A0A077Z492_TRITR Loading...

GDP-mannose 4,6-dehydratase

AlphaFold DB , UniProt , Accession A0A077Z492, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 373 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M30.8Very low56Low237 Ų237100.8 Ų100.8100%1.16755%0.548SS*.  097.40-68.9-177.8-17500105.6N3M1-N3 PolarHBondContact O-N 3.03Å
2E29.9Very low59.5Low195 Ų19592.5 Ų92.591%0.91150%0.503SS*.  trans-60.2122.7171-76.3173.9154.500107.2G4E2-G4 PolarHBondContact O-N 2.74Å
3N31.5Very low62.5Low163 Ų16385.4 Ų85.487%0.87246%0.464SS*.  trans-53.7112.4179.7-89-26000108.8M1 G5M1-N3 PolarHBondContact O-N 3.03Å; N3-G5 PolarHBondContact O-N 3.26Å
4G28.2Very low65Low84 Ų8479.4 Ų79.487%0.86643%0.432SS*.  trans-68.351.9170.500000112E2 S6E2-G4 PolarHBondContact O-N 2.74Å; G4-S6 PolarHBondContact O-N 3.26Å
5G36.8Very low67.2Low46 Ų4675.5 Ų75.547%0.47442%0.418SS..  trans-67.1120.617500000109.1N3 Y7N3-G5 PolarHBondContact O-N 3.26Å; G5-Y7 PolarHBondContact O-N 2.7Å
6S46.2Very low69.1Low71 Ų7170.8 Ų70.850%0.49739%0.392SS..  trans-42113.4161.9165.90000109.4G4 R8 L46G4-S6 PolarHBondContact O-N 3.26Å; S6-R8 PolarHBondContact O-N 2.81Å; S6-L46 WeakPolarHBondContact OG-CD2 3.35Å
7Y60.4Low70.7Confident167 Ų16767.9 Ų67.966%0.65538%0.377SS*.  trans-71.959.8179.1-93.8-96.3000110.7G5 A48 E49G5-Y7 PolarHBondContact O-N 2.7Å; Y7-A48 WeakPolarHBondContact O-CA 3.26Å; Y7-A48 WeakPolarHBondContact O-CB 3.33Å; Y7-E49 PolarHBondContact O-N 2.96Å
8R75.8Confident72.2Confident80 Ų8065.6 Ų65.630%0.30237%0.372SS..  trans-90.6116.9174-175167.2-172.4-111.9-4.5108.4S6 V10 E49 V102 R103 C105S6-R8 PolarHBondContact O-N 2.81Å; R8-V10 HydrophobicContact CG-CG2 3.8Å; R8-E49 CarbonylContact C-O 3.58Å; R8-E49 WeakPolarHBondContact CA-O 3.07Å; R8-E49 HydrophobicContact CG-CB 4.21Å; R8-E49 IonicContact CZ-OE2 3.98Å; R8-E49 IonicContact NE-OE2 3.48Å; R8-E49 PolarHBondContact NE-OE2 2.83Å; R8-E49 IonicContact NH2-OE2 3.37Å; R8-V102 PolarHBondContact NH2-O 2.71Å; R8-R103 PolarHBondContact NH1-O 2.71Å; R8-C105 PolarHBondContact O-SG 3.38Å
9K85.5Confident73.6Confident66 Ų6662.8 Ų62.829%0.28736%0.355SS..EExtended strand (participates in β ladder)trans-122.392.5170.1-62.2-156.6-176.4-167.70109.3Y33 E49 F50 K51K9-Y33 HydrophobicContact CB-CD1 4.14Å; K9-Y33 HydrophobicContact CB-CE1 3.66Å; K9-Y33 HydrophobicContact CB-CE2 4.17Å; K9-Y33 HydrophobicContact CD-CE2 3.8Å; K9-Y33 VanDerWaalsContact O-CD1 3.31Å; K9-Y33 WeakPolarHBondContact O-CD1 3.47Å; K9-E49 CarbonylContact C-O 3.54Å; K9-E49 PolarHBondContact N-O 3.43Å; K9-F50 HydrophobicContact CB-CD1 3.65Å; K9-F50 HydrophobicContact CB-CE1 3.75Å; K9-F50 HydrophobicContact CD-CD1 4.45Å; K9-F50 HydrophobicContact CD-CE1 3.85Å; K9-F50 HydrophobicContact CG-CD1 4.14Å; K9-F50 HydrophobicContact CG-CE1 3.68Å; K9-F50 WeakPolarHBondContact O-CA 3.3Å; K9-K51 PolarHBondContact O-N 2.72Å; K9-K51 VanDerWaalsContact O-N 3.17Å
10V93.5Very high74.8Confident0 Ų061.2 Ų61.20%035%0.345CS..EExtended strand (participates in β ladder)trans-110117.8177178.70000108.5R8 E49 K51 V102 C105 E106R8-V10 HydrophobicContact CG-CG2 3.8Å; V10-E49 HydrophobicContact CG2-CG 4.16Å; V10-K51 WeakPolarHBondContact CA-O 3.39Å; V10-K51 HydrophobicContact CG2-CB 4.5Å; V10-V102 HydrophobicContact CG1-CG1 3.74Å; V10-C105 PolarHBondContact O-N 2.95Å; V10-E106 PolarHBondContact O-N 2.82Å
11A97.1Very high75.9Confident0 Ų058.3 Ų58.30%033%0.329CS..EExtended strand (participates in β ladder)trans-99.7140.2176.100000110.7L28 Y33 K51 H53 E106 Y108A11-L28 HydrophobicContact CB-CD1 3.73Å; A11-Y33 HydrophobicContact CB-CD1 4.14Å; A11-Y33 HydrophobicContact CB-CE1 3.89Å; A11-K51 PolarHBondContact N-O 2.88Å; A11-H53 PolarHBondContact O-N 2.86Å; A11-E106 CarbonylContact C-O 3.38Å; A11-E106 VanDerWaalsContact CA-O 3.29Å; A11-E106 WeakPolarHBondContact CA-O 3.49Å; A11-Y108 HydrophobicContact CB-CD2 4.41Å; A11-Y108 HydrophobicContact CB-CE2 4.1Å
12L98Very high79.2Confident1 Ų147 Ų471%0.00527%0.274CS..EExtended strand (participates in β ladder)trans-113.8118.2166.6177.867.6000109.2H53 V55 L98 I99 P104 E106 I107 Y108L12-H53 CarbonylContact C-O 3.54Å; L12-H53 WeakPolarHBondContact CA-O 3.21Å; L12-H53 HydrophobicContact CD1-CB 3.74Å; L12-V55 HydrophobicContact CD1-CG2 3.84Å; L12-V55 HydrophobicContact CG-CG2 4.44Å; L12-L98 HydrophobicContact CD1-CD2 4.07Å; L12-L98 HydrophobicContact CD1-CG 4.47Å; L12-I99 HydrophobicContact CD2-CG1 3.91Å; L12-P104 HydrophobicContact CB-CB 3.86Å; L12-P104 HydrophobicContact CB-CG 4.01Å; L12-P104 HydrophobicContact CD2-CG 4.34Å; L12-E106 PolarHBondContact N-O 3.01Å; L12-I107 HydrophobicContact CB-CG1 4.18Å; L12-I107 HydrophobicContact CD2-CG1 4.44Å; L12-I107 CarbonylContact O-C 3.58Å; L12-I107 WeakPolarHBondContact O-CA 3.39Å; L12-Y108 PolarHBondContact O-N 3.31Å
13V98.4Very high82.4Confident0 Ų038.3 Ų38.30%023%0.233CC..EExtended strand (participates in β ladder)trans-111.5112.3-177.9-1760000109.1I16 L24 L28 V52 H53 G54 V55 Y108 L110V13-I16 HydrophobicContact CB-CB 4.45Å; V13-I16 HydrophobicContact CG1-CB 4.23Å; V13-I16 HydrophobicContact CG1-CG1 4.43Å; V13-L24 HydrophobicContact CG1-CD2 4.32Å; V13-L24 HydrophobicContact CG2-CD2 4.14Å; V13-L28 HydrophobicContact CG2-CD1 4.38Å; V13-V52 HydrophobicContact CG2-CG1 3.97Å; V13-H53 PolarHBondContact N-O 3.15Å; V13-G54 WeakPolarHBondContact O-CA 3.33Å; V13-V55 PolarHBondContact O-N 3.1Å; V13-Y108 HydrophobicContact CG2-CD2 4.19Å; V13-L110 HydrophobicContact CG1-CD1 3.96Å; V13-L110 HydrophobicContact CG1-CG 4.41Å
14T98.6Very high85.6Confident1 Ų130.5 Ų30.51%0.00619%0.191CC..EExtended strand (participates in β ladder)trans-80.4144.7167.476.30000108.9I16 V55 L89 Y108 N109 L110 A111 L137T14-I16 VanDerWaalsContact C-N 3.31Å; T14-I16 PolarHBondContact O-N 2.88Å; T14-V55 HydrophobicContact CG2-CB 4.47Å; T14-V55 HydrophobicContact CG2-CG2 4.02Å; T14-L89 HydrophobicContact CG2-CD2 4.32Å; T14-Y108 PolarHBondContact N-O 2.88Å; T14-N109 VanDerWaalsContact OG1-CA 3.3Å; T14-N109 WeakPolarHBondContact OG1-CA 3.36Å; T14-N109 PolarHBondContact OG1-OD1 3.44Å; T14-L110 CarbonylContact O-C 3.58Å; T14-L110 VanDerWaalsContact O-CB 3.28Å; T14-L110 WeakPolarHBondContact O-CB 3.41Å; T14-L110 PolarHBondContact O-N 3.32Å; T14-L110 PolarHBondContact OG1-N 3.46Å; T14-L110 VanDerWaalsContact OG1-N 3.09Å; T14-A111 PolarHBondContact O-N 2.87Å; T14-A111 WeakPolarHBondContact OG1-CB 3.41Å; T14-A111 PolarHBondContact OG1-N 3.23Å; T14-L137 HydrophobicContact CG2-CD1 3.98Å; T14-L137 HydrophobicContact CG2-CD2 4.32Å
15G97.5Very high88.8Confident22 Ų2226.5 Ų26.523%0.22715%0.15CC..THydrogen-bonded Turntrans72.827-179.900000113C17 G18G15-C17 PolarHBondContact O-N 3.15Å; G15-C17 VanDerWaalsContact O-N 3.14Å; G15-G18 PolarHBondContact O-N 2.98Å
16I97.7Very high91.6Very high0 Ų025.4 Ų25.40%013%0.132CC..THydrogen-bonded Turntrans-55.2-32-177.4-165.2169.5000113.5V13 T14 G18 G21 S22 T25 V52 G54 I56 I67 V82 L84V13-I16 HydrophobicContact CB-CB 4.45Å; V13-I16 HydrophobicContact CG1-CB 4.23Å; V13-I16 HydrophobicContact CG1-CG1 4.43Å; T14-I16 VanDerWaalsContact C-N 3.31Å; T14-I16 PolarHBondContact O-N 2.88Å; I16-G18 PolarHBondContact O-N 3.2Å; I16-G21 CarbonylContact O-C 3.13Å; I16-S22 PolarHBondContact O-N 2.93Å; I16-S22 VanDerWaalsContact O-N 3.12Å; I16-T25 HydrophobicContact CD1-CG2 4.24Å; I16-T25 WeakPolarHBondContact CD1-OG1 3.45Å; I16-T25 VanDerWaalsContact CG1-OG1 3.28Å; I16-T25 WeakPolarHBondContact CG1-OG1 3.39Å; I16-V52 HydrophobicContact CD1-CG1 4.45Å; I16-G54 VanDerWaalsContact CD1-CA 3.49Å; I16-I56 HydrophobicContact CG2-CG2 3.69Å; I16-I67 HydrophobicContact CG1-CD1 4.42Å; I16-I67 HydrophobicContact CG2-CD1 4.21Å; I16-V82 HydrophobicContact CD1-CG1 4.27Å; I16-L84 HydrophobicContact CD1-CD2 4.07Å; I16-L84 HydrophobicContact CG2-CD2 4.11Å
17C96.9Very high94Very high21 Ų2123.5 Ų23.514%0.14212%0.115CC..THydrogen-bonded Turntrans-77.9-2.1177.4-58.60000114.3G15 I56 N63 R66G15-C17 PolarHBondContact O-N 3.15Å; G15-C17 VanDerWaalsContact O-N 3.14Å; C17-I56 VanDerWaalsContact SG-CG2 3.57Å; C17-N63 VanDerWaalsContact CB-O 3.27Å; C17-N63 WeakPolarHBondContact CB-O 3.34Å; C17-N63 PolarHBondContact SG-O 3.24Å; C17-R66 WeakPolarHBondContact O-CD 3.49Å; C17-R66 PolarHBondContact O-NH1 3.25Å
18G97.1Very high95.6Very high27 Ų2715.6 Ų15.628%0.2788%0.084SC..SBendtrans-75.6179.8175.200000112.7G15 I16 S22 R66G15-G18 PolarHBondContact O-N 2.98Å; I16-G18 PolarHBondContact O-N 3.2Å; G18-S22 WeakPolarHBondContact O-CB 3.36Å; G18-S22 PolarHBondContact O-N 3.42Å; G18-S22 PolarHBondContact O-OG 2.93Å; G18-R66 WeakPolarHBondContact O-CD 3.46Å
19Q98.2Very high96.4Very high13 Ų1311.9 Ų11.96%0.0617%0.07CC..Hα-helixtrans-56.9-60.6173.5173.4-178.2-93.600110.2S22 Y23 H210 S212 R214 R215 A253Q19-S22 PolarHBondContact O-N 2.82Å; Q19-S22 PolarHBondContact O-OG 2.57Å; Q19-Y23 HydrophobicContact CG-CD2 4.27Å; Q19-Y23 HydrophobicContact CG-CE2 4.29Å; Q19-Y23 WeakPolarHBondContact O-CD2 3.14Å; Q19-Y23 PolarHBondContact O-N 3.34Å; Q19-H210 PolarHBondContact NE2-O 3.09Å; Q19-S212 VanDerWaalsContact CD-OG 3.28Å; Q19-S212 WeakPolarHBondContact CG-OG 3.25Å; Q19-S212 PolarHBondContact OE1-OG 3.28Å; Q19-R214 HydrophobicContact CG-CB 4.42Å; Q19-R215 VanDerWaalsContact OE1-CB 3.27Å; Q19-R215 VanDerWaalsContact OE1-CD 3.28Å; Q19-A253 HydrophobicContact CG-CB 3.83Å
20D98.6Very high96.6Very high29 Ų2914.9 Ų14.916%0.1559%0.09CC..Hα-helixtrans-72.8-39.1-169.7-44-23.3000110.4S22 Y23 L24 L110 H210 V257 M260D20-S22 VanDerWaalsContact C-N 3.26Å; D20-S22 PolarHBondContact O-N 2.91Å; D20-Y23 PolarHBondContact O-N 3.21Å; D20-L24 VanDerWaalsContact O-CB 3.24Å; D20-L24 WeakPolarHBondContact O-CB 3.45Å; D20-L24 PolarHBondContact O-N 2.96Å; D20-L110 HydrophobicContact CB-CD1 4.23Å; D20-H210 IonicContact OD1-CD2 2.91Å; D20-H210 PolarHBondContact OD1-CD2 2.79Å; D20-H210 IonicContact OD1-NE2 3.49Å; D20-H210 PolarHBondContact OD1-NE2 2.81Å; D20-H210 IonicContact OD2-CD2 3.96Å; D20-H210 IonicContact OD2-NE2 3.78Å; D20-H210 PolarHBondContact OD2-NE2 3.43Å; D20-H210 VanDerWaalsContact OD2-NE2 3.13Å; D20-V257 HydrophobicContact CB-CG1 4.02Å; D20-V257 WeakPolarHBondContact O-CG1 3.3Å; D20-M260 HydrophobicContact CB-CE 4.03Å
21G98.3Very high96.3Very high1 Ų119.4 Ų19.41%0.0111%0.109CC..Hα-helixtrans-55.2-40173.600000113.2I16 T25I16-G21 CarbonylContact O-C 3.13Å; G21-T25 WeakPolarHBondContact O-CB 3.43Å; G21-T25 PolarHBondContact O-N 2.66Å; G21-T25 PolarHBondContact O-OG1 2.79Å
22S98Very high95.2Very high0 Ų020.6 Ų20.60%012%0.122CC..Hα-helixtrans-68-4417873.20000112.7I16 G18 Q19 D20 E26 R66 R214I16-S22 PolarHBondContact O-N 2.93Å; I16-S22 VanDerWaalsContact O-N 3.12Å; G18-S22 WeakPolarHBondContact O-CB 3.36Å; G18-S22 PolarHBondContact O-N 3.42Å; G18-S22 PolarHBondContact O-OG 2.93Å; Q19-S22 PolarHBondContact O-N 2.82Å; Q19-S22 PolarHBondContact O-OG 2.57Å; D20-S22 VanDerWaalsContact C-N 3.26Å; D20-S22 PolarHBondContact O-N 2.91Å; S22-E26 PolarHBondContact O-N 3.1Å; S22-R66 WeakPolarHBondContact CB-O 3.4Å; S22-R214 VanDerWaalsContact OG-CD 3.3Å; S22-R214 WeakPolarHBondContact OG-CD 3.45Å; S22-R214 PolarHBondContact OG-NH1 2.89Å; S22-R214 VanDerWaalsContact OG-NH1 3.1Å
23Y98.3Very high93.7Very high12 Ų1220.6 Ų20.65%0.04712%0.122CC..Hα-helixtrans-71.6-38.9178.1-76.8-60.5000112.4Q19 D20 T25 E26 F27 R214 A253 R254Q19-Y23 HydrophobicContact CG-CD2 4.27Å; Q19-Y23 HydrophobicContact CG-CE2 4.29Å; Q19-Y23 WeakPolarHBondContact O-CD2 3.14Å; Q19-Y23 PolarHBondContact O-N 3.34Å; D20-Y23 PolarHBondContact O-N 3.21Å; Y23-T25 VanDerWaalsContact C-N 3.31Å; Y23-T25 PolarHBondContact O-N 3.39Å; Y23-E26 WeakPolarHBondContact O-CB 3.32Å; Y23-E26 PolarHBondContact O-N 3.42Å; Y23-F27 WeakPolarHBondContact O-CB 3.27Å; Y23-F27 PolarHBondContact O-N 2.96Å; Y23-R214 HydrophobicContact CE2-CB 4.18Å; Y23-R214 HydrophobicContact CE2-CG 4.19Å; Y23-A253 HydrophobicContact CD2-CB 4.05Å; Y23-A253 HydrophobicContact CE2-CB 4.22Å; Y23-R254 HydrophobicContact CD1-CB 4.25Å; Y23-R254 HydrophobicContact CD1-CG 4.39Å; Y23-R254 HydrophobicContact CE1-CB 4.47Å; Y23-R254 HydrophobicContact CG-CB 4.48Å
