophobicContact CG-SD 4.06Å
58Y81Confident81.7Confident42 Ų4258.2 Ų58.217%0.16531%0.313CS..EExtended strand (participates in β ladder)trans-125.1150.8175.374.5-83.3000109C32 K34 I36 V56 E60 S66 F105C32-Y58 WeakPolarHBondContact CB-OH 3.47Å; K34-Y58 VanDerWaalsContact C-OH 3.29Å; K34-Y58 WeakPolarHBondContact CB-OH 3.36Å; K34-Y58 WeakPolarHBondContact O-CE1 3.43Å; K34-Y58 PolarHBondContact O-OH 3.48Å; I36-Y58 HydrophobicContact CB-CD1 3.79Å; I36-Y58 HydrophobicContact CB-CE1 4.12Å; I36-Y58 HydrophobicContact CB-CG 4.28Å; I36-Y58 HydrophobicContact CD1-CD1 4.12Å; I36-Y58 HydrophobicContact CD1-CD2 3.9Å; I36-Y58 HydrophobicContact CD1-CE1 4.22Å; I36-Y58 HydrophobicContact CD1-CE2 3.99Å; I36-Y58 HydrophobicContact CD1-CG 3.97Å; I36-Y58 HydrophobicContact CG1-CD1 4.06Å; I36-Y58 HydrophobicContact CG1-CE1 4Å; I36-Y58 HydrophobicContact CG1-CG 4.4Å; V56-Y58 PolarHBondContact O-N 3.3Å; Y58-E60 HydrophobicContact CD2-CB 4Å; Y58-E60 HydrophobicContact CE2-CB 3.81Å; Y58-S66 WeakPolarHBondContact CA-O 3.3Å; Y58-F105 HydrophobicContact CD2-CZ 4.01Å; Y58-F105 HydrophobicContact CG-CZ 4.42Å
59S78.4Confident81.5Confident64 Ų6465.9 Ų65.945%0.44834%0.342SS..EExtended strand (participates in β ladder)trans-114.9115.6168.965.80000107.7A65 S66S59-A65 WeakPolarHBondContact O-CA 3.49Å; S59-S66 PolarHBondContact N-O 3.44Å; S59-S66 PolarHBondContact O-N 3.06Å; S59-S66 PolarHBondContact OG-OG 3.28Å
60E73.3Confident81.3Confident49 Ų4971.5 Ų71.523%0.22937%0.366CS..EExtended strand (participates in β ladder)trans-106.9107.2173.5-171.1174.8-167.400108.8Y58 S99 A101Y58-E60 HydrophobicContact CD2-CB 4Å; Y58-E60 HydrophobicContact CE2-CB 3.81Å; E60-S99 PolarHBondContact OE1-OG 3.14Å; E60-S99 VanDerWaalsContact OE1-OG 3.12Å; E60-A101 HydrophobicContact CG-CB 4.18Å; E60-A101 WeakPolarHBondContact OE1-CB 3.38Å
61S71.7Confident81Confident79 Ų7973.8 Ų73.855%0.55238%0.378SS*.  trans-95.1164.3158.8-170.50000108.6D63 E64S61-D63 PolarHBondContact O-N 3.46Å; S61-E64 PolarHBondContact N-O 3.19Å; S61-E64 PolarHBondContact O-N 2.84Å
62K64.7Low80.8Confident202 Ų20272.5 Ų72.588%0.87837%0.37SS*.SBendtrans-52.8-32.5-172.1-69.6-178177.5-179.60114.4
63D65.9Low80.6Confident147 Ų14777 Ų7779%0.78639%0.388SS*.SBendtrans-122.3-8.4-178.7-64.6-43.7000113.7S61S61-D63 PolarHBondContact O-N 3.46Å
64E68.6Low80.5Confident150 Ų15081.6 Ų81.670%0.70141%0.408SS*.  trans-130.4112.9-175.7-68.7-174.5172.200109.8S61S61-E64 PolarHBondContact N-O 3.19Å; S61-E64 PolarHBondContact O-N 2.84Å
65A72.8Confident80.4Confident17 Ų1784.4 Ų84.414%0.1442%0.423CS..EExtended strand (participates in β ladder)trans-110122.9170.400000108.9S59 A101 L104 F105S59-A65 WeakPolarHBondContact O-CA 3.49Å; A65-A101 HydrophobicContact CB-CB 3.69Å; A65-L104 HydrophobicContact CB-CB 4.38Å; A65-L104 HydrophobicContact CB-CD1 3.93Å; A65-F105 HydrophobicContact CB-CE1 3.89Å; A65-F105 HydrophobicContact CB-CE2 4.04Å; A65-F105 HydrophobicContact CB-CZ 3.59Å
66S76.5Confident80.4Confident65 Ų6584.6 Ų84.646%0.45541%0.412SS..EExtended strand (participates in β ladder)trans-126.2137.6179.191.40000110.8Y58 S59Y58-S66 WeakPolarHBondContact CA-O 3.3Å; S59-S66 PolarHBondContact N-O 3.44Å; S59-S66 PolarHBondContact O-N 3.06Å; S59-S66 PolarHBondContact OG-OG 3.28Å
67I82.8Confident80.5Confident15 Ų1589.4 Ų89.48%0.07743%0.434CS..EExtended strand (participates in β ladder)trans-101.8136.1171.7-65.5180000107.3V56 R69 F105 Y108 Y109V56-I67 HydrophobicContact CB-CG2 4.49Å; V56-I67 HydrophobicContact CG1-CG2 3.51Å; I67-R69 PolarHBondContact O-N 3.29Å; I67-F105 HydrophobicContact CD1-CD1 3.39Å; I67-F105 HydrophobicContact CD1-CE1 3.95Å; I67-F105 HydrophobicContact CD1-CG 4.33Å; I67-F105 HydrophobicContact CG1-CD1 3.51Å; I67-F105 HydrophobicContact CG1-CE1 3.55Å; I67-Y108 HydrophobicContact CB-CD1 4.27Å; I67-Y108 HydrophobicContact CB-CE1 4.07Å; I67-Y108 HydrophobicContact CD1-CD1 3.66Å; I67-Y108 HydrophobicContact CD1-CE1 4.01Å; I67-Y108 HydrophobicContact CD1-CG 4.5Å; I67-Y108 HydrophobicContact CG1-CD1 4.44Å; I67-Y108 HydrophobicContact CG2-CD1 4.48Å; I67-Y108 HydrophobicContact CG2-CE1 3.86Å; I67-Y109 HydrophobicContact CD1-CD2 4.43Å; I67-Y109 HydrophobicContact CD1-CE2 3.57Å
68D84.8Confident81Confident72 Ų7287.3 Ų87.339%0.38543%0.429SS..  trans-65.3102.1170-173.5-10.3000110.1K57 F70 M71 N72K57-D68 PolarHBondContact O-N 2.92Å; D68-F70 PolarHBondContact O-N 3.45Å; D68-F70 WeakPolarHBondContact OD1-CB 3.31Å; D68-F70 PolarHBondContact OD1-N 2.83Å; D68-M71 HydrophobicContact CB-CB 4.08Å; D68-M71 PolarHBondContact OD1-N 2.91Å; D68-N72 WeakPolarHBondContact O-CB 3.41Å; D68-N72 PolarHBondContact O-N 2.88Å; D68-N72 VanDerWaalsContact O-N 3.12Å
69R84.5Confident81.3Confident161 Ų16186.3 Ų86.361%0.60843%0.427SS*.Hα-helixtrans-65.7-30.4-178.9-54.1-167.9174.2-175-6.4112.4I67 K73 Y108I67-R69 PolarHBondContact O-N 3.29Å; R69-K73 WeakPolarHBondContact O-CB 3.37Å; R69-K73 PolarHBondContact O-N 2.68Å; R69-K73 VanDerWaalsContact O-N 3.13Å; R69-Y108 WeakPolarHBondContact CA-OH 3.4Å; R69-Y108 HydrophobicContact CB-CE2 4.44Å; R69-Y108 HydrophobicContact CG-CE2 3.57Å
70F86.2Confident81.8Confident154 Ų15490.5 Ų90.568%0.67543%0.433SS*.Hα-helixtrans-71.6-50.9-177.3-175-92.1000110D68 N72 K73 E74D68-F70 PolarHBondContact O-N 3.45Å; D68-F70 WeakPolarHBondContact OD1-CB 3.31Å; D68-F70 PolarHBondContact OD1-N 2.83Å; F70-N72 VanDerWaalsContact C-N 3.3Å; F70-N72 PolarHBondContact O-N 3.45Å; F70-K73 PolarHBondContact O-N 3.44Å; F70-E74 PolarHBondContact O-N 3.44Å
71M86.5Confident82.7Confident49 Ų4992.2 Ų92.224%0.24146%0.455CS..Hα-helixtrans-56.4-45.9174.3-179.3-169.2-59.700111.5V56 K57 D68 K73 E74 M75V56-M71 HydrophobicContact CG1-SD 4.29Å; K57-M71 HydrophobicContact CB-CE 3.7Å; K57-M71 HydrophobicContact CB-SD 4.14Å; K57-M71 HydrophobicContact CD-CE 3.52Å; K57-M71 HydrophobicContact CG-CE 3.5Å; K57-M71 HydrophobicContact CG-SD 4.06Å; D68-M71 HydrophobicContact CB-CB 4.08Å; D68-M71 PolarHBondContact OD1-N 2.91Å; M71-K73 VanDerWaalsContact C-N 3.27Å; M71-K73 PolarHBondContact O-N 3.12Å; M71-E74 PolarHBondContact O-N 3.18Å; M71-M75 VanDerWaalsContact O-CB 3.26Å; M71-M75 WeakPolarHBondContact O-CB 3.47Å; M71-M75 PolarHBondContact O-N 3.21Å
72N86.4Confident83.5Confident5 Ų592.1 Ų92.13%0.02746%0.455CS..Hα-helixtrans-60.7-39.9-178.5-169.636.2000111.9T38 Y54 V56 D68 F70 F76 Y108T38-N72 PolarHBondContact OG1-OD1 3.14Å; Y54-N72 WeakPolarHBondContact CE2-OD1 3.12Å; Y54-N72 PolarHBondContact OH-O 3.47Å; Y54-N72 PolarHBondContact OH-OD1 3.37Å; V56-N72 HydrophobicContact CG1-CB 4.5Å; D68-N72 WeakPolarHBondContact O-CB 3.41Å; D68-N72 PolarHBondContact O-N 2.88Å; D68-N72 VanDerWaalsContact O-N 3.12Å; F70-N72 VanDerWaalsContact C-N 3.3Å; F70-N72 PolarHBondContact O-N 3.45Å; N72-F76 VanDerWaalsContact O-CB 3.26Å; N72-F76 WeakPolarHBondContact O-CB 3.47Å; N72-F76 PolarHBondContact O-N 3.38Å; N72-Y108 PolarHBondContact ND2-OH 3.17Å
73K87.5Confident84.6Confident133 Ų13385.7 Ų85.758%0.57843%0.43SS*.Hα-helixtrans-69.5-46.4178.9-172.8-178175.2-169.40111.9R69 F70 M71 F76 E77R69-K73 WeakPolarHBondContact O-CB 3.37Å; R69-K73 PolarHBondContact O-N 2.68Å; R69-K73 VanDerWaalsContact O-N 3.13Å; F70-K73 PolarHBondContact O-N 3.44Å; M71-K73 VanDerWaalsContact C-N 3.27Å; M71-K73 PolarHBondContact O-N 3.12Å; K73-F76 PolarHBondContact O-N 3.24Å; K73-E77 WeakPolarHBondContact CE-OE1 3.18Å; K73-E77 IonicContact NZ-OE1 2.76Å; K73-E77 WeakPolarHBondContact O-CG 3.23Å; K73-E77 PolarHBondContact O-N 3.16Å
74E90.5Very high85.6Confident103 Ų10383 Ų8348%0.48142%0.42SS..Hα-helixtrans-61.3-46178.3-175.1177.1-172.300111.1F70 M71 F76 E77 L78F70-E74 PolarHBondContact O-N 3.44Å; M71-E74 PolarHBondContact O-N 3.18Å; E74-F76 VanDerWaalsContact C-N 3.34Å; E74-F76 PolarHBondContact O-N 3.42Å; E74-E77 PolarHBondContact O-N 2.91Å; E74-L78 HydrophobicContact CG-CD1 4.43Å; E74-L78 WeakPolarHBondContact O-CG 3.17Å; E74-L78 PolarHBondContact O-N 2.87Å
75M88.8Confident86.4Confident70 Ų7083 Ų8335%0.34542%0.42SS..Hα-helixtrans-63.8-39.9178.1-164.964.2166.300111.9Y54 M71 L78 N79Y54-M75 HydrophobicContact CD1-CG 3.99Å; Y54-M75 HydrophobicContact CD2-CB 4.12Å; Y54-M75 HydrophobicContact CD2-CG 3.44Å; Y54-M75 VanDerWaalsContact CD2-CG 3.44Å; Y54-M75 HydrophobicContact CE1-CG 4.18Å; Y54-M75 HydrophobicContact CE2-CB 3.84Å; Y54-M75 HydrophobicContact CE2-CG 3.65Å; Y54-M75 HydrophobicContact CG-CE 4.16Å; Y54-M75 HydrophobicContact CG-CG 3.62Å; M71-M75 VanDerWaalsContact O-CB 3.26Å; M71-M75 WeakPolarHBondContact O-CB 3.47Å; M71-M75 PolarHBondContact O-N 3.21Å; M75-L78 PolarHBondContact O-N 2.96Å; M75-N79 WeakPolarHBondContact O-CB 3.45Å; M75-N79 PolarHBondContact O-N 3.18Å; M75-N79 PolarHBondContact O-OD1 2.95Å
76F88.2Confident87.1Confident44 Ų4482.7 Ų82.719%0.19342%0.416CS..Hα-helixtrans-64.1-40.5173.8179.3-110.6000112.2L40 N72 K73 E74 N79 R80 I88L40-F76 HydrophobicContact CD2-CD2 3.97Å; L40-F76 HydrophobicContact CD2-CE2 4.16Å; N72-F76 VanDerWaalsContact O-CB 3.26Å; N72-F76 WeakPolarHBondContact O-CB 3.47Å; N72-F76 PolarHBondContact O-N 3.38Å; K73-F76 PolarHBondContact O-N 3.24Å; E74-F76 VanDerWaalsContact C-N 3.34Å; E74-F76 PolarHBondContact O-N 3.42Å; F76-N79 PolarHBondContact O-N 2.81Å; F76-R80 VanDerWaalsContact O-CB 3.23Å; F76-R80 WeakPolarHBondContact O-CB 3.42Å; F76-R80 PolarHBondContact O-N 3.49Å; F76-I88 HydrophobicContact CB-CD1 4.47Å; F76-I88 HydrophobicContact CD1-CD1 4.48Å; F76-I88 HydrophobicContact CD2-CD1 3.78Å; F76-I88 HydrophobicContact CD2-CG1 3.55Å; F76-I88 HydrophobicContact CE2-CD1 4.14Å; F76-I88 HydrophobicContact CE2-CG1 3.64Å; F76-I88 HydrophobicContact CG-CD1 3.97Å; F76-I88 HydrophobicContact CG-CG1 4.27Å; F76-I88 HydrophobicContact CZ-CG1 4.39Å
77E89.6Confident87.6Confident111 Ų11181.1 Ų81.152%0.51941%0.405SS..Hα-helixtrans-65.2-40.6176.4-75.4178.4-174.400112K73 E74 R80 A81K73-E77 WeakPolarHBondContact CE-OE1 3.18Å; K73-E77 IonicContact NZ-OE1 2.76Å; K73-E77 WeakPolarHBondContact O-CG 3.23Å; K73-E77 PolarHBondContact O-N 3.16Å; E74-E77 PolarHBondContact O-N 2.91Å; E77-R80 PolarHBondContact O-N 2.98Å; E77-A81 WeakPolarHBondContact O-CB 3.46Å; E77-A81 PolarHBondContact O-N 3.31Å
78L92Very high87.9Confident101 Ų10180.9 Ų80.953%0.52940%0.403SS..Hα-helixtrans-63-46.9174.4-70.5173.6000111.9E74 M75 R80 A81 S82E74-L78 HydrophobicContact CG-CD1 4.43Å; E74-L78 WeakPolarHBondContact O-CG 3.17Å; E74-L78 PolarHBondContact O-N 2.87Å; M75-L78 PolarHBondContact O-N 2.96Å; L78-R80 VanDerWaalsContact C-N 3.3Å; L78-R80 PolarHBondContact O-N 3.46Å; L78-A81 WeakPolarHBondContact O-CB 3.3Å; L78-A81 PolarHBondContact O-N 2.95Å; L78-A81 VanDerWaalsContact O-N 3.16Å; L78-S82 PolarHBondContact O-N 3.27Å
79N88.6Confident88Confident22 Ų2277.4 Ų77.412%0.11839%0.385CS..Hα-helixtrans-67.2-32.8177.9-79.328.2000112.1L40 M75 F76 A81 S82 N83L40-N79 HydrophobicContact CD1-CB 3.84Å; L40-N79 WeakPolarHBondContact CD1-ND2 3.5Å; M75-N79 WeakPolarHBondContact O-CB 3.45Å; M75-N79 PolarHBondContact O-N 3.18Å; M75-N79 PolarHBondContact O-OD1 2.95Å; F76-N79 PolarHBondContact O-N 2.81Å; N79-A81 VanDerWaalsContact C-N 3.32Å; N79-S82 PolarHBondContact O-N 3.22Å; N79-S82 PolarHBondContact O-OG 3.06Å; N79-N83 PolarHBondContact O-N 2.97Å
80R88.5Confident88.2Confident152 Ų15269.8 Ų69.857%0.57436%0.356SS*.Hα-helixtrans-70.1-31173.7-173.9177.2176.5-168.6-2.1112.2F76 E77 L78 N83 P84F76-R80 VanDerWaalsContact O-CB 3.23Å; F76-R80 WeakPolarHBondContact O-CB 3.42Å; F76-R80 PolarHBondContact O-N 3.49Å; E77-R80 PolarHBondContact O-N 2.98Å; L78-R80 VanDerWaalsContact C-N 3.3Å; L78-R80 PolarHBondContact O-N 3.46Å; R80-N83 CarbonylContact O-C 3.48Å; R80-P84 WeakPolarHBondContact O-CA 3.48Å
81A91Very high88.5Confident85 Ų8562.5 Ų62.570%0.70232%0.324SS*.Hα-helixtrans-69.1-36175.900000112E77 L78 N79E77-A81 WeakPolarHBondContact O-CB 3.46Å; E77-A81 PolarHBondContact O-N 3.31Å; L78-A81 WeakPolarHBondContact O-CB 3.3Å; L78-A81 PolarHBondContact O-N 2.95Å; L78-A81 VanDerWaalsContact O-N 3.16Å; N79-A81 VanDerWaalsContact C-N 3.32Å
82S89.4Confident88.7Confident77 Ų7760.2 Ų60.254%0.53831%0.313SS..Hα-helixtrans-78.4-46.2173.757.30000112.4L78 N79L78-S82 PolarHBondContact O-N 3.27Å; N79-S82 PolarHBondContact O-N 3.22Å; N79-S82 PolarHBondContact O-OG 3.06Å
83N87.2Confident88.8Confident66 Ų6660.3 Ų60.335%0.35331%0.314SS..  trans-127.689.7-176.2-68-29.1000111.1N79 R80 H85 E86N79-N83 PolarHBondContact O-N 2.97Å; R80-N83 CarbonylContact O-C 3.48Å; N83-H85 PolarHBondContact O-N 3.27Å; N83-E86 HydrophobicContact CB-CB 4.44Å; N83-E86 HydrophobicContact CB-CG 3.89Å; N83-E86 WeakPolarHBondContact CB-OE1 3.43Å; N83-E86 PolarHBondContact ND2-OE1 3.16Å; N83-E86 PolarHBondContact O-N 3.4Å
84P86.7Confident88.7Confident90 Ų9054 Ų5458%0.58429%0.287SS*.THydrogen-bonded Turntrans-63.8-18.1-175.4-24.934.5000115.4R80R80-P84 WeakPolarHBondContact O-CA 3.48Å
85H85.6Confident88Confident152 Ų15250 Ų5070%0.70427%0.27SS*.THydrogen-bonded Turntrans-80.5-24.4-178.3-62.3-65.3000112.2Y42 N83Y42-H85 HydrophobicContact CD1-CB 4.17Å; Y42-H85 WeakPolarHBondContact CD1-O 3.31Å; Y42-H85 HydrophobicContact CE1-CB 3.39Å; Y42-H85 WeakPolarHBondContact CE1-O 3.41Å; N83-H85 PolarHBondContact O-N 3.27Å
86E87.1Confident87Confident10 Ų1051 Ų515%0.04728%0.277CS..  trans-73.4135.3-170.6-72.2178.4-163.300110.8L40 Y42 N83L40-E86 HydrophobicContact CB-CB 4.44Å; Y42-E86 HydrophobicContact CE1-CB 4.44Å; Y42-E86 HydrophobicContact CE1-CG 3.94Å; N83-E86 HydrophobicContact CB-CB 4.44Å; N83-E86 HydrophobicContact CB-CG 3.89Å; N83-E86 WeakPolarHBondContact CB-OE1 3.43Å; N83-E86 PolarHBondContact ND2-OE1 3.16Å; N83-E86 PolarHBondContact O-N 3.4Å
87S87.3Confident86.1Confident32 Ų3256 Ų5622%0.22430%0.301CS..EExtended strand (participates in β ladder)trans-124.5155176.864.50000110.6L40 G41 V89L40-S87 WeakPolarHBondContact CA-O 3.39Å; G41-S87 PolarHBondContact N-O 3.34Å; G41-S87 PolarHBondContact O-N 2.87Å; G41-S87 PolarHBondContact O-OG 3.26Å; S87-V89 PolarHBondContact O-N 2.84Å
88I88.9Confident85.2Confident9 Ų955.2 Ų55.25%0.04630%0.299CS..EExtended strand (participates in β ladder)trans-67119.9172.7-60.6171.8000108.1T38 L40 F76 Y109 V113T38-I88 HydrophobicContact CG2-CB 4.44Å; T38-I88 HydrophobicContact CG2-CG1 4.13Å; T38-I88 HydrophobicContact CG2-CG2 3.68Å; L40-I88 HydrophobicContact CD2-CG1 3.95Å; F76-I88 HydrophobicContact CB-CD1 4.47Å; F76-I88 HydrophobicContact CD1-CD1 4.48Å; F76-I88 HydrophobicContact CD2-CD1 3.78Å; F76-I88 HydrophobicContact CD2-CG1 3.55Å; F76-I88 HydrophobicContact CE2-CD1 4.14Å; F76-I88 HydrophobicContact CE2-CG1 3.64Å; F76-I88 HydrophobicContact CG-CD1 3.97Å; F76-I88 HydrophobicContact CG-CG1 4.27Å; F76-I88 HydrophobicContact CZ-CG1 4.39Å; I88-Y109 HydrophobicContact CG2-CD1 4.28Å; I88-V113 HydrophobicContact CB-CG2 4.49Å; I88-V113 HydrophobicContact CG2-CG2 4Å
89V87.8Confident84.1Confident0 Ų052.2 Ų52.20%029%0.286CS..EExtended strand (participates in β ladder)trans-102.7-27.5-178.1165.50000111.6L39 Y43 V48 V50 S87 V126L39-V89 PolarHBondContact O-N 3.09Å; Y43-V89 HydrophobicContact CD2-CG2 4.29Å; Y43-V89 HydrophobicContact CE2-CB 4.43Å; Y43-V89 HydrophobicContact CE2-CG2 3.88Å; Y43-V89 WeakPolarHBondContact OH-CA 3.46Å; Y43-V89 PolarHBondContact OH-O 3.18Å; V48-V89 HydrophobicContact CB-CG1 4.43Å; V48-V89 HydrophobicContact CG1-CB 4.36Å; V48-V89 HydrophobicContact CG1-CG1 3.14Å; V48-V89 HydrophobicContact CG1-CG2 4.31Å; V48-V89 HydrophobicContact CG2-CG1 4.48Å; V50-V89 HydrophobicContact CG2-CG1 4.44Å; S87-V89 PolarHBondContact O-N 2.84Å; V89-V126 HydrophobicContact CG1-CB 4.25Å; V89-V126 HydrophobicContact CG1-CG2 4.09Å; V89-V126 PolarHBondContact O-N 2.88Å
90G89.3Confident83.4Confident0 Ų058.1 Ų58.10%032%0.318CS..EExtended strand (participates in β ladder)trans161.5-143.2-179.900000111.9L39 V126L39-G90 PolarHBondContact N-O 3.06Å; G90-V126 WeakPolarHBondContact CA-O 3.38Å
91W91.2Very high82.8Confident1 Ų151.4 Ų51.40%0.00430%0.295CS..EExtended strand (participates in β ladder)trans-146.6159.3-172.165.6-77.2000112I36 G37 L39 F105 Y109 V126 H127 L128 L146I36-W91 HydrophobicContact CG2-CE3 4.19Å; G37-W91 CarbonylContact O-C 3.02Å; G37-W91 WeakPolarHBondContact O-CA 3.43Å; G37-W91 VanDerWaalsContact O-CB 3.29Å; G37-W91 WeakPolarHBondContact O-CB 3.25Å; L39-W91 WeakPolarHBondContact CD1-O 3.5Å; W91-F105 HydrophobicContact CD2-CB 4.43Å; W91-F105 HydrophobicContact CE3-CB 4.45Å; W91-F105 HydrophobicContact CH2-CB 4.21Å; W91-F105 HydrophobicContact CH2-CD2 4.38Å; W91-F105 HydrophobicContact CZ2-CB 4.19Å; W91-F105 HydrophobicContact CZ3-CB 4.33Å; W91-F105 HydrophobicContact CZ3-CD2 4.28Å; W91-Y109 HydrophobicContact CB-CD2 3.52Å; W91-Y109 HydrophobicContact CB-CE1 4.3Å; W91-Y109 HydrophobicContact CB-CE2 3.27Å; W91-Y109 HydrophobicContact CB-CG 4.15Å; W91-Y109 AromaticContact CD1-CD2 3.5Å; W91-Y109 VanDerWaalsContact CD1-CD2 3.5Å; W91-Y109 HydrophobicContact CD2-CD2 4.34Å; W91-Y109 HydrophobicContact CD2-CE2 4.38Å; W91-Y109 AromaticContact CG-CD2 3.51Å; W91-Y109 HydrophobicContact CG-CD2 3.51Å; W91-Y109 AromaticContact CG-CE2 3.66Å; W91-Y109 HydrophobicContact CG-CE2 3.66Å; W91-Y109 HydrophobicContact CG-CG 4.3Å; W91-V126 PolarHBondContact N-O 3.43Å; W91-H127 AromaticContact CD2-CD2 3.72Å; W91-H127 AromaticContact CE2-CD2 3.57Å; W91-H127 AromaticContact CE2-CG 3.82Å; W91-H127 AromaticContact CE3-CD2 3.76Å; W91-H127 AromaticContact CE3-NE2 3.96Å; W91-H127 AromaticContact CH2-CD2 3.56Å; W91-H127 AromaticContact CH2-CE1 3.6Å; W91-H127 AromaticContact CH2-NE2 3.22Å; W91-H127 WeakPolarHBondContact CH2-NE2 3.44Å; W91-H127 HydrophobicContact CZ2-CB 4.37Å; W91-H127 AromaticContact CZ2-CD2 3.5Å; W91-H127 AromaticContact CZ2-CE1 3.82Å; W91-H127 AromaticContact CZ2-CG 3.67Å; W91-H127 AromaticContact CZ2-ND1 3.86Å; W91-H127 AromaticContact CZ2-NE2 3.62Å; W91-H127 AromaticContact CZ3-CD2 3.7Å; W91-H127 AromaticContact CZ3-NE2 3.43Å; W91-H127 WeakPolarHBondContact CZ3-NE2 3.26Å; W91-H127 WeakPolarHBondContact O-CA 3.4Å; W91-L128 PolarHBondContact O-N 2.86Å; W91-L146 HydrophobicContact CZ2-CD1 4.48Å
92Y91.8Very high82.1Confident1 Ų148 Ų480%0.00427%0.267CS..EExtended strand (participates in β ladder)trans-121.7155.6176.870.2-93.4000111.7I18 S21 I36 G37 L39 C53 G55 L128I18-Y92 HydrophobicContact CB-CD2 4.3Å; I18-Y92 HydrophobicContact CB-CE2 4.12Å; I18-Y92 HydrophobicContact CD1-CD1 4.19Å; I18-Y92 HydrophobicContact CD1-CD2 3.93Å; I18-Y92 HydrophobicContact CD1-CE2 4.45Å; I18-Y92 HydrophobicContact CD1-CG 3.77Å; I18-Y92 HydrophobicContact CG1-CD1 4.04Å; I18-Y92 HydrophobicContact CG1-CD2 3.65Å; I18-Y92 HydrophobicContact CG1-CE1 4.03Å; I18-Y92 HydrophobicContact CG1-CE2 3.67Å; I18-Y92 HydrophobicContact CG1-CG 3.83Å; I18-Y92 HydrophobicContact CG2-CD2 3.77Å; I18-Y92 HydrophobicContact CG2-CE2 3.76Å; S21-Y92 PolarHBondContact OG-OH 3.45Å; I36-Y92 WeakPolarHBondContact CA-O 3.48Å; G37-Y92 VanDerWaalsContact C-CE1 3.44Å; G37-Y92 PolarHBondContact N-O 2.98Å; G37-Y92 WeakPolarHBondContact O-CD1 3.05Å; G37-Y92 PolarHBondContact O-N 3.28Å; L39-Y92 HydrophobicContact CD2-CD1 3.67Å; L39-Y92 HydrophobicContact CD2-CG 4.25Å; L39-Y92 HydrophobicContact CG-CD1 4.2Å; C53-Y92 HydrophobicContact CB-CD1 4.21Å; C53-Y92 HydrophobicContact CB-CE1 3.9Å; G55-Y92 WeakPolarHBondContact CA-OH 3.47Å; G55-Y92 PolarHBondContact N-OH 3.19Å; Y92-L128 CarbonylContact C-O 3.58Å; Y92-L128 WeakPolarHBondContact CA-O 3.26Å; Y92-L128 WeakPolarHBondContact CB-O 3.47Å
93S88.9Confident81.5Confident7 Ų747.8 Ų47.85%0.04926%0.257CS..EExtended strand (participates in β ladder)trans-137.8144.9171.257.80000110.8A35 H127 L128 I129 V130A35-S93 WeakPolarHBondContact O-CA 3.49Å; S93-H127 PolarHBondContact OG-NE2 3.38Å; S93-L128 PolarHBondContact N-O 3.48Å; S93-I129 WeakPolarHBondContact O-CA 3.35Å; S93-V130 PolarHBondContact O-N 2.92Å
94T84.1Confident81.2Confident2 Ų248.3 Ų48.31%0.01226%0.259CS..SBendtrans-95.610.4-176.463.30000115.4I18 Y22 A35 V130 V132I18-T94 HydrophobicContact CG2-CG2 3.59Å; Y22-T94 HydrophobicContact CD2-CG2 3.91Å; Y22-T94 VanDerWaalsContact CD2-OG1 3.29Å; Y22-T94 WeakPolarHBondContact CD2-OG1 3.48Å; A35-T94 HydrophobicContact CB-CG2 3.73Å; A35-T94 PolarHBondContact N-OG1 2.92Å; A35-T94 PolarHBondContact O-N 2.81Å; A35-T94 VanDerWaalsContact O-N 3.14Å; T94-V130 CarbonylContact C-O 3.52Å; T94-V130 WeakPolarHBondContact CA-O 3.38Å; T94-V132 HydrophobicContact CG2-CG2 4.29Å
95S75.2Confident81Confident19 Ų1944.3 Ų44.313%0.13323%0.232CC..  trans-127.1144.2-175.865.10000111.5K34 E97K34-S95 WeakPolarHBondContact CD-OG 3.4Å; K34-S95 WeakPolarHBondContact CE-OG 3.42Å; K34-S95 WeakPolarHBondContact CG-OG 3.35Å; S95-E97 VanDerWaalsContact C-N 3.29Å; S95-E97 PolarHBondContact O-N 2.73Å
96D68.6Low80.8Confident91 Ų9137 Ų3749%0.48720%0.199SC..SBendtrans-68.2-26.8177-16432.2000113I98D96-I98 PolarHBondContact O-N 2.84Å
97E68.8Low80.6Confident149 Ų14938.8 Ų38.870%0.69621%0.209SC*.  trans-73.6101.6-179.1-67.7-175.8-179.900112.1K34 S95 S99K34-E97 PolarHBondContact NZ-O 3.37Å; S95-E97 VanDerWaalsContact C-N 3.29Å; S95-E97 PolarHBondContact O-N 2.73Å; E97-S99 PolarHBondContact O-N 3.35Å; E97-S99 VanDerWaalsContact O-N 3.08Å
98I71.1Confident80.4Confident94 Ų9439 Ų3948%0.48221%0.205SC..  trans-71.296.4167.7-60.2151.5000108D96 I129 L162D96-I98 PolarHBondContact O-N 2.84Å; I98-I129 HydrophobicContact CD1-CD1 4.4Å; I98-I129 HydrophobicContact CG1-CD1 4.09Å; I98-L162 HydrophobicContact CD1-CD1 3.55Å; I98-L162 HydrophobicContact CG1-CD1 4.09Å; I98-L162 HydrophobicContact CG2-CD1 3.81Å
99S69.3Low80.1Confident37 Ų3738.5 Ų38.526%0.25920%0.202SC..  trans-87.3164.9174.361.10000111.2E60 E97 A101 S102E60-S99 PolarHBondContact OE1-OG 3.14Å; E60-S99 VanDerWaalsContact OE1-OG 3.12Å; E97-S99 PolarHBondContact O-N 3.35Å; E97-S99 VanDerWaalsContact O-N 3.08Å; S99-A101 PolarHBondContact O-N 3.37Å; S99-A101 VanDerWaalsContact O-N 3.08Å; S99-A101 WeakPolarHBondContact OG-CB 3.17Å; S99-S102 VanDerWaalsContact O-CB 3.22Å; S99-S102 WeakPolarHBondContact O-CB 3.17Å; S99-S102 PolarHBondContact O-N 2.86Å; S99-S102 PolarHBondContact O-OG 3.31Å
100N73.7Confident79.7Confident147 Ų14740.6 Ų40.679%0.78621%0.213SC*.THydrogen-bonded Turntrans-55.5-25.3173.2-69.6-20.7000112.4S102 Q103N100-S102 PolarHBondContact O-N 3.44Å; N100-Q103 WeakPolarHBondContact O-CB 3.37Å; N100-Q103 PolarHBondContact O-N 2.91Å; N100-Q103 VanDerWaalsContact O-N 3.08Å
101A75Confident79.3Confident11 Ų1147.3 Ų47.39%0.09124%0.244CC..Hα-helixtrans-57.8-32.3172.800000112.9E60 A65 S99 Q103 L104 F105E60-A101 HydrophobicContact CG-CB 4.18Å; E60-A101 WeakPolarHBondContact OE1-CB 3.38Å; A65-A101 HydrophobicContact CB-CB 3.69Å; S99-A101 PolarHBondContact O-N 3.37Å; S99-A101 VanDerWaalsContact O-N 3.08Å; S99-A101 WeakPolarHBondContact OG-CB 3.17Å; A101-Q103 PolarHBondContact O-N 2.76Å; A101-L104 WeakPolarHBondContact O-CB 3.44Å; A101-L104 PolarHBondContact O-N 3.41Å; A101-F105 HydrophobicContact CB-CD2 4.44Å; A101-F105 HydrophobicContact CB-CE2 3.91Å; A101-F105 WeakPolarHBondContact O-CD2 3.43Å; A101-F105 PolarHBondContact O-N 3.49Å
102S77.3Confident78.4Confident14 Ų1448.9 Ų48.910%0.09826%0.257CS..Hα-helixtrans-58-31.6175.3-620000112.7S99 N100 H106S99-S102 VanDerWaalsContact O-CB 3.22Å; S99-S102 WeakPolarHBondContact O-CB 3.17Å; S99-S102 PolarHBondContact O-N 2.86Å; S99-S102 PolarHBondContact O-OG 3.31Å; N100-S102 PolarHBondContact O-N 3.44Å; S102-H106 VanDerWaalsContact O-CB 3.29Å; S102-H106 WeakPolarHBondContact O-CB 3.34Å; S102-H106 PolarHBondContact O-N 2.99Å
103Q77.7Confident77.5Confident72 Ų7249 Ų4934%0.33626%0.258SS..Hα-helixtrans-68-43.7175.4-176.4176.3-15.400111.5N100 A101 F105 H106 D107N100-Q103 WeakPolarHBondContact O-CB 3.37Å; N100-Q103 PolarHBondContact O-N 2.91Å; N100-Q103 VanDerWaalsContact O-N 3.08Å; A101-Q103 PolarHBondContact O-N 2.76Å; Q103-F105 PolarHBondContact O-N 2.91Å; Q103-H106 PolarHBondContact O-N 3.26Å; Q103-D107 PolarHBondContact O-N 2.87Å
104L81Confident76.2Confident77 Ų7752.7 Ų52.740%0.40328%0.282SS..Hα-helixtrans-63-43.1177.9-65174.5000111.3A65 A101 H106 D107 Y108A65-L104 HydrophobicContact CB-CB 4.38Å; A65-L104 HydrophobicContact CB-CD1 3.93Å; A101-L104 WeakPolarHBondContact O-CB 3.44Å; A101-L104 PolarHBondContact O-N 3.41Å; L104-H106 VanDerWaalsContact C-N 3.35Å; L104-D107 PolarHBondContact O-N 3.45Å; L104-Y108 PolarHBondContact O-N 3.31Å
105F82.3Confident75.1Confident5 Ų560.9 Ų60.92%0.02232%0.317CS..Hα-helixtrans-62.4-44.5174.9-63-49.1000111.5I36 Y58 A65 I67 W91 A101 Q103 D107 Y108 Y109I36-F105 HydrophobicContact CD1-CD2 3.8Å; I36-F105 HydrophobicContact CD1-CE1 4.21Å; I36-F105 HydrophobicContact CD1-CE2 3.19Å; I36-F105 HydrophobicContact CD1-CZ 3.39Å; Y58-F105 HydrophobicContact CD2-CZ 4.01Å; Y58-F105 HydrophobicContact CG-CZ 4.42Å; A65-F105 HydrophobicContact CB-CE1 3.89Å; A65-F105 HydrophobicContact CB-CE2 4.04Å; A65-F105 HydrophobicContact CB-CZ 3.59Å; I67-F105 HydrophobicContact CD1-CD1 3.39Å; I67-F105 HydrophobicContact CD1-CE1 3.95Å; I67-F105 HydrophobicContact CD1-CG 4.33Å; I67-F105 HydrophobicContact CG1-CD1 3.51Å; I67-F105 HydrophobicContact CG1-CE1 3.55Å; W91-F105 HydrophobicContact CD2-CB 4.43Å; W91-F105 HydrophobicContact CE3-CB 4.45Å; W91-F105 HydrophobicContact CH2-CB 4.21Å; W91-F105 HydrophobicContact CH2-CD2 4.38Å; W91-F105 HydrophobicContact CZ2-CB 4.19Å; W91-F105 HydrophobicContact CZ3-CB 4.33Å; W91-F105 HydrophobicContact CZ3-CD2 4.28Å; A101-F105 HydrophobicContact CB-CD2 4.44Å; A101-F105 HydrophobicContact CB-CE2 3.91Å; A101-F105 WeakPolarHBondContact O-CD2 3.43Å; A101-F105 PolarHBondContact O-N 3.49Å; Q103-F105 PolarHBondContact O-N 2.91Å; F105-D107 PolarHBondContact O-N 3.36Å; F105-Y108 WeakPolarHBondContact O-CB 3.34Å; F105-Y108 PolarHBondContact O-N 3.48Å; F105-Y109 WeakPolarHBondContact O-CD2 3.39Å; F105-Y109 PolarHBondContact O-N 3.37Å
106H80.8Confident74Confident0 Ų067 Ų670%034%0.342CS..Hα-helixtrans-62.7-42.4178.2178.765.6000112.9S102 Q103 L104 Y108 Y109 M110 L146 L160S102-H106 VanDerWaalsContact O-CB 3.29Å; S102-H106 WeakPolarHBondContact O-CB 3.34Å; S102-H106 PolarHBondContact O-N 2.99Å; Q103-H106 PolarHBondContact O-N 3.26Å; L104-H106 VanDerWaalsContact C-N 3.35Å; H106-Y108 VanDerWaalsContact C-N 3.31Å; H106-Y108 PolarHBondContact O-N 3.18Å; H106-Y109 PolarHBondContact O-N 3Å; H106-M110 VanDerWaalsContact CE1-CE 3.45Å; H106-M110 WeakPolarHBondContact CE1-CE 3.39Å; H106-M110 WeakPolarHBondContact NE2-CE 3.09Å; H106-M110 PolarHBondContact NE2-SD 3.33Å; H106-M110 VanDerWaalsContact NE2-SD 3.41Å; H106-M110 WeakPolarHBondContact O-CB 3.4Å; H106-M110 WeakPolarHBondContact O-CG 3.25Å; H106-M110 PolarHBondContact O-N 2.91Å; H106-L146 HydrophobicContact CB-CD1 3.96Å; H106-L146 WeakPolarHBondContact CE1-CB 3.19Å; H106-L146 WeakPolarHBondContact ND1-CD1 3.48Å; H106-L160 HydrophobicContact CB-CD2 4.1Å; H106-L160 WeakPolarHBondContact CD2-CD1 3.3Å; H106-L160 WeakPolarHBondContact NE2-CD1 3.48Å
107D82Confident72.8Confident47 Ų4768.1 Ų68.125%0.25136%0.363SS..Hα-helixtrans-61.9-41.6176.3-76.5-25.4000111.2Q103 L104 F105 M110 E111 K148Q103-D107 PolarHBondContact O-N 2.87Å; L104-D107 PolarHBondContact O-N 3.45Å; F105-D107 PolarHBondContact O-N 3.36Å; D107-M110 PolarHBondContact O-N 2.94Å; D107-E111 PolarHBondContact O-N 3.48Å; D107-E111 VanDerWaalsContact O-N 3.16Å; D107-K148 WeakPolarHBondContact OD1-CE 3.46Å; D107-K148 IonicContact OD1-NZ 3.87Å; D107-K148 PolarHBondContact OD1-NZ 3.1Å