24L98.2Very high91.5Very high0 Ų023.4 Ų23.40%014%0.135CC..Hα-helixtrans-62.7-41.7176.2179.864.9000110.4V13 D20 E26 F27 L28 Y108 L110 V257V13-L24 HydrophobicContact CG1-CD2 4.32Å; V13-L24 HydrophobicContact CG2-CD2 4.14Å; D20-L24 VanDerWaalsContact O-CB 3.24Å; D20-L24 WeakPolarHBondContact O-CB 3.45Å; D20-L24 PolarHBondContact O-N 2.96Å; L24-E26 PolarHBondContact O-N 2.96Å; L24-F27 PolarHBondContact O-N 3.34Å; L24-L28 HydrophobicContact CD1-CD1 4.16Å; L24-L28 HydrophobicContact CD1-CD2 4.31Å; L24-L28 HydrophobicContact CD1-CG 3.97Å; L24-L28 HydrophobicContact CD2-CD1 4.43Å; L24-L28 HydrophobicContact CG-CD1 3.92Å; L24-L28 HydrophobicContact CG-CG 4.15Å; L24-L28 WeakPolarHBondContact O-CB 3.47Å; L24-L28 VanDerWaalsContact O-CG 3.27Å; L24-L28 WeakPolarHBondContact O-CG 3.5Å; L24-L28 PolarHBondContact O-N 3.16Å; L24-Y108 HydrophobicContact CD1-CD1 4.5Å; L24-Y108 HydrophobicContact CD1-CE1 4.29Å; L24-Y108 HydrophobicContact CD2-CD1 3.57Å; L24-Y108 HydrophobicContact CD2-CD2 3.98Å; L24-Y108 HydrophobicContact CD2-CE1 4.13Å; L24-Y108 HydrophobicContact CD2-CG 3.48Å; L24-Y108 VanDerWaalsContact CD2-CG 3.48Å; L24-L110 HydrophobicContact CD2-CD1 3.8Å; L24-V257 HydrophobicContact CB-CB 4.04Å; L24-V257 HydrophobicContact CB-CG1 3.98Å; L24-V257 HydrophobicContact CD1-CB 4.19Å
25T96.5Very high88.8Confident0 Ų026.8 Ų26.80%016%0.155CC..Hα-helixtrans-60.4-48176.9-570000110.9I16 G21 Y23 F27 L28 L29 V52 L70 V82I16-T25 HydrophobicContact CD1-CG2 4.24Å; I16-T25 WeakPolarHBondContact CD1-OG1 3.45Å; I16-T25 VanDerWaalsContact CG1-OG1 3.28Å; I16-T25 WeakPolarHBondContact CG1-OG1 3.39Å; G21-T25 WeakPolarHBondContact O-CB 3.43Å; G21-T25 PolarHBondContact O-N 2.66Å; G21-T25 PolarHBondContact O-OG1 2.79Å; Y23-T25 VanDerWaalsContact C-N 3.31Å; Y23-T25 PolarHBondContact O-N 3.39Å; T25-F27 VanDerWaalsContact C-N 3.32Å; T25-F27 PolarHBondContact O-N 3.39Å; T25-L28 PolarHBondContact O-N 2.71Å; T25-L29 HydrophobicContact CG2-CD1 3.98Å; T25-L29 HydrophobicContact CG2-CG 4.42Å; T25-L29 WeakPolarHBondContact O-CB 3.37Å; T25-L29 WeakPolarHBondContact O-CD1 3.3Å; T25-L29 WeakPolarHBondContact O-CG 3.31Å; T25-L29 PolarHBondContact O-N 2.86Å; T25-V52 HydrophobicContact CG2-CB 4.45Å; T25-V52 HydrophobicContact CG2-CG1 4.06Å; T25-L70 HydrophobicContact CG2-CD1 3.54Å; T25-V82 HydrophobicContact CG2-CG1 4.36Å; T25-V82 HydrophobicContact CG2-CG2 3.96Å
26E95.2Very high86.3Confident22 Ų2227 Ų2710%0.10315%0.153CC..Hα-helixtrans-55.6-47173-73.6169.9-171.800112.2S22 Y23 L24 L29 N30 H69 L70 R214 R254S22-E26 PolarHBondContact O-N 3.1Å; Y23-E26 WeakPolarHBondContact O-CB 3.32Å; Y23-E26 PolarHBondContact O-N 3.42Å; L24-E26 PolarHBondContact O-N 2.96Å; E26-L29 PolarHBondContact O-N 3.39Å; E26-N30 WeakPolarHBondContact O-CB 3.43Å; E26-N30 VanDerWaalsContact O-CG 3.27Å; E26-N30 PolarHBondContact O-N 2.95Å; E26-N30 PolarHBondContact O-ND2 3.03Å; E26-H69 IonicContact OE1-CD2 2.67Å; E26-H69 IonicContact OE1-CE1 3.62Å; E26-H69 PolarHBondContact OE1-CE1 3.45Å; E26-H69 VanDerWaalsContact OE1-CE1 3.25Å; E26-H69 IonicContact OE1-NE2 3.28Å; E26-H69 PolarHBondContact OE1-NE2 3.22Å; E26-L70 HydrophobicContact CG-CD2 3.86Å; E26-R214 IonicContact OE1-CZ 3.55Å; E26-R214 IonicContact OE1-NH1 2.82Å; E26-R214 PolarHBondContact OE1-NH1 3.11Å; E26-R214 IonicContact OE1-NH2 2.73Å; E26-R214 PolarHBondContact OE1-NH2 3.37Å; E26-R214 IonicContact OE2-NH1 2.69Å; E26-R214 IonicContact OE2-NH2 2.97Å; E26-R254 IonicContact OE2-CZ 3.73Å; E26-R254 IonicContact OE2-NH2 3.57Å; E26-R254 PolarHBondContact OE2-NH2 2.97Å
27F95.9Very high83.8Confident32 Ų3232 Ų3214%0.1418%0.179CC..Hα-helixtrans-61.8-48.8-178.1-176.1-88.1000111.8Y23 L24 T25 N30 K31 V257 E258 W261Y23-F27 WeakPolarHBondContact O-CB 3.27Å; Y23-F27 PolarHBondContact O-N 2.96Å; L24-F27 PolarHBondContact O-N 3.34Å; T25-F27 VanDerWaalsContact C-N 3.32Å; T25-F27 PolarHBondContact O-N 3.39Å; F27-N30 PolarHBondContact O-N 2.92Å; F27-K31 HydrophobicContact CD1-CG 4.11Å; F27-K31 HydrophobicContact CE1-CD 4.34Å; F27-K31 HydrophobicContact CE1-CG 3.76Å; F27-K31 HydrophobicContact CZ-CD 4.4Å; F27-K31 HydrophobicContact CZ-CG 4.25Å; F27-K31 WeakPolarHBondContact O-CG 3.5Å; F27-K31 PolarHBondContact O-N 3.34Å; F27-V257 HydrophobicContact CB-CG2 4.4Å; F27-E258 HydrophobicContact CD2-CB 4.36Å; F27-E258 HydrophobicContact CE2-CB 3.65Å; F27-E258 HydrophobicContact CE2-CG 3.84Å; F27-E258 HydrophobicContact CZ-CB 3.82Å; F27-E258 HydrophobicContact CZ-CG 3.68Å; F27-W261 HydrophobicContact CD1-CB 4.23Å; F27-W261 HydrophobicContact CD1-CG 4.34Å; F27-W261 HydrophobicContact CE1-CB 3.74Å; F27-W261 AromaticContact CE1-CD2 3.68Å; F27-W261 HydrophobicContact CE1-CD2 3.68Å; F27-W261 AromaticContact CE1-CE3 3.77Å; F27-W261 HydrophobicContact CE1-CE3 3.77Å; F27-W261 AromaticContact CE1-CG 3.67Å; F27-W261 HydrophobicContact CE1-CG 3.67Å; F27-W261 HydrophobicContact CZ-CD2 4.36Å; F27-W261 AromaticContact CZ-CE3 3.97Å; F27-W261 HydrophobicContact CZ-CE3 3.97Å
28L94.7Very high81.1Confident0 Ų034.2 Ų34.20%020%0.195CC..Hα-helixtrans-62.4-45.6179.1-67.5176.7000111A11 V13 L24 T25 N30 K31 Y33 V52 Y108 W261A11-L28 HydrophobicContact CB-CD1 3.73Å; V13-L28 HydrophobicContact CG2-CD1 4.38Å; L24-L28 HydrophobicContact CD1-CD1 4.16Å; L24-L28 HydrophobicContact CD1-CD2 4.31Å; L24-L28 HydrophobicContact CD1-CG 3.97Å; L24-L28 HydrophobicContact CD2-CD1 4.43Å; L24-L28 HydrophobicContact CG-CD1 3.92Å; L24-L28 HydrophobicContact CG-CG 4.15Å; L24-L28 WeakPolarHBondContact O-CB 3.47Å; L24-L28 VanDerWaalsContact O-CG 3.27Å; L24-L28 WeakPolarHBondContact O-CG 3.5Å; L24-L28 PolarHBondContact O-N 3.16Å; T25-L28 PolarHBondContact O-N 2.71Å; L28-N30 VanDerWaalsContact C-N 3.29Å; L28-N30 PolarHBondContact O-N 2.79Å; L28-K31 WeakPolarHBondContact O-CB 3.28Å; L28-K31 PolarHBondContact O-N 3.37Å; L28-Y33 HydrophobicContact CB-CD1 4.4Å; L28-Y33 HydrophobicContact CB-CD2 4.21Å; L28-Y33 HydrophobicContact CB-CG 4.04Å; L28-Y33 HydrophobicContact CD2-CD2 4.47Å; L28-Y33 HydrophobicContact CD2-CE1 4.44Å; L28-Y33 HydrophobicContact CD2-CE2 4.14Å; L28-Y33 WeakPolarHBondContact O-CB 3.48Å; L28-Y33 WeakPolarHBondContact O-CD2 3.49Å; L28-Y33 PolarHBondContact O-N 2.8Å; L28-Y33 VanDerWaalsContact O-N 3.09Å; L28-V52 HydrophobicContact CB-CG2 3.98Å; L28-V52 HydrophobicContact CD1-CG2 4.33Å; L28-Y108 HydrophobicContact CD1-CD2 4.44Å; L28-Y108 HydrophobicContact CD1-CE2 3.97Å; L28-W261 HydrophobicContact CD2-CG 4.33Å
29L91.3Very high78.4Confident2 Ų235.9 Ų35.91%0.0120%0.197CC..Iπ-helixtrans-56.2-45.4176.6-71.8171.9000111.2T25 E26 K31 G32 Y33 Q34 V52 L70 I76 A81 V82T25-L29 HydrophobicContact CG2-CD1 3.98Å; T25-L29 HydrophobicContact CG2-CG 4.42Å; T25-L29 WeakPolarHBondContact O-CB 3.37Å; T25-L29 WeakPolarHBondContact O-CD1 3.3Å; T25-L29 WeakPolarHBondContact O-CG 3.31Å; T25-L29 PolarHBondContact O-N 2.86Å; E26-L29 PolarHBondContact O-N 3.39Å; L29-K31 VanDerWaalsContact C-N 3.29Å; L29-K31 PolarHBondContact O-N 2.96Å; L29-G32 PolarHBondContact O-N 3.5Å; L29-G32 VanDerWaalsContact O-N 3.1Å; L29-Y33 PolarHBondContact O-N 3.47Å; L29-Q34 HydrophobicContact CB-CG 3.76Å; L29-Q34 HydrophobicContact CD2-CG 3.63Å; L29-Q34 HydrophobicContact CG-CG 4.26Å; L29-Q34 WeakPolarHBondContact O-CG 3.44Å; L29-V52 HydrophobicContact CD2-CG2 4.2Å; L29-V52 HydrophobicContact CG-CG2 4.36Å; L29-L70 HydrophobicContact CD1-CD1 4.4Å; L29-L70 HydrophobicContact CD1-CD2 4.33Å; L29-I76 HydrophobicContact CD1-CD1 3.87Å; L29-A81 HydrophobicContact CD2-CB 3.78Å; L29-V82 HydrophobicContact CD1-CG2 3.69Å; L29-V82 HydrophobicContact CD2-CG2 3.88Å; L29-V82 HydrophobicContact CG-CG2 4.24Å
30N89.8Confident75.8Confident130 Ų13041.3 Ų41.370%0.69522%0.22SC*.Iπ-helixtrans-66.5-26.1176.8-70.8-22000113.8E26 F27 L28 G32E26-N30 WeakPolarHBondContact O-CB 3.43Å; E26-N30 VanDerWaalsContact O-CG 3.27Å; E26-N30 PolarHBondContact O-N 2.95Å; E26-N30 PolarHBondContact O-ND2 3.03Å; F27-N30 PolarHBondContact O-N 2.92Å; L28-N30 VanDerWaalsContact C-N 3.29Å; L28-N30 PolarHBondContact O-N 2.79Å; N30-G32 PolarHBondContact O-N 3.17Å
31K87.2Confident73.1Confident94 Ų9446.8 Ų46.841%0.40925%0.25SC..Iπ-helixtrans-76.58.5172.9-70.3-68.9-173.8-179.10113.5F27 L28 L29 Y33 W261F27-K31 HydrophobicContact CD1-CG 4.11Å; F27-K31 HydrophobicContact CE1-CD 4.34Å; F27-K31 HydrophobicContact CE1-CG 3.76Å; F27-K31 HydrophobicContact CZ-CD 4.4Å; F27-K31 HydrophobicContact CZ-CG 4.25Å; F27-K31 WeakPolarHBondContact O-CG 3.5Å; F27-K31 PolarHBondContact O-N 3.34Å; L28-K31 WeakPolarHBondContact O-CB 3.28Å; L28-K31 PolarHBondContact O-N 3.37Å; L29-K31 VanDerWaalsContact C-N 3.29Å; L29-K31 PolarHBondContact O-N 2.96Å; K31-Y33 HydrophobicContact CB-CD2 4.31Å; K31-Y33 HydrophobicContact CB-CE2 4.5Å; K31-W261 HydrophobicContact CD-CH2 4.27Å; K31-W261 HydrophobicContact CD-CZ2 4.31Å
32G75.8Confident70.6Confident26 Ų2652.2 Ų52.227%0.26828%0.277SS..Iπ-helixtrans96.27179.600000113.9L29 N30 Q34 V35 F50L29-G32 PolarHBondContact O-N 3.5Å; L29-G32 VanDerWaalsContact O-N 3.1Å; N30-G32 PolarHBondContact O-N 3.17Å; G32-Q34 PolarHBondContact O-N 3.17Å; G32-V35 PolarHBondContact O-N 3.34Å; G32-F50 WeakPolarHBondContact O-CB 3.32Å; G32-F50 WeakPolarHBondContact O-CD1 3.46Å; G32-F50 WeakPolarHBondContact O-CG 3.48Å
33Y66.1Low68.3Low1 Ų160 Ų600%0.00431%0.311CS..Iπ-helixtrans-67.913.8172-70.2-122.1000113K9 A11 L28 L29 K31 F50 K51 V52 E106K9-Y33 HydrophobicContact CB-CD1 4.14Å; K9-Y33 HydrophobicContact CB-CE1 3.66Å; K9-Y33 HydrophobicContact CB-CE2 4.17Å; K9-Y33 HydrophobicContact CD-CE2 3.8Å; K9-Y33 VanDerWaalsContact O-CD1 3.31Å; K9-Y33 WeakPolarHBondContact O-CD1 3.47Å; A11-Y33 HydrophobicContact CB-CD1 4.14Å; A11-Y33 HydrophobicContact CB-CE1 3.89Å; L28-Y33 HydrophobicContact CB-CD1 4.4Å; L28-Y33 HydrophobicContact CB-CD2 4.21Å; L28-Y33 HydrophobicContact CB-CG 4.04Å; L28-Y33 HydrophobicContact CD2-CD2 4.47Å; L28-Y33 HydrophobicContact CD2-CE1 4.44Å; L28-Y33 HydrophobicContact CD2-CE2 4.14Å; L28-Y33 WeakPolarHBondContact O-CB 3.48Å; L28-Y33 WeakPolarHBondContact O-CD2 3.49Å; L28-Y33 PolarHBondContact O-N 2.8Å; L28-Y33 VanDerWaalsContact O-N 3.09Å; L29-Y33 PolarHBondContact O-N 3.47Å; K31-Y33 HydrophobicContact CB-CD2 4.31Å; K31-Y33 HydrophobicContact CB-CE2 4.5Å; Y33-F50 CarbonylContact C-O 3.49Å; Y33-F50 CarbonylContact O-C 3.56Å; Y33-K51 PolarHBondContact O-N 2.79Å; Y33-V52 HydrophobicContact CD1-CG2 4.42Å; Y33-E106 PolarHBondContact OH-OE1 3.14Å; Y33-E106 VanDerWaalsContact OH-OE1 3.09Å; Y33-E106 PolarHBondContact OH-OE2 3.26Å
34Q51.9Low65.8Low58 Ų5862.4 Ų62.427%0.27134%0.34SS..THydrogen-bonded Turntrans-93.8-24.2177.8-75.5173.3-2.700114.5L29 G32 S36 A81L29-Q34 HydrophobicContact CB-CG 3.76Å; L29-Q34 HydrophobicContact CD2-CG 3.63Å; L29-Q34 HydrophobicContact CG-CG 4.26Å; L29-Q34 WeakPolarHBondContact O-CG 3.44Å; G32-Q34 PolarHBondContact O-N 3.17Å; Q34-S36 PolarHBondContact O-N 3.21Å; Q34-A81 HydrophobicContact CB-CB 4.44Å; Q34-A81 HydrophobicContact CG-CB 4.44Å
35V41.3Very low63.1Low73 Ų7368.3 Ų68.344%0.44237%0.371SS..  trans-91.389-166.1-172.60000111.6G32 I37 F50G32-V35 PolarHBondContact O-N 3.34Å; V35-I37 HydrophobicContact CG1-CG1 4.26Å; V35-F50 HydrophobicContact CB-CD2 4.14Å; V35-F50 WeakPolarHBondContact O-CB 3.15Å; V35-F50 WeakPolarHBondContact O-CD2 3.29Å; V35-F50 PolarHBondContact O-N 3.28Å
36S45.8Very low60.6Low25 Ų2573 Ų7318%0.17540%0.395CS..  trans-107.574.8162.31660000109.2Q34 S38 K51Q34-S36 PolarHBondContact O-N 3.21Å; S36-S38 PolarHBondContact O-N 3Å; S36-K51 WeakPolarHBondContact OG-CE 3.34Å
37I44.2Very low58.3Low106 Ų10674.9 Ų74.954%0.54441%0.405SS..  trans-88.696.5162.8-56.6177.2000106.8V35 L39 I47V35-I37 HydrophobicContact CG1-CG1 4.26Å; I37-L39 VanDerWaalsContact C-N 3.29Å; I37-L39 HydrophobicContact CG2-CG 4.02Å; I37-L39 PolarHBondContact O-N 3.23Å; I37-I47 WeakPolarHBondContact O-CB 3.45Å; I37-I47 WeakPolarHBondContact O-CG2 3.26Å
38S41.5Very low56.3Low68 Ų6874.5 Ų74.548%0.47641%0.408SS..  trans-71.485.5168.9178.70000109.1S36 K40S36-S38 PolarHBondContact O-N 3Å; S38-K40 PolarHBondContact O-N 3.04Å; S38-K40 WeakPolarHBondContact OG-CB 3.47Å