108Y83.3Confident71.5Confident35 Ų3566.2 Ų66.214%0.13737%0.366CS..Hα-helixtrans-60.9-46.5173.9175.2-103.9000112.8I67 R69 N72 L104 F105 H106 E111 A112I67-Y108 HydrophobicContact CB-CD1 4.27Å; I67-Y108 HydrophobicContact CB-CE1 4.07Å; I67-Y108 HydrophobicContact CD1-CD1 3.66Å; I67-Y108 HydrophobicContact CD1-CE1 4.01Å; I67-Y108 HydrophobicContact CD1-CG 4.5Å; I67-Y108 HydrophobicContact CG1-CD1 4.44Å; I67-Y108 HydrophobicContact CG2-CD1 4.48Å; I67-Y108 HydrophobicContact CG2-CE1 3.86Å; R69-Y108 WeakPolarHBondContact CA-OH 3.4Å; R69-Y108 HydrophobicContact CB-CE2 4.44Å; R69-Y108 HydrophobicContact CG-CE2 3.57Å; N72-Y108 PolarHBondContact ND2-OH 3.17Å; L104-Y108 PolarHBondContact O-N 3.31Å; F105-Y108 WeakPolarHBondContact O-CB 3.34Å; F105-Y108 PolarHBondContact O-N 3.48Å; H106-Y108 VanDerWaalsContact C-N 3.31Å; H106-Y108 PolarHBondContact O-N 3.18Å; Y108-E111 WeakPolarHBondContact O-CB 3.31Å; Y108-E111 PolarHBondContact O-N 3.44Å; Y108-E111 VanDerWaalsContact O-N 3.17Å; Y108-A112 WeakPolarHBondContact O-CB 3.35Å; Y108-A112 PolarHBondContact O-N 3Å
109Y83.4Confident69.9Low0 Ų064.9 Ų64.90%038%0.376CS..Hα-helixtrans-71.1-30.4178.8-76.2-70.8000112.8T38 I67 I88 W91 F105 H106 E111 A112 V113T38-Y109 HydrophobicContact CG2-CE1 3.8Å; T38-Y109 WeakPolarHBondContact OG1-CE1 3.4Å; T38-Y109 PolarHBondContact OG1-OH 3.45Å; I67-Y109 HydrophobicContact CD1-CD2 4.43Å; I67-Y109 HydrophobicContact CD1-CE2 3.57Å; I88-Y109 HydrophobicContact CG2-CD1 4.28Å; W91-Y109 HydrophobicContact CB-CD2 3.52Å; W91-Y109 HydrophobicContact CB-CE1 4.3Å; W91-Y109 HydrophobicContact CB-CE2 3.27Å; W91-Y109 HydrophobicContact CB-CG 4.15Å; W91-Y109 AromaticContact CD1-CD2 3.5Å; W91-Y109 VanDerWaalsContact CD1-CD2 3.5Å; W91-Y109 HydrophobicContact CD2-CD2 4.34Å; W91-Y109 HydrophobicContact CD2-CE2 4.38Å; W91-Y109 AromaticContact CG-CD2 3.51Å; W91-Y109 HydrophobicContact CG-CD2 3.51Å; W91-Y109 AromaticContact CG-CE2 3.66Å; W91-Y109 HydrophobicContact CG-CE2 3.66Å; W91-Y109 HydrophobicContact CG-CG 4.3Å; F105-Y109 WeakPolarHBondContact O-CD2 3.39Å; F105-Y109 PolarHBondContact O-N 3.37Å; H106-Y109 PolarHBondContact O-N 3Å; Y109-E111 PolarHBondContact O-N 2.9Å; Y109-A112 PolarHBondContact O-N 3.45Å; Y109-V113 WeakPolarHBondContact O-CB 3.46Å; Y109-V113 WeakPolarHBondContact O-CG2 3.43Å; Y109-V113 PolarHBondContact O-N 3.34Å
110M80Confident68.6Low44 Ų4474.6 Ų74.622%0.21741%0.407CS..Hα-helixtrans-61.8-31.2169.8-85.4-159.6164.400112.8H106 D107 V125 K148H106-M110 VanDerWaalsContact CE1-CE 3.45Å; H106-M110 WeakPolarHBondContact CE1-CE 3.39Å; H106-M110 WeakPolarHBondContact NE2-CE 3.09Å; H106-M110 PolarHBondContact NE2-SD 3.33Å; H106-M110 VanDerWaalsContact NE2-SD 3.41Å; H106-M110 WeakPolarHBondContact O-CB 3.4Å; H106-M110 WeakPolarHBondContact O-CG 3.25Å; H106-M110 PolarHBondContact O-N 2.91Å; D107-M110 PolarHBondContact O-N 2.94Å; M110-V125 HydrophobicContact CG-CG2 3.91Å; M110-K148 HydrophobicContact CE-CD 4.34Å; M110-K148 HydrophobicContact CE-CG 4.29Å; M110-K148 HydrophobicContact SD-CD 3.95Å; M110-K148 WeakPolarHBondContact SD-CE 3.36Å; M110-K148 HydrophobicContact SD-CG 4.49Å
111E79.7Confident67.8Low140 Ų14074.8 Ų74.865%0.65441%0.408SS*.Hα-helixtrans-79.6-38.8173.4-69.7-179.3176.200112.4D107 Y108 Y109D107-E111 PolarHBondContact O-N 3.48Å; D107-E111 VanDerWaalsContact O-N 3.16Å; Y108-E111 WeakPolarHBondContact O-CB 3.31Å; Y108-E111 PolarHBondContact O-N 3.44Å; Y108-E111 VanDerWaalsContact O-N 3.17Å; Y109-E111 PolarHBondContact O-N 2.9Å
112A73.4Confident67.1Low34 Ų3480.3 Ų80.328%0.28144%0.44SS..Hα-helixtrans-73.8-30.2-176.900000113.5Y108 Y109Y108-A112 WeakPolarHBondContact O-CB 3.35Å; Y108-A112 PolarHBondContact O-N 3Å; Y109-A112 PolarHBondContact O-N 3.45Å
113V71.4Confident66.7Low4 Ų481.1 Ų81.12%0.02445%0.445CS..SBendtrans-67.2123.5176.9171.70000109I88 Y109 K115 V125I88-V113 HydrophobicContact CB-CG2 4.49Å; I88-V113 HydrophobicContact CG2-CG2 4Å; Y109-V113 WeakPolarHBondContact O-CB 3.46Å; Y109-V113 WeakPolarHBondContact O-CG2 3.43Å; Y109-V113 PolarHBondContact O-N 3.34Å; V113-K115 PolarHBondContact O-N 3.38Å; V113-V125 HydrophobicContact CG2-CG2 4.34Å
114P62.8Low66.6Low84 Ų8479 Ų7955%0.54544%0.437SS..  trans-63.2109.2179.925-32.6000109.2K116P114-K116 PolarHBondContact O-N 2.94Å
115K59.3Low66.8Low174 Ų17475.5 Ų75.576%0.75742%0.419SS*.  trans-58.3109.7169.8-66.4179-176.4172.70106.9V113 A117V113-K115 PolarHBondContact O-N 3.38Å; K115-A117 PolarHBondContact O-N 3.17Å; K115-A117 VanDerWaalsContact O-N 3.1Å
116K53.3Low67Low149 Ų14975.3 Ų75.365%0.64842%0.418SS*.  trans-53.7124172.6-73.9-175.2178.71770107.2P114 S118P114-K116 PolarHBondContact O-N 2.94Å; K116-S118 PolarHBondContact O-N 3.08Å
117A43.5Very low67.4Low113 Ų11375.4 Ų75.493%0.93442%0.419SS*.SBendtrans-61.5-7.3-175.400000114K115 G119K115-A117 PolarHBondContact O-N 3.17Å; K115-A117 VanDerWaalsContact O-N 3.1Å; A117-G119 PolarHBondContact O-N 3.4Å
118S41.7Very low67.7Low109 Ų10973.2 Ų73.276%0.76241%0.407SS*.SBendtrans-8998.4174.6-122.30000110K116 R120K116-S118 PolarHBondContact O-N 3.08Å; S118-R120 PolarHBondContact O-N 3.25Å
119G37.1Very low68Low67 Ų6771.7 Ų71.769%0.69140%0.401SS*.THydrogen-bonded Turntrans-56.9120.4-17900000113.2A117A117-G119 PolarHBondContact O-N 3.4Å
120R42.8Very low68.2Low240 Ų24072 Ų7291%0.90640%0.403SS*.THydrogen-bonded Turntrans172-22.2134.2-92.9166-154-174.86.7112.7S118S118-R120 PolarHBondContact O-N 3.25Å
121D55Low68.4Low152 Ų15271.1 Ų71.181%0.81340%0.399SS*.  trans-107.8113.5-176.8-63.7-33.5000111.5T123D121-T123 PolarHBondContact O-N 3.3Å
122V61.5Low68.2Low126 Ų12666.5 Ų66.576%0.76438%0.381SS*.  trans-62.6115.7168.51780000107.2P124V122-P124 WeakPolarHBondContact O-CD 3.48Å
123T68.8Low68.1Low32 Ų3270.6 Ų70.620%0.19640%0.398CS..PPolyproline II helixtrans-62.9118174.343.90000108.7D121 V125D121-T123 PolarHBondContact O-N 3.3Å; T123-V125 PolarHBondContact O-N 2.78Å
124P75.9Confident68Low28 Ų2874.9 Ų74.918%0.18242%0.416CS..PPolyproline II helixtrans-67.1129.9-179.126.8-32.1000109.3F6 Y43 V122 V145F6-P124 HydrophobicContact CE2-CG 3.68Å; F6-P124 HydrophobicContact CZ-CB 4.28Å; F6-P124 HydrophobicContact CZ-CG 3.67Å; Y43-P124 HydrophobicContact CE1-CG 4.33Å; Y43-P124 WeakPolarHBondContact CE1-O 3.36Å; Y43-P124 PolarHBondContact OH-O 2.95Å; V122-P124 WeakPolarHBondContact O-CD 3.48Å; P124-V145 HydrophobicContact CB-CG1 3.7Å; P124-V145 HydrophobicContact CB-CG2 4.48Å
125V84Confident68Low3 Ų380.4 Ų80.42%0.01844%0.435CS..PPolyproline II helixtrans-86.8120.8170.6-179.80000107.1M110 V113 T123M110-V125 HydrophobicContact CG-CG2 3.91Å; V113-V125 HydrophobicContact CG2-CG2 4.34Å; T123-V125 PolarHBondContact O-N 2.78Å
126V87.1Confident68.2Low0 Ų075 Ų750%043%0.428CS..EExtended strand (participates in β ladder)trans-87.1131.3177.8-178.40000109.2F6 V8 V48 V89 G90 W91 V145F6-V126 HydrophobicContact CE1-CG2 4.24Å; F6-V126 HydrophobicContact CZ-CG2 4.29Å; V8-V126 HydrophobicContact CG1-CG1 4.18Å; V8-V126 HydrophobicContact CG2-CG1 3.94Å; V8-V126 HydrophobicContact CG2-CG2 4.04Å; V48-V126 HydrophobicContact CB-CG2 4.37Å; V48-V126 HydrophobicContact CG1-CG2 4.04Å; V48-V126 HydrophobicContact CG2-CG2 4.42Å; V89-V126 HydrophobicContact CG1-CB 4.25Å; V89-V126 HydrophobicContact CG1-CG2 4.09Å; V89-V126 PolarHBondContact O-N 2.88Å; G90-V126 WeakPolarHBondContact CA-O 3.38Å; W91-V126 PolarHBondContact N-O 3.43Å; V126-V145 HydrophobicContact CG2-CG2 4.34Å
127H89.1Confident68.8Low2 Ų277.5 Ų77.51%0.00944%0.442CS..EExtended strand (participates in β ladder)trans-110.8115.1169.7175.3-148.3000108.7W91 S93 F144 L146W91-H127 AromaticContact CD2-CD2 3.72Å; W91-H127 AromaticContact CE2-CD2 3.57Å; W91-H127 AromaticContact CE2-CG 3.82Å; W91-H127 AromaticContact CE3-CD2 3.76Å; W91-H127 AromaticContact CE3-NE2 3.96Å; W91-H127 AromaticContact CH2-CD2 3.56Å; W91-H127 AromaticContact CH2-CE1 3.6Å; W91-H127 AromaticContact CH2-NE2 3.22Å; W91-H127 WeakPolarHBondContact CH2-NE2 3.44Å; W91-H127 HydrophobicContact CZ2-CB 4.37Å; W91-H127 AromaticContact CZ2-CD2 3.5Å; W91-H127 AromaticContact CZ2-CE1 3.82Å; W91-H127 AromaticContact CZ2-CG 3.67Å; W91-H127 AromaticContact CZ2-ND1 3.86Å; W91-H127 AromaticContact CZ2-NE2 3.62Å; W91-H127 AromaticContact CZ3-CD2 3.7Å; W91-H127 AromaticContact CZ3-NE2 3.43Å; W91-H127 WeakPolarHBondContact CZ3-NE2 3.26Å; W91-H127 WeakPolarHBondContact O-CA 3.4Å; S93-H127 PolarHBondContact OG-NE2 3.38Å; H127-F144 PolarHBondContact N-O 3.38Å; H127-F144 PolarHBondContact O-N 3.18Å; H127-L146 HydrophobicContact CB-CD1 3.51Å; H127-L146 HydrophobicContact CB-CG 4.16Å
128L89.1Confident70.1Confident1 Ų178.9 Ų78.91%0.00543%0.434CS..EExtended strand (participates in β ladder)trans-104.2118.7-178.5-168.7153000109V10 I18 L39 W91 Y92 S93 V130 I141V10-L128 HydrophobicContact CG1-CD1 4.24Å; V10-L128 HydrophobicContact CG2-CD1 3.75Å; I18-L128 HydrophobicContact CD1-CD2 3.92Å; L39-L128 HydrophobicContact CD1-CB 3.69Å; L39-L128 HydrophobicContact CD1-CD1 4.4Å; W91-L128 PolarHBondContact O-N 2.86Å; Y92-L128 CarbonylContact C-O 3.58Å; Y92-L128 WeakPolarHBondContact CA-O 3.26Å; Y92-L128 WeakPolarHBondContact CB-O 3.47Å; S93-L128 PolarHBondContact N-O 3.48Å; L128-V130 HydrophobicContact CD2-CG2 3.17Å; L128-I141 HydrophobicContact CD1-CG2 4.37Å; L128-I141 HydrophobicContact CD2-CG2 3.83Å; L128-I141 HydrophobicContact CG-CG2 4.02Å
129I89.3Confident71.3Confident4 Ų479.1 Ų79.12%0.02143%0.426CS..EExtended strand (participates in β ladder)trans-99.5121.3175.7-55.7-172.7000107.5S93 I98 I141 E142 F144S93-I129 WeakPolarHBondContact O-CA 3.35Å; I98-I129 HydrophobicContact CD1-CD1 4.4Å; I98-I129 HydrophobicContact CG1-CD1 4.09Å; I129-I141 WeakPolarHBondContact O-CA 3.27Å; I129-E142 PolarHBondContact N-O 2.99Å; I129-E142 PolarHBondContact O-N 3.35Å; I129-F144 HydrophobicContact CB-CE2 4.4Å; I129-F144 HydrophobicContact CD1-CD2 3.77Å; I129-F144 HydrophobicContact CD1-CE2 3.56Å; I129-F144 HydrophobicContact CG1-CD2 3.96Å; I129-F144 HydrophobicContact CG1-CE2 4Å
130V86.6Confident73.2Confident6 Ų676.4 Ų76.44%0.03640%0.398CS..EExtended strand (participates in β ladder)trans-111.1109.3171.8-174.70000107.9I18 S93 T94 L128 V132 I141I18-V130 HydrophobicContact CD1-CG2 3.74Å; I18-V130 HydrophobicContact CG2-CB 4.08Å; I18-V130 HydrophobicContact CG2-CG1 4.45Å; I18-V130 HydrophobicContact CG2-CG2 3.89Å; S93-V130 PolarHBondContact O-N 2.92Å; T94-V130 CarbonylContact C-O 3.52Å; T94-V130 WeakPolarHBondContact CA-O 3.38Å; L128-V130 HydrophobicContact CD2-CG2 3.17Å; V130-V132 HydrophobicContact CG1-CG2 4.37Å; V130-V132 PolarHBondContact O-N 2.89Å; V130-I141 HydrophobicContact CG1-CG1 4.23Å; V130-I141 HydrophobicContact CG2-CG1 4.29Å; V130-I141 HydrophobicContact CG2-CG2 4.49Å
131D84Confident75.2Confident26 Ų2666 Ų6614%0.13936%0.36CS..  trans-80.2112.9171.9-166.3-14.8000110N133 K134 G140D131-N133 PolarHBondContact OD1-N 2.96Å; D131-K134 HydrophobicContact CB-CB 4.24Å; D131-K134 HydrophobicContact CB-CD 3.83Å; D131-K134 HydrophobicContact CB-CG 4.16Å; D131-K134 PolarHBondContact OD1-N 2.93Å; D131-K134 VanDerWaalsContact OD2-CD 3.28Å; D131-K134 WeakPolarHBondContact OD2-CD 3.47Å; D131-K134 WeakPolarHBondContact OD2-CE 3.49Å; D131-K134 WeakPolarHBondContact OD2-CG 3.33Å; D131-K134 IonicContact OD2-NZ 3.41Å; D131-G140 PolarHBondContact N-O 3.15Å
132V76.2Confident76.7Confident43 Ų4362.7 Ų62.726%0.26134%0.34SS..SBendtrans-86.9-12.9-179.5-168.80000111.8Y22 T94 V130Y22-V132 HydrophobicContact CD1-CB 4.09Å; Y22-V132 HydrophobicContact CD1-CG1 3.56Å; Y22-V132 HydrophobicContact CD1-CG2 4.16Å; Y22-V132 HydrophobicContact CD2-CB 4.28Å; Y22-V132 HydrophobicContact CD2-CG2 3.81Å; Y22-V132 HydrophobicContact CE1-CB 3.77Å; Y22-V132 HydrophobicContact CE1-CG1 3.39Å; Y22-V132 HydrophobicContact CE1-CG2 4.27Å; Y22-V132 HydrophobicContact CE2-CB 3.95Å; Y22-V132 HydrophobicContact CE2-CG1 4.46Å; Y22-V132 HydrophobicContact CE2-CG2 3.91Å; Y22-V132 HydrophobicContact CG-CB 4.33Å; Y22-V132 HydrophobicContact CG-CG1 4.18Å; Y22-V132 HydrophobicContact CG-CG2 3.92Å; T94-V132 HydrophobicContact CG2-CG2 4.29Å; V130-V132 HydrophobicContact CG1-CG2 4.37Å; V130-V132 PolarHBondContact O-N 2.89Å
133N72.1Confident78Confident120 Ų12056.9 Ų56.964%0.64231%0.305SS*.SBendtrans-104.60.2-176.5-61.2-33.4000113Y22 D131 E135Y22-N133 PolarHBondContact OH-OD1 2.85Å; D131-N133 PolarHBondContact OD1-N 2.96Å; N133-E135 PolarHBondContact O-N 2.9Å
134K68.2Low78.8Confident93 Ų9356.4 Ų56.440%0.40430%0.3SS..  trans-69.5111176.3-102.1170.7-164.5172.20110.2D131 G136 E142D131-K134 HydrophobicContact CB-CB 4.24Å; D131-K134 HydrophobicContact CB-CD 3.83Å; D131-K134 HydrophobicContact CB-CG 4.16Å; D131-K134 PolarHBondContact OD1-N 2.93Å; D131-K134 VanDerWaalsContact OD2-CD 3.28Å; D131-K134 WeakPolarHBondContact OD2-CD 3.47Å; D131-K134 WeakPolarHBondContact OD2-CE 3.49Å; D131-K134 WeakPolarHBondContact OD2-CG 3.33Å; D131-K134 IonicContact OD2-NZ 3.41Å; K134-G136 PolarHBondContact O-N 3.23Å; K134-E142 IonicContact NZ-OE1 3.04Å; K134-E142 PolarHBondContact NZ-OE1 2.89Å
135E62.9Low79.2Confident201 Ų20155.1 Ų55.194%0.93929%0.292SS*.  trans-82.1101.3165.2-64.7-175.3168.700108.3N133N133-E135 PolarHBondContact O-N 2.9Å
136G63.8Low78.9Confident61 Ų6155.3 Ų55.363%0.62929%0.293SS*.SBendtrans-174.5171.4-18000000113.8K134 D138K134-G136 PolarHBondContact O-N 3.23Å; G136-D138 VanDerWaalsContact C-N 3.29Å
137E66.1Low78.4Confident201 Ų20159.1 Ų59.194%0.93931%0.31SS*.SBendtrans-74.9-20.7174-66.9-170.3160.600112.6
138D70.9Confident77.5Confident141 Ų14163 Ų6375%0.75433%0.327SS*.SBendtrans-81.1133177.6-72.5-25.7000110.5G136 G140G136-D138 VanDerWaalsContact C-N 3.29Å; D138-G140 PolarHBondContact O-N 2.8Å
139L67.7Low76.6Confident115 Ų11565.4 Ų65.460%0.60234%0.342SS*.  trans-62.63.4-177-88.6137.7000115.2I141 L169L139-I141 HydrophobicContact CB-CD1 4.07Å; L139-I141 HydrophobicContact CD2-CD1 4.48Å; L139-I141 WeakPolarHBondContact O-CG1 3.4Å; L139-I141 PolarHBondContact O-N 2.93Å; L139-L169 HydrophobicContact CD1-CD1 3.77Å
140G77.1Confident75.5Confident9 Ų971.2 Ų71.29%0.09337%0.367CS..  trans62.817.1172.900000114.8D131 D138D131-G140 PolarHBondContact N-O 3.15Å; D138-G140 PolarHBondContact O-N 2.8Å
141I84.8Confident74.8Confident23 Ų2373.9 Ų73.912%0.11838%0.383CS..EExtended strand (participates in β ladder)trans-106122.9-176.6-56.3151.5000110I15 L128 I129 V130 L139 L167I15-I141 HydrophobicContact CD1-CD1 3.36Å; I15-I141 HydrophobicContact CG1-CD1 3.75Å; I15-I141 HydrophobicContact CG2-CD1 4.3Å; L128-I141 HydrophobicContact CD1-CG2 4.37Å; L128-I141 HydrophobicContact CD2-CG2 3.83Å; L128-I141 HydrophobicContact CG-CG2 4.02Å; I129-I141 WeakPolarHBondContact O-CA 3.27Å; V130-I141 HydrophobicContact CG1-CG1 4.23Å; V130-I141 HydrophobicContact CG2-CG1 4.29Å; V130-I141 HydrophobicContact CG2-CG2 4.49Å; L139-I141 HydrophobicContact CB-CD1 4.07Å; L139-I141 HydrophobicContact CD2-CD1 4.48Å; L139-I141 WeakPolarHBondContact O-CG1 3.4Å; L139-I141 PolarHBondContact O-N 2.93Å; I141-L167 HydrophobicContact CB-CD1 4.37Å; I141-L167 HydrophobicContact CG2-CD1 3.48Å; I141-L167 VanDerWaalsContact CG2-CD1 3.48Å
142E86.3Confident73.9Confident81 Ų8178.3 Ų78.338%0.37941%0.413SS..EExtended strand (participates in β ladder)trans-123.6130.2177.1-64.5178.6-16400109.4I129 K134 F144I129-E142 PolarHBondContact N-O 2.99Å; I129-E142 PolarHBondContact O-N 3.35Å; K134-E142 IonicContact NZ-OE1 3.04Å; K134-E142 PolarHBondContact NZ-OE1 2.89Å; E142-F144 HydrophobicContact CB-CD2 4.4Å; E142-F144 HydrophobicContact CB-CE2 3.55Å; E142-F144 HydrophobicContact CB-CZ 3.96Å; E142-F144 VanDerWaalsContact OE2-CZ 3.29Å; E142-F144 WeakPolarHBondContact OE2-CZ 3.42Å
143A87.6Confident73.4Confident4 Ų484.8 Ų84.83%0.03344%0.44CS..EExtended strand (participates in β ladder)trans-105.2127.4175.300000109.6V8 V165 L167V8-A143 HydrophobicContact CB-CB 4.13Å; V8-A143 HydrophobicContact CG1-CB 4.28Å; V8-A143 HydrophobicContact CG2-CB 4.24Å; A143-V165 PolarHBondContact O-N 3.16Å; A143-L167 HydrophobicContact CB-CB 4.45Å; A143-L167 HydrophobicContact CB-CD1 4.03Å
144F86.2Confident72.9Confident23 Ų2381 Ų8110%0.10142%0.423CS..EExtended strand (participates in β ladder)trans-116.7141.7175.5-61.4-84.2000110H127 I129 E142 L162 V163 P164H127-F144 PolarHBondContact N-O 3.38Å; H127-F144 PolarHBondContact O-N 3.18Å; I129-F144 HydrophobicContact CB-CE2 4.4Å; I129-F144 HydrophobicContact CD1-CD2 3.77Å; I129-F144 HydrophobicContact CD1-CE2 3.56Å; I129-F144 HydrophobicContact CG1-CD2 3.96Å; I129-F144 HydrophobicContact CG1-CE2 4Å; E142-F144 HydrophobicContact CB-CD2 4.4Å; E142-F144 HydrophobicContact CB-CE2 3.55Å; E142-F144 HydrophobicContact CB-CZ 3.96Å; E142-F144 VanDerWaalsContact OE2-CZ 3.29Å; E142-F144 WeakPolarHBondContact OE2-CZ 3.42Å; F144-L162 HydrophobicContact CB-CB 4.28Å; F144-L162 HydrophobicContact CB-CD2 3.45Å; F144-L162 VanDerWaalsContact CB-CD2 3.45Å; F144-L162 HydrophobicContact CD1-CB 3.89Å; F144-L162 HydrophobicContact CD1-CD2 4.3Å; F144-L162 HydrophobicContact CD2-CD2 4.37Å; F144-L162 HydrophobicContact CG-CB 4.26Å; F144-L162 HydrophobicContact CG-CD2 3.8Å; F144-V163 CarbonylContact C-O 3.59Å; F144-V163 WeakPolarHBondContact CA-O 3.39Å; F144-P164 HydrophobicContact CD1-CB 4.12Å; F144-P164 HydrophobicContact CE1-CB 3.93Å
145V84.7Confident72.5Confident1 Ų186.4 Ų86.41%0.00645%0.45CS..EExtended strand (participates in β ladder)trans-106.2131164173.80000108.5I2 F6 P124 V126 V163 V165I2-V145 HydrophobicContact CD1-CB 4.38Å; I2-V145 HydrophobicContact CD1-CG1 3.39Å; I2-V145 HydrophobicContact CG1-CG1 4.48Å; F6-V145 HydrophobicContact CD1-CG2 3.78Å; F6-V145 HydrophobicContact CE1-CG2 3.42Å; F6-V145 VanDerWaalsContact CE1-CG2 3.42Å; F6-V145 HydrophobicContact CZ-CG2 4.34Å; P124-V145 HydrophobicContact CB-CG1 3.7Å; P124-V145 HydrophobicContact CB-CG2 4.48Å; V126-V145 HydrophobicContact CG2-CG2 4.34Å; V145-V163 PolarHBondContact N-O 2.87Å; V145-V163 PolarHBondContact O-N 3.41Å; V145-V165 HydrophobicContact CB-CG2 3.89Å; V145-V165 HydrophobicContact CG2-CG2 3.52Å
146L77.6Confident72.1Confident7 Ų778.1 Ų78.14%0.03742%0.418CS..EExtended strand (participates in β ladder)trans-93.7118.4-171.5-75.3166.6000109.8W91 H106 H127 L160 L162W91-L146 HydrophobicContact CZ2-CD1 4.48Å; H106-L146 HydrophobicContact CB-CD1 3.96Å; H106-L146 WeakPolarHBondContact CE1-CB 3.19Å; H106-L146 WeakPolarHBondContact ND1-CD1 3.48Å; H127-L146 HydrophobicContact CB-CD1 3.51Å; H127-L146 HydrophobicContact CB-CG 4.16Å; L146-L160 HydrophobicContact CB-CD1 4.24Å; L146-L160 HydrophobicContact CD1-CD2 4.46Å; L146-L160 HydrophobicContact CD2-CD1 4.07Å; L146-L160 HydrophobicContact CD2-CD2 3.33Å; L146-L160 HydrophobicContact CD2-CG 3.5Å; L146-L160 HydrophobicContact CG-CD2 4.4Å; L146-L162 HydrophobicContact CD2-CB 4.48Å; L146-L162 HydrophobicContact CD2-CD2 3.18Å; L146-L162 HydrophobicContact CD2-CG 3.53Å; L146-L162 HydrophobicContact CG-CD2 3.91Å
147Q75.1Confident71.8Confident80 Ų8081.3 Ų81.337%0.37442%0.415SS..EExtended strand (participates in β ladder)trans-116.7123.7177.8-172.1174.2-7.900110.1V149 L161Q147-V149 HydrophobicContact CG-CG2 4.38Å; Q147-V149 PolarHBondContact O-N 3.4Å; Q147-L161 PolarHBondContact N-O 2.93Å; Q147-L161 PolarHBondContact O-N 2.69Å
148K71.5Confident71.4Confident84 Ų8477.6 Ų77.637%0.36540%0.398SS..EExtended strand (participates in β ladder)trans-70.8115.8170.3-69.5-177172.7179.40108.9D107 M110 F157 L160D107-K148 WeakPolarHBondContact OD1-CE 3.46Å; D107-K148 IonicContact OD1-NZ 3.87Å; D107-K148 PolarHBondContact OD1-NZ 3.1Å; M110-K148 HydrophobicContact CE-CD 4.34Å; M110-K148 HydrophobicContact CE-CG 4.29Å; M110-K148 HydrophobicContact SD-CD 3.95Å; M110-K148 WeakPolarHBondContact SD-CE 3.36Å; M110-K148 HydrophobicContact SD-CG 4.49Å; K148-F157 HydrophobicContact CB-CD1 4.31Å; K148-L160 HydrophobicContact CG-CD1 4.25Å
149V69.4Low70.9Confident51 Ų5173.1 Ų73.131%0.30938%0.377SS..EExtended strand (participates in β ladder)trans-107.7139.6177.8179.90000108.5Q147 S159 L161Q147-V149 HydrophobicContact CG-CG2 4.38Å; Q147-V149 PolarHBondContact O-N 3.4Å; V149-S159 PolarHBondContact N-O 2.86Å; V149-S159 PolarHBondContact O-OG 3.44Å; V149-L161 HydrophobicContact CG2-CB 3.62Å; V149-L161 HydrophobicContact CG2-CD2 3.97Å; V149-L161 HydrophobicContact CG2-CG 4.45Å
150K67.1Low71Confident125 Ų12569.6 Ų69.654%0.54336%0.359SS..  trans-81.8120.8168.3-66.3-170.1178.8-169.60108F157K150-F157 HydrophobicContact CD-CD1 4.27Å; K150-F157 HydrophobicContact CD-CE1 3.94Å; K150-F157 HydrophobicContact CD-CZ 4.18Å; K150-F157 VanDerWaalsContact CE-CE2 3.42Å; K150-F157 HydrophobicContact CG-CD1 3.4Å; K150-F157 VanDerWaalsContact CG-CD1 3.4Å; K150-F157 HydrophobicContact CG-CE1 3.46Å; K150-F157 VanDerWaalsContact CG-CE1 3.46Å; K150-F157 HydrophobicContact CG-CG 4.08Å; K150-F157 HydrophobicContact CG-CZ 4.17Å
151V71.3Confident70.9Confident62 Ų6273.3 Ų73.338%0.37638%0.377SS..  trans-69.5130.3168.5-178.90000107.2H153 S154 S159V151-H153 PolarHBondContact O-N 2.82Å; V151-S154 PolarHBondContact O-N 3.01Å; V151-S159 VanDerWaalsContact CG2-OG 3.26Å; V151-S159 WeakPolarHBondContact CG2-OG 3.16Å
152P65.3Low70.6Confident119 Ų11974.1 Ų74.177%0.77338%0.381SS*.THydrogen-bonded Turntrans-62.73.2-171.118.9-29.8000116.3
153H65.5Low70.5Confident179 Ų17972.6 Ų72.683%0.82938%0.377SS*.THydrogen-bonded Turntrans-129.94.9-176.5-63.785.7000114.8V151V151-H153 PolarHBondContact O-N 2.82Å
154S62.4Low70.4Confident41 Ų4177.1 Ų77.129%0.28741%0.406SS..  trans-126.2136.1176.8-176.70000109.5V151 G156 Q158V151-S154 PolarHBondContact O-N 3.01Å; S154-G156 PolarHBondContact O-N 3.04Å; S154-Q158 PolarHBondContact OG-OE1 3.16Å
155E58.2Low70.4Confident206 Ų20677.1 Ų77.196%0.96341%0.408SS*.SBendtrans-69.1-10.6-179.9-62.2-158.2159.600112.9
156G55.4Low70.4Confident27 Ų2786.1 Ų86.128%0.27844%0.441SS..SBendtrans-99.1148.3178.500000114.7S154 Q158S154-G156 PolarHBondContact O-N 3.04Å; G156-Q158 VanDerWaalsContact C-N 3.32Å; G156-Q158 PolarHBondContact O-N 2.76Å
157F57.3Low70.9Confident128 Ų12888.2 Ų88.256%0.56145%0.452SS*.  trans-69.589.1160.5-65.3-89.7000108.5K148 K150K148-F157 HydrophobicContact CB-CD1 4.31Å; K150-F157 HydrophobicContact CD-CD1 4.27Å; K150-F157 HydrophobicContact CD-CE1 3.94Å; K150-F157 HydrophobicContact CD-CZ 4.18Å; K150-F157 VanDerWaalsContact CE-CE2 3.42Å; K150-F157 HydrophobicContact CG-CD1 3.4Å; K150-F157 VanDerWaalsContact CG-CD1 3.4Å; K150-F157 HydrophobicContact CG-CE1 3.46Å; K150-F157 VanDerWaalsContact CG-CE1 3.46Å; K150-F157 HydrophobicContact CG-CG 4.08Å; K150-F157 HydrophobicContact CG-CZ 4.17Å
158Q57Low71.5Confident124 Ų12489 Ų8958%0.57946%0.456SS*.  trans-107.6-16.3-172.8-75.3-179.5-26.900114.5S154 G156S154-Q158 PolarHBondContact OG-OE1 3.16Å; G156-Q158 VanDerWaalsContact C-N 3.32Å; G156-Q158 PolarHBondContact O-N 2.76Å
159S61.2Low72.2Confident46 Ų4688.7 Ų88.732%0.32246%0.458SS..EExtended strand (participates in β ladder)trans-113.2134.3-18064.70000112.4V149 V151V149-S159 PolarHBondContact N-O 2.86Å; V149-S159 PolarHBondContact O-OG 3.44Å; V151-S159 VanDerWaalsContact CG2-OG 3.26Å; V151-S159 WeakPolarHBondContact CG2-OG 3.16Å
160L69Low73Confident42 Ų4288.9 Ų88.922%0.2246%0.457CS..EExtended strand (participates in β ladder)trans-96.6112.7174.5-168.173.7000108.1H106 L146 K148H106-L160 HydrophobicContact CB-CD2 4.1Å; H106-L160 WeakPolarHBondContact CD2-CD1 3.3Å; H106-L160 WeakPolarHBondContact NE2-CD1 3.48Å; L146-L160 HydrophobicContact CB-CD1 4.24Å; L146-L160 HydrophobicContact CD1-CD2 4.46Å; L146-L160 HydrophobicContact CD2-CD1 4.07Å; L146-L160 HydrophobicContact CD2-CD2 3.33Å; L146-L160 HydrophobicContact CD2-CG 3.5Å; L146-L160 HydrophobicContact CG-CD2 4.4Å; K148-L160 HydrophobicContact CG-CD1 4.25Å
161L76.8Confident73.9Confident87 Ų8784 Ų8446%0.45544%0.439SS..EExtended strand (participates in β ladder)trans-89.1117.1174-176.768.2000108.9Q147 V149 V163Q147-L161 PolarHBondContact N-O 2.93Å; Q147-L161 PolarHBondContact O-N 2.69Å; V149-L161 HydrophobicContact CG2-CB 3.62Å; V149-L161 HydrophobicContact CG2-CD2 3.97Å; V149-L161 HydrophobicContact CG2-CG 4.45Å; L161-V163 HydrophobicContact CD2-CG2 3.89Å; L161-V163 HydrophobicContact CG-CG2 4Å; L161-V163 PolarHBondContact O-N 3.08Å
162L78.1Confident74.6Confident40 Ų4083.7 Ų83.721%0.20944%0.44CS..EExtended strand (participates in β ladder)trans-81109167.7-74.6151.3000108.4I98 F144 L146I98-L162 HydrophobicContact CD1-CD1 3.55Å; I98-L162 HydrophobicContact CG1-CD1 4.09Å; I98-L162 HydrophobicContact CG2-CD1 3.81Å; F144-L162 HydrophobicContact CB-CB 4.28Å; F144-L162 HydrophobicContact CB-CD2 3.45Å; F144-L162 VanDerWaalsContact CB-CD2 3.45Å; F144-L162 HydrophobicContact CD1-CB 3.89Å; F144-L162 HydrophobicContact CD1-CD2 4.3Å; F144-L162 HydrophobicContact CD2-CD2 4.37Å; F144-L162 HydrophobicContact CG-CB 4.26Å; F144-L162 HydrophobicContact CG-CD2 3.8Å; L146-L162 HydrophobicContact CD2-CB 4.48Å; L146-L162 HydrophobicContact CD2-CD2 3.18Å; L146-L162 HydrophobicContact CD2-CG 3.53Å; L146-L162 HydrophobicContact CG-CD2 3.91Å
163V84.4Confident75.5Confident48 Ų4885.7 Ų85.729%0.29144%0.439SS..EExtended strand (participates in β ladder)trans-95.8116.5175-178.50000108F144 V145 L161F144-V163 CarbonylContact C-O 3.59Å; F144-V163 WeakPolarHBondContact CA-O 3.39Å; V145-V163 PolarHBondContact N-O 2.87Å; V145-V163 PolarHBondContact O-N 3.41Å; L161-V163 HydrophobicContact CD2-CG2 3.89Å; L161-V163 HydrophobicContact CG-CG2 4Å; L161-V163 PolarHBondContact O-N 3.08Å
164P84.7Confident76.5Confident99 Ų9982.8 Ų82.864%0.64343%0.434SS*.EExtended strand (participates in β ladder)trans-65.7138.8177.626.9-33.5000110.5F144F144-P164 HydrophobicContact CD1-CB 4.12Å; F144-P164 HydrophobicContact CE1-CB 3.93Å
165V85.9Confident77.5Confident23 Ų2382.7 Ų82.714%0.13943%0.429CS..EExtended strand (participates in β ladder)trans-121.5146.8-175.9176.40000110.6F6 V8 A143 V145 L167F6-V165 HydrophobicContact CD1-CB 4.5Å; F6-V165 HydrophobicContact CD1-CG1 3.62Å; F6-V165 HydrophobicContact CD1-CG2 4.07Å; F6-V165 HydrophobicContact CE1-CG1 4.25Å; F6-V165 VanDerWaalsContact O-CG1 3.24Å; F6-V165 WeakPolarHBondContact O-CG1 3.3Å; V8-V165 HydrophobicContact CB-CG1 4.49Å; V8-V165 HydrophobicContact CG2-CG1 3.85Å; A143-V165 PolarHBondContact O-N 3.16Å; V145-V165 HydrophobicContact CB-CG2 3.89Å; V145-V165 HydrophobicContact CG2-CG2 3.52Å; V165-L167 PolarHBondContact O-N 3.26Å
166R85.7Confident78.7Confident190 Ų19078.9 Ų78.972%0.71741%0.409SS*.EExtended strand (participates in β ladder)trans-64.8116.1175.2-65.9-176.8-177.8-175.20.2110.2T7 V8T7-R166 HydrophobicContact CG2-CB 4.38Å; V8-R166 PolarHBondContact N-O 3.18Å
167L86.7Confident80Confident51 Ų5181.4 Ų81.427%0.26742%0.419SS..EExtended strand (participates in β ladder)trans-91.5133.9174.8-176.3137.4000110.6V8 V10 I141 A143 V165 L169V8-L167 CarbonylContact O-C 3.41Å; V8-L167 WeakPolarHBondContact O-CA 3.17Å; V10-L167 HydrophobicContact CG2-CD1 3.78Å; V10-L167 HydrophobicContact CG2-CG 4.2Å; I141-L167 HydrophobicContact CB-CD1 4.37Å; I141-L167 HydrophobicContact CG2-CD1 3.48Å; I141-L167 VanDerWaalsContact CG2-CD1 3.48Å; A143-L167 HydrophobicContact CB-CB 4.45Å; A143-L167 HydrophobicContact CB-CD1 4.03Å; V165-L167 PolarHBondContact O-N 3.26Å; L167-L169 HydrophobicContact CD2-CD2 3.93Å; L167-L169 HydrophobicContact CD2-CG 3.89Å
168Q88Confident81.2Confident96 Ų9677 Ų7745%0.44941%0.41SS..EExtended strand (participates in β ladder)trans-122.9125.5173.2-69.9-177.8-19.600108.8V8 R9 V10 I170V8-Q168 PolarHBondContact O-N 2.99Å; R9-Q168 CarbonylContact C-O 3.49Å; R9-Q168 VanDerWaalsContact CA-O 3.25Å; R9-Q168 WeakPolarHBondContact CA-O 3.42Å; R9-Q168 HydrophobicContact CG-CB 4.46Å; V10-Q168 PolarHBondContact N-O 2.93Å; Q168-I170 HydrophobicContact CB-CG1 4.43Å; Q168-I170 PolarHBondContact O-N 3.06Å