39L38.6Very low54.9Low62 Ų6277 Ų7733%0.32542%0.42SS..G310 helixtrans-74.614.9162.4-75.1172.3000112.4I37 D41 I42 F43 I47I37-L39 VanDerWaalsContact C-N 3.29Å; I37-L39 HydrophobicContact CG2-CG 4.02Å; I37-L39 PolarHBondContact O-N 3.23Å; L39-D41 PolarHBondContact O-N 3.26Å; L39-D41 VanDerWaalsContact O-N 3.1Å; L39-I42 HydrophobicContact CD2-CB 4.09Å; L39-I42 HydrophobicContact CD2-CD1 3.76Å; L39-I42 HydrophobicContact CD2-CG1 4.09Å; L39-I42 PolarHBondContact O-N 3.26Å; L39-F43 PolarHBondContact O-N 3.14Å; L39-F43 VanDerWaalsContact O-N 3.09Å; L39-I47 HydrophobicContact CB-CD1 3.41Å; L39-I47 VanDerWaalsContact CB-CD1 3.41Å; L39-I47 HydrophobicContact CB-CG1 4.07Å; L39-I47 HydrophobicContact CD1-CD1 3.2Å; L39-I47 HydrophobicContact CG-CD1 3.56Å
40K43.7Very low54.1Low126 Ų12678.4 Ų78.455%0.54843%0.426SS..G310 helixtrans-54.8-26.8169.3-123.5178.5-179.2179.60111.4S38S38-K40 PolarHBondContact O-N 3.04Å; S38-K40 WeakPolarHBondContact OG-CB 3.47Å
41D42.7Very low54.2Low145 Ų14574 Ų7478%0.77540%0.401SS*.G310 helixtrans-82.3-8.8179.7-59.5-29000114.3L39L39-D41 PolarHBondContact O-N 3.26Å; L39-D41 VanDerWaalsContact O-N 3.1Å
42I46.2Very low54.5Low115 Ų11569.6 Ų69.659%0.5938%0.381SS*.THydrogen-bonded Turntrans-121.4-36.8-176.9-52-174.6000113.2L39L39-I42 HydrophobicContact CD2-CB 4.09Å; L39-I42 HydrophobicContact CD2-CD1 3.76Å; L39-I42 HydrophobicContact CD2-CG1 4.09Å; L39-I42 PolarHBondContact O-N 3.26Å
43F49.3Very low55.5Low164 Ų16469.4 Ų69.472%0.71937%0.373SS*.THydrogen-bonded Turntrans-136.43.2-174.1-74.6-73.1000116.1L39 L45L39-F43 PolarHBondContact O-N 3.14Å; L39-F43 VanDerWaalsContact O-N 3.09Å; F43-L45 PolarHBondContact O-N 3.31Å
44G45.7Very low57Low62 Ų6269.3 Ų69.364%0.63937%0.373SS*.  trans66.32.6178.700000115.5
45L41Very low59.1Low124 Ų12467.2 Ų67.265%0.64936%0.364SS*.  trans-79.4128.4171-110.794.8000110.1F43 I47F43-L45 PolarHBondContact O-N 3.31Å; L45-I47 PolarHBondContact O-N 2.56Å
46L44.2Very low61.7Low97 Ų9764.4 Ų64.451%0.50835%0.346SS..  trans-7292.1171.5-165.2103.1000108.7S6S6-L46 WeakPolarHBondContact OG-CD2 3.35Å
47I48.2Very low64Low63 Ų6369.9 Ų69.932%0.32336%0.363SS..  trans-70.5141.1172-59-161.5000108.7I37 L39 L45 E49I37-I47 WeakPolarHBondContact O-CB 3.45Å; I37-I47 WeakPolarHBondContact O-CG2 3.26Å; L39-I47 HydrophobicContact CB-CD1 3.41Å; L39-I47 VanDerWaalsContact CB-CD1 3.41Å; L39-I47 HydrophobicContact CB-CG1 4.07Å; L39-I47 HydrophobicContact CD1-CD1 3.2Å; L39-I47 HydrophobicContact CG-CD1 3.56Å; L45-I47 PolarHBondContact O-N 2.56Å; I47-E49 PolarHBondContact O-N 3.12Å
48A52.6Low66.3Low24 Ų2474.1 Ų74.120%0.19837%0.372CS..  trans-40123179.400000111.6Y7 F50Y7-A48 WeakPolarHBondContact O-CA 3.26Å; Y7-A48 WeakPolarHBondContact O-CB 3.33Å; A48-F50 HydrophobicContact CB-CD2 3.83Å; A48-F50 HydrophobicContact CB-CE2 3.34Å; A48-F50 HydrophobicContact CB-CZ 4.18Å
49E65.6Low68.7Low52 Ų5273.4 Ų73.424%0.24337%0.367CS..  trans-102.2113.4179.6-179.5-179.3-146.900108.5Y7 R8 K9 V10 I47 K51Y7-E49 PolarHBondContact O-N 2.96Å; R8-E49 CarbonylContact C-O 3.58Å; R8-E49 WeakPolarHBondContact CA-O 3.07Å; R8-E49 HydrophobicContact CG-CB 4.21Å; R8-E49 IonicContact CZ-OE2 3.98Å; R8-E49 IonicContact NE-OE2 3.48Å; R8-E49 PolarHBondContact NE-OE2 2.83Å; R8-E49 IonicContact NH2-OE2 3.37Å; K9-E49 CarbonylContact C-O 3.54Å; K9-E49 PolarHBondContact N-O 3.43Å; V10-E49 HydrophobicContact CG2-CG 4.16Å; I47-E49 PolarHBondContact O-N 3.12Å; E49-K51 HydrophobicContact CG-CD 4.14Å; E49-K51 HydrophobicContact CG-CG 4.23Å; E49-K51 WeakPolarHBondContact OE1-CE 3.47Å; E49-K51 IonicContact OE1-NZ 2.85Å; E49-K51 PolarHBondContact OE1-NZ 3.05Å
50F75.6Confident71.1Confident31 Ų3175.4 Ų75.414%0.13639%0.387CS..EExtended strand (participates in β ladder)trans-118.6107.9-176.6-78.4-72.8000108.3K9 G32 Y33 V35 A48K9-F50 HydrophobicContact CB-CD1 3.65Å; K9-F50 HydrophobicContact CB-CE1 3.75Å; K9-F50 HydrophobicContact CD-CD1 4.45Å; K9-F50 HydrophobicContact CD-CE1 3.85Å; K9-F50 HydrophobicContact CG-CD1 4.14Å; K9-F50 HydrophobicContact CG-CE1 3.68Å; K9-F50 WeakPolarHBondContact O-CA 3.3Å; G32-F50 WeakPolarHBondContact O-CB 3.32Å; G32-F50 WeakPolarHBondContact O-CD1 3.46Å; G32-F50 WeakPolarHBondContact O-CG 3.48Å; Y33-F50 CarbonylContact C-O 3.49Å; Y33-F50 CarbonylContact O-C 3.56Å; V35-F50 HydrophobicContact CB-CD2 4.14Å; V35-F50 WeakPolarHBondContact O-CB 3.15Å; V35-F50 WeakPolarHBondContact O-CD2 3.29Å; V35-F50 PolarHBondContact O-N 3.28Å; A48-F50 HydrophobicContact CB-CD2 3.83Å; A48-F50 HydrophobicContact CB-CE2 3.34Å; A48-F50 HydrophobicContact CB-CZ 4.18Å
51K90.3Very high73.2Confident39 Ų3973.3 Ų73.317%0.1739%0.388CS..EExtended strand (participates in β ladder)trans-147.3147.5-175.7-69.8-177-178.8157.20112.3K9 V10 A11 Y33 S36 E49K9-K51 PolarHBondContact O-N 2.72Å; K9-K51 VanDerWaalsContact O-N 3.17Å; V10-K51 WeakPolarHBondContact CA-O 3.39Å; V10-K51 HydrophobicContact CG2-CB 4.5Å; A11-K51 PolarHBondContact N-O 2.88Å; Y33-K51 PolarHBondContact O-N 2.79Å; S36-K51 WeakPolarHBondContact OG-CE 3.34Å; E49-K51 HydrophobicContact CG-CD 4.14Å; E49-K51 HydrophobicContact CG-CG 4.23Å; E49-K51 WeakPolarHBondContact OE1-CE 3.47Å; E49-K51 IonicContact OE1-NZ 2.85Å; E49-K51 PolarHBondContact OE1-NZ 3.05Å
52V94.6Very high75.2Confident0 Ų076.2 Ų76.20%039%0.394CS..EExtended strand (participates in β ladder)trans-111.8121.7169.1-173.70000109.3V13 I16 T25 L28 L29 Y33 A81 V82 T83V13-V52 HydrophobicContact CG2-CG1 3.97Å; I16-V52 HydrophobicContact CD1-CG1 4.45Å; T25-V52 HydrophobicContact CG2-CB 4.45Å; T25-V52 HydrophobicContact CG2-CG1 4.06Å; L28-V52 HydrophobicContact CB-CG2 3.98Å; L28-V52 HydrophobicContact CD1-CG2 4.33Å; L29-V52 HydrophobicContact CD2-CG2 4.2Å; L29-V52 HydrophobicContact CG-CG2 4.36Å; Y33-V52 HydrophobicContact CD1-CG2 4.42Å; V52-A81 PolarHBondContact N-O 3.25Å; V52-V82 CarbonylContact O-C 3.23Å; V52-V82 VanDerWaalsContact O-CA 3.26Å; V52-V82 WeakPolarHBondContact O-CA 3.4Å; V52-T83 PolarHBondContact O-N 3.21Å
53H96.2Very high77.3Confident22 Ų2273.6 Ų73.610%0.10238%0.381CS..EExtended strand (participates in β ladder)trans-102.8128.8174.4-70.8-115.9000108.7A11 L12 V13 T83 H85 V102A11-H53 PolarHBondContact O-N 2.86Å; L12-H53 CarbonylContact C-O 3.54Å; L12-H53 WeakPolarHBondContact CA-O 3.21Å; L12-H53 HydrophobicContact CD1-CB 3.74Å; V13-H53 PolarHBondContact N-O 3.15Å; H53-T83 CarbonylContact C-O 3.49Å; H53-T83 VanDerWaalsContact CA-O 3.28Å; H53-T83 WeakPolarHBondContact CA-O 3.32Å; H53-H85 AromaticContact CE1-NE2 3.82Å; H53-H85 AromaticContact CG-NE2 3.81Å; H53-H85 AromaticContact ND1-CD2 3.77Å; H53-H85 AromaticContact ND1-CE1 3.76Å; H53-H85 AromaticContact ND1-NE2 2.92Å; H53-H85 PolarHBondContact ND1-NE2 3.05Å; H53-V102 HydrophobicContact CB-CG1 4.1Å; H53-V102 HydrophobicContact CB-CG2 4.45Å; H53-V102 WeakPolarHBondContact ND1-CG2 3.37Å
54G97Very high79.3Confident0 Ų067.2 Ų67.20%036%0.355CS..EExtended strand (participates in β ladder)trans-111.7132.7-179.300000112.2V13 I16 T83 L84 H85V13-G54 WeakPolarHBondContact O-CA 3.33Å; I16-G54 VanDerWaalsContact CD1-CA 3.49Å; G54-T83 PolarHBondContact N-O 2.94Å; G54-L84 CarbonylContact O-C 3.55Å; G54-L84 WeakPolarHBondContact O-CA 3.3Å; G54-H85 PolarHBondContact O-N 3.22Å
55V97.1Very high81.5Confident14 Ų1466.9 Ų66.99%0.08535%0.352CS..EExtended strand (participates in β ladder)trans-90.1121.1169.9-1690000109.5L12 V13 T14 H85 L98L12-V55 HydrophobicContact CD1-CG2 3.84Å; L12-V55 HydrophobicContact CG-CG2 4.44Å; V13-V55 PolarHBondContact O-N 3.1Å; T14-V55 HydrophobicContact CG2-CB 4.47Å; T14-V55 HydrophobicContact CG2-CG2 4.02Å; V55-H85 WeakPolarHBondContact CA-O 3.17Å; V55-L98 HydrophobicContact CG2-CD2 3.6Å
56I95.9Very high84.1Confident13 Ų1365 Ų657%0.06734%0.336CS..EExtended strand (participates in β ladder)trans-116.8141.6176.463.1167.3000111I16 C17 L84 H85 Y86 G87I16-I56 HydrophobicContact CG2-CG2 3.69Å; C17-I56 VanDerWaalsContact SG-CG2 3.57Å; I56-L84 HydrophobicContact CD1-CB 3.98Å; I56-L84 HydrophobicContact CD1-CD1 4.1Å; I56-L84 HydrophobicContact CG1-CB 4.21Å; I56-L84 HydrophobicContact CG2-CB 4.29Å; I56-L84 HydrophobicContact CG2-CD1 4.1Å; I56-L84 HydrophobicContact CG2-CD2 4.13Å; I56-L84 HydrophobicContact CG2-CG 4.37Å; I56-H85 WeakPolarHBondContact CG1-O 3.25Å; I56-H85 PolarHBondContact N-O 3.31Å; I56-Y86 HydrophobicContact CD1-CD1 4.03Å; I56-Y86 HydrophobicContact CD1-CE1 3.69Å; I56-Y86 HydrophobicContact CG1-CD1 3.87Å; I56-Y86 HydrophobicContact CG1-CE1 4.05Å; I56-Y86 WeakPolarHBondContact O-CA 3.37Å; I56-G87 PolarHBondContact O-N 3.01Å
57R94.6Very high86.5Confident140 Ų14060.4 Ų60.453%0.52831%0.312SS..  trans-80.4139.8170.8-65.8-170.7-61.1166.10.9109.6S59 N63 D88 Y125R57-S59 PolarHBondContact O-N 3.4Å; R57-N63 PolarHBondContact O-ND2 2.98Å; R57-D88 WeakPolarHBondContact CD-OD2 3.13Å; R57-Y125 PolarHBondContact NH1-OH 2.96Å
58R92.9Very high88.5Confident195 Ų19562.6 Ų62.674%0.73632%0.321SS*.  trans-60131.6168-173.7-87.8176.9176.81.5108.8Y86R58-Y86 HydrophobicContact CB-CD1 4.1Å; R58-Y86 HydrophobicContact CB-CE1 4.28Å
59S91.7Very high90.4Very high53 Ų5365.2 Ų65.237%0.37133%0.329SS..  trans-134149.1177.81730000109.2R57 S61 N63R57-S59 PolarHBondContact O-N 3.4Å; S59-S61 WeakPolarHBondContact CB-O 3.47Å; S59-S61 PolarHBondContact O-N 3.05Å; S59-S61 PolarHBondContact OG-N 2.99Å; S59-S61 PolarHBondContact OG-O 2.73Å; S59-N63 WeakPolarHBondContact CB-ND2 3.39Å
60S88.9Confident91.5Very high105 Ų10563.2 Ų63.273%0.73432%0.32SS*.SBendtrans-74.6-10.5172.453.10000112.9
61S88Confident91.8Very high81 Ų8164.7 Ų64.757%0.56633%0.325SS*.SBendtrans-129.1155.8176.6-53.30000110S59 N63S59-S61 WeakPolarHBondContact CB-O 3.47Å; S59-S61 PolarHBondContact O-N 3.05Å; S59-S61 PolarHBondContact OG-N 2.99Å; S59-S61 PolarHBondContact OG-O 2.73Å; S61-N63 PolarHBondContact O-N 2.84Å
62F84.4Confident91.5Very high206 Ų20668.5 Ų68.590%0.90435%0.347SS*.  trans-57.2125.7175.3-66.7-71.3000110.9
63N88.8Confident90.9Very high60 Ų6071.2 Ų71.232%0.32136%0.362SS..  trans-125.117.4-177.565.8-8.6000112.5C17 R57 S59 S61C17-N63 VanDerWaalsContact CB-O 3.27Å; C17-N63 WeakPolarHBondContact CB-O 3.34Å; C17-N63 PolarHBondContact SG-O 3.24Å; R57-N63 PolarHBondContact O-ND2 2.98Å; S59-N63 WeakPolarHBondContact CB-ND2 3.39Å; S61-N63 PolarHBondContact O-N 2.84Å
64T92.2Very high90.2Very high30 Ų3074.6 Ų74.618%0.18439%0.386CS..  trans-105.57.5-176.548.60000113.6R66 I67 E68 L84T64-R66 PolarHBondContact O-N 2.91Å; T64-I67 HydrophobicContact CG2-CD1 4.41Å; T64-I67 CarbonylContact O-C 3.53Å; T64-I67 WeakPolarHBondContact O-CG1 3.42Å; T64-I67 PolarHBondContact O-N 3.17Å; T64-E68 PolarHBondContact O-N 2.87Å; T64-L84 HydrophobicContact CG2-CD1 4.11Å
65G92.3Very high89.3Confident55 Ų5579.9 Ų79.957%0.56741%0.413SS*.THydrogen-bonded Turntrans-57.9-20.4-171.700000116.1I67G65-I67 VanDerWaalsContact C-N 3.34Å
66R95Very high88.4Confident85 Ų8579.5 Ų79.532%0.32141%0.41SS..THydrogen-bonded Turntrans-79.6-13.3174.6-66.4-169.5-174.980.39.4114.6C17 G18 S22 T64 H69 R214C17-R66 WeakPolarHBondContact O-CD 3.49Å; C17-R66 PolarHBondContact O-NH1 3.25Å; G18-R66 WeakPolarHBondContact O-CD 3.46Å; S22-R66 WeakPolarHBondContact CB-O 3.4Å; T64-R66 PolarHBondContact O-N 2.91Å; R66-H69 PolarHBondContact O-CE1 3.32Å; R66-R214 PolarHBondContact NE-O 2.87Å; R66-R214 PolarHBondContact NH2-O 3.39Å
67I94.3Very high87.5Confident0 Ų084.2 Ų84.20%043%0.432CS..THydrogen-bonded Turntrans-1284.4-176.760.9168.4000112.2I16 T64 G65 H69 L70 L84I16-I67 HydrophobicContact CG1-CD1 4.42Å; I16-I67 HydrophobicContact CG2-CD1 4.21Å; T64-I67 HydrophobicContact CG2-CD1 4.41Å; T64-I67 CarbonylContact O-C 3.53Å; T64-I67 WeakPolarHBondContact O-CG1 3.42Å; T64-I67 PolarHBondContact O-N 3.17Å; G65-I67 VanDerWaalsContact C-N 3.34Å; I67-H69 VanDerWaalsContact C-N 3.29Å; I67-H69 PolarHBondContact O-N 3.12Å; I67-L70 HydrophobicContact CB-CD1 4.08Å; I67-L70 HydrophobicContact CG2-CD1 4.2Å; I67-L70 WeakPolarHBondContact O-CB 3.49Å; I67-L70 PolarHBondContact O-N 3.3Å; I67-L70 VanDerWaalsContact O-N 3.1Å; I67-L84 HydrophobicContact CD1-CD1 4.08Å; I67-L84 HydrophobicContact CD1-CD2 4.01Å