169L86.6Confident82.5Confident78 Ų7873.4 Ų73.441%0.40839%0.394SS..EExtended strand (participates in β ladder)trans-84.9115.2172.5-66.4172.3000108.8V10 I15 L139 L167V10-L169 HydrophobicContact CB-CD2 4.2Å; V10-L169 WeakPolarHBondContact O-CA 3.37Å; I15-L169 HydrophobicContact CD1-CD2 3.53Å; L139-L169 HydrophobicContact CD1-CD1 3.77Å; L167-L169 HydrophobicContact CD2-CD2 3.93Å; L167-L169 HydrophobicContact CD2-CG 3.89Å
170I87.2Confident83.4Confident56 Ų5672.9 Ų72.929%0.28739%0.393SS..  trans-117119.1179.1-57.5-168.4000107.5R9 V10 H11 P12 Q168R9-I170 HydrophobicContact CB-CD1 3.7Å; R9-I170 HydrophobicContact CB-CG1 4.11Å; R9-I170 HydrophobicContact CG-CD1 3.59Å; R9-I170 HydrophobicContact CG-CG1 4.37Å; V10-I170 PolarHBondContact O-N 3.49Å; H11-I170 WeakPolarHBondContact CA-O 3.33Å; H11-I170 PolarHBondContact ND1-O 3.34Å; P12-I170 WeakPolarHBondContact CD-O 3.46Å; Q168-I170 HydrophobicContact CB-CG1 4.43Å; Q168-I170 PolarHBondContact O-N 3.06Å
171A84.3Confident83.9Confident21 Ų2172.1 Ų72.117%0.17439%0.392CS..  trans-106.7132174.600000109.2P12 E175 K176P12-A171 HydrophobicContact CG-CB 3.81Å; A171-E175 WeakPolarHBondContact CA-OE2 3.48Å; A171-E175 HydrophobicContact CB-CB 4.47Å; A171-K176 HydrophobicContact CB-CD 4.41Å; A171-K176 HydrophobicContact CB-CG 3.58Å; A171-K176 VanDerWaalsContact O-CE 3.25Å; A171-K176 WeakPolarHBondContact O-CE 3.38Å
172S85.9Confident84Confident56 Ų5673.5 Ų73.539%0.39240%0.4SS..  trans-61.1153.5167.1179.60000110.2V174 E175 K176S172-V174 PolarHBondContact O-N 3.42Å; S172-E175 PolarHBondContact N-OE2 3.3Å; S172-E175 WeakPolarHBondContact O-CB 3.22Å; S172-E175 PolarHBondContact O-N 3.48Å; S172-K176 WeakPolarHBondContact O-CG 3.38Å; S172-K176 PolarHBondContact O-N 3.35Å
173E84.7Confident84.1Confident161 Ų16176.6 Ų76.675%0.75242%0.42SS*.Hα-helixtrans-57.4-38.9180-64.9-174.1166.100111.9K176 V177E173-K176 WeakPolarHBondContact O-CB 3.2Å; E173-K176 PolarHBondContact O-N 2.87Å; E173-V177 WeakPolarHBondContact O-CG2 3.27Å; E173-V177 PolarHBondContact O-N 3.46Å; E173-V177 VanDerWaalsContact O-N 3.16Å
174V85.9Confident83.4Confident118 Ų11878.7 Ų78.772%0.71543%0.426SS*.Hα-helixtrans-66.8-41.5176.4-173.60000111.1S172 K176 V177 G178S172-V174 PolarHBondContact O-N 3.42Å; V174-K176 VanDerWaalsContact C-N 3.34Å; V174-K176 PolarHBondContact O-N 3.04Å; V174-V177 PolarHBondContact O-N 3.13Å; V174-G178 PolarHBondContact O-N 3.35Å
175E84.7Confident82.4Confident40 Ų4075.6 Ų75.619%0.18741%0.406CS..Hα-helixtrans-64.1-39.8175.5-68.5174.8158.200111.2H11 V13 A171 S172 V177 G178 L179H11-E175 IonicContact CE1-OE2 3.04Å; H11-E175 IonicContact CG-OE1 3.62Å; H11-E175 IonicContact CG-OE2 2.92Å; H11-E175 IonicContact ND1-OE1 3.26Å; H11-E175 PolarHBondContact ND1-OE1 3.23Å; H11-E175 IonicContact ND1-OE2 3.4Å; H11-E175 PolarHBondContact ND1-OE2 2.91Å; V13-E175 HydrophobicContact CG2-CG 4.07Å; V13-E175 WeakPolarHBondContact CG2-OE1 3.35Å; A171-E175 WeakPolarHBondContact CA-OE2 3.48Å; A171-E175 HydrophobicContact CB-CB 4.47Å; S172-E175 PolarHBondContact N-OE2 3.3Å; S172-E175 WeakPolarHBondContact O-CB 3.22Å; S172-E175 PolarHBondContact O-N 3.48Å; E175-V177 VanDerWaalsContact C-N 3.31Å; E175-V177 PolarHBondContact O-N 2.92Å; E175-G178 PolarHBondContact O-N 3.41Å; E175-L179 WeakPolarHBondContact O-CB 3.49Å; E175-L179 WeakPolarHBondContact O-CG 3.37Å; E175-L179 PolarHBondContact O-N 2.96Å
176K83.2Confident81.2Confident125 Ų12578.9 Ų78.954%0.54343%0.43SS..Hα-helixtrans-59.6-42.4176.5-72175.8-178.1168.20111.5A171 S172 E173 V174 A180A171-K176 HydrophobicContact CB-CD 4.41Å; A171-K176 HydrophobicContact CB-CG 3.58Å; A171-K176 VanDerWaalsContact O-CE 3.25Å; A171-K176 WeakPolarHBondContact O-CE 3.38Å; S172-K176 WeakPolarHBondContact O-CG 3.38Å; S172-K176 PolarHBondContact O-N 3.35Å; E173-K176 WeakPolarHBondContact O-CB 3.2Å; E173-K176 PolarHBondContact O-N 2.87Å; V174-K176 VanDerWaalsContact C-N 3.34Å; V174-K176 PolarHBondContact O-N 3.04Å; K176-A180 WeakPolarHBondContact O-CB 3.25Å; K176-A180 PolarHBondContact O-N 3.29Å
177V82.4Confident79.9Confident81 Ų8176 Ų7649%0.49143%0.429SS..Hα-helixtrans-65.8-45.6176.1177.50000110.5E173 V174 E175 A180 A181E173-V177 WeakPolarHBondContact O-CG2 3.27Å; E173-V177 PolarHBondContact O-N 3.46Å; E173-V177 VanDerWaalsContact O-N 3.16Å; V174-V177 PolarHBondContact O-N 3.13Å; E175-V177 VanDerWaalsContact C-N 3.31Å; E175-V177 PolarHBondContact O-N 2.92Å; V177-A180 PolarHBondContact O-N 3.04Å; V177-A181 PolarHBondContact O-N 3.37Å
178G82.7Confident78.6Confident35 Ų3582.9 Ų82.936%0.36146%0.457SS..Hα-helixtrans-59.5-47176.600000113V174 E175 A180 A181 L182V174-G178 PolarHBondContact O-N 3.35Å; E175-G178 PolarHBondContact O-N 3.41Å; G178-A180 PolarHBondContact O-N 3.21Å; G178-A181 WeakPolarHBondContact O-CB 3.31Å; G178-A181 PolarHBondContact O-N 3.02Å; G178-L182 WeakPolarHBondContact O-CG 3.4Å; G178-L182 PolarHBondContact O-N 2.91Å
179L83.6Confident77.3Confident49 Ų4988.3 Ų88.326%0.25748%0.479SS..Hα-helixtrans-63.9-40.2176.2-68.2166.8000111.7P12 L16 E175 A181 L182 T183P12-L179 HydrophobicContact CB-CD1 3.59Å; P12-L179 HydrophobicContact CB-CD2 4.26Å; P12-L179 HydrophobicContact CG-CD1 3.67Å; L16-L179 HydrophobicContact CD1-CD2 3.96Å; E175-L179 WeakPolarHBondContact O-CB 3.49Å; E175-L179 WeakPolarHBondContact O-CG 3.37Å; E175-L179 PolarHBondContact O-N 2.96Å; L179-A181 PolarHBondContact O-N 3.04Å; L179-L182 PolarHBondContact O-N 2.82Å; L179-T183 WeakPolarHBondContact O-CB 3.38Å; L179-T183 VanDerWaalsContact O-CG2 3.3Å; L179-T183 WeakPolarHBondContact O-CG2 3.25Å; L179-T183 PolarHBondContact O-N 3.19Å; L179-T183 PolarHBondContact O-OG1 2.95Å
180A80.2Confident76.1Confident35 Ų3587.5 Ų87.529%0.28948%0.484SS..Hα-helixtrans-65.7-28.5176.200000112.6K176 V177 G178 T183 K184K176-A180 WeakPolarHBondContact O-CB 3.25Å; K176-A180 PolarHBondContact O-N 3.29Å; V177-A180 PolarHBondContact O-N 3.04Å; G178-A180 PolarHBondContact O-N 3.21Å; A180-T183 WeakPolarHBondContact CA-OG1 3.48Å; A180-T183 PolarHBondContact O-OG1 3.37Å; A180-K184 WeakPolarHBondContact O-CG 3.4Å
181A79.4Confident74.9Confident26 Ų2697 Ų9722%0.21552%0.516CS..Hα-helixtrans-75.8-45.9172.800000111.3V177 G178 L179 T183 K184 S185V177-A181 PolarHBondContact O-N 3.37Å; G178-A181 WeakPolarHBondContact O-CB 3.31Å; G178-A181 PolarHBondContact O-N 3.02Å; L179-A181 PolarHBondContact O-N 3.04Å; A181-T183 VanDerWaalsContact C-N 3.34Å; A181-T183 PolarHBondContact O-N 3.04Å; A181-K184 PolarHBondContact O-N 3.4Å; A181-K184 VanDerWaalsContact O-N 3.17Å; A181-S185 PolarHBondContact O-N 2.92Å
182L80.1Confident74Confident116 Ų116104.1 Ų104.161%0.60755%0.546SS*.Hα-helixtrans-61.5-39.8178.9-69.7172.6000112.6G178 L179 K184 S185G178-L182 WeakPolarHBondContact O-CG 3.4Å; G178-L182 PolarHBondContact O-N 2.91Å; L179-L182 PolarHBondContact O-N 2.82Å; L182-K184 VanDerWaalsContact C-N 3.25Å; L182-K184 PolarHBondContact O-N 3.39Å; L182-S185 PolarHBondContact O-N 3.34Å; L182-S185 VanDerWaalsContact O-N 3.16Å
183T79Confident72.8Confident105 Ų105104.8 Ų104.864%0.64455%0.547SS*.THydrogen-bonded Turntrans-66.7-23.4178.248.30000113.7L179 A180 A181L179-T183 WeakPolarHBondContact O-CB 3.38Å; L179-T183 VanDerWaalsContact O-CG2 3.3Å; L179-T183 WeakPolarHBondContact O-CG2 3.25Å; L179-T183 PolarHBondContact O-N 3.19Å; L179-T183 PolarHBondContact O-OG1 2.95Å; A180-T183 WeakPolarHBondContact CA-OG1 3.48Å; A180-T183 PolarHBondContact O-OG1 3.37Å; A181-T183 VanDerWaalsContact C-N 3.34Å; A181-T183 PolarHBondContact O-N 3.04Å
184K71.4Confident72Confident92 Ų92105.2 Ų105.240%0.455%0.549SS..THydrogen-bonded Turntrans-83.4-19.4175.1-70.2178.4-178.6-172.10113A180 A181 L182 S186 V196A180-K184 WeakPolarHBondContact O-CG 3.4Å; A181-K184 PolarHBondContact O-N 3.4Å; A181-K184 VanDerWaalsContact O-N 3.17Å; L182-K184 VanDerWaalsContact C-N 3.25Å; L182-K184 PolarHBondContact O-N 3.39Å; K184-S186 PolarHBondContact O-N 3.13Å; K184-V196 HydrophobicContact CD-CG2 3.79Å
185S63.4Low70.9Confident34 Ų34106.1 Ų106.124%0.23855%0.55CS..  trans-80.627.4-175-170.10000113.7A181 L182 D187A181-S185 PolarHBondContact O-N 2.92Å; L182-S185 PolarHBondContact O-N 3.34Å; L182-S185 VanDerWaalsContact O-N 3.16Å; S185-D187 CarbonylContact O-C 3.58Å; S185-D187 PolarHBondContact O-N 3.37Å
186S61Low70Confident92 Ų92106 Ų10664%0.64355%0.552SS**  trans-56.4-20.6178.753.50000113.1K184 F188K184-S186 PolarHBondContact O-N 3.13Å; S186-F188 WeakPolarHBondContact O-CD2 3.47Å; S186-F188 PolarHBondContact O-N 3.12Å
187D57.6Low69.4Low129 Ų129109.2 Ų109.269%0.6956%0.56SS**  trans-85.784.5169-72.9-25000111.6S185 K189 A190S185-D187 CarbonylContact O-C 3.58Å; S185-D187 PolarHBondContact O-N 3.37Å; D187-K189 PolarHBondContact O-N 3.27Å; D187-A190 PolarHBondContact O-N 2.97Å
188F59.3Low69Low196 Ų196111.7 Ų111.786%0.8657%0.571SS**THydrogen-bonded Turntrans-55.7-1.7175.6-74.8-86.7000116S186S186-F188 WeakPolarHBondContact O-CD2 3.47Å; S186-F188 PolarHBondContact O-N 3.12Å
189K61.8Low68.7Low210 Ų210116.6 Ų116.691%0.91359%0.588SS**THydrogen-bonded Turntrans-86.3-26-175.1-70.5-176.5179.8176.20113.8D187D187-K189 PolarHBondContact O-N 3.27Å
190A59.6Low68.4Low61 Ų61119.8 Ų119.850%0.50460%0.601SS.*  trans-94.8115.2173.100000108.4D187 E192D187-A190 PolarHBondContact O-N 2.97Å; A190-E192 PolarHBondContact O-N 3.32Å
191R61.9Low68.3Low254 Ų254122.7 Ų122.796%0.95861%0.609SS**SBendtrans-72.8-7.2-179.5-152.9174.4-172.1174.41.6112.9
192E66Low68.5Low171 Ų171125.2 Ų125.280%0.79962%0.622SS**SBendtrans-121.9125.8-180-65.3177.4-178.300108.2A190A190-E192 PolarHBondContact O-N 3.32Å
193V61.9Low68.8Low70 Ų70127.2 Ų127.242%0.42463%0.626SS.*  trans-96.5111.4172.4-179.70000106.4L195V193-L195 PolarHBondContact O-N 3.46Å
194E66.1Low69.1Low170 Ų170126.4 Ų126.479%0.79461%0.613SS**PPolyproline II helixtrans-61.9122.9168.8-70.4-170.6175.800108.4V196E194-V196 PolarHBondContact O-N 3.19Å
195L64.5Low69.8Low138 Ų138125.6 Ų125.672%0.72362%0.618SS**PPolyproline II helixtrans-59.7131171.5-69.3174.7000107.9V193 R197V193-L195 PolarHBondContact O-N 3.46Å; L195-R197 PolarHBondContact O-N 2.65Å
196V65.9Low71.1Confident38 Ų38128.6 Ų128.623%0.2363%0.631CS.*PPolyproline II helixtrans-56.3124.5-179.1172.40000108K184 E194 D198 E200 Q201K184-V196 HydrophobicContact CD-CG2 3.79Å; E194-V196 PolarHBondContact O-N 3.19Å; V196-D198 PolarHBondContact O-N 3.12Å; V196-E200 HydrophobicContact CG1-CB 3.33Å; V196-E200 HydrophobicContact CG1-CG 4.48Å; V196-Q201 HydrophobicContact CG1-CB 4.38Å
197R70.7Confident72.6Confident191 Ų191126.4 Ų126.472%0.72162%0.616SS**PPolyproline II helixtrans-52.4140.3177.4-65.8-178.9179.4-179.90.1109L195 L199 E200 Q201L195-R197 PolarHBondContact O-N 2.65Å; R197-L199 PolarHBondContact O-N 2.8Å; R197-E200 WeakPolarHBondContact O-CB 3.34Å; R197-E200 PolarHBondContact O-N 3.39Å; R197-Q201 PolarHBondContact O-N 2.88Å
198D73.6Confident74.2Confident133 Ų133122.5 Ų122.571%0.71160%0.595SS**Hα-helixtrans-46.6-37.9-175.2-60.3-20.7000112.9V196 E200 Q201 V202V196-D198 PolarHBondContact O-N 3.12Å; D198-E200 PolarHBondContact O-N 3.42Å; D198-Q201 PolarHBondContact O-N 2.77Å; D198-V202 VanDerWaalsContact O-CG2 3.3Å; D198-V202 WeakPolarHBondContact O-CG2 3.49Å; D198-V202 PolarHBondContact O-N 3.35Å
199L75.7Confident75.8Confident139 Ų139117 Ų11773%0.72857%0.574SS**Hα-helixtrans-63.2-39.7178.8-173.364.4000113.8R197 V202 K203R197-L199 PolarHBondContact O-N 2.8Å; L199-V202 PolarHBondContact O-N 2.94Å; L199-K203 WeakPolarHBondContact O-CB 3.33Å; L199-K203 PolarHBondContact O-N 3.28Å
200E78.1Confident77.3Confident115 Ų115112.6 Ų112.654%0.53756%0.559SS.*Hα-helixtrans-71.8-35.2177.7-75.8-179.7-17000111.4V196 R197 D198 K203 K204V196-E200 HydrophobicContact CG1-CB 3.33Å; V196-E200 HydrophobicContact CG1-CG 4.48Å; R197-E200 WeakPolarHBondContact O-CB 3.34Å; R197-E200 PolarHBondContact O-N 3.39Å; D198-E200 PolarHBondContact O-N 3.42Å; E200-K203 PolarHBondContact O-N 2.85Å; E200-K204 WeakPolarHBondContact O-CB 3.35Å; E200-K204 PolarHBondContact O-N 3.06Å
201Q77.4Confident79Confident96 Ų96115.6 Ų115.645%0.44956%0.561SS.*Hα-helixtrans-63.2-46172.1-176172.9-3.600110.5V196 R197 D198 K203 K204 C205V196-Q201 HydrophobicContact CG1-CB 4.38Å; R197-Q201 PolarHBondContact O-N 2.88Å; D198-Q201 PolarHBondContact O-N 2.77Å; Q201-K203 VanDerWaalsContact C-N 3.34Å; Q201-K203 PolarHBondContact O-N 3.42Å; Q201-K204 PolarHBondContact O-N 2.9Å; Q201-C205 WeakPolarHBondContact O-CB 3.26Å; Q201-C205 PolarHBondContact O-N 2.94Å; Q201-C205 PolarHBondContact O-SG 3.16Å
202V83.9Confident80.4Confident79 Ų79111.1 Ų111.148%0.47954%0.544SS..Hα-helixtrans-60.1-44.2174.9172.40000110.9D198 L199 K204 C205 L206D198-V202 VanDerWaalsContact O-CG2 3.3Å; D198-V202 WeakPolarHBondContact O-CG2 3.49Å; D198-V202 PolarHBondContact O-N 3.35Å; L199-V202 PolarHBondContact O-N 2.94Å; V202-K204 VanDerWaalsContact C-N 3.33Å; V202-K204 PolarHBondContact O-N 3.29Å; V202-C205 PolarHBondContact O-N 2.93Å; V202-L206 HydrophobicContact CG1-CD1 3.91Å; V202-L206 HydrophobicContact CG1-CG 4.35Å; V202-L206 WeakPolarHBondContact O-CB 3.37Å; V202-L206 VanDerWaalsContact O-CG 3.31Å; V202-L206 WeakPolarHBondContact O-CG 3.41Å; V202-L206 PolarHBondContact O-N 2.84Å
203K86.9Confident81.5Confident159 Ų159106.7 Ų106.769%0.69153%0.525SS*.Hα-helixtrans-59.6-43.2175.6-176.3-178.5176.5-176.60111.7L199 E200 Q201 L206 S207L199-K203 WeakPolarHBondContact O-CB 3.33Å; L199-K203 PolarHBondContact O-N 3.28Å; E200-K203 PolarHBondContact O-N 2.85Å; Q201-K203 VanDerWaalsContact C-N 3.34Å; Q201-K203 PolarHBondContact O-N 3.42Å; K203-L206 PolarHBondContact O-N 3.47Å; K203-S207 WeakPolarHBondContact O-CB 3.33Å; K203-S207 PolarHBondContact O-N 3.32Å