68E91.5Very high86.6Confident110 Ų11082.9 Ų82.951%0.51444%0.439SS..Hα-helixtrans-59.4-42.1-179.1-174.5168.3-146.600111.3T64 L70 Y71 D72T64-E68 PolarHBondContact O-N 2.87Å; E68-L70 PolarHBondContact O-N 3.02Å; E68-Y71 PolarHBondContact O-N 2.83Å; E68-D72 PolarHBondContact O-N 2.98Å
69H91.2Very high85.9Confident78 Ų7875.1 Ų75.136%0.36142%0.415SS..Hα-helixtrans-60.9-19.5177.367.3-78.5000114.1E26 R66 I67 R214E26-H69 IonicContact OE1-CD2 2.67Å; E26-H69 IonicContact OE1-CE1 3.62Å; E26-H69 PolarHBondContact OE1-CE1 3.45Å; E26-H69 VanDerWaalsContact OE1-CE1 3.25Å; E26-H69 IonicContact OE1-NE2 3.28Å; E26-H69 PolarHBondContact OE1-NE2 3.22Å; R66-H69 PolarHBondContact O-CE1 3.32Å; I67-H69 VanDerWaalsContact C-N 3.29Å; I67-H69 PolarHBondContact O-N 3.12Å; H69-R214 PolarHBondContact CE1-NH2 3.5Å
70L88.7Confident85.5Confident10 Ų1079.5 Ų79.55%0.05243%0.427CS..Hα-helixtrans-75.7-28.1175-57.3-179.7000111.9T25 E26 L29 I67 E68 I76T25-L70 HydrophobicContact CG2-CD1 3.54Å; E26-L70 HydrophobicContact CG-CD2 3.86Å; L29-L70 HydrophobicContact CD1-CD1 4.4Å; L29-L70 HydrophobicContact CD1-CD2 4.33Å; I67-L70 HydrophobicContact CB-CD1 4.08Å; I67-L70 HydrophobicContact CG2-CD1 4.2Å; I67-L70 WeakPolarHBondContact O-CB 3.49Å; I67-L70 PolarHBondContact O-N 3.3Å; I67-L70 VanDerWaalsContact O-N 3.1Å; E68-L70 PolarHBondContact O-N 3.02Å; L70-I76 HydrophobicContact CB-CD1 4.45Å; L70-I76 HydrophobicContact CD2-CD1 4.34Å; L70-I76 VanDerWaalsContact O-CB 3.29Å; L70-I76 WeakPolarHBondContact O-CB 3.5Å; L70-I76 WeakPolarHBondContact O-CG2 3.37Å
71Y82.3Confident85.4Confident63 Ų6374.5 Ų74.525%0.24739%0.392CS..Hα-helixtrans-85-24.2176.5-77.5-76000112.8E68 D73 H77 V82 L84E68-Y71 PolarHBondContact O-N 2.83Å; Y71-D73 PolarHBondContact O-N 2.98Å; Y71-H77 PolarHBondContact O-ND1 3.05Å; Y71-V82 HydrophobicContact CE2-CG1 4.44Å; Y71-V82 VanDerWaalsContact OH-CG1 3.29Å; Y71-V82 WeakPolarHBondContact OH-CG1 3.4Å; Y71-V82 PolarHBondContact OH-O 3.03Å; Y71-L84 HydrophobicContact CE2-CD1 3.88Å; Y71-L84 HydrophobicContact CE2-CG 4.15Å; Y71-L84 VanDerWaalsContact OH-CG 3.29Å; Y71-L84 WeakPolarHBondContact OH-CG 3.37Å
72D83.1Confident85.6Confident119 Ų11970.9 Ų70.964%0.63637%0.367SS*.SBendtrans-71.5-19.3173.7-64.8-26.3000112.4E68 P74E68-D72 PolarHBondContact O-N 2.98Å; D72-P74 VanDerWaalsContact O-CD 3.26Å; D72-P74 WeakPolarHBondContact O-CD 3.47Å
73D83.3Confident86.1Confident56 Ų5663 Ų6330%0.29934%0.336SS..SBendtrans-72.7114.3172.5-173.7-31.4000110.3Y71 I75 I76 H77Y71-D73 PolarHBondContact O-N 2.98Å; D73-I75 PolarHBondContact O-N 2.77Å; D73-I75 WeakPolarHBondContact OD1-CB 3.44Å; D73-I75 PolarHBondContact OD1-N 2.94Å; D73-I76 HydrophobicContact CB-CB 4.16Å; D73-I76 HydrophobicContact CB-CD1 3.91Å; D73-I76 HydrophobicContact CB-CG1 4.12Å; D73-I76 PolarHBondContact O-N 3.14Å; D73-H77 WeakPolarHBondContact O-CB 3.14Å; D73-H77 PolarHBondContact O-N 2.92Å
74P80.7Confident86.3Confident93 Ų9362.4 Ų62.460%0.60433%0.332SS*.Hα-helixtrans-59.4-31.3-178.1-23.434.4000113.5D72 T78D72-P74 VanDerWaalsContact O-CD 3.26Å; D72-P74 WeakPolarHBondContact O-CD 3.47Å; P74-T78 VanDerWaalsContact O-CB 3.32Å; P74-T78 WeakPolarHBondContact O-CB 3.34Å; P74-T78 VanDerWaalsContact O-CG2 3.25Å; P74-T78 WeakPolarHBondContact O-CG2 3.14Å; P74-T78 PolarHBondContact O-N 3.4Å; P74-T78 PolarHBondContact O-OG1 3.16Å
75I79.8Confident86.6Confident111 Ų11163.1 Ų63.157%0.56933%0.333SS*.Hα-helixtrans-68.7-49.1-179.5-60.1175.2000109.1D73 T78 S79D73-I75 PolarHBondContact O-N 2.77Å; D73-I75 WeakPolarHBondContact OD1-CB 3.44Å; D73-I75 PolarHBondContact OD1-N 2.94Å; I75-T78 PolarHBondContact O-OG1 2.94Å; I75-S79 VanDerWaalsContact O-CB 3.24Å; I75-S79 WeakPolarHBondContact O-CB 3.49Å; I75-S79 PolarHBondContact O-N 2.83Å; I75-S79 VanDerWaalsContact O-N 3.07Å; I75-S79 PolarHBondContact O-OG 3.44Å
76I77.6Confident86.8Confident6 Ų668.3 Ų68.33%0.03134%0.337CS..Hα-helixtrans-64.5-43.1178.4-64.1172.1000110.6L29 L70 D73 S79 K80 A81 V82L29-I76 HydrophobicContact CD1-CD1 3.87Å; L70-I76 HydrophobicContact CB-CD1 4.45Å; L70-I76 HydrophobicContact CD2-CD1 4.34Å; L70-I76 VanDerWaalsContact O-CB 3.29Å; L70-I76 WeakPolarHBondContact O-CB 3.5Å; L70-I76 WeakPolarHBondContact O-CG2 3.37Å; D73-I76 HydrophobicContact CB-CB 4.16Å; D73-I76 HydrophobicContact CB-CD1 3.91Å; D73-I76 HydrophobicContact CB-CG1 4.12Å; D73-I76 PolarHBondContact O-N 3.14Å; I76-S79 PolarHBondContact O-OG 2.78Å; I76-K80 PolarHBondContact O-N 3.07Å; I76-K80 VanDerWaalsContact O-N 3.12Å; I76-A81 HydrophobicContact CG2-CB 4.29Å; I76-A81 PolarHBondContact O-N 2.98Å; I76-V82 HydrophobicContact CG2-CB 4.3Å; I76-V82 HydrophobicContact CG2-CG2 3.84Å
77H76.2Confident86.8Confident113 Ų11364.8 Ų64.852%0.52333%0.327SS..Hα-helixtrans-63-49.8-179-168.285.8000112.3Y71 D73 K80Y71-H77 PolarHBondContact O-ND1 3.05Å; D73-H77 WeakPolarHBondContact O-CB 3.14Å; D73-H77 PolarHBondContact O-N 2.92Å; H77-K80 PolarHBondContact O-N 2.77Å
78T76Confident87Confident112 Ų11266.6 Ų66.669%0.68734%0.337SS*.Hα-helixtrans-71.6-37.5-176.654.20000112.7P74 I75 K80P74-T78 VanDerWaalsContact O-CB 3.32Å; P74-T78 WeakPolarHBondContact O-CB 3.34Å; P74-T78 VanDerWaalsContact O-CG2 3.25Å; P74-T78 WeakPolarHBondContact O-CG2 3.14Å; P74-T78 PolarHBondContact O-N 3.4Å; P74-T78 PolarHBondContact O-OG1 3.16Å; I75-T78 PolarHBondContact O-OG1 2.94Å; T78-K80 VanDerWaalsContact C-N 3.25Å; T78-K80 PolarHBondContact O-N 2.9Å
79S79Confident87.3Confident32 Ų3261.8 Ų61.822%0.22431%0.314CS..Hα-helixtrans-73.3-15176.461.80000114I75 I76 A81I75-S79 VanDerWaalsContact O-CB 3.24Å; I75-S79 WeakPolarHBondContact O-CB 3.49Å; I75-S79 PolarHBondContact O-N 2.83Å; I75-S79 VanDerWaalsContact O-N 3.07Å; I75-S79 PolarHBondContact O-OG 3.44Å; I76-S79 PolarHBondContact O-OG 2.78Å; S79-A81 PolarHBondContact O-N 3.04Å; S79-A81 WeakPolarHBondContact OG-CB 3.46Å; S79-A81 PolarHBondContact OG-N 3.04Å
80K82.7Confident87.6Confident144 Ų14460.5 Ų60.563%0.62631%0.314SS*.THydrogen-bonded Turntrans53.134.2-168.9-57-176.5179.8179.70112.5I76 H77 T78 V82I76-K80 PolarHBondContact O-N 3.07Å; I76-K80 VanDerWaalsContact O-N 3.12Å; H77-K80 PolarHBondContact O-N 2.77Å; T78-K80 VanDerWaalsContact C-N 3.25Å; T78-K80 PolarHBondContact O-N 2.9Å; K80-V82 PolarHBondContact O-N 3Å
81A87Confident88Confident0 Ų063.6 Ų63.60%033%0.331CS..  trans-59.1-27178.300000112.4L29 Q34 V52 I76 S79L29-A81 HydrophobicContact CD2-CB 3.78Å; Q34-A81 HydrophobicContact CB-CB 4.44Å; Q34-A81 HydrophobicContact CG-CB 4.44Å; V52-A81 PolarHBondContact N-O 3.25Å; I76-A81 HydrophobicContact CG2-CB 4.29Å; I76-A81 PolarHBondContact O-N 2.98Å; S79-A81 PolarHBondContact O-N 3.04Å; S79-A81 WeakPolarHBondContact OG-CB 3.46Å; S79-A81 PolarHBondContact OG-N 3.04Å
82V92.3Very high88.6Confident5 Ų563.4 Ų63.43%0.0334%0.338CS..EExtended strand (participates in β ladder)trans-117.3121.7170.2-169.60000110.7I16 T25 L29 V52 Y71 I76 K80 L84I16-V82 HydrophobicContact CD1-CG1 4.27Å; T25-V82 HydrophobicContact CG2-CG1 4.36Å; T25-V82 HydrophobicContact CG2-CG2 3.96Å; L29-V82 HydrophobicContact CD1-CG2 3.69Å; L29-V82 HydrophobicContact CD2-CG2 3.88Å; L29-V82 HydrophobicContact CG-CG2 4.24Å; V52-V82 CarbonylContact O-C 3.23Å; V52-V82 VanDerWaalsContact O-CA 3.26Å; V52-V82 WeakPolarHBondContact O-CA 3.4Å; Y71-V82 HydrophobicContact CE2-CG1 4.44Å; Y71-V82 VanDerWaalsContact OH-CG1 3.29Å; Y71-V82 WeakPolarHBondContact OH-CG1 3.4Å; Y71-V82 PolarHBondContact OH-O 3.03Å; I76-V82 HydrophobicContact CG2-CB 4.3Å; I76-V82 HydrophobicContact CG2-CG2 3.84Å; K80-V82 PolarHBondContact O-N 3Å; V82-L84 HydrophobicContact CG1-CD2 4.25Å
83T93.4Very high89.3Confident42 Ų4261.2 Ų61.226%0.25834%0.336SS..EExtended strand (participates in β ladder)trans-120.7123.3175.4-56.80000110.7V52 H53 G54 H85V52-T83 PolarHBondContact O-N 3.21Å; H53-T83 CarbonylContact C-O 3.49Å; H53-T83 VanDerWaalsContact CA-O 3.28Å; H53-T83 WeakPolarHBondContact CA-O 3.32Å; G54-T83 PolarHBondContact N-O 2.94Å; T83-H85 VanDerWaalsContact CG2-NE2 3.35Å; T83-H85 WeakPolarHBondContact CG2-NE2 3.5Å; T83-H85 PolarHBondContact O-CD2 2.9Å
84L94.9Very high89.9Confident46 Ų4660.1 Ų60.124%0.24133%0.332CS..EExtended strand (participates in β ladder)trans-92.7142.2176.5-52.6179.8000111.6I16 G54 I56 T64 I67 Y71 V82I16-L84 HydrophobicContact CD1-CD2 4.07Å; I16-L84 HydrophobicContact CG2-CD2 4.11Å; G54-L84 CarbonylContact O-C 3.55Å; G54-L84 WeakPolarHBondContact O-CA 3.3Å; I56-L84 HydrophobicContact CD1-CB 3.98Å; I56-L84 HydrophobicContact CD1-CD1 4.1Å; I56-L84 HydrophobicContact CG1-CB 4.21Å; I56-L84 HydrophobicContact CG2-CB 4.29Å; I56-L84 HydrophobicContact CG2-CD1 4.1Å; I56-L84 HydrophobicContact CG2-CD2 4.13Å; I56-L84 HydrophobicContact CG2-CG 4.37Å; T64-L84 HydrophobicContact CG2-CD1 4.11Å; I67-L84 HydrophobicContact CD1-CD1 4.08Å; I67-L84 HydrophobicContact CD1-CD2 4.01Å; Y71-L84 HydrophobicContact CE2-CD1 3.88Å; Y71-L84 HydrophobicContact CE2-CG 4.15Å; Y71-L84 VanDerWaalsContact OH-CG 3.29Å; Y71-L84 WeakPolarHBondContact OH-CG 3.37Å; V82-L84 HydrophobicContact CG1-CD2 4.25Å
85H96.5Very high90.7Very high45 Ų4555.8 Ų55.821%0.20830%0.304CS..EExtended strand (participates in β ladder)trans-126.8133.3179-59.3-88.9000108.9H53 G54 V55 I56 T83 G87 L98H53-H85 AromaticContact CE1-NE2 3.82Å; H53-H85 AromaticContact CG-NE2 3.81Å; H53-H85 AromaticContact ND1-CD2 3.77Å; H53-H85 AromaticContact ND1-CE1 3.76Å; H53-H85 AromaticContact ND1-NE2 2.92Å; H53-H85 PolarHBondContact ND1-NE2 3.05Å; G54-H85 PolarHBondContact O-N 3.22Å; V55-H85 WeakPolarHBondContact CA-O 3.17Å; I56-H85 WeakPolarHBondContact CG1-O 3.25Å; I56-H85 PolarHBondContact N-O 3.31Å; T83-H85 VanDerWaalsContact CG2-NE2 3.35Å; T83-H85 WeakPolarHBondContact CG2-NE2 3.5Å; T83-H85 PolarHBondContact O-CD2 2.9Å; H85-G87 PolarHBondContact O-N 3.24Å; H85-L98 HydrophobicContact CB-CD1 3.64Å; H85-L98 HydrophobicContact CB-CD2 4.02Å; H85-L98 WeakPolarHBondContact ND1-CD1 3.38Å
86Y96.7Very high91.5Very high165 Ų16552.3 Ų52.365%0.64729%0.288SS*.EExtended strand (participates in β ladder)trans-69.2131.7169.4-71.5-63.9000110I56 R58 C94I56-Y86 HydrophobicContact CD1-CD1 4.03Å; I56-Y86 HydrophobicContact CD1-CE1 3.69Å; I56-Y86 HydrophobicContact CG1-CD1 3.87Å; I56-Y86 HydrophobicContact CG1-CE1 4.05Å; I56-Y86 WeakPolarHBondContact O-CA 3.37Å; R58-Y86 HydrophobicContact CB-CD1 4.1Å; R58-Y86 HydrophobicContact CB-CE1 4.28Å; Y86-C94 PolarHBondContact O-SG 3.41Å
87G96.5Very high92.5Very high10 Ų1057.3 Ų57.310%0.10332%0.315CS..  trans-173.8165174.200000112.3I56 H85 C94I56-G87 PolarHBondContact O-N 3.01Å; H85-G87 PolarHBondContact O-N 3.24Å; G87-C94 VanDerWaalsContact CA-SG 3.51Å
88D97.5Very high93.5Very high39 Ų3952.5 Ų52.521%0.20929%0.293CS..  trans-137147.5176.8-163-77.7000109.7R57 S90 D91R57-D88 WeakPolarHBondContact CD-OD2 3.13Å; D88-S90 PolarHBondContact O-N 2.78Å; D88-S90 WeakPolarHBondContact OD1-CB 3.47Å; D88-S90 PolarHBondContact OD1-N 3.25Å; D88-S90 PolarHBondContact OD1-OG 2.71Å; D88-D91 PolarHBondContact O-N 2.97Å; D88-D91 VanDerWaalsContact O-N 3.16Å
89L97.8Very high94.5Very high9 Ų947.2 Ų47.25%0.04726%0.261CS..THydrogen-bonded Turntrans-69.8-13.9178.9-73.9-172.8000113.2T14 L95 A111 I129 G133 R136 L137T14-L89 HydrophobicContact CG2-CD2 4.32Å; L89-L95 HydrophobicContact CD2-CD1 4.3Å; L89-L95 HydrophobicContact CD2-CD2 4.39Å; L89-A111 HydrophobicContact CD1-CB 3.52Å; L89-A111 WeakPolarHBondContact CD1-O 3.43Å; L89-A111 HydrophobicContact CG-CB 3.97Å; L89-I129 HydrophobicContact CB-CD1 4.25Å; L89-I129 HydrophobicContact CB-CG2 4.17Å; L89-I129 HydrophobicContact CD1-CG2 3.93Å; L89-G133 WeakPolarHBondContact O-CA 3.32Å; L89-R136 WeakPolarHBondContact O-CD 3.44Å; L89-R136 PolarHBondContact O-NH1 3.07Å; L89-L137 HydrophobicContact CD2-CD1 3.79Å; L89-L137 HydrophobicContact CD2-CG 4.11Å
90S97.4Very high95.4Very high50 Ų5048.5 Ų48.535%0.3527%0.27SS..THydrogen-bonded Turntrans-80.9-17.8172.756.80000113.5D88 D128 R136D88-S90 PolarHBondContact O-N 2.78Å; D88-S90 WeakPolarHBondContact OD1-CB 3.47Å; D88-S90 PolarHBondContact OD1-N 3.25Å; D88-S90 PolarHBondContact OD1-OG 2.71Å; S90-D128 WeakPolarHBondContact CB-OD2 3.45Å; S90-R136 PolarHBondContact O-NE 3.46Å
91D97.3Very high95.9Very high76 Ų7646.5 Ų46.541%0.40627%0.27SS..  trans-101.397.5-174.7-172.8-19.4000112.4D88 A93 C94 L95D88-D91 PolarHBondContact O-N 2.97Å; D88-D91 VanDerWaalsContact O-N 3.16Å; D91-A93 VanDerWaalsContact C-N 3.35Å; D91-A93 PolarHBondContact O-N 3.48Å; D91-A93 PolarHBondContact OD1-N 2.96Å; D91-C94 HydrophobicContact CB-CB 3.88Å; D91-C94 PolarHBondContact O-N 3.36Å; D91-C94 PolarHBondContact OD1-N 3.43Å; D91-C94 WeakPolarHBondContact OD2-CB 3.46Å; D91-L95 VanDerWaalsContact O-CG 3.3Å; D91-L95 WeakPolarHBondContact O-CG 3.19Å; D91-L95 PolarHBondContact O-N 2.77Å; D91-L95 VanDerWaalsContact O-N 3.12Å
92C95.4Very high96.3Very high58 Ų5846.9 Ų46.939%0.39227%0.272SS..Hα-helixtrans-61.9-37.6-180-169.70000113.6T96 R136C92-T96 WeakPolarHBondContact O-CB 3.5Å; C92-T96 PolarHBondContact O-N 2.93Å; C92-T96 PolarHBondContact O-OG1 2.86Å; C92-R136 HydrophobicContact CB-CG 4.33Å
93A96.6Very high96.4Very high73 Ų7351.8 Ų51.860%0.60329%0.29SS*.Hα-helixtrans-70.4-43.2-177.200000110.7D91 T96 N97D91-A93 VanDerWaalsContact C-N 3.35Å; D91-A93 PolarHBondContact O-N 3.48Å; D91-A93 PolarHBondContact OD1-N 2.96Å; A93-T96 PolarHBondContact O-N 3.32Å; A93-N97 WeakPolarHBondContact O-CB 3.42Å; A93-N97 PolarHBondContact O-N 3.43Å
94C96.5Very high96.5Very high33 Ų3350 Ų5022%0.22328%0.279CS..Hα-helixtrans-59.1-49.2174.5-1790000111.5Y86 G87 D91 T96 N97 L98Y86-C94 PolarHBondContact O-SG 3.41Å; G87-C94 VanDerWaalsContact CA-SG 3.51Å; D91-C94 HydrophobicContact CB-CB 3.88Å; D91-C94 PolarHBondContact O-N 3.36Å; D91-C94 PolarHBondContact OD1-N 3.43Å; D91-C94 WeakPolarHBondContact OD2-CB 3.46Å; C94-T96 PolarHBondContact O-N 3.32Å; C94-N97 PolarHBondContact O-N 3.09Å; C94-L98 WeakPolarHBondContact O-CB 3.22Å; C94-L98 PolarHBondContact O-N 3.38Å
95L97.6Very high96.6Very high2 Ų249.6 Ų49.61%0.0128%0.28CS..Hα-helixtrans-61.6-44.1179.1-67.2177.7000112.3L89 D91 L98 I99 R136 L137L89-L95 HydrophobicContact CD2-CD1 4.3Å; L89-L95 HydrophobicContact CD2-CD2 4.39Å; D91-L95 VanDerWaalsContact O-CG 3.3Å; D91-L95 WeakPolarHBondContact O-CG 3.19Å; D91-L95 PolarHBondContact O-N 2.77Å; D91-L95 VanDerWaalsContact O-N 3.12Å; L95-L98 PolarHBondContact O-N 3.21Å; L95-I99 WeakPolarHBondContact O-CB 3.26Å; L95-I99 WeakPolarHBondContact O-CG1 3.37Å; L95-I99 PolarHBondContact O-N 2.86Å; L95-R136 HydrophobicContact CD1-CB 3.92Å; L95-L137 HydrophobicContact CD1-CD2 4.16Å; L95-L137 HydrophobicContact CD1-CG 4.24Å; L95-L137 HydrophobicContact CD2-CD2 3.96Å; L95-L137 HydrophobicContact CG-CD2 4.47Å
96T97.6Very high96.6Very high39 Ų3948.1 Ų48.124%0.23927%0.273CS..Hα-helixtrans-64-45.1179-55.40000111.3C92 A93 C94 L98 I99 S100 A143C92-T96 WeakPolarHBondContact O-CB 3.5Å; C92-T96 PolarHBondContact O-N 2.93Å; C92-T96 PolarHBondContact O-OG1 2.86Å; A93-T96 PolarHBondContact O-N 3.32Å; C94-T96 PolarHBondContact O-N 3.32Å; T96-L98 VanDerWaalsContact C-N 3.33Å; T96-L98 PolarHBondContact O-N 3.49Å; T96-I99 PolarHBondContact O-N 3.49Å; T96-S100 VanDerWaalsContact O-CB 3.23Å; T96-S100 WeakPolarHBondContact O-CB 3.45Å; T96-S100 PolarHBondContact O-N 3.03Å; T96-A143 HydrophobicContact CG2-CB 4.42Å
97N97.6Very high96.7Very high111 Ų11140.2 Ų40.259%0.59424%0.242SC*.Hα-helixtrans-63.1-41.3176.9-17446000111.9A93 C94 S100 T101A93-N97 WeakPolarHBondContact O-CB 3.42Å; A93-N97 PolarHBondContact O-N 3.43Å; C94-N97 PolarHBondContact O-N 3.09Å; N97-S100 PolarHBondContact O-N 3.27Å; N97-T101 WeakPolarHBondContact O-CB 3.42Å; N97-T101 PolarHBondContact O-N 3.47Å; N97-T101 PolarHBondContact O-OG1 2.9Å
98L97.1Very high96.8Very high12 Ų1239.8 Ų39.86%0.06324%0.237CC..Hα-helixtrans-63.7-49.2177.9179.460.8000111.6L12 V55 H85 C94 L95 T96 S100 T101 V102L12-L98 HydrophobicContact CD1-CD2 4.07Å; L12-L98 HydrophobicContact CD1-CG 4.47Å; V55-L98 HydrophobicContact CG2-CD2 3.6Å; H85-L98 HydrophobicContact CB-CD1 3.64Å; H85-L98 HydrophobicContact CB-CD2 4.02Å; H85-L98 WeakPolarHBondContact ND1-CD1 3.38Å; C94-L98 WeakPolarHBondContact O-CB 3.22Å; C94-L98 PolarHBondContact O-N 3.38Å; L95-L98 PolarHBondContact O-N 3.21Å; T96-L98 VanDerWaalsContact C-N 3.33Å; T96-L98 PolarHBondContact O-N 3.49Å; L98-S100 VanDerWaalsContact C-N 3.32Å; L98-S100 PolarHBondContact O-N 2.83Å; L98-T101 PolarHBondContact O-N 3.28Å; L98-V102 HydrophobicContact CD1-CG2 3.63Å; L98-V102 HydrophobicContact CG-CG2 4.32Å; L98-V102 WeakPolarHBondContact O-CB 3.33Å; L98-V102 WeakPolarHBondContact O-CG2 3.24Å; L98-V102 PolarHBondContact O-N 3.41Å
99I97.4Very high96.9Very high1 Ų137.9 Ų37.91%0.00523%0.227CC..Hα-helixtrans-62.7-41.2178.3-73.7168000110.8L12 L95 T96 T101 R103 I107 L137 A140 I141 C144 L146L12-I99 HydrophobicContact CD2-CG1 3.91Å; L95-I99 WeakPolarHBondContact O-CB 3.26Å; L95-I99 WeakPolarHBondContact O-CG1 3.37Å; L95-I99 PolarHBondContact O-N 2.86Å; T96-I99 PolarHBondContact O-N 3.49Å; I99-T101 VanDerWaalsContact C-N 3.31Å; I99-T101 PolarHBondContact O-N 3.17Å; I99-R103 WeakPolarHBondContact O-CA 3.48Å; I99-R103 PolarHBondContact O-N 2.85Å; I99-I107 HydrophobicContact CD1-CD1 4.41Å; I99-L137 HydrophobicContact CD1-CD2 3.9Å; I99-A140 HydrophobicContact CD1-CB 3.55Å; I99-I141 HydrophobicContact CD1-CG1 4.44Å; I99-C144 HydrophobicContact CG2-CB 4.13Å; I99-L146 HydrophobicContact CG2-CD1 3.34Å
100S96.7Very high96.9Very high59 Ų5938.6 Ų38.641%0.41323%0.231SC..Hα-helixtrans-59.8-40.6175.1-173.80000112.5T96 N97 L98 R103T96-S100 VanDerWaalsContact O-CB 3.23Å; T96-S100 WeakPolarHBondContact O-CB 3.45Å; T96-S100 PolarHBondContact O-N 3.03Å; N97-S100 PolarHBondContact O-N 3.27Å; L98-S100 VanDerWaalsContact C-N 3.32Å; L98-S100 PolarHBondContact O-N 2.83Å; S100-R103 WeakPolarHBondContact O-CG 3.32Å
101T95.2Very high97Very high102 Ų10237.1 Ų37.163%0.62622%0.222SC*.Hα-helixtrans-76.7-47.1-178.2-57.90000112.2N97 L98 I99N97-T101 WeakPolarHBondContact O-CB 3.42Å; N97-T101 PolarHBondContact O-N 3.47Å; N97-T101 PolarHBondContact O-OG1 2.9Å; L98-T101 PolarHBondContact O-N 3.28Å; I99-T101 VanDerWaalsContact C-N 3.31Å; I99-T101 PolarHBondContact O-N 3.17Å
102V95Very high97Very high7 Ų735.1 Ų35.14%0.04222%0.216CC..Hα-helixtrans-75.2-36.6-176.1175.10000111.2R8 V10 H53 L98 P104R8-V102 PolarHBondContact NH2-O 2.71Å; V10-V102 HydrophobicContact CG1-CG1 3.74Å; H53-V102 HydrophobicContact CB-CG1 4.1Å; H53-V102 HydrophobicContact CB-CG2 4.45Å; H53-V102 WeakPolarHBondContact ND1-CG2 3.37Å; L98-V102 HydrophobicContact CD1-CG2 3.63Å; L98-V102 HydrophobicContact CG-CG2 4.32Å; L98-V102 WeakPolarHBondContact O-CB 3.33Å; L98-V102 WeakPolarHBondContact O-CG2 3.24Å; L98-V102 PolarHBondContact O-N 3.41Å; V102-P104 HydrophobicContact CG1-CB 4.2Å
103R94.7Very high97.1Very high108 Ų10833.5 Ų33.541%0.40820%0.203SC..  trans43.961.1-171.4-58.1-168.765.682.4-2111.6R8 I99 S100 C144 L146R8-R103 PolarHBondContact NH1-O 2.71Å; I99-R103 WeakPolarHBondContact O-CA 3.48Å; I99-R103 PolarHBondContact O-N 2.85Å; S100-R103 WeakPolarHBondContact O-CG 3.32Å; R103-C144 PolarHBondContact NH1-O 2.77Å; R103-L146 HydrophobicContact CB-CD2 4.14Å; R103-L146 HydrophobicContact CG-CD2 4.31Å; R103-L146 VanDerWaalsContact NH2-CD2 3.32Å
104P95.6Very high97Very high5 Ų532.7 Ų32.73%0.03219%0.192CC..  trans-65.7153.9-175.229.8-36000111.9L12 V102 I107 V149L12-P104 HydrophobicContact CB-CB 3.86Å; L12-P104 HydrophobicContact CB-CG 4.01Å; L12-P104 HydrophobicContact CD2-CG 4.34Å; V102-P104 HydrophobicContact CG1-CB 4.2Å; P104-I107 HydrophobicContact CB-CG1 4.07Å; P104-I107 HydrophobicContact CG-CD1 3.7Å; P104-I107 HydrophobicContact CG-CG1 3.5Å; P104-I107 VanDerWaalsContact CG-CG1 3.5Å; P104-V149 HydrophobicContact CG-CG2 4.44Å; P104-V149 WeakPolarHBondContact O-CG2 3.34Å
105C95.3Very high97.1Very high38 Ų3832.7 Ų32.726%0.25719%0.189SC..SBendtrans-88.2-32.5170.1-55.40000111R8 V10 K150R8-C105 PolarHBondContact O-SG 3.38Å; V10-C105 PolarHBondContact O-N 2.95Å; C105-K150 PolarHBondContact O-N 3.48Å
106E97.6Very high97.1Very high13 Ų1333 Ų336%0.06119%0.191CC..EExtended strand (participates in β ladder)trans-130.4135.4177.7-65.9174.2175.900109.6V10 A11 L12 Y33 Y108 K150 L264 Q265V10-E106 PolarHBondContact O-N 2.82Å; A11-E106 CarbonylContact C-O 3.38Å; A11-E106 VanDerWaalsContact CA-O 3.29Å; A11-E106 WeakPolarHBondContact CA-O 3.49Å; L12-E106 PolarHBondContact N-O 3.01Å; Y33-E106 PolarHBondContact OH-OE1 3.14Å; Y33-E106 VanDerWaalsContact OH-OE1 3.09Å; Y33-E106 PolarHBondContact OH-OE2 3.26Å; E106-Y108 HydrophobicContact CB-CD2 4.45Å; E106-Y108 HydrophobicContact CB-CE2 3.69Å; E106-Y108 PolarHBondContact OE2-OH 2.97Å; E106-K150 CarbonylContact C-O 3.52Å; E106-K150 VanDerWaalsContact CA-O 3.31Å; E106-K150 WeakPolarHBondContact CA-O 3.03Å; E106-K150 HydrophobicContact CG-CB 4.47Å; E106-L264 HydrophobicContact CB-CD1 3.94Å; E106-L264 HydrophobicContact CG-CD1 4.02Å; E106-Q265 PolarHBondContact OE1-NE2 3.42Å
107I98.6Very high97Very high0 Ų033.6 Ų33.60%019%0.19CC..EExtended strand (participates in β ladder)trans-120.7126.1173.2-63.8169.8000108.4L12 I99 P104 I141 V149 K150 F151 Y152L12-I107 HydrophobicContact CB-CG1 4.18Å; L12-I107 HydrophobicContact CD2-CG1 4.44Å; L12-I107 CarbonylContact O-C 3.58Å; L12-I107 WeakPolarHBondContact O-CA 3.39Å; I99-I107 HydrophobicContact CD1-CD1 4.41Å; P104-I107 HydrophobicContact CB-CG1 4.07Å; P104-I107 HydrophobicContact CG-CD1 3.7Å; P104-I107 HydrophobicContact CG-CG1 3.5Å; P104-I107 VanDerWaalsContact CG-CG1 3.5Å; I107-I141 HydrophobicContact CD1-CD1 3.54Å; I107-I141 HydrophobicContact CD1-CG1 3.6Å; I107-V149 HydrophobicContact CD1-CG2 3.8Å; I107-V149 HydrophobicContact CG1-CG2 3.86Å; I107-K150 PolarHBondContact N-O 3.11Å; I107-F151 HydrophobicContact CB-CD2 3.87Å; I107-F151 HydrophobicContact CB-CE2 4.43Å; I107-F151 HydrophobicContact CG2-CD2 3.72Å; I107-F151 HydrophobicContact CG2-CE2 3.75Å; I107-Y152 PolarHBondContact O-N 3.18Å
108Y98.8Very high97Very high0 Ų030.9 Ų30.90%018%0.178CC..EExtended strand (participates in β ladder)trans-111.8105.4175.2-59.5-96.1000109.1A11 L12 V13 T14 L24 L28 E106 L110 Y152 M260 L264A11-Y108 HydrophobicContact CB-CD2 4.41Å; A11-Y108 HydrophobicContact CB-CE2 4.1Å; L12-Y108 PolarHBondContact O-N 3.31Å; V13-Y108 HydrophobicContact CG2-CD2 4.19Å; T14-Y108 PolarHBondContact N-O 2.88Å; L24-Y108 HydrophobicContact CD1-CD1 4.5Å; L24-Y108 HydrophobicContact CD1-CE1 4.29Å; L24-Y108 HydrophobicContact CD2-CD1 3.57Å; L24-Y108 HydrophobicContact CD2-CD2 3.98Å; L24-Y108 HydrophobicContact CD2-CE1 4.13Å; L24-Y108 HydrophobicContact CD2-CG 3.48Å; L24-Y108 VanDerWaalsContact CD2-CG 3.48Å; L28-Y108 HydrophobicContact CD1-CD2 4.44Å; L28-Y108 HydrophobicContact CD1-CE2 3.97Å; E106-Y108 HydrophobicContact CB-CD2 4.45Å; E106-Y108 HydrophobicContact CB-CE2 3.69Å; E106-Y108 PolarHBondContact OE2-OH 2.97Å; Y108-L110 PolarHBondContact O-N 3.2Å; Y108-Y152 HydrophobicContact CD1-CD1 4.06Å; Y108-Y152 HydrophobicContact CD1-CG 4.05Å; Y108-M260 HydrophobicContact CD1-CB 4.39Å; Y108-M260 HydrophobicContact CE1-CB 4.35Å; Y108-L264 HydrophobicContact CD1-CD1 4.21Å; Y108-L264 HydrophobicContact CE1-CD1 3.6Å; Y108-L264 HydrophobicContact CE1-CG 4.2Å; Y108-L264 HydrophobicContact CE2-CD1 4.12Å
109N98.9Very high97.1Very high0 Ų030.3 Ų30.30%018%0.175CC..EExtended strand (participates in β ladder)trans-85.785.6179.2-173.232.6000111.4T14 T134 L137 F151 Y152 Q153 A154T14-N109 VanDerWaalsContact OG1-CA 3.3Å; T14-N109 WeakPolarHBondContact OG1-CA 3.36Å; T14-N109 PolarHBondContact OG1-OD1 3.44Å; N109-T134 PolarHBondContact ND2-OG1 2.96Å; N109-L137 HydrophobicContact CB-CD1 3.85Å; N109-L137 WeakPolarHBondContact OD1-CD1 3.37Å; N109-F151 HydrophobicContact CB-CE1 4.41Å; N109-F151 HydrophobicContact CB-CE2 4.08Å; N109-F151 HydrophobicContact CB-CZ 3.63Å; N109-Y152 PolarHBondContact N-O 3.19Å; N109-Q153 PolarHBondContact ND2-OE1 2.87Å; N109-A154 VanDerWaalsContact O-CB 3.3Å; N109-A154 WeakPolarHBondContact O-CB 3.36Å; N109-A154 PolarHBondContact O-N 3.48Å