204K85.3Confident83.1Confident88 Ų88104.7 Ų104.738%0.38352%0.519SS..Hα-helixtrans-62.7-50.1176.2-174.6180175.6-176.20110.6E200 Q201 V202 L206 S207 D208E200-K204 WeakPolarHBondContact O-CB 3.35Å; E200-K204 PolarHBondContact O-N 3.06Å; Q201-K204 PolarHBondContact O-N 2.9Å; V202-K204 VanDerWaalsContact C-N 3.33Å; V202-K204 PolarHBondContact O-N 3.29Å; K204-L206 VanDerWaalsContact C-N 3.31Å; K204-L206 PolarHBondContact O-N 3.05Å; K204-S207 PolarHBondContact O-N 3.13Å; K204-S207 VanDerWaalsContact O-N 3.08Å; K204-S207 PolarHBondContact O-OG 3.32Å; K204-D208 PolarHBondContact O-N 3Å
205C85.1Confident84.3Confident74 Ų74101.2 Ų101.250%0.551%0.505SS..Hα-helixtrans-56.5-43.5176.5-69.70000112.2Q201 V202 D208 L209Q201-C205 WeakPolarHBondContact O-CB 3.26Å; Q201-C205 PolarHBondContact O-N 2.94Å; Q201-C205 PolarHBondContact O-SG 3.16Å; V202-C205 PolarHBondContact O-N 2.93Å; C205-D208 PolarHBondContact O-N 2.92Å; C205-L209 VanDerWaalsContact O-CB 3.3Å; C205-L209 WeakPolarHBondContact O-CB 3.4Å; C205-L209 PolarHBondContact O-N 2.85Å
206L91.1Very high85.4Confident97 Ų9798.7 Ų98.751%0.50849%0.49SS..Hα-helixtrans-62.9-44.4174.9-75.3168.7000111.7V202 K203 K204 D208 L209 I210V202-L206 HydrophobicContact CG1-CD1 3.91Å; V202-L206 HydrophobicContact CG1-CG 4.35Å; V202-L206 WeakPolarHBondContact O-CB 3.37Å; V202-L206 VanDerWaalsContact O-CG 3.31Å; V202-L206 WeakPolarHBondContact O-CG 3.41Å; V202-L206 PolarHBondContact O-N 2.84Å; K203-L206 PolarHBondContact O-N 3.47Å; K204-L206 VanDerWaalsContact C-N 3.31Å; K204-L206 PolarHBondContact O-N 3.05Å; L206-D208 VanDerWaalsContact C-N 3.3Å; L206-D208 PolarHBondContact O-N 3.13Å; L206-L209 PolarHBondContact O-N 2.99Å; L206-I210 VanDerWaalsContact O-CG1 3.27Å; L206-I210 WeakPolarHBondContact O-CG1 3.36Å; L206-I210 PolarHBondContact O-N 3.2Å
207S92.6Very high86.5Confident47 Ų47105.6 Ų105.633%0.32951%0.512SS..Hα-helixtrans-62.9-39177.8770000112.1K203 K204 I210 K211K203-S207 WeakPolarHBondContact O-CB 3.33Å; K203-S207 PolarHBondContact O-N 3.32Å; K204-S207 PolarHBondContact O-N 3.13Å; K204-S207 VanDerWaalsContact O-N 3.08Å; K204-S207 PolarHBondContact O-OG 3.32Å; S207-I210 PolarHBondContact O-N 2.76Å; S207-K211 WeakPolarHBondContact O-CG 3.49Å; S207-K211 PolarHBondContact O-N 2.83Å; S207-K211 VanDerWaalsContact O-N 3.13Å
208D91Very high87.5Confident46 Ų46102.8 Ų102.825%0.24651%0.507CS..Hα-helixtrans-70.7-43.1177.8-68.2-24.7000110.2K204 C205 L206 I210 K211 W212K204-D208 PolarHBondContact O-N 3Å; C205-D208 PolarHBondContact O-N 2.92Å; L206-D208 VanDerWaalsContact C-N 3.3Å; L206-D208 PolarHBondContact O-N 3.13Å; D208-I210 VanDerWaalsContact C-N 3.31Å; D208-I210 PolarHBondContact O-N 2.94Å; D208-K211 WeakPolarHBondContact O-CA 3.36Å; D208-K211 WeakPolarHBondContact O-CB 3.48Å; D208-K211 PolarHBondContact O-N 3.49Å; D208-K211 IonicContact OD1-NZ 2.91Å; D208-K211 PolarHBondContact OD1-NZ 3.19Å; D208-K211 VanDerWaalsContact OD1-NZ 3.16Å; D208-W212 VanDerWaalsContact C-CD1 3.42Å; D208-W212 PolarHBondContact O-N 3.03Å
209L92Very high88.2Confident80 Ų8099.3 Ų99.342%0.41949%0.485SS..Hα-helixtrans-55.9-44.8173.9-169.9162.5000111.5C205 L206 K211 W212 I213C205-L209 VanDerWaalsContact O-CB 3.3Å; C205-L209 WeakPolarHBondContact O-CB 3.4Å; C205-L209 PolarHBondContact O-N 2.85Å; L206-L209 PolarHBondContact O-N 2.99Å; L209-K211 VanDerWaalsContact C-N 3.32Å; L209-K211 PolarHBondContact O-N 3.18Å; L209-W212 PolarHBondContact O-N 3.04Å; L209-I213 HydrophobicContact CD2-CD1 3.34Å; L209-I213 HydrophobicContact CD2-CG1 3.96Å; L209-I213 WeakPolarHBondContact O-CG1 3.15Å; L209-I213 PolarHBondContact O-N 3.36Å
210I93.9Very high88.7Confident119 Ų11995.7 Ų95.761%0.6147%0.468SS*.Hα-helixtrans-60.1-42.5175.5-68.8164.2000111.1L206 S207 D208 I213 G214L206-I210 VanDerWaalsContact O-CG1 3.27Å; L206-I210 WeakPolarHBondContact O-CG1 3.36Å; L206-I210 PolarHBondContact O-N 3.2Å; S207-I210 PolarHBondContact O-N 2.76Å; D208-I210 VanDerWaalsContact C-N 3.31Å; D208-I210 PolarHBondContact O-N 2.94Å; I210-I213 PolarHBondContact O-N 3.06Å; I210-G214 PolarHBondContact O-N 2.86Å
211K94.9Very high89.2Confident124 Ų12493 Ų9354%0.53946%0.46SS..Hα-helixtrans-61.9-46.4175.1-67.8170-169.1162.50111.4S207 D208 L209 I213 G214 I215S207-K211 WeakPolarHBondContact O-CG 3.49Å; S207-K211 PolarHBondContact O-N 2.83Å; S207-K211 VanDerWaalsContact O-N 3.13Å; D208-K211 WeakPolarHBondContact O-CA 3.36Å; D208-K211 WeakPolarHBondContact O-CB 3.48Å; D208-K211 PolarHBondContact O-N 3.49Å; D208-K211 IonicContact OD1-NZ 2.91Å; D208-K211 PolarHBondContact OD1-NZ 3.19Å; D208-K211 VanDerWaalsContact OD1-NZ 3.16Å; L209-K211 VanDerWaalsContact C-N 3.32Å; L209-K211 PolarHBondContact O-N 3.18Å; K211-I213 PolarHBondContact O-N 3.41Å; K211-G214 WeakPolarHBondContact O-CA 3.47Å; K211-G214 PolarHBondContact O-N 3.02Å; K211-I215 WeakPolarHBondContact O-CG1 3.29Å; K211-I215 PolarHBondContact O-N 2.92Å
212W91.6Very high89.8Confident159 Ų15989.5 Ų89.560%0.60245%0.446SS*.Hα-helixtrans-59.9-44.3178.2-68.2114.8000111.9D208 L209 G214 I215 M216D208-W212 VanDerWaalsContact C-CD1 3.42Å; D208-W212 PolarHBondContact O-N 3.03Å; L209-W212 PolarHBondContact O-N 3.04Å; W212-G214 VanDerWaalsContact C-N 3.29Å; W212-G214 PolarHBondContact O-N 3.39Å; W212-I215 HydrophobicContact CE3-CD1 4.37Å; W212-I215 PolarHBondContact O-N 3.27Å; W212-M216 HydrophobicContact CB-CE 4.04Å; W212-M216 WeakPolarHBondContact O-CG 3.21Å; W212-M216 PolarHBondContact O-N 2.87Å
213I90.4Very high89.9Confident78 Ų7888 Ų8840%0.444%0.436SS..Hα-helixtrans-61.4-40.4173.3-69.6-179.5000110.8L209 I210 K211 I215 M216 R217 W245L209-I213 HydrophobicContact CD2-CD1 3.34Å; L209-I213 HydrophobicContact CD2-CG1 3.96Å; L209-I213 WeakPolarHBondContact O-CG1 3.15Å; L209-I213 PolarHBondContact O-N 3.36Å; I210-I213 PolarHBondContact O-N 3.06Å; K211-I213 PolarHBondContact O-N 3.41Å; I213-I215 PolarHBondContact O-N 2.97Å; I213-M216 PolarHBondContact O-N 3.44Å; I213-R217 WeakPolarHBondContact O-CB 3.46Å; I213-R217 PolarHBondContact O-N 3.46Å; I213-W245 HydrophobicContact CD1-CH2 4.5Å
214G94.1Very high89.9Confident29 Ų2987.3 Ų87.330%0.29944%0.439SS..Hα-helixtrans-57.9-46.517500000112.7I210 K211 W212 R217 Q218I210-G214 PolarHBondContact O-N 2.86Å; K211-G214 WeakPolarHBondContact O-CA 3.47Å; K211-G214 PolarHBondContact O-N 3.02Å; W212-G214 VanDerWaalsContact C-N 3.29Å; W212-G214 PolarHBondContact O-N 3.39Å; G214-R217 PolarHBondContact O-N 2.91Å; G214-Q218 WeakPolarHBondContact O-CB 3.39Å; G214-Q218 PolarHBondContact O-N 3.49Å
215I91.2Very high90Very high96 Ų9688.3 Ų88.349%0.49245%0.446SS..Hα-helixtrans-64.6-46.7177.1-64.8165.1000110.7K211 W212 I213 R217 Q218 Y219K211-I215 WeakPolarHBondContact O-CG1 3.29Å; K211-I215 PolarHBondContact O-N 2.92Å; W212-I215 HydrophobicContact CE3-CD1 4.37Å; W212-I215 PolarHBondContact O-N 3.27Å; I213-I215 PolarHBondContact O-N 2.97Å; I215-R217 VanDerWaalsContact C-N 3.32Å; I215-R217 PolarHBondContact O-N 3.41Å; I215-Q218 PolarHBondContact O-N 3.43Å; I215-Y219 PolarHBondContact O-N 3.43Å
216M88.3Confident89.9Confident85 Ų8587.8 Ų87.842%0.41945%0.453SS..Hα-helixtrans-59.4-44.1177-71-179.7-137.100111.4W212 I213 Q218 Y219 V220 L238W212-M216 HydrophobicContact CB-CE 4.04Å; W212-M216 WeakPolarHBondContact O-CG 3.21Å; W212-M216 PolarHBondContact O-N 2.87Å; I213-M216 PolarHBondContact O-N 3.44Å; M216-Q218 VanDerWaalsContact C-N 3.35Å; M216-Q218 PolarHBondContact O-N 3.03Å; M216-Y219 PolarHBondContact O-N 2.89Å; M216-V220 WeakPolarHBondContact O-CG2 3.12Å; M216-V220 PolarHBondContact O-N 3.3Å; M216-L238 HydrophobicContact CG-CD2 4.24Å; M216-L238 HydrophobicContact SD-CD2 3.7Å
217R89.9Confident89.5Confident183 Ų18390.5 Ų90.569%0.69146%0.46SS*.Hα-helixtrans-60.4-46175.9-173.4-176.569.2168.52111.1I213 G214 I215 Y219 V220 T221I213-R217 WeakPolarHBondContact O-CB 3.46Å; I213-R217 PolarHBondContact O-N 3.46Å; G214-R217 PolarHBondContact O-N 2.91Å; I215-R217 VanDerWaalsContact C-N 3.32Å; I215-R217 PolarHBondContact O-N 3.41Å; R217-Y219 VanDerWaalsContact C-N 3.31Å; R217-Y219 PolarHBondContact O-N 3.29Å; R217-V220 PolarHBondContact O-N 3.48Å; R217-T221 PolarHBondContact O-N 2.96Å; R217-T221 PolarHBondContact O-OG1 2.88Å
218Q91.2Very high88.8Confident132 Ų13291.9 Ų91.962%0.61746%0.463SS*.Hα-helixtrans-62.3-39.1178.5-171.81767.900112G214 I215 M216 S222G214-Q218 WeakPolarHBondContact O-CB 3.39Å; G214-Q218 PolarHBondContact O-N 3.49Å; I215-Q218 PolarHBondContact O-N 3.43Å; M216-Q218 VanDerWaalsContact C-N 3.35Å; M216-Q218 PolarHBondContact O-N 3.03Å; Q218-S222 WeakPolarHBondContact O-CB 3.34Å; Q218-S222 PolarHBondContact O-N 3.18Å; Q218-S222 PolarHBondContact O-OG 3.46Å
219Y86.9Confident88.2Confident61 Ų6196.5 Ų96.524%0.23949%0.493CS..Hα-helixtrans-61.8-50.8174.1179.7-101000111.2I215 M216 R217 T221 S222 V223 I228 D231 I234I215-Y219 PolarHBondContact O-N 3.43Å; M216-Y219 PolarHBondContact O-N 2.89Å; R217-Y219 VanDerWaalsContact C-N 3.31Å; R217-Y219 PolarHBondContact O-N 3.29Å; Y219-T221 PolarHBondContact O-N 2.96Å; Y219-S222 PolarHBondContact O-N 3.42Å; Y219-S222 VanDerWaalsContact O-N 3.11Å; Y219-V223 HydrophobicContact CD1-CG2 4.29Å; Y219-V223 HydrophobicContact CE1-CG2 3.91Å; Y219-V223 HydrophobicContact CE2-CG2 4.18Å; Y219-V223 WeakPolarHBondContact O-CG2 3.24Å; Y219-V223 PolarHBondContact O-N 2.96Å; Y219-I228 HydrophobicContact CE2-CG2 4.28Å; Y219-D231 PolarHBondContact OH-N 3.38Å; Y219-I234 HydrophobicContact CD1-CG2 4.46Å; Y219-I234 HydrophobicContact CE1-CG2 3.9Å
220V86.2Confident87.3Confident62 Ų6294.4 Ų94.438%0.37649%0.491SS..Hα-helixtrans-60.2-44178.7174.10000111.3M216 R217 S222 V223 L224 L238M216-V220 WeakPolarHBondContact O-CG2 3.12Å; M216-V220 PolarHBondContact O-N 3.3Å; R217-V220 PolarHBondContact O-N 3.48Å; V220-S222 VanDerWaalsContact C-N 3.34Å; V220-S222 PolarHBondContact O-N 2.97Å; V220-V223 PolarHBondContact O-N 2.95Å; V220-L224 HydrophobicContact CG1-CD1 4.01Å; V220-L224 HydrophobicContact CG1-CG 4.45Å; V220-L224 WeakPolarHBondContact O-CB 3.43Å; V220-L224 VanDerWaalsContact O-CG 3.3Å; V220-L224 WeakPolarHBondContact O-CG 3.44Å; V220-L224 PolarHBondContact O-N 3.1Å; V220-L238 HydrophobicContact CG2-CD1 4.02Å
221T89.7Confident86.8Confident60 Ų6092.3 Ų92.337%0.36848%0.481SS..Hα-helixtrans-61.3-42174.8-57.20000111.7R217 Y219 V223 L224 E225R217-T221 PolarHBondContact O-N 2.96Å; R217-T221 PolarHBondContact O-OG1 2.88Å; Y219-T221 PolarHBondContact O-N 2.96Å; T221-V223 VanDerWaalsContact C-N 3.33Å; T221-V223 PolarHBondContact O-N 3.44Å; T221-L224 PolarHBondContact O-N 3.48Å; T221-E225 HydrophobicContact CG2-CG 4.42Å; T221-E225 WeakPolarHBondContact CG2-OE1 3.33Å; T221-E225 WeakPolarHBondContact O-CB 3.49Å; T221-E225 WeakPolarHBondContact O-CG 3.33Å; T221-E225 PolarHBondContact O-N 3.3Å
222S88.9Confident86.1Confident22 Ų2291.9 Ų91.915%0.15449%0.488CS..Hα-helixtrans-67.2-33.3179.6-580000113Q218 Y219 V220 G226 K227Q218-S222 WeakPolarHBondContact O-CB 3.34Å; Q218-S222 PolarHBondContact O-N 3.18Å; Q218-S222 PolarHBondContact O-OG 3.46Å; Y219-S222 PolarHBondContact O-N 3.42Å; Y219-S222 VanDerWaalsContact O-N 3.11Å; V220-S222 VanDerWaalsContact C-N 3.34Å; V220-S222 PolarHBondContact O-N 2.97Å; S222-G226 PolarHBondContact O-N 3.24Å; S222-K227 PolarHBondContact O-N 3.08Å
223V87.5Confident85.8Confident47 Ų4788.2 Ų88.229%0.28548%0.481SS..Hα-helixtrans-71.4-41.9173.4174.30000110.7Y219 V220 T221 E225 G226 I228Y219-V223 HydrophobicContact CD1-CG2 4.29Å; Y219-V223 HydrophobicContact CE1-CG2 3.91Å; Y219-V223 HydrophobicContact CE2-CG2 4.18Å; Y219-V223 WeakPolarHBondContact O-CG2 3.24Å; Y219-V223 PolarHBondContact O-N 2.96Å; V220-V223 PolarHBondContact O-N 2.95Å; T221-V223 VanDerWaalsContact C-N 3.33Å; T221-V223 PolarHBondContact O-N 3.44Å; V223-E225 VanDerWaalsContact C-N 3.33Å; V223-E225 PolarHBondContact O-N 3.32Å; V223-G226 PolarHBondContact O-N 3.02Å; V223-I228 HydrophobicContact CG2-CB 4.32Å
224L85.6Confident85.5Confident144 Ų14487.6 Ų87.675%0.75448%0.477SS*.Hα-helixtrans-64.6-35.5175.8-72.3171.2000112.7V220 T221 G226V220-L224 HydrophobicContact CG1-CD1 4.01Å; V220-L224 HydrophobicContact CG1-CG 4.45Å; V220-L224 WeakPolarHBondContact O-CB 3.43Å; V220-L224 VanDerWaalsContact O-CG 3.3Å; V220-L224 WeakPolarHBondContact O-CG 3.44Å; V220-L224 PolarHBondContact O-N 3.1Å; T221-L224 PolarHBondContact O-N 3.48Å; L224-G226 PolarHBondContact O-N 2.94Å
225E88.9Confident85Confident110 Ų11088 Ų8851%0.51448%0.482SS..THydrogen-bonded Turntrans-73.3-6.5173.1-72.6177.1-172.800113.3T221 V223 K227T221-E225 HydrophobicContact CG2-CG 4.42Å; T221-E225 WeakPolarHBondContact CG2-OE1 3.33Å; T221-E225 WeakPolarHBondContact O-CB 3.49Å; T221-E225 WeakPolarHBondContact O-CG 3.33Å; T221-E225 PolarHBondContact O-N 3.3Å; V223-E225 VanDerWaalsContact C-N 3.33Å; V223-E225 PolarHBondContact O-N 3.32Å; E225-K227 VanDerWaalsContact C-N 3.31Å; E225-K227 HydrophobicContact CB-CG 4.43Å; E225-K227 PolarHBondContact O-N 3.21Å; E225-K227 VanDerWaalsContact OE2-CE 3.29Å; E225-K227 WeakPolarHBondContact OE2-CE 3.32Å; E225-K227 IonicContact OE2-NZ 3.96Å; E225-K227 PolarHBondContact OE2-NZ 3.39Å
226G82.6Confident84.7Confident63 Ų6390.3 Ų90.365%0.64949%0.485SS*.THydrogen-bonded Turntrans75.113.1178.700000115S222 V223 L224S222-G226 PolarHBondContact O-N 3.24Å; V223-G226 PolarHBondContact O-N 3.02Å; L224-G226 PolarHBondContact O-N 2.94Å
227K81.3Confident84.7Confident153 Ų15392 Ų9267%0.66549%0.491SS*.SBendtrans-74.9-28.4178.8-70.4174.2177.9158.30112.8S222 E225S222-K227 PolarHBondContact O-N 3.08Å; E225-K227 VanDerWaalsContact C-N 3.31Å; E225-K227 HydrophobicContact CB-CG 4.43Å; E225-K227 PolarHBondContact O-N 3.21Å; E225-K227 VanDerWaalsContact OE2-CE 3.29Å; E225-K227 WeakPolarHBondContact OE2-CE 3.32Å; E225-K227 IonicContact OE2-NZ 3.96Å; E225-K227 PolarHBondContact OE2-NZ 3.39Å
228I79.5Confident84.5Confident77 Ų7785 Ų8540%0.39547%0.467SS..SBendtrans-127.2134.6-175.8-56.2175.7000108.4Y219 V223 G230Y219-I228 HydrophobicContact CE2-CG2 4.28Å; V223-I228 HydrophobicContact CG2-CB 4.32Å; I228-G230 PolarHBondContact O-N 2.9Å; I228-G230 VanDerWaalsContact O-N 3.17Å
229V77.8Confident84.2Confident143 Ų14384.5 Ų84.587%0.86747%0.469SS*.  trans-67.2113.1171.1-176.40000107.6D231V229-D231 PolarHBondContact O-N 3.36Å
230G74Confident84.2Confident36 Ų3686 Ų8637%0.37148%0.478SS..  trans-63.4129.6-178.900000111.5I228I228-G230 PolarHBondContact O-N 2.9Å; I228-G230 VanDerWaalsContact O-N 3.17Å
231D82.3Confident84.2Confident75 Ų7586.3 Ų86.340%0.40148%0.48SS..  trans-79.9123168.3-169.8-18000109.4Y219 V229 D233 I234 G235Y219-D231 PolarHBondContact OH-N 3.38Å; V229-D231 PolarHBondContact O-N 3.36Å; D231-D233 VanDerWaalsContact C-N 3.27Å; D231-D233 PolarHBondContact O-N 2.88Å; D231-D233 PolarHBondContact OD1-N 3.01Å; D231-I234 HydrophobicContact CB-CB 4.25Å; D231-I234 HydrophobicContact CB-CD1 3.85Å; D231-I234 HydrophobicContact CB-CG1 3.92Å; D231-I234 PolarHBondContact O-N 2.87Å; D231-G235 PolarHBondContact O-N 3.17Å; D231-G235 VanDerWaalsContact O-N 3.1Å
232T81.1Confident83.9Confident114 Ų11488.7 Ų88.770%0.69949%0.489SS*.Hα-helixtrans-64.4-31.8179.247.90000112.5G235 R236T232-G235 PolarHBondContact O-N 3.49Å; T232-R236 PolarHBondContact O-N 3.17Å
233D85.4Confident83.7Confident83 Ų8390.6 Ų90.644%0.44450%0.502SS..Hα-helixtrans-70-42.4-179.8-77.9-38.1000111.3D231 R236 Q237D231-D233 VanDerWaalsContact C-N 3.27Å; D231-D233 PolarHBondContact O-N 2.88Å; D231-D233 PolarHBondContact OD1-N 3.01Å; D233-R236 PolarHBondContact O-N 3.29Å; D233-R236 IonicContact OD1-NH2 3.72Å; D233-Q237 WeakPolarHBondContact O-CG 3.44Å; D233-Q237 PolarHBondContact O-N 2.67Å
234I83.2Confident83.4Confident64 Ų6494.4 Ų94.433%0.32852%0.517SS..Hα-helixtrans-63.3-45.1174.9-59178.8000110.1Y219 D231 R236 Q237 L238Y219-I234 HydrophobicContact CD1-CG2 4.46Å; Y219-I234 HydrophobicContact CE1-CG2 3.9Å; D231-I234 HydrophobicContact CB-CB 4.25Å; D231-I234 HydrophobicContact CB-CD1 3.85Å; D231-I234 HydrophobicContact CB-CG1 3.92Å; D231-I234 PolarHBondContact O-N 2.87Å; I234-R236 VanDerWaalsContact C-N 3.31Å; I234-R236 PolarHBondContact O-N 3.16Å; I234-Q237 PolarHBondContact O-N 2.95Å; I234-L238 HydrophobicContact CG2-CD1 3.96Å; I234-L238 HydrophobicContact CG2-CG 4.33Å; I234-L238 WeakPolarHBondContact O-CB 3.36Å; I234-L238 WeakPolarHBondContact O-CG 3.3Å; I234-L238 PolarHBondContact O-N 3.01Å
235G83.5Confident82.8Confident39 Ų3995.4 Ų95.440%0.40251%0.511SS..Hα-helixtrans-58.1-42177.800000112.9D231 T232 L239D231-G235 PolarHBondContact O-N 3.17Å; D231-G235 VanDerWaalsContact O-N 3.1Å; T232-G235 PolarHBondContact O-N 3.49Å; G235-L239 WeakPolarHBondContact O-CB 3.33Å; G235-L239 PolarHBondContact O-N 2.92Å
236R85.9Confident81.7Confident143 Ų14397.3 Ų97.354%0.5452%0.52SS..Hα-helixtrans-66.6-45.8176.9-177.9172.158.5140.9-4.6112.2T232 D233 I234 L238 L239 E240T232-R236 PolarHBondContact O-N 3.17Å; D233-R236 PolarHBondContact O-N 3.29Å; D233-R236 IonicContact OD1-NH2 3.72Å; I234-R236 VanDerWaalsContact C-N 3.31Å; I234-R236 PolarHBondContact O-N 3.16Å; R236-L238 VanDerWaalsContact C-N 3.31Å; R236-L238 PolarHBondContact O-N 2.96Å; R236-L239 PolarHBondContact O-N 3.37Å; R236-E240 WeakPolarHBondContact O-CG 3.49Å; R236-E240 PolarHBondContact O-N 3Å
237Q87.2Confident80.9Confident120 Ų120100.3 Ų100.356%0.56152%0.521SS*.Hα-helixtrans-61.8-39.4178.2-72.2177.73.100112.2D233 I234 E240 T241D233-Q237 WeakPolarHBondContact O-CG 3.44Å; D233-Q237 PolarHBondContact O-N 2.67Å; I234-Q237 PolarHBondContact O-N 2.95Å; Q237-E240 PolarHBondContact O-N 3.37Å; Q237-T241 WeakPolarHBondContact O-CB 3.49Å; Q237-T241 PolarHBondContact O-N 3.3Å; Q237-T241 PolarHBondContact O-OG1 3.09Å
238L85Confident80.3Confident36 Ų3697.4 Ų97.419%0.18851%0.512CS..Hα-helixtrans-64.3-44174.8-72173.7000111.5M216 V220 I234 R236 T241 I242M216-L238 HydrophobicContact CG-CD2 4.24Å; M216-L238 HydrophobicContact SD-CD2 3.7Å; V220-L238 HydrophobicContact CG2-CD1 4.02Å; I234-L238 HydrophobicContact CG2-CD1 3.96Å; I234-L238 HydrophobicContact CG2-CG 4.33Å; I234-L238 WeakPolarHBondContact O-CB 3.36Å; I234-L238 WeakPolarHBondContact O-CG 3.3Å; I234-L238 PolarHBondContact O-N 3.01Å; R236-L238 VanDerWaalsContact C-N 3.31Å; R236-L238 PolarHBondContact O-N 2.96Å; L238-T241 PolarHBondContact O-N 2.84Å; L238-I242 WeakPolarHBondContact O-CB 3.5Å; L238-I242 VanDerWaalsContact O-CG1 3.25Å; L238-I242 WeakPolarHBondContact O-CG1 3.44Å; L238-I242 PolarHBondContact O-N 3.17Å
239L84.8Confident80.1Confident122 Ų12297.6 Ų97.664%0.63952%0.516SS*.Hα-helixtrans-61.9-45.2177.4-17373.9000111.6G235 R236 T241 I242 S243G235-L239 WeakPolarHBondContact O-CB 3.33Å; G235-L239 PolarHBondContact O-N 2.92Å; R236-L239 PolarHBondContact O-N 3.37Å; L239-T241 VanDerWaalsContact C-N 3.34Å; L239-T241 PolarHBondContact O-N 2.82Å; L239-I242 PolarHBondContact O-N 2.72Å; L239-S243 VanDerWaalsContact O-CB 3.31Å; L239-S243 WeakPolarHBondContact O-CB 3.35Å; L239-S243 PolarHBondContact O-N 2.91Å; L239-S243 PolarHBondContact O-OG 3.42Å
240E88.8Confident80.1Confident94 Ų9495.2 Ų95.244%0.43950%0.504SS..Hα-helixtrans-58.7-47175.9-74.5176-17000110.8R236 Q237 I242 S243 Q244R236-E240 WeakPolarHBondContact O-CG 3.49Å; R236-E240 PolarHBondContact O-N 3Å; Q237-E240 PolarHBondContact O-N 3.37Å; E240-I242 PolarHBondContact O-N 2.72Å; E240-S243 PolarHBondContact O-N 3.41Å; E240-S243 PolarHBondContact O-OG 3.17Å; E240-Q244 WeakPolarHBondContact O-CG 3.29Å; E240-Q244 PolarHBondContact O-N 2.92Å; E240-Q244 VanDerWaalsContact O-N 3.14Å
241T84.7Confident80.4Confident68 Ų6897.2 Ų97.242%0.41751%0.513SS..Hα-helixtrans-61.1-44.9178.9-53.50000111.9Q237 L238 L239 Q244Q237-T241 WeakPolarHBondContact O-CB 3.49Å; Q237-T241 PolarHBondContact O-N 3.3Å; Q237-T241 PolarHBondContact O-OG1 3.09Å; L238-T241 PolarHBondContact O-N 2.84Å; L239-T241 VanDerWaalsContact C-N 3.34Å; L239-T241 PolarHBondContact O-N 2.82Å; T241-Q244 PolarHBondContact O-N 3.18Å
242I83.9Confident80.3Confident109 Ų10998 Ų9856%0.55952%0.519SS*.Hα-helixtrans-67.4-38.5179.1-67.2165.4000110.8L238 L239 E240 Q244 W245 H246L238-I242 WeakPolarHBondContact O-CB 3.5Å; L238-I242 VanDerWaalsContact O-CG1 3.25Å; L238-I242 WeakPolarHBondContact O-CG1 3.44Å; L238-I242 PolarHBondContact O-N 3.17Å; L239-I242 PolarHBondContact O-N 2.72Å; E240-I242 PolarHBondContact O-N 2.72Å; I242-Q244 VanDerWaalsContact C-N 3.28Å; I242-Q244 PolarHBondContact O-N 3.44Å; I242-W245 PolarHBondContact O-N 3.34Å; I242-H246 PolarHBondContact O-N 3.41Å; I242-H246 VanDerWaalsContact O-N 3.12Å
243S84.1Confident80.2Confident62 Ų6297.3 Ų97.343%0.43451%0.507SS..Hα-helixtrans-63.5-34.2179.475.60000112.6L239 E240 W245L239-S243 VanDerWaalsContact O-CB 3.31Å; L239-S243 WeakPolarHBondContact O-CB 3.35Å; L239-S243 PolarHBondContact O-N 2.91Å; L239-S243 PolarHBondContact O-OG 3.42Å; E240-S243 PolarHBondContact O-N 3.41Å; E240-S243 PolarHBondContact O-OG 3.17Å; S243-W245 VanDerWaalsContact C-N 3.32Å; S243-W245 PolarHBondContact O-N 3.11Å
244Q82.7Confident80.1Confident128 Ų12898.2 Ų98.260%0.59851%0.512SS*.Hα-helixtrans-65.5-36.6176.1-69.81731200111.8E240 T241 I242E240-Q244 WeakPolarHBondContact O-CG 3.29Å; E240-Q244 PolarHBondContact O-N 2.92Å; E240-Q244 VanDerWaalsContact O-N 3.14Å; T241-Q244 PolarHBondContact O-N 3.18Å; I242-Q244 VanDerWaalsContact C-N 3.28Å; I242-Q244 PolarHBondContact O-N 3.44Å
245W71.6Confident80.3Confident164 Ų16498.1 Ų98.162%0.62152%0.521SS*.Hα-helixtrans-77.3-31.7-179.9-74.17.7000113.6I213 I242 S243 N247 I248I213-W245 HydrophobicContact CD1-CH2 4.5Å; I242-W245 PolarHBondContact O-N 3.34Å; S243-W245 VanDerWaalsContact C-N 3.32Å; S243-W245 PolarHBondContact O-N 3.11Å; W245-N247 PolarHBondContact O-N 3.46Å; W245-N247 VanDerWaalsContact O-N 3.14Å; W245-I248 PolarHBondContact O-N 2.89Å
246H66.1Low80.3Confident151 Ų151103.1 Ų103.170%0.69954%0.535SS*.Hα-helixtrans-58.2-27.4-179.9167.959.9000113.6I242 I248I242-H246 PolarHBondContact O-N 3.41Å; I242-H246 VanDerWaalsContact O-N 3.12Å; H246-I248 PolarHBondContact O-N 3.27Å
247N66.3Low80.2Confident125 Ų12599.8 Ų99.867%0.66853%0.528SS*.THydrogen-bonded Turntrans-73.8-5.4-175.2-66.3-23.2000114.4W245W245-N247 PolarHBondContact O-N 3.46Å; W245-N247 VanDerWaalsContact O-N 3.14Å
248I68.2Low80.2Confident92 Ų9296.5 Ų96.547%0.47252%0.518SS..  trans-97.8101.5-177.8-52.9177.6000110W245 H246 F253W245-I248 PolarHBondContact O-N 2.89Å; H246-I248 PolarHBondContact O-N 3.27Å; I248-F253 HydrophobicContact CG2-CB 3.73Å; I248-F253 HydrophobicContact CG2-CD2 4.08Å; I248-F253 HydrophobicContact CG2-CG 4.3Å
249T74.9Confident80.5Confident81 Ų8197.8 Ų97.850%0.49753%0.53SS..  trans-60.1132170.7-51.80000109.8S251 V252 F253T249-S251 WeakPolarHBondContact CG2-OG 3.09Å; T249-S251 PolarHBondContact O-N 2.94Å; T249-V252 PolarHBondContact O-N 3.04Å; T249-F253 PolarHBondContact O-N 3.47Å; T249-F253 VanDerWaalsContact O-N 3.16Å
250P77.9Confident80.7Confident94 Ų9494 Ų9461%0.6152%0.52SS*.Hα-helixtrans-58.5-27.9-175.321-33.7000113.7N254P250-N254 WeakPolarHBondContact O-CB 3.41Å; P250-N254 VanDerWaalsContact O-CG 3.26Å; P250-N254 PolarHBondContact O-N 2.79Å; P250-N254 PolarHBondContact O-ND2 3.39Å
251S80.3Confident80.8Confident78 Ų7894.7 Ų94.755%0.54553%0.526SS..Hα-helixtrans-67.7-41.8175.8570000112.9T249 A255T249-S251 WeakPolarHBondContact CG2-OG 3.09Å; T249-S251 PolarHBondContact O-N 2.94Å; S251-A255 WeakPolarHBondContact O-CB 3.37Å; S251-A255 PolarHBondContact O-N 3.5Å
252V80.8Confident81Confident90 Ų9097.9 Ų97.955%0.54553%0.534SS..Hα-helixtrans-68.9-41.3178.4-179.50000109.9T249 A255 M256T249-V252 PolarHBondContact O-N 3.04Å; V252-A255 PolarHBondContact O-N 3.12Å; V252-M256 VanDerWaalsContact O-CB 3.3Å; V252-M256 WeakPolarHBondContact O-CB 3.29Å; V252-M256 PolarHBondContact O-N 2.84Å
253F78.6Confident81.5Confident100 Ų10096.7 Ų96.744%0.43953%0.529SS..Hα-helixtrans-59.5-49.7175.8-173.3-110.7000112.4I248 T249 A255 M256 I257I248-F253 HydrophobicContact CG2-CB 3.73Å; I248-F253 HydrophobicContact CG2-CD2 4.08Å; I248-F253 HydrophobicContact CG2-CG 4.3Å; T249-F253 PolarHBondContact O-N 3.47Å; T249-F253 VanDerWaalsContact O-N 3.16Å; F253-A255 VanDerWaalsContact C-N 3.34Å; F253-A255 PolarHBondContact O-N 3.36Å; F253-M256 PolarHBondContact O-N 2.98Å; F253-I257 HydrophobicContact CD1-CD1 3.8Å; F253-I257 HydrophobicContact CD2-CD1 4.39Å; F253-I257 HydrophobicContact CE1-CD1 3.26Å; F253-I257 HydrophobicContact CE1-CG1 4.4Å; F253-I257 HydrophobicContact CE2-CD1 3.91Å; F253-I257 HydrophobicContact CE2-CG1 4.47Å; F253-I257 HydrophobicContact CG-CD1 4.36Å; F253-I257 HydrophobicContact CZ-CD1 3.34Å; F253-I257 HydrophobicContact CZ-CG1 4.34Å; F253-I257 WeakPolarHBondContact O-CG1 3.43Å; F253-I257 PolarHBondContact O-N 2.55Å
254N83.3Confident81.8Confident102 Ų102100.5 Ų100.555%0.54554%0.538SS..Hα-helixtrans-65-38.2179.2-73-25.9000112.1P250 S258P250-N254 WeakPolarHBondContact O-CB 3.41Å; P250-N254 VanDerWaalsContact O-CG 3.26Å; P250-N254 PolarHBondContact O-N 2.79Å; P250-N254 PolarHBondContact O-ND2 3.39Å; N254-S258 WeakPolarHBondContact O-CB 3.22Å; N254-S258 PolarHBondContact O-N 2.7Å
255A86.8Confident82.3Confident62 Ų62100.2 Ų100.251%0.51254%0.54SS..Hα-helixtrans-64.7-42.7174.800000111.7S251 V252 F253 S258 S259S251-A255 WeakPolarHBondContact O-CB 3.37Å; S251-A255 PolarHBondContact O-N 3.5Å; V252-A255 PolarHBondContact O-N 3.12Å; F253-A255 VanDerWaalsContact C-N 3.34Å; F253-A255 PolarHBondContact O-N 3.36Å; A255-S258 PolarHBondContact O-N 3.14Å; A255-S259 WeakPolarHBondContact O-CB 3.03Å; A255-S259 PolarHBondContact O-N 2.82Å
256M83.6Confident83.3Confident144 Ų14498.4 Ų98.471%0.70954%0.54SS*.Hα-helixtrans-64.4-47178.4-168.9179.3-149.800111.7V252 F253 S259 G260V252-M256 VanDerWaalsContact O-CB 3.3Å; V252-M256 WeakPolarHBondContact O-CB 3.29Å; V252-M256 PolarHBondContact O-N 2.84Å; F253-M256 PolarHBondContact O-N 2.98Å; M256-S259 PolarHBondContact O-N 3.47Å; M256-G260 PolarHBondContact O-N 3.03Å
257I84.6Confident84.6Confident74 Ų7496.3 Ų96.338%0.37953%0.533SS..Hα-helixtrans-62-44.7174.9-71-178.2000110.6F253 S259 G260 L261F253-I257 HydrophobicContact CD1-CD1 3.8Å; F253-I257 HydrophobicContact CD2-CD1 4.39Å; F253-I257 HydrophobicContact CE1-CD1 3.26Å; F253-I257 HydrophobicContact CE1-CG1 4.4Å; F253-I257 HydrophobicContact CE2-CD1 3.91Å; F253-I257 HydrophobicContact CE2-CG1 4.47Å; F253-I257 HydrophobicContact CG-CD1 4.36Å; F253-I257 HydrophobicContact CZ-CD1 3.34Å; F253-I257 HydrophobicContact CZ-CG1 4.34Å; F253-I257 WeakPolarHBondContact O-CG1 3.43Å; F253-I257 PolarHBondContact O-N 2.55Å; I257-S259 VanDerWaalsContact C-N 3.34Å; I257-S259 PolarHBondContact O-N 3.27Å; I257-G260 PolarHBondContact O-N 3.47Å; I257-L261 HydrophobicContact CG2-CD1 3.68Å; I257-L261 HydrophobicContact CG2-CG 4.1Å; I257-L261 WeakPolarHBondContact O-CB 3.39Å; I257-L261 VanDerWaalsContact O-CG 3.28Å; I257-L261 WeakPolarHBondContact O-CG 3.12Å; I257-L261 PolarHBondContact O-N 3.41Å
258S88.2Confident85.9Confident51 Ų5192.7 Ų92.736%0.35752%0.516SS..Hα-helixtrans-62.9-40.9179.9-174.50000112.1N254 A255 K262N254-S258 WeakPolarHBondContact O-CB 3.22Å; N254-S258 PolarHBondContact O-N 2.7Å; A255-S258 PolarHBondContact O-N 3.14Å; S258-K262 VanDerWaalsContact O-CG 3.25Å; S258-K262 WeakPolarHBondContact O-CG 2.95Å; S258-K262 PolarHBondContact O-N 3.25Å; S258-K262 VanDerWaalsContact O-N 3.09Å