110L98.8Very high97.2Very high23 Ų2332.6 Ų32.612%0.1219%0.185CC..  trans-103.8-11.4-179.4-41.9-179.4000113V13 T14 D20 L24 Y108 A112 Y152 A154 M260V13-L110 HydrophobicContact CG1-CD1 3.96Å; V13-L110 HydrophobicContact CG1-CG 4.41Å; T14-L110 CarbonylContact O-C 3.58Å; T14-L110 VanDerWaalsContact O-CB 3.28Å; T14-L110 WeakPolarHBondContact O-CB 3.41Å; T14-L110 PolarHBondContact O-N 3.32Å; T14-L110 PolarHBondContact OG1-N 3.46Å; T14-L110 VanDerWaalsContact OG1-N 3.09Å; D20-L110 HydrophobicContact CB-CD1 4.23Å; L24-L110 HydrophobicContact CD2-CD1 3.8Å; Y108-L110 PolarHBondContact O-N 3.2Å; L110-A112 PolarHBondContact O-N 2.78Å; L110-Y152 HydrophobicContact CD2-CD1 3.86Å; L110-Y152 HydrophobicContact CD2-CE1 3.58Å; L110-A154 HydrophobicContact CD2-CB 3.92Å; L110-M260 HydrophobicContact CD1-SD 4.41Å; L110-M260 HydrophobicContact CD2-CE 4.44Å; L110-M260 HydrophobicContact CD2-SD 3.84Å
111A97.9Very high97.2Very high20 Ų2035.2 Ų35.217%0.16519%0.194CC..  trans-66.1132.8175.600000111.4T14 L89T14-A111 PolarHBondContact O-N 2.87Å; T14-A111 WeakPolarHBondContact OG1-CB 3.41Å; T14-A111 PolarHBondContact OG1-N 3.23Å; L89-A111 HydrophobicContact CD1-CB 3.52Å; L89-A111 WeakPolarHBondContact CD1-O 3.43Å; L89-A111 HydrophobicContact CG-CB 3.97Å
112A97.7Very high97.4Very high34 Ų3433.8 Ų33.828%0.28118%0.181SC..  trans-162.6157175.600000110.7L110 S114 N130L110-A112 PolarHBondContact O-N 2.78Å; A112-S114 PolarHBondContact O-N 3.36Å; A112-N130 WeakPolarHBondContact CA-OD1 3.43Å; A112-N130 VanDerWaalsContact CB-OD1 3.27Å; A112-N130 WeakPolarHBondContact CB-OD1 3.41Å
113Q98.1Very high97.5Very high24 Ų2436 Ų3611%0.11220%0.196CC..  trans-7598.9149-164.5-63.491.700106.5H115 I122 Y125 T126 N130 Y180Q113-H115 PolarHBondContact NE2-O 3.22Å; Q113-H115 PolarHBondContact OE1-O 2.83Å; Q113-I122 HydrophobicContact CG-CD1 4.17Å; Q113-Y125 HydrophobicContact CB-CD1 4.29Å; Q113-Y125 HydrophobicContact CB-CE1 4.07Å; Q113-Y125 HydrophobicContact CG-CD1 4.08Å; Q113-Y125 HydrophobicContact CG-CE1 4.05Å; Q113-T126 HydrophobicContact CB-CG2 4.4Å; Q113-T126 PolarHBondContact NE2-OG1 3.08Å; Q113-N130 PolarHBondContact N-OD1 3.19Å; Q113-N130 PolarHBondContact O-ND2 2.96Å; Q113-Y180 VanDerWaalsContact O-CD2 3.29Å; Q113-Y180 WeakPolarHBondContact O-CD2 3.08Å
114S95.2Very high97.7Very high55 Ų5539 Ų3939%0.38522%0.215SC..  trans-96.7-2.3-166.758.80000115.6A112A112-S114 PolarHBondContact O-N 3.36Å
115H97.2Very high97.9Very high34 Ų3442.7 Ų42.716%0.15723%0.229CC..  trans-92.8107.4-176.3-163.4-77.8000111.6Q113 K117 V118 S119 T218Q113-H115 PolarHBondContact NE2-O 3.22Å; Q113-H115 PolarHBondContact OE1-O 2.83Å; H115-K117 PolarHBondContact O-N 3.46Å; H115-V118 HydrophobicContact CB-CB 4.06Å; H115-V118 HydrophobicContact CB-CG2 4.08Å; H115-V118 WeakPolarHBondContact ND1-CG2 3.46Å; H115-V118 PolarHBondContact ND1-N 2.81Å; H115-V118 PolarHBondContact O-N 3.18Å; H115-V118 VanDerWaalsContact O-N 3.1Å; H115-S119 PolarHBondContact O-N 3.22Å; H115-S119 VanDerWaalsContact O-N 3.08Å; H115-T218 PolarHBondContact CD2-OG1 3.33Å; H115-T218 PolarHBondContact NE2-O 3.5Å
116V97.7Very high98Very high8 Ų840.9 Ų40.95%0.04822%0.217CC..Hα-helixtrans-58.8-44.7-173.6-178.10000112.8V118 S119 F120 E158 S178 Y180 R326V116-V118 VanDerWaalsContact C-N 3.28Å; V116-V118 PolarHBondContact O-N 3.46Å; V116-S119 WeakPolarHBondContact O-CB 3.39Å; V116-S119 PolarHBondContact O-N 3.05Å; V116-S119 VanDerWaalsContact O-N 3.16Å; V116-S119 PolarHBondContact O-OG 2.95Å; V116-F120 HydrophobicContact CG1-CE2 4.31Å; V116-F120 WeakPolarHBondContact O-CD2 3.34Å; V116-E158 HydrophobicContact CG2-CG 4.26Å; V116-S178 WeakPolarHBondContact CG1-OG 3.44Å; V116-Y180 HydrophobicContact CG2-CD1 3.76Å; V116-Y180 HydrophobicContact CG2-CE1 4.26Å; V116-Y180 HydrophobicContact CG2-CG 4.12Å; V116-R326 VanDerWaalsContact CB-CZ 3.5Å
117K97Very high98.1Very high52 Ų5242.5 Ų42.523%0.22623%0.229CC..Hα-helixtrans-61.9-37.2178.8176.963.1177.4119.20112.3H115 S119 F120 F325 R326H115-K117 PolarHBondContact O-N 3.46Å; K117-S119 VanDerWaalsContact C-N 3.28Å; K117-S119 PolarHBondContact O-N 3.08Å; K117-F120 PolarHBondContact O-N 2.91Å; K117-F325 WeakPolarHBondContact CE-O 3.34Å; K117-R326 HydrophobicContact CB-CG 4.49Å; K117-R326 HydrophobicContact CD-CG 4.2Å
118V97.6Very high98.1Very high54 Ų5444.7 Ų44.733%0.32724%0.241SC..Hα-helixtrans-72.2-28.5-179169.90000110.1H115 V116 F120 D121 I122H115-V118 HydrophobicContact CB-CB 4.06Å; H115-V118 HydrophobicContact CB-CG2 4.08Å; H115-V118 WeakPolarHBondContact ND1-CG2 3.46Å; H115-V118 PolarHBondContact ND1-N 2.81Å; H115-V118 PolarHBondContact O-N 3.18Å; H115-V118 VanDerWaalsContact O-N 3.1Å; V116-V118 VanDerWaalsContact C-N 3.28Å; V116-V118 PolarHBondContact O-N 3.46Å; V118-F120 PolarHBondContact O-N 3.27Å; V118-F120 VanDerWaalsContact O-N 3.16Å; V118-D121 PolarHBondContact O-N 2.94Å; V118-I122 HydrophobicContact CG1-CD1 3.57Å; V118-I122 HydrophobicContact CG1-CG1 3.6Å; V118-I122 VanDerWaalsContact O-CG1 3.28Å; V118-I122 WeakPolarHBondContact O-CG1 3.36Å; V118-I122 PolarHBondContact O-N 3.4Å
119S98.6Very high98.1Very high0 Ų045 Ų450%024%0.243CC..Hα-helixtrans-61.2-23.7176.977.20000114.3H115 V116 K117 D121 P123 P179 Y180H115-S119 PolarHBondContact O-N 3.22Å; H115-S119 VanDerWaalsContact O-N 3.08Å; V116-S119 WeakPolarHBondContact O-CB 3.39Å; V116-S119 PolarHBondContact O-N 3.05Å; V116-S119 VanDerWaalsContact O-N 3.16Å; V116-S119 PolarHBondContact O-OG 2.95Å; K117-S119 VanDerWaalsContact C-N 3.28Å; K117-S119 PolarHBondContact O-N 3.08Å; S119-D121 VanDerWaalsContact C-N 3.34Å; S119-P123 WeakPolarHBondContact O-CA 3.43Å; S119-P123 WeakPolarHBondContact O-CB 3.5Å; S119-P179 WeakPolarHBondContact O-CB 3.38Å; S119-P179 WeakPolarHBondContact O-CG 3.3Å; S119-Y180 WeakPolarHBondContact OG-CB 3.42Å; S119-Y180 PolarHBondContact OG-N 3.1Å; S119-Y180 VanDerWaalsContact OG-N 3.16Å
120F98.3Very high98.1Very high49 Ų4945.1 Ų45.122%0.21524%0.243CC..THydrogen-bonded Turntrans-72-29.9172.9-70.1-85.1000112.5V116 K117 V118 R177 P179 R326 P327 A328V116-F120 HydrophobicContact CG1-CE2 4.31Å; V116-F120 WeakPolarHBondContact O-CD2 3.34Å; K117-F120 PolarHBondContact O-N 2.91Å; V118-F120 PolarHBondContact O-N 3.27Å; V118-F120 VanDerWaalsContact O-N 3.16Å; F120-R177 WeakPolarHBondContact CZ-O 3.42Å; F120-P179 HydrophobicContact CD1-CG 4.36Å; F120-R326 HydrophobicContact CE2-CB 4.17Å; F120-R326 HydrophobicContact CE2-CG 4.46Å; F120-P327 HydrophobicContact CB-CG 4.37Å; F120-P327 HydrophobicContact CD1-CB 4.1Å; F120-P327 HydrophobicContact CD1-CG 3.68Å; F120-P327 HydrophobicContact CD2-CG 4.45Å; F120-P327 HydrophobicContact CE1-CB 3.98Å; F120-P327 HydrophobicContact CE1-CG 3.98Å; F120-P327 HydrophobicContact CG-CG 3.92Å; F120-P327 HydrophobicContact CZ-CG 4.48Å; F120-A328 HydrophobicContact CZ-CB 4.49Å
121D98.1Very high98.1Very high114 Ų11444.3 Ų44.361%0.6124%0.24SC*.THydrogen-bonded Turntrans-88-30-178.7-55-42.4000111.6V118 S119 P123V118-D121 PolarHBondContact O-N 2.94Å; S119-D121 VanDerWaalsContact C-N 3.34Å; D121-P123 VanDerWaalsContact C-CD 3.44Å
122I98.3Very high98.1Very high71 Ų7146.8 Ų46.836%0.36425%0.25SC..SBendtrans-128.559.6178.455.6166.7000112.9Q113 V118 E124 Y125 T126Q113-I122 HydrophobicContact CG-CD1 4.17Å; V118-I122 HydrophobicContact CG1-CD1 3.57Å; V118-I122 HydrophobicContact CG1-CG1 3.6Å; V118-I122 VanDerWaalsContact O-CG1 3.28Å; V118-I122 WeakPolarHBondContact O-CG1 3.36Å; V118-I122 PolarHBondContact O-N 3.4Å; I122-E124 PolarHBondContact O-N 3.36Å; I122-Y125 HydrophobicContact CD1-CD1 3.9Å; I122-T126 WeakPolarHBondContact O-CB 3.33Å; I122-T126 PolarHBondContact O-N 3.17Å; I122-T126 PolarHBondContact O-OG1 2.66Å
123P98.6Very high98.2Very high54 Ų5445.2 Ų45.235%0.35124%0.237SC..Hα-helixtrans-65.7-36.6-173.625.9-34.9000113.5S119 D121 T126 S127 P179S119-P123 WeakPolarHBondContact O-CA 3.43Å; S119-P123 WeakPolarHBondContact O-CB 3.5Å; D121-P123 VanDerWaalsContact C-CD 3.44Å; P123-T126 PolarHBondContact O-N 3.48Å; P123-S127 WeakPolarHBondContact O-CB 3.36Å; P123-S127 PolarHBondContact O-N 3.12Å; P123-S127 PolarHBondContact O-OG 2.98Å; P123-P179 HydrophobicContact CB-CB 3.79Å; P123-P179 HydrophobicContact CB-CG 3.97Å
124E98.7Very high98.2Very high170 Ų17044.1 Ų44.179%0.79423%0.232SC*.Hα-helixtrans-64-52.3179.5-68.3179.2-168.900111.3I122 T126 S127 D128I122-E124 PolarHBondContact O-N 3.36Å; E124-T126 VanDerWaalsContact C-N 3.3Å; E124-T126 PolarHBondContact O-N 2.95Å; E124-S127 PolarHBondContact O-N 2.91Å; E124-S127 VanDerWaalsContact O-N 3.13Å; E124-D128 PolarHBondContact O-N 2.92Å
125Y98.7Very high98.4Very high84 Ų8443.5 Ų43.533%0.32922%0.224SC..Hα-helixtrans-59.5-41.9175.6178.3-101000111.9R57 Q113 I122 S127 D128 I129R57-Y125 PolarHBondContact NH1-OH 2.96Å; Q113-Y125 HydrophobicContact CB-CD1 4.29Å; Q113-Y125 HydrophobicContact CB-CE1 4.07Å; Q113-Y125 HydrophobicContact CG-CD1 4.08Å; Q113-Y125 HydrophobicContact CG-CE1 4.05Å; I122-Y125 HydrophobicContact CD1-CD1 3.9Å; Y125-S127 VanDerWaalsContact C-N 3.29Å; Y125-S127 PolarHBondContact O-N 2.9Å; Y125-D128 PolarHBondContact O-N 2.89Å; Y125-I129 HydrophobicContact CD1-CG1 4.41Å; Y125-I129 HydrophobicContact CD2-CG1 4.07Å; Y125-I129 HydrophobicContact CE1-CG1 3.98Å; Y125-I129 HydrophobicContact CE2-CD1 3.96Å; Y125-I129 HydrophobicContact CE2-CG1 3.59Å; Y125-I129 HydrophobicContact CG-CG1 4.46Å; Y125-I129 WeakPolarHBondContact O-CG1 3.48Å; Y125-I129 PolarHBondContact O-N 3.32Å
126T98.7Very high98.4Very high0 Ų044.1 Ų44.10%023%0.225CC..Hα-helixtrans-61.3-41177.4-570000111.2Q113 I122 P123 E124 N130Q113-T126 HydrophobicContact CB-CG2 4.4Å; Q113-T126 PolarHBondContact NE2-OG1 3.08Å; I122-T126 WeakPolarHBondContact O-CB 3.33Å; I122-T126 PolarHBondContact O-N 3.17Å; I122-T126 PolarHBondContact O-OG1 2.66Å; P123-T126 PolarHBondContact O-N 3.48Å; E124-T126 VanDerWaalsContact C-N 3.3Å; E124-T126 PolarHBondContact O-N 2.95Å; T126-N130 WeakPolarHBondContact O-CB 3.47Å; T126-N130 PolarHBondContact O-N 3.39Å
127S98.7Very high98.5Very high46 Ų4643.7 Ų43.732%0.32222%0.222SC..Hα-helixtrans-69.4-44.8178.7-56.30000111.4P123 E124 Y125 I129 A131 L132P123-S127 WeakPolarHBondContact O-CB 3.36Å; P123-S127 PolarHBondContact O-N 3.12Å; P123-S127 PolarHBondContact O-OG 2.98Å; E124-S127 PolarHBondContact O-N 2.91Å; E124-S127 VanDerWaalsContact O-N 3.13Å; Y125-S127 VanDerWaalsContact C-N 3.29Å; Y125-S127 PolarHBondContact O-N 2.9Å; S127-I129 VanDerWaalsContact C-N 3.33Å; S127-I129 PolarHBondContact O-N 2.84Å; S127-A131 WeakPolarHBondContact O-CA 3.47Å; S127-A131 WeakPolarHBondContact O-CB 3.3Å; S127-A131 PolarHBondContact O-N 3.48Å; S127-L132 PolarHBondContact O-N 3.34Å
128D98.7Very high98.5Very high46 Ų4641.2 Ų41.225%0.24621%0.212CC..Iπ-helixtrans-59.6-43.9179.2-174.738.2000112.2S90 E124 Y125 L132 G133 R136S90-D128 WeakPolarHBondContact CB-OD2 3.45Å; E124-D128 PolarHBondContact O-N 2.92Å; Y125-D128 PolarHBondContact O-N 2.89Å; D128-L132 CarbonylContact O-C 3.56Å; D128-L132 WeakPolarHBondContact O-CB 3.39Å; D128-L132 PolarHBondContact O-N 3.44Å; D128-G133 PolarHBondContact O-N 3.27Å; D128-R136 PolarHBondContact O-NH1 3.49Å; D128-R136 IonicContact OD1-CZ 2.69Å; D128-R136 VanDerWaalsContact OD1-CZ 3.28Å; D128-R136 IonicContact OD1-NH1 2.72Å; D128-R136 PolarHBondContact OD1-NH1 3.45Å; D128-R136 IonicContact OD1-NH2 2.82Å; D128-R136 PolarHBondContact OD1-NH2 3.31Å
129I98.7Very high98.5Very high8 Ų840.6 Ų40.64%0.04121%0.209CC..Iπ-helixtrans-76.8-52179.8-60.7-54.6000112L89 Y125 S127 G133L89-I129 HydrophobicContact CB-CD1 4.25Å; L89-I129 HydrophobicContact CB-CG2 4.17Å; L89-I129 HydrophobicContact CD1-CG2 3.93Å; Y125-I129 HydrophobicContact CD1-CG1 4.41Å; Y125-I129 HydrophobicContact CD2-CG1 4.07Å; Y125-I129 HydrophobicContact CE1-CG1 3.98Å; Y125-I129 HydrophobicContact CE2-CD1 3.96Å; Y125-I129 HydrophobicContact CE2-CG1 3.59Å; Y125-I129 HydrophobicContact CG-CG1 4.46Å; Y125-I129 WeakPolarHBondContact O-CG1 3.48Å; Y125-I129 PolarHBondContact O-N 3.32Å; S127-I129 VanDerWaalsContact C-N 3.33Å; S127-I129 PolarHBondContact O-N 2.84Å; I129-G133 VanDerWaalsContact O-CA 3.31Å; I129-G133 WeakPolarHBondContact O-CA 3.47Å; I129-G133 PolarHBondContact O-N 3.09Å
130N98.7Very high98.5Very high1 Ų140.6 Ų40.61%0.00521%0.209CC..Iπ-helixtrans-78.6-36.2-169.7-64.1-0.3000112.5A112 Q113 T126 T134 Y180 A183 A187A112-N130 WeakPolarHBondContact CA-OD1 3.43Å; A112-N130 VanDerWaalsContact CB-OD1 3.27Å; A112-N130 WeakPolarHBondContact CB-OD1 3.41Å; Q113-N130 PolarHBondContact N-OD1 3.19Å; Q113-N130 PolarHBondContact O-ND2 2.96Å; T126-N130 WeakPolarHBondContact O-CB 3.47Å; T126-N130 PolarHBondContact O-N 3.39Å; N130-T134 PolarHBondContact O-OG1 2.89Å; N130-Y180 VanDerWaalsContact ND2-CD2 3.3Å; N130-Y180 WeakPolarHBondContact ND2-CD2 3.3Å; N130-A183 HydrophobicContact CB-CB 3.86Å; N130-A187 WeakPolarHBondContact O-CB 3.49Å
131A98.8Very high98.5Very high7 Ų738.3 Ų38.36%0.05820%0.2CC..Iπ-helixtrans-89.9-67.6179.100000110.8S127 G133 T134 L135 A183 Y186S127-A131 WeakPolarHBondContact O-CA 3.47Å; S127-A131 WeakPolarHBondContact O-CB 3.3Å; S127-A131 PolarHBondContact O-N 3.48Å; A131-G133 VanDerWaalsContact C-N 3.33Å; A131-G133 PolarHBondContact O-N 3.05Å; A131-T134 WeakPolarHBondContact O-CB 3.49Å; A131-T134 PolarHBondContact O-N 3.34Å; A131-T134 VanDerWaalsContact O-N 3.15Å; A131-L135 PolarHBondContact O-N 2.99Å; A131-A183 HydrophobicContact CB-CB 4.09Å; A131-Y186 HydrophobicContact CB-CD1 3.46Å; A131-Y186 VanDerWaalsContact CB-CD1 3.46Å; A131-Y186 HydrophobicContact CB-CE1 4.2Å; A131-Y186 HydrophobicContact CB-CG 3.78Å
132L98.7Very high98.4Very high72 Ų7238.3 Ų38.338%0.37719%0.191SC..Iπ-helixtrans-68.8-30.9-173.9-60.4-178.6000112.6S127 D128 T134 L135 R136 Y186S127-L132 PolarHBondContact O-N 3.34Å; D128-L132 CarbonylContact O-C 3.56Å; D128-L132 WeakPolarHBondContact O-CB 3.39Å; D128-L132 PolarHBondContact O-N 3.44Å; L132-T134 VanDerWaalsContact C-N 3.26Å; L132-T134 PolarHBondContact O-N 3.25Å; L132-L135 HydrophobicContact CD2-CD2 4.45Å; L132-L135 WeakPolarHBondContact O-CB 3.27Å; L132-L135 PolarHBondContact O-N 2.89Å; L132-R136 VanDerWaalsContact O-CG 3.32Å; L132-R136 WeakPolarHBondContact O-CG 3.27Å; L132-R136 PolarHBondContact O-N 3.16Å; L132-Y186 HydrophobicContact CD2-CE1 4.47Å
133G98.7Very high98.3Very high0 Ų038.6 Ų38.60%020%0.204CC..Hα-helixtrans-58.1-37.2172.400000113.5L89 D128 I129 A131 R136 L137L89-G133 WeakPolarHBondContact O-CA 3.32Å; D128-G133 PolarHBondContact O-N 3.27Å; I129-G133 VanDerWaalsContact O-CA 3.31Å; I129-G133 WeakPolarHBondContact O-CA 3.47Å; I129-G133 PolarHBondContact O-N 3.09Å; A131-G133 VanDerWaalsContact C-N 3.33Å; A131-G133 PolarHBondContact O-N 3.05Å; G133-R136 PolarHBondContact O-N 2.72Å; G133-L137 PolarHBondContact O-N 2.69Å; G133-L137 VanDerWaalsContact O-N 3.14Å
134T98.8Very high98.3Very high1 Ų137 Ų371%0.00619%0.193CC..Hα-helixtrans-66.1-46.6174.5-54.60000110.8N109 N130 A131 L132 R136 L137 L138 F151 Q153 A187 I190 V191N109-T134 PolarHBondContact ND2-OG1 2.96Å; N130-T134 PolarHBondContact O-OG1 2.89Å; A131-T134 WeakPolarHBondContact O-CB 3.49Å; A131-T134 PolarHBondContact O-N 3.34Å; A131-T134 VanDerWaalsContact O-N 3.15Å; L132-T134 VanDerWaalsContact C-N 3.26Å; L132-T134 PolarHBondContact O-N 3.25Å; T134-R136 VanDerWaalsContact C-N 3.3Å; T134-R136 PolarHBondContact O-N 3.12Å; T134-L137 PolarHBondContact O-N 2.79Å; T134-L138 HydrophobicContact CG2-CD1 4.25Å; T134-L138 WeakPolarHBondContact O-CG 3.49Å; T134-L138 PolarHBondContact O-N 2.82Å; T134-L138 VanDerWaalsContact O-N 3.12Å; T134-F151 HydrophobicContact CG2-CE1 4.38Å; T134-F151 HydrophobicContact CG2-CZ 4.33Å; T134-Q153 PolarHBondContact OG1-NE2 3.13Å; T134-A187 HydrophobicContact CG2-CB 4.11Å; T134-A187 WeakPolarHBondContact OG1-CB 3.43Å; T134-I190 HydrophobicContact CG2-CG2 4.14Å; T134-V191 HydrophobicContact CG2-CG2 3.75Å
135L98.7Very high98.1Very high43 Ų4330.7 Ų30.723%0.22518%0.175CC..Hα-helixtrans-59.1-40.5174.9171.363.2000112A131 L132 L138 S139 Y186 I190 Y194A131-L135 PolarHBondContact O-N 2.99Å; L132-L135 HydrophobicContact CD2-CD2 4.45Å; L132-L135 WeakPolarHBondContact O-CB 3.27Å; L132-L135 PolarHBondContact O-N 2.89Å; L135-L138 PolarHBondContact O-N 2.82Å; L135-S139 VanDerWaalsContact O-CB 3.27Å; L135-S139 WeakPolarHBondContact O-CB 3.42Å; L135-S139 PolarHBondContact O-N 3.03Å; L135-S139 PolarHBondContact O-OG 3.28Å; L135-Y186 HydrophobicContact CB-CE1 4.37Å; L135-Y186 WeakPolarHBondContact CD2-OH 3.48Å; L135-I190 HydrophobicContact CB-CG1 4.36Å; L135-I190 HydrophobicContact CD1-CD1 4.13Å; L135-I190 HydrophobicContact CD1-CG1 3.87Å; L135-Y194 HydrophobicContact CD1-CE2 3.95Å; L135-Y194 VanDerWaalsContact CD1-OH 3.28Å; L135-Y194 WeakPolarHBondContact CD1-OH 3.42Å
136R98.6Very high97.9Very high46 Ų4627.3 Ų27.317%0.17416%0.162CC..Hα-helixtrans-62.7-44.3179.2-73.2172.4-171.9113.82.4111.8L89 S90 C92 L95 D128 L132 G133 T134 S139 A140L89-R136 WeakPolarHBondContact O-CD 3.44Å; L89-R136 PolarHBondContact O-NH1 3.07Å; S90-R136 PolarHBondContact O-NE 3.46Å; C92-R136 HydrophobicContact CB-CG 4.33Å; L95-R136 HydrophobicContact CD1-CB 3.92Å; D128-R136 PolarHBondContact O-NH1 3.49Å; D128-R136 IonicContact OD1-CZ 2.69Å; D128-R136 VanDerWaalsContact OD1-CZ 3.28Å; D128-R136 IonicContact OD1-NH1 2.72Å; D128-R136 PolarHBondContact OD1-NH1 3.45Å; D128-R136 IonicContact OD1-NH2 2.82Å; D128-R136 PolarHBondContact OD1-NH2 3.31Å; L132-R136 VanDerWaalsContact O-CG 3.32Å; L132-R136 WeakPolarHBondContact O-CG 3.27Å; L132-R136 PolarHBondContact O-N 3.16Å; G133-R136 PolarHBondContact O-N 2.72Å; T134-R136 VanDerWaalsContact C-N 3.3Å; T134-R136 PolarHBondContact O-N 3.12Å; R136-S139 PolarHBondContact O-N 2.74Å; R136-A140 VanDerWaalsContact O-CB 3.31Å; R136-A140 WeakPolarHBondContact O-CB 3.42Å; R136-A140 PolarHBondContact O-N 2.85Å
137L98.4Very high97.2Very high0 Ų033.5 Ų33.50%020%0.195CC..Hα-helixtrans-61.2-47.9175.5-77.1170.7000111.9T14 L89 L95 I99 N109 G133 T134 S139 A140 I141 F151T14-L137 HydrophobicContact CG2-CD1 3.98Å; T14-L137 HydrophobicContact CG2-CD2 4.32Å; L89-L137 HydrophobicContact CD2-CD1 3.79Å; L89-L137 HydrophobicContact CD2-CG 4.11Å; L95-L137 HydrophobicContact CD1-CD2 4.16Å; L95-L137 HydrophobicContact CD1-CG 4.24Å; L95-L137 HydrophobicContact CD2-CD2 3.96Å; L95-L137 HydrophobicContact CG-CD2 4.47Å; I99-L137 HydrophobicContact CD1-CD2 3.9Å; N109-L137 HydrophobicContact CB-CD1 3.85Å; N109-L137 WeakPolarHBondContact OD1-CD1 3.37Å; G133-L137 PolarHBondContact O-N 2.69Å; G133-L137 VanDerWaalsContact O-N 3.14Å; T134-L137 PolarHBondContact O-N 2.79Å; L137-S139 VanDerWaalsContact C-N 3.31Å; L137-S139 PolarHBondContact O-N 3.37Å; L137-A140 WeakPolarHBondContact O-CB 3.38Å; L137-A140 PolarHBondContact O-N 2.93Å; L137-I141 WeakPolarHBondContact O-CG1 3.45Å; L137-I141 PolarHBondContact O-N 2.57Å; L137-F151 HydrophobicContact CB-CE2 3.98Å; L137-F151 HydrophobicContact CB-CZ 4.39Å; L137-F151 HydrophobicContact CD1-CE2 4.23Å; L137-F151 HydrophobicContact CD1-CZ 4.44Å
138L98.3Very high96.7Very high0 Ų038.8 Ų38.80%022%0.22CC..Hα-helixtrans-62.4-38.8178-71171.3000112.2T134 L135 I141 R142 F151 I190 V191 Y194T134-L138 HydrophobicContact CG2-CD1 4.25Å; T134-L138 WeakPolarHBondContact O-CG 3.49Å; T134-L138 PolarHBondContact O-N 2.82Å; T134-L138 VanDerWaalsContact O-N 3.12Å; L135-L138 PolarHBondContact O-N 2.82Å; L138-I141 HydrophobicContact CD2-CD1 4.48Å; L138-I141 WeakPolarHBondContact O-CB 3.2Å; L138-I141 PolarHBondContact O-N 3.08Å; L138-R142 PolarHBondContact O-N 3.44Å; L138-F151 HydrophobicContact CD2-CD1 3.82Å; L138-F151 HydrophobicContact CD2-CD2 4.21Å; L138-F151 HydrophobicContact CD2-CE1 3.96Å; L138-F151 HydrophobicContact CD2-CE2 4.36Å; L138-F151 HydrophobicContact CD2-CG 3.94Å; L138-F151 HydrophobicContact CD2-CZ 4.23Å; L138-F151 HydrophobicContact CG-CE1 4.31Å; L138-F151 HydrophobicContact CG-CZ 4.31Å; L138-I190 HydrophobicContact CD1-CG2 4.16Å; L138-V191 HydrophobicContact CD1-CG2 3.89Å; L138-Y194 HydrophobicContact CB-CD1 3.59Å; L138-Y194 HydrophobicContact CB-CE1 3.53Å; L138-Y194 HydrophobicContact CB-CG 4.15Å; L138-Y194 HydrophobicContact CD1-CD1 4.28Å; L138-Y194 HydrophobicContact CD1-CD2 4.22Å; L138-Y194 HydrophobicContact CD1-CG 4Å; L138-Y194 HydrophobicContact CD2-CD1 4.27Å; L138-Y194 HydrophobicContact CD2-CG 4.48Å; L138-Y194 HydrophobicContact CG-CD1 4.27Å; L138-Y194 HydrophobicContact CG-CG 4.46Å
139S97.4Very high96.6Very high40 Ų4036.8 Ų36.828%0.2821%0.209SC..Hα-helixtrans-68.1-39.4176-59.40000111.9L135 R136 L137 R142 A143 Y194L135-S139 VanDerWaalsContact O-CB 3.27Å; L135-S139 WeakPolarHBondContact O-CB 3.42Å; L135-S139 PolarHBondContact O-N 3.03Å; L135-S139 PolarHBondContact O-OG 3.28Å; R136-S139 PolarHBondContact O-N 2.74Å; L137-S139 VanDerWaalsContact C-N 3.31Å; L137-S139 PolarHBondContact O-N 3.37Å; S139-R142 PolarHBondContact O-N 3.34Å; S139-A143 WeakPolarHBondContact O-CB 3.42Å; S139-A143 PolarHBondContact O-N 2.98Å; S139-Y194 PolarHBondContact OG-OH 2.89Å; S139-Y194 VanDerWaalsContact OG-OH 3.07Å
140A98Very high96.5Very high0 Ų039 Ų390%022%0.218CC..Hα-helixtrans-63.8-41.1175.200000112I99 R136 L137 R142 A143 C144I99-A140 HydrophobicContact CD1-CB 3.55Å; R136-A140 VanDerWaalsContact O-CB 3.31Å; R136-A140 WeakPolarHBondContact O-CB 3.42Å; R136-A140 PolarHBondContact O-N 2.85Å; L137-A140 WeakPolarHBondContact O-CB 3.38Å; L137-A140 PolarHBondContact O-N 2.93Å; A140-R142 VanDerWaalsContact C-N 3.33Å; A140-R142 PolarHBondContact O-N 3.03Å; A140-A143 PolarHBondContact O-N 3.29Å; A140-C144 WeakPolarHBondContact O-CB 3.38Å; A140-C144 PolarHBondContact O-N 2.71Å; A140-C144 PolarHBondContact O-SG 2.68Å
141I97.8Very high96.6Very high2 Ų238.9 Ų38.91%0.0122%0.218CC..Hα-helixtrans-53.3-51.1172.4-73.1166.3000110.8I99 I107 L137 L138 C144 G145 L146 V149 F151 I200I99-I141 HydrophobicContact CD1-CG1 4.44Å; I107-I141 HydrophobicContact CD1-CD1 3.54Å; I107-I141 HydrophobicContact CD1-CG1 3.6Å; L137-I141 WeakPolarHBondContact O-CG1 3.45Å; L137-I141 PolarHBondContact O-N 2.57Å; L138-I141 HydrophobicContact CD2-CD1 4.48Å; L138-I141 WeakPolarHBondContact O-CB 3.2Å; L138-I141 PolarHBondContact O-N 3.08Å; I141-C144 PolarHBondContact O-N 3.14Å; I141-G145 PolarHBondContact O-N 3.33Å; I141-L146 HydrophobicContact CG2-CB 4.24Å; I141-L146 PolarHBondContact O-N 3.09Å; I141-V149 HydrophobicContact CB-CG1 4.3Å; I141-V149 HydrophobicContact CD1-CG1 3.94Å; I141-V149 HydrophobicContact CG1-CG1 4.01Å; I141-V149 HydrophobicContact CG2-CG1 3.36Å; I141-F151 HydrophobicContact CD1-CB 4.44Å; I141-F151 HydrophobicContact CD1-CD2 3.63Å; I141-F151 HydrophobicContact CD1-CE2 4.29Å; I141-F151 HydrophobicContact CD1-CG 4.34Å; I141-I200 HydrophobicContact CG2-CD1 4.45Å
142R96.6Very high96.6Very high114 Ų11438.6 Ų38.643%0.4322%0.215SC..Hα-helixtrans-65-45179.2-71.3-171.267-144.5-0.2112.4L138 S139 A140 C144 G145 Y194 Y198 I200L138-R142 PolarHBondContact O-N 3.44Å; S139-R142 PolarHBondContact O-N 3.34Å; A140-R142 VanDerWaalsContact C-N 3.33Å; A140-R142 PolarHBondContact O-N 3.03Å; R142-C144 PolarHBondContact O-N 3.22Å; R142-G145 PolarHBondContact O-N 3.08Å; R142-Y194 VanDerWaalsContact CD-CE1 3.5Å; R142-Y194 HydrophobicContact CG-CD1 4.46Å; R142-Y194 HydrophobicContact CG-CE1 4.16Å; R142-Y198 VanDerWaalsContact CZ-CZ 3.43Å; R142-Y198 VanDerWaalsContact NH1-CE1 3.35Å; R142-Y198 PolarHBondContact NH1-OH 2.88Å; R142-Y198 VanDerWaalsContact NH1-OH 3.14Å; R142-Y198 VanDerWaalsContact NH2-CE1 3.27Å; R142-I200 HydrophobicContact CG-CD1 3.68Å
143A96.5Very high96.6Very high77 Ų7735.1 Ų35.164%0.63620%0.198SC*.Hα-helixtrans-60.6-30.6178.900000112.4T96 S139 A140T96-A143 HydrophobicContact CG2-CB 4.42Å; S139-A143 WeakPolarHBondContact O-CB 3.42Å; S139-A143 PolarHBondContact O-N 2.98Å; A140-A143 PolarHBondContact O-N 3.29Å
144C97.1Very high96.6Very high19 Ų1935.8 Ų35.813%0.12820%0.203CC..THydrogen-bonded Turntrans-87.4-1.2177.8-66.20000114.7I99 R103 A140 I141 R142 L146I99-C144 HydrophobicContact CG2-CB 4.13Å; R103-C144 PolarHBondContact NH1-O 2.77Å; A140-C144 WeakPolarHBondContact O-CB 3.38Å; A140-C144 PolarHBondContact O-N 2.71Å; A140-C144 PolarHBondContact O-SG 2.68Å; I141-C144 PolarHBondContact O-N 3.14Å; R142-C144 PolarHBondContact O-N 3.22Å; C144-L146 HydrophobicContact CB-CD1 4.3Å; C144-L146 HydrophobicContact CB-CG 3.99Å