259S90.2Very high87.1Confident63 Ų6395.7 Ų95.744%0.44152%0.522SS..Hα-helixtrans-63.6-49.9174.7-164.30000111.1A255 M256 I257 L261 K262 D263A255-S259 WeakPolarHBondContact O-CB 3.03Å; A255-S259 PolarHBondContact O-N 2.82Å; M256-S259 PolarHBondContact O-N 3.47Å; I257-S259 VanDerWaalsContact C-N 3.34Å; I257-S259 PolarHBondContact O-N 3.27Å; S259-L261 VanDerWaalsContact C-N 3.33Å; S259-L261 PolarHBondContact O-N 2.89Å; S259-K262 WeakPolarHBondContact O-CB 3.5Å; S259-K262 PolarHBondContact O-N 2.96Å; S259-K262 VanDerWaalsContact O-N 3.15Å; S259-D263 PolarHBondContact O-N 3.5Å
260G89.4Confident88.1Confident41 Ų4197.1 Ų97.142%0.42353%0.526SS..Hα-helixtrans-61.4-39.2179.700000113.1M256 I257 D263 F264M256-G260 PolarHBondContact O-N 3.03Å; I257-G260 PolarHBondContact O-N 3.47Å; G260-D263 PolarHBondContact O-N 3.05Å; G260-F264 WeakPolarHBondContact O-CB 3.34Å; G260-F264 PolarHBondContact O-N 2.89Å
261L90.2Very high88.9Confident110 Ų11096 Ų9658%0.57652%0.517SS*.Hα-helixtrans-65.9-38.7175.3-75.3175.4000112.4I257 S259 L265I257-L261 HydrophobicContact CG2-CD1 3.68Å; I257-L261 HydrophobicContact CG2-CG 4.1Å; I257-L261 WeakPolarHBondContact O-CB 3.39Å; I257-L261 VanDerWaalsContact O-CG 3.28Å; I257-L261 WeakPolarHBondContact O-CG 3.12Å; I257-L261 PolarHBondContact O-N 3.41Å; S259-L261 VanDerWaalsContact C-N 3.33Å; S259-L261 PolarHBondContact O-N 2.89Å; L261-L265 VanDerWaalsContact O-CB 3.28Å; L261-L265 WeakPolarHBondContact O-CB 3.45Å; L261-L265 PolarHBondContact O-N 3.36Å
262K90.1Very high89.6Confident135 Ų13597.5 Ų97.559%0.58752%0.516SS*.Hα-helixtrans-63.6-44.6176.3-74.8169.6-173.7175.60111.3S258 S259 L265 M266S258-K262 VanDerWaalsContact O-CG 3.25Å; S258-K262 WeakPolarHBondContact O-CG 2.95Å; S258-K262 PolarHBondContact O-N 3.25Å; S258-K262 VanDerWaalsContact O-N 3.09Å; S259-K262 WeakPolarHBondContact O-CB 3.5Å; S259-K262 PolarHBondContact O-N 2.96Å; S259-K262 VanDerWaalsContact O-N 3.15Å; K262-L265 PolarHBondContact O-N 2.93Å; K262-M266 WeakPolarHBondContact O-CB 3.1Å; K262-M266 PolarHBondContact O-N 2.67Å
263D93.5Very high90.3Very high84 Ų8497.6 Ų97.645%0.44951%0.513SS..Hα-helixtrans-65.5-43.4179.2-63.9-24.9000111.1S259 G260 L265 M266 L267S259-D263 PolarHBondContact O-N 3.5Å; G260-D263 PolarHBondContact O-N 3.05Å; D263-L265 PolarHBondContact O-N 2.85Å; D263-M266 PolarHBondContact O-N 3.41Å; D263-L267 WeakPolarHBondContact O-CG 3.05Å; D263-L267 PolarHBondContact O-N 2.8Å
264F91.4Very high91.1Very high141 Ų14195.6 Ų95.662%0.61851%0.512SS*.Hα-helixtrans-62.6-42.1175.8-173.8-94.3000112.3G260 M266 L267 T268G260-F264 WeakPolarHBondContact O-CB 3.34Å; G260-F264 PolarHBondContact O-N 2.89Å; F264-M266 VanDerWaalsContact C-N 3.35Å; F264-L267 PolarHBondContact O-N 2.81Å; F264-T268 WeakPolarHBondContact CE1-OG1 3.36Å; F264-T268 WeakPolarHBondContact O-CB 3.21Å; F264-T268 PolarHBondContact O-N 2.9Å; F264-T268 PolarHBondContact O-OG1 2.85Å
265L91.2Very high91.6Very high122 Ų12296.4 Ų96.464%0.63951%0.512SS*.Hα-helixtrans-65.1-40177.7-172.366.8000111.4L261 K262 D263 T268 Y269L261-L265 VanDerWaalsContact O-CB 3.28Å; L261-L265 WeakPolarHBondContact O-CB 3.45Å; L261-L265 PolarHBondContact O-N 3.36Å; K262-L265 PolarHBondContact O-N 2.93Å; D263-L265 PolarHBondContact O-N 2.85Å; L265-T268 PolarHBondContact O-N 3.07Å; L265-Y269 WeakPolarHBondContact O-CB 3.38Å; L265-Y269 PolarHBondContact O-N 2.82Å
266M93.5Very high92Very high126 Ų12697.1 Ų97.162%0.62151%0.51SS*.Hα-helixtrans-62-44174.9-169-166.6-49.100111.7K262 D263 F264 Y269 L270K262-M266 WeakPolarHBondContact O-CB 3.1Å; K262-M266 PolarHBondContact O-N 2.67Å; D263-M266 PolarHBondContact O-N 3.41Å; F264-M266 VanDerWaalsContact C-N 3.35Å; M266-Y269 PolarHBondContact O-N 2.88Å; M266-L270 WeakPolarHBondContact O-CB 3.29Å; M266-L270 PolarHBondContact O-N 2.87Å
267L93.6Very high92.5Very high108 Ų10894.8 Ų94.857%0.56550%0.498SS*.Hα-helixtrans-64.7-40.9176.1-73.7172.5000112.3D263 F264 Y269 L270 T271D263-L267 WeakPolarHBondContact O-CG 3.05Å; D263-L267 PolarHBondContact O-N 2.8Å; F264-L267 PolarHBondContact O-N 2.81Å; L267-Y269 VanDerWaalsContact C-N 3.35Å; L267-L270 PolarHBondContact O-N 2.85Å; L267-T271 WeakPolarHBondContact O-CB 3.38Å; L267-T271 PolarHBondContact O-N 3.04Å; L267-T271 PolarHBondContact O-OG1 2.69Å
268T93Very high92.9Very high49 Ų4995.7 Ų95.730%0.30150%0.503SS..Hα-helixtrans-62-46.3176.6-54.60000110.3F264 L265 L270 T271 E272F264-T268 WeakPolarHBondContact CE1-OG1 3.36Å; F264-T268 WeakPolarHBondContact O-CB 3.21Å; F264-T268 PolarHBondContact O-N 2.9Å; F264-T268 PolarHBondContact O-OG1 2.85Å; L265-T268 PolarHBondContact O-N 3.07Å; T268-L270 PolarHBondContact O-N 2.83Å; T268-T271 WeakPolarHBondContact O-CB 3.47Å; T268-T271 PolarHBondContact O-N 3.43Å; T268-T271 VanDerWaalsContact O-N 3.14Å; T268-E272 PolarHBondContact O-N 3.21Å
269Y94.7Very high93.3Very high154 Ų15496.8 Ų96.860%0.60451%0.507SS*.Hα-helixtrans-61.2-42.3176.6-177.9-105.2000112.7L265 M266 L267 T271 E272 L273L265-Y269 WeakPolarHBondContact O-CB 3.38Å; L265-Y269 PolarHBondContact O-N 2.82Å; M266-Y269 PolarHBondContact O-N 2.88Å; L267-Y269 VanDerWaalsContact C-N 3.35Å; Y269-T271 VanDerWaalsContact C-N 3.29Å; Y269-T271 PolarHBondContact O-N 3.37Å; Y269-E272 PolarHBondContact O-N 2.75Å; Y269-L273 HydrophobicContact CE1-CD1 4.26Å; Y269-L273 WeakPolarHBondContact O-CB 3.49Å; Y269-L273 PolarHBondContact O-N 2.98Å
270L95.1Very high93.4Very high111 Ų11197.6 Ų97.658%0.58151%0.506SS*.Hα-helixtrans-63.5-37175.5-174.1146.7000111.9M266 L267 T268 L273 S274M266-L270 WeakPolarHBondContact O-CB 3.29Å; M266-L270 PolarHBondContact O-N 2.87Å; L267-L270 PolarHBondContact O-N 2.85Å; T268-L270 PolarHBondContact O-N 2.83Å; L270-L273 PolarHBondContact O-N 2.82Å; L270-S274 WeakPolarHBondContact O-CB 3.18Å; L270-S274 PolarHBondContact O-N 3.26Å
271T94.7Very high93.5Very high70 Ų70100.2 Ų100.243%0.42951%0.508SS..Hα-helixtrans-66.7-44.5176.7-53.50000111.1L267 T268 Y269 L273 S274 Q275L267-T271 WeakPolarHBondContact O-CB 3.38Å; L267-T271 PolarHBondContact O-N 3.04Å; L267-T271 PolarHBondContact O-OG1 2.69Å; T268-T271 WeakPolarHBondContact O-CB 3.47Å; T268-T271 PolarHBondContact O-N 3.43Å; T268-T271 VanDerWaalsContact O-N 3.14Å; Y269-T271 VanDerWaalsContact C-N 3.29Å; Y269-T271 PolarHBondContact O-N 3.37Å; T271-L273 VanDerWaalsContact C-N 3.34Å; T271-L273 PolarHBondContact O-N 3.01Å; T271-S274 PolarHBondContact O-N 3.29Å; T271-Q275 WeakPolarHBondContact O-CG 3.45Å; T271-Q275 PolarHBondContact O-N 2.73Å
272E94.9Very high93.6Very high111 Ų11199.6 Ų99.652%0.51951%0.505SS..Hα-helixtrans-62.4-40174.1-71.5-179.417400111.8T268 Y269 Q275 T276T268-E272 PolarHBondContact O-N 3.21Å; Y269-E272 PolarHBondContact O-N 2.75Å; E272-Q275 PolarHBondContact O-N 3.19Å; E272-T276 WeakPolarHBondContact O-CG2 3.01Å; E272-T276 PolarHBondContact O-N 3.06Å; E272-T276 PolarHBondContact O-OG1 3.08Å; E272-T276 VanDerWaalsContact O-OG1 3.11Å
273L95.8Very high93.7Very high91 Ų9199.9 Ų99.948%0.47651%0.506SS..Hα-helixtrans-63.8-42.1175.2-163.4155.4000111.3Y269 L270 T271 T276 Q277Y269-L273 HydrophobicContact CE1-CD1 4.26Å; Y269-L273 WeakPolarHBondContact O-CB 3.49Å; Y269-L273 PolarHBondContact O-N 2.98Å; L270-L273 PolarHBondContact O-N 2.82Å; T271-L273 VanDerWaalsContact C-N 3.34Å; T271-L273 PolarHBondContact O-N 3.01Å; L273-T276 WeakPolarHBondContact CA-OG1 3.33Å; L273-T276 PolarHBondContact O-N 3.21Å; L273-T276 PolarHBondContact O-OG1 3.28Å; L273-Q277 WeakPolarHBondContact O-CB 3.47Å; L273-Q277 PolarHBondContact O-N 3.29Å
274S95.1Very high93.5Very high59 Ų59103.1 Ų103.141%0.41352%0.517SS..Hα-helixtrans-63.4-43.4174.9-171.90000112L270 T271 Q277 L278L270-S274 WeakPolarHBondContact O-CB 3.18Å; L270-S274 PolarHBondContact O-N 3.26Å; T271-S274 PolarHBondContact O-N 3.29Å; S274-Q277 PolarHBondContact O-N 2.91Å; S274-L278 WeakPolarHBondContact O-CG 3.29Å; S274-L278 PolarHBondContact O-N 2.94Å
275Q94.7Very high93.3Very high118 Ų118103 Ų10355%0.55152%0.522SS*.Hα-helixtrans-63.1-42.7175.4-73.4-179.96.800112.3T271 E272 Q277 L278 T279T271-Q275 WeakPolarHBondContact O-CG 3.45Å; T271-Q275 PolarHBondContact O-N 2.73Å; E272-Q275 PolarHBondContact O-N 3.19Å; Q275-Q277 VanDerWaalsContact C-N 3.32Å; Q275-Q277 PolarHBondContact O-N 3.43Å; Q275-L278 PolarHBondContact O-N 3.37Å; Q275-T279 WeakPolarHBondContact O-CG2 3.35Å; Q275-T279 PolarHBondContact O-N 3.17Å; Q275-T279 PolarHBondContact O-OG1 3.41Å; Q275-T279 VanDerWaalsContact O-OG1 3.1Å
276T94.6Very high92.7Very high78 Ų78103.9 Ų103.948%0.47953%0.527SS..Hα-helixtrans-65.4-37.2175.854.20000111.6E272 L273 T279 L280E272-T276 WeakPolarHBondContact O-CG2 3.01Å; E272-T276 PolarHBondContact O-N 3.06Å; E272-T276 PolarHBondContact O-OG1 3.08Å; E272-T276 VanDerWaalsContact O-OG1 3.11Å; L273-T276 WeakPolarHBondContact CA-OG1 3.33Å; L273-T276 PolarHBondContact O-N 3.21Å; L273-T276 PolarHBondContact O-OG1 3.28Å; T276-T279 WeakPolarHBondContact CA-OG1 3.22Å; T276-T279 PolarHBondContact O-N 3.4Å; T276-T279 PolarHBondContact O-OG1 2.87Å; T276-L280 WeakPolarHBondContact O-CB 3.14Å; T276-L280 VanDerWaalsContact O-CG 3.3Å; T276-L280 WeakPolarHBondContact O-CG 3.17Å; T276-L280 PolarHBondContact O-N 3.06Å
277Q94Very high91.5Very high95 Ų95107.3 Ų107.344%0.44455%0.547SS..Hα-helixtrans-65.5-43.5174.5-175.564.19.800112.3L273 S274 Q275 L280 Q281L273-Q277 WeakPolarHBondContact O-CB 3.47Å; L273-Q277 PolarHBondContact O-N 3.29Å; S274-Q277 PolarHBondContact O-N 2.91Å; Q275-Q277 VanDerWaalsContact C-N 3.32Å; Q275-Q277 PolarHBondContact O-N 3.43Å; Q277-L280 PolarHBondContact O-N 3.26Å; Q277-Q281 WeakPolarHBondContact O-CG 3.29Å; Q277-Q281 PolarHBondContact O-N 3.29Å
278L94.1Very high91.4Very high92 Ų92107.3 Ų107.348%0.48255%0.546SS..Hα-helixtrans-61.4-47.3175.5-73.2170.4000111.3S274 Q275 L280 Q281 D282S274-L278 WeakPolarHBondContact O-CG 3.29Å; S274-L278 PolarHBondContact O-N 2.94Å; Q275-L278 PolarHBondContact O-N 3.37Å; L278-L280 VanDerWaalsContact C-N 3.3Å; L278-L280 PolarHBondContact O-N 3.49Å; L278-Q281 PolarHBondContact O-N 3.02Å; L278-Q281 VanDerWaalsContact O-N 3.17Å; L278-D282 PolarHBondContact O-N 2.79Å
279T94.9Very high91.3Very high75 Ų75110.4 Ų110.446%0.4656%0.559SS.*Hα-helixtrans-65.2-31.5177.756.30000113.1Q275 T276 K283Q275-T279 WeakPolarHBondContact O-CG2 3.35Å; Q275-T279 PolarHBondContact O-N 3.17Å; Q275-T279 PolarHBondContact O-OG1 3.41Å; Q275-T279 VanDerWaalsContact O-OG1 3.1Å; T276-T279 WeakPolarHBondContact CA-OG1 3.22Å; T276-T279 PolarHBondContact O-N 3.4Å; T276-T279 PolarHBondContact O-OG1 2.87Å; T279-K283 WeakPolarHBondContact O-CG 3Å; T279-K283 PolarHBondContact O-N 3.08Å; T279-K283 VanDerWaalsContact O-N 3.16Å
280L92.6Very high91.1Very high80 Ų80107.9 Ų107.942%0.41956%0.556SS.*Hα-helixtrans-68.4-43.8171.6-77.5174.2000111.6T276 Q277 L278 D282 K283 F284T276-L280 WeakPolarHBondContact O-CB 3.14Å; T276-L280 VanDerWaalsContact O-CG 3.3Å; T276-L280 WeakPolarHBondContact O-CG 3.17Å; T276-L280 PolarHBondContact O-N 3.06Å; Q277-L280 PolarHBondContact O-N 3.26Å; L278-L280 VanDerWaalsContact C-N 3.3Å; L278-L280 PolarHBondContact O-N 3.49Å; L280-D282 PolarHBondContact O-N 2.67Å; L280-K283 PolarHBondContact O-N 3.08Å; L280-F284 WeakPolarHBondContact O-CD2 3.28Å; L280-F284 PolarHBondContact O-N 3Å
281Q92.3Very high90.8Very high96 Ų96107.8 Ų107.845%0.44956%0.555SS.*Hα-helixtrans-60.5-44176.3-75.4-179.5-28.200111.8Q277 L278 K283 F284 L285Q277-Q281 WeakPolarHBondContact O-CG 3.29Å; Q277-Q281 PolarHBondContact O-N 3.29Å; L278-Q281 PolarHBondContact O-N 3.02Å; L278-Q281 VanDerWaalsContact O-N 3.17Å; Q281-K283 VanDerWaalsContact C-N 3.29Å; Q281-K283 PolarHBondContact O-N 3.12Å; Q281-F284 PolarHBondContact O-N 2.78Å; Q281-L285 PolarHBondContact O-N 2.99Å
282D92.2Very high90.6Very high97 Ų97110.1 Ų110.152%0.51956%0.563SS.*Hα-helixtrans-60.6-38174.8-74.5-21.6000111.9L278 L280 L285 N286L278-D282 PolarHBondContact O-N 2.79Å; L280-D282 PolarHBondContact O-N 2.67Å; D282-L285 PolarHBondContact O-N 3.18Å; D282-N286 WeakPolarHBondContact O-CB 3.26Å; D282-N286 VanDerWaalsContact O-CG 3.29Å; D282-N286 PolarHBondContact O-N 3.47Å; D282-N286 VanDerWaalsContact O-N 3.17Å; D282-N286 PolarHBondContact O-ND2 2.79Å
283K92.2Very high90.3Very high141 Ų141110.1 Ų110.161%0.61357%0.566SS**Hα-helixtrans-68-37.5175.6-76.3178-177.8-179.20112.9T279 L280 Q281 N286T279-K283 WeakPolarHBondContact O-CG 3Å; T279-K283 PolarHBondContact O-N 3.08Å; T279-K283 VanDerWaalsContact O-N 3.16Å; L280-K283 PolarHBondContact O-N 3.08Å; Q281-K283 VanDerWaalsContact C-N 3.29Å; Q281-K283 PolarHBondContact O-N 3.12Å; K283-N286 PolarHBondContact O-N 3.26Å
284F88.3Confident89.9Confident152 Ų152111.4 Ų111.467%0.66757%0.572SS**Hα-helixtrans-70.6-33.1176.2-80.8-67.4000112.9L280 Q281 N286L280-F284 WeakPolarHBondContact O-CD2 3.28Å; L280-F284 PolarHBondContact O-N 3Å; Q281-F284 PolarHBondContact O-N 2.78Å; F284-N286 VanDerWaalsContact C-N 3.33Å
285L87.2Confident89.5Confident138 Ų138115.5 Ų115.572%0.72358%0.584SS**Hα-helixtrans-72.1-25.9175.1-93.9146.1000113.4Q281 D282 L287Q281-L285 PolarHBondContact O-N 2.99Å; D282-L285 PolarHBondContact O-N 3.18Å; L285-L287 VanDerWaalsContact C-N 3.35Å
286N79.3Confident89.1Confident141 Ų141115.3 Ų115.375%0.75459%0.587SS**THydrogen-bonded Turntrans-89.54.4178.6-72.1-44.8000113.9D282 K283 F284D282-N286 WeakPolarHBondContact O-CB 3.26Å; D282-N286 VanDerWaalsContact O-CG 3.29Å; D282-N286 PolarHBondContact O-N 3.47Å; D282-N286 VanDerWaalsContact O-N 3.17Å; D282-N286 PolarHBondContact O-ND2 2.79Å; K283-N286 PolarHBondContact O-N 3.26Å; F284-N286 VanDerWaalsContact C-N 3.33Å
287L67.6Low88.6Confident198 Ų198118.6 Ų118.6100%1.03760%0.597SS**  trans-1020172-80.7162.5000110.3L285L285-L287 VanDerWaalsContact C-N 3.35Å

Retrieved 287 of 287 residues in 124.7 ms (Link to these results)

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