145G95.5Very high96.6Very high39 Ų3936.1 Ų36.140%0.40221%0.205SC..THydrogen-bonded Turntrans5947.1-177.700000112.5I141 R142I141-G145 PolarHBondContact O-N 3.33Å; R142-G145 PolarHBondContact O-N 3.08Å
146L93.6Very high96.6Very high13 Ų1334.8 Ų34.87%0.06820%0.199CC..  trans-98.867.8179.1-65.2-177.4000111.2I99 R103 I141 C144 N148 V149I99-L146 HydrophobicContact CG2-CD1 3.34Å; R103-L146 HydrophobicContact CB-CD2 4.14Å; R103-L146 HydrophobicContact CG-CD2 4.31Å; R103-L146 VanDerWaalsContact NH2-CD2 3.32Å; I141-L146 HydrophobicContact CG2-CB 4.24Å; I141-L146 PolarHBondContact O-N 3.09Å; C144-L146 HydrophobicContact CB-CD1 4.3Å; C144-L146 HydrophobicContact CB-CG 3.99Å; L146-N148 PolarHBondContact O-N 3.21Å; L146-V149 HydrophobicContact CB-CB 4.21Å; L146-V149 HydrophobicContact CB-CG1 4.13Å; L146-V149 VanDerWaalsContact O-CG1 3.28Å; L146-V149 WeakPolarHBondContact O-CG1 3.42Å; L146-V149 PolarHBondContact O-N 2.76Å
147D84.6Confident96.6Very high130 Ų13032.6 Ų32.670%0.69519%0.191SC*.THydrogen-bonded Turntrans-67.6-23.8-172.3-51.3-28.2000113.5
148N89.1Confident96.6Very high157 Ų15733 Ų3384%0.8419%0.193SC*.THydrogen-bonded Turntrans-98.79-178.4-63.3-37.9000114L146L146-N148 PolarHBondContact O-N 3.21Å
149V95.6Very high96.6Very high3 Ų333 Ų332%0.01819%0.193CC..  trans-76.7137.3178.274.90000110.3P104 I107 I141 L146P104-V149 HydrophobicContact CG-CG2 4.44Å; P104-V149 WeakPolarHBondContact O-CG2 3.34Å; I107-V149 HydrophobicContact CD1-CG2 3.8Å; I107-V149 HydrophobicContact CG1-CG2 3.86Å; I141-V149 HydrophobicContact CB-CG1 4.3Å; I141-V149 HydrophobicContact CD1-CG1 3.94Å; I141-V149 HydrophobicContact CG1-CG1 4.01Å; I141-V149 HydrophobicContact CG2-CG1 3.36Å; L146-V149 HydrophobicContact CB-CB 4.21Å; L146-V149 HydrophobicContact CB-CG1 4.13Å; L146-V149 VanDerWaalsContact O-CG1 3.28Å; L146-V149 WeakPolarHBondContact O-CG1 3.42Å; L146-V149 PolarHBondContact O-N 2.76Å
150K98Very high96.6Very high54 Ų5431.1 Ų31.124%0.23518%0.18CC..EExtended strand (participates in β ladder)trans-97128.4171.7-58.4-163.7174.6-165.40110.3C105 E106 I107 F201 L264 Q266C105-K150 PolarHBondContact O-N 3.48Å; E106-K150 CarbonylContact C-O 3.52Å; E106-K150 VanDerWaalsContact CA-O 3.31Å; E106-K150 WeakPolarHBondContact CA-O 3.03Å; E106-K150 HydrophobicContact CG-CB 4.47Å; I107-K150 PolarHBondContact N-O 3.11Å; K150-F201 CarbonylContact C-O 3.54Å; K150-F201 WeakPolarHBondContact CA-O 3.46Å; K150-F201 HydrophobicContact CB-CB 4.39Å; K150-F201 HydrophobicContact CB-CD1 3.73Å; K150-F201 HydrophobicContact CB-CE1 4.39Å; K150-F201 HydrophobicContact CB-CG 4.21Å; K150-F201 HydrophobicContact CD-CD1 3.74Å; K150-F201 HydrophobicContact CD-CD2 4.15Å; K150-F201 HydrophobicContact CD-CE1 3.9Å; K150-F201 HydrophobicContact CD-CE2 4.26Å; K150-F201 HydrophobicContact CD-CG 3.91Å; K150-F201 HydrophobicContact CD-CZ 4.15Å; K150-F201 HydrophobicContact CG-CB 3.96Å; K150-F201 HydrophobicContact CG-CD1 3.71Å; K150-F201 HydrophobicContact CG-CD2 4.37Å; K150-F201 HydrophobicContact CG-CE1 4.36Å; K150-F201 HydrophobicContact CG-CG 3.74Å; K150-L264 HydrophobicContact CB-CB 4.35Å; K150-L264 HydrophobicContact CB-CD1 4.22Å; K150-L264 HydrophobicContact CB-CD2 4.08Å; K150-L264 HydrophobicContact CB-CG 4.46Å; K150-L264 HydrophobicContact CD-CB 4.36Å; K150-L264 WeakPolarHBondContact CD-O 3.37Å; K150-L264 WeakPolarHBondContact CE-O 3.15Å; K150-L264 PolarHBondContact NZ-O 3.15Å; K150-Q266 PolarHBondContact NZ-O 3.38Å
151F98.8Very high96.6Very high0 Ų031.2 Ų31.20%018%0.181CC..EExtended strand (participates in β ladder)trans-115.7120.4-174.4-175.3-91000111.6I107 N109 T134 L137 L138 I141 Q153 V191 F201 A202 C203I107-F151 HydrophobicContact CB-CD2 3.87Å; I107-F151 HydrophobicContact CB-CE2 4.43Å; I107-F151 HydrophobicContact CG2-CD2 3.72Å; I107-F151 HydrophobicContact CG2-CE2 3.75Å; N109-F151 HydrophobicContact CB-CE1 4.41Å; N109-F151 HydrophobicContact CB-CE2 4.08Å; N109-F151 HydrophobicContact CB-CZ 3.63Å; T134-F151 HydrophobicContact CG2-CE1 4.38Å; T134-F151 HydrophobicContact CG2-CZ 4.33Å; L137-F151 HydrophobicContact CB-CE2 3.98Å; L137-F151 HydrophobicContact CB-CZ 4.39Å; L137-F151 HydrophobicContact CD1-CE2 4.23Å; L137-F151 HydrophobicContact CD1-CZ 4.44Å; L138-F151 HydrophobicContact CD2-CD1 3.82Å; L138-F151 HydrophobicContact CD2-CD2 4.21Å; L138-F151 HydrophobicContact CD2-CE1 3.96Å; L138-F151 HydrophobicContact CD2-CE2 4.36Å; L138-F151 HydrophobicContact CD2-CG 3.94Å; L138-F151 HydrophobicContact CD2-CZ 4.23Å; L138-F151 HydrophobicContact CG-CE1 4.31Å; L138-F151 HydrophobicContact CG-CZ 4.31Å; I141-F151 HydrophobicContact CD1-CB 4.44Å; I141-F151 HydrophobicContact CD1-CD2 3.63Å; I141-F151 HydrophobicContact CD1-CE2 4.29Å; I141-F151 HydrophobicContact CD1-CG 4.34Å; F151-Q153 HydrophobicContact CE1-CB 4Å; F151-V191 HydrophobicContact CD1-CG2 4.38Å; F151-V191 HydrophobicContact CE1-CG2 3.89Å; F151-F201 PolarHBondContact N-O 3.37Å; F151-A202 HydrophobicContact CB-CB 4.08Å; F151-A202 HydrophobicContact CD1-CB 4.31Å; F151-A202 CarbonylContact O-C 3.56Å; F151-A202 VanDerWaalsContact O-CA 3.26Å; F151-A202 WeakPolarHBondContact O-CA 3.49Å; F151-C203 PolarHBondContact O-N 3.13Å
152Y98.9Very high96.6Very high0 Ų037 Ų370%021%0.206CC..EExtended strand (participates in β ladder)trans-101.1125.7171172.8-91000110.4I107 Y108 N109 L110 A154 L207 M260 M263I107-Y152 PolarHBondContact O-N 3.18Å; Y108-Y152 HydrophobicContact CD1-CD1 4.06Å; Y108-Y152 HydrophobicContact CD1-CG 4.05Å; N109-Y152 PolarHBondContact N-O 3.19Å; L110-Y152 HydrophobicContact CD2-CD1 3.86Å; L110-Y152 HydrophobicContact CD2-CE1 3.58Å; Y152-A154 HydrophobicContact CE1-CB 4.07Å; Y152-L207 WeakPolarHBondContact OH-CD1 3.48Å; Y152-M260 HydrophobicContact CD1-CB 4.36Å; Y152-M260 HydrophobicContact CD1-SD 4.49Å; Y152-M260 HydrophobicContact CD2-CB 4.1Å; Y152-M260 HydrophobicContact CE1-CB 4.12Å; Y152-M260 HydrophobicContact CE1-CE 4.48Å; Y152-M260 HydrophobicContact CE1-CG 3.8Å; Y152-M260 HydrophobicContact CE1-SD 3.76Å; Y152-M260 HydrophobicContact CE2-CB 3.85Å; Y152-M260 HydrophobicContact CE2-CG 3.88Å; Y152-M260 HydrophobicContact CG-CB 4.36Å; Y152-M260 VanDerWaalsContact CZ-CG 3.46Å; Y152-M260 WeakPolarHBondContact OH-CG 3.41Å; Y152-M263 HydrophobicContact CD2-SD 4.13Å; Y152-M263 HydrophobicContact CE2-SD 3.72Å
153Q98.9Very high96.5Very high0 Ų033 Ų330%020%0.197CC..EExtended strand (participates in β ladder)trans-99.6125.6169.3177.560.611.100111N109 T134 F151 S155 V191 C203 N204 G205N109-Q153 PolarHBondContact ND2-OE1 2.87Å; T134-Q153 PolarHBondContact OG1-NE2 3.13Å; F151-Q153 HydrophobicContact CE1-CB 4Å; Q153-S155 VanDerWaalsContact C-N 3.26Å; Q153-S155 PolarHBondContact O-N 3.31Å; Q153-V191 HydrophobicContact CB-CG1 4.37Å; Q153-V191 HydrophobicContact CB-CG2 3.8Å; Q153-V191 HydrophobicContact CG-CG2 4Å; Q153-C203 PolarHBondContact N-O 2.79Å; Q153-N204 WeakPolarHBondContact CG-OD1 3.37Å; Q153-G205 PolarHBondContact O-N 2.66Å; Q153-G205 VanDerWaalsContact O-N 3.1Å
154A98.8Very high96.6Very high14 Ų1434 Ų3412%0.11619%0.188CC..EExtended strand (participates in β ladder)trans-72.482.4166.600000110.4N109 L110 Y152 K184N109-A154 VanDerWaalsContact O-CB 3.3Å; N109-A154 WeakPolarHBondContact O-CB 3.36Å; N109-A154 PolarHBondContact O-N 3.48Å; L110-A154 HydrophobicContact CD2-CB 3.92Å; Y152-A154 HydrophobicContact CE1-CB 4.07Å; A154-K184 WeakPolarHBondContact O-CE 3.2Å; A154-K184 PolarHBondContact O-NZ 3.02Å
155S98.7Very high96.6Very high8 Ų836.8 Ų36.86%0.05620%0.2CC..  trans-74.9-170.7165.6-83.10000110Q153 N204 G205Q153-S155 VanDerWaalsContact C-N 3.26Å; Q153-S155 PolarHBondContact O-N 3.31Å; S155-N204 PolarHBondContact OG-OD1 2.72Å; S155-G205 CarbonylContact C-O 3.04Å; S155-G205 VanDerWaalsContact C-O 3.23Å; S155-G205 VanDerWaalsContact CA-O 3.3Å; S155-G205 WeakPolarHBondContact CA-O 3.47Å; S155-G205 VanDerWaalsContact CB-O 3.25Å; S155-G205 WeakPolarHBondContact CB-O 3.44Å; S155-G205 PolarHBondContact N-O 3.24Å; S155-G205 VanDerWaalsContact N-O 3.11Å
156S98.7Very high96.8Very high14 Ų1440.4 Ų40.410%0.09821%0.209CC..  trans-159.2150.7-172.3-1790000112.7E158 L159 L207S156-E158 PolarHBondContact O-N 3.38Å; S156-E158 PolarHBondContact OG-N 3.13Å; S156-L159 VanDerWaalsContact O-CB 3.3Å; S156-L159 WeakPolarHBondContact O-CB 3.37Å; S156-L159 WeakPolarHBondContact O-CD1 3.29Å; S156-L159 WeakPolarHBondContact O-CG 3.49Å; S156-L159 PolarHBondContact O-N 3.21Å; S156-L159 VanDerWaalsContact O-N 3.13Å; S156-L207 WeakPolarHBondContact CA-O 3.19Å
157S98.5Very high97Very high1 Ų142.7 Ų42.71%0.00722%0.224CC..G310 helixtrans-58.1-20.5166.858.10000114.1L159 F160 L207S157-L159 PolarHBondContact O-N 3.49Å; S157-L159 VanDerWaalsContact O-N 3.08Å; S157-F160 WeakPolarHBondContact O-CB 3.29Å; S157-F160 WeakPolarHBondContact O-CD2 3.25Å; S157-F160 PolarHBondContact O-N 2.97Å; S157-L207 PolarHBondContact N-O 2.84Å
158E98.5Very high97.7Very high9 Ų936.5 Ų36.54%0.04219%0.191CC..G310 helixtrans-61-17.4174.4-72.6-82145.400112.7V116 S156 F160 G161 Y180 A181 R326V116-E158 HydrophobicContact CG2-CG 4.26Å; S156-E158 PolarHBondContact O-N 3.38Å; S156-E158 PolarHBondContact OG-N 3.13Å; E158-F160 PolarHBondContact O-N 3.48Å; E158-G161 PolarHBondContact O-N 3.5Å; E158-Y180 HydrophobicContact CB-CD1 4.15Å; E158-Y180 HydrophobicContact CB-CE1 3.9Å; E158-Y180 HydrophobicContact CG-CD1 4.27Å; E158-Y180 HydrophobicContact CG-CE1 3.97Å; E158-A181 HydrophobicContact CB-CB 4.15Å; E158-A181 WeakPolarHBondContact O-CB 3.47Å; E158-R326 IonicContact OE1-NH1 3.19Å; E158-R326 IonicContact OE2-NH1 3.37Å
159L98.5Very high98.1Very high0 Ų033.2 Ų33.20%017%0.169CC..G310 helixtrans-58.3-34.1169.9-64.6175.8000112.3S156 S157 G161 F174 Y175 K184 Q185 Y188S156-L159 VanDerWaalsContact O-CB 3.3Å; S156-L159 WeakPolarHBondContact O-CB 3.37Å; S156-L159 WeakPolarHBondContact O-CD1 3.29Å; S156-L159 WeakPolarHBondContact O-CG 3.49Å; S156-L159 PolarHBondContact O-N 3.21Å; S156-L159 VanDerWaalsContact O-N 3.13Å; S157-L159 PolarHBondContact O-N 3.49Å; S157-L159 VanDerWaalsContact O-N 3.08Å; L159-G161 VanDerWaalsContact C-N 3.33Å; L159-F174 HydrophobicContact CB-CD1 3.56Å; L159-F174 HydrophobicContact CB-CE1 3.78Å; L159-F174 HydrophobicContact CB-CG 3.98Å; L159-F174 HydrophobicContact CB-CZ 4.36Å; L159-F174 HydrophobicContact CD1-CE1 4Å; L159-F174 HydrophobicContact CD1-CE2 4.19Å; L159-F174 HydrophobicContact CD1-CZ 3.82Å; L159-F174 WeakPolarHBondContact O-CA 3.26Å; L159-F174 WeakPolarHBondContact O-CB 3.28Å; L159-Y175 CarbonylContact O-C 3.59Å; L159-Y175 PolarHBondContact O-N 3.36Å; L159-K184 HydrophobicContact CD2-CB 3.97Å; L159-Q185 HydrophobicContact CD2-CB 3.67Å; L159-Q185 HydrophobicContact CD2-CG 4.28Å; L159-Q185 VanDerWaalsContact CD2-N 3.27Å; L159-Y188 HydrophobicContact CD1-CD2 3.89Å; L159-Y188 HydrophobicContact CD1-CG 4.28Å
160F98.7Very high98.3Very high0 Ų034.8 Ų34.80%018%0.176CC..G310 helixtrans-75.6-22.7179-59.4-60000113S157 E158 K162 A163 Q168 K169 T172 F174 I206 F208 V273 L333S157-F160 WeakPolarHBondContact O-CB 3.29Å; S157-F160 WeakPolarHBondContact O-CD2 3.25Å; S157-F160 PolarHBondContact O-N 2.97Å; E158-F160 PolarHBondContact O-N 3.48Å; F160-K162 CarbonylContact O-C 3.51Å; F160-K162 PolarHBondContact O-N 3.03Å; F160-A163 WeakPolarHBondContact O-CA 3.21Å; F160-A163 PolarHBondContact O-N 3.36Å; F160-A163 VanDerWaalsContact O-N 3.14Å; F160-Q168 HydrophobicContact CB-CG 3.95Å; F160-Q168 HydrophobicContact CD1-CB 4.05Å; F160-Q168 HydrophobicContact CD1-CG 4.1Å; F160-Q168 HydrophobicContact CD2-CB 3.7Å; F160-Q168 HydrophobicContact CD2-CG 3.9Å; F160-Q168 HydrophobicContact CE1-CB 4.07Å; F160-Q168 HydrophobicContact CE2-CB 3.72Å; F160-Q168 HydrophobicContact CE2-CG 4.43Å; F160-Q168 HydrophobicContact CG-CB 3.87Å; F160-Q168 HydrophobicContact CG-CG 3.72Å; F160-Q168 HydrophobicContact CZ-CB 3.91Å; F160-K169 WeakPolarHBondContact CZ-O 3.36Å; F160-T172 HydrophobicContact CD1-CG2 3.97Å; F160-T172 HydrophobicContact CE1-CG2 4.14Å; F160-T172 WeakPolarHBondContact CE1-O 3.27Å; F160-F174 AromaticContact CD1-CD1 3.69Å; F160-F174 HydrophobicContact CD1-CD1 3.69Å; F160-F174 HydrophobicContact CD1-CE1 4.01Å; F160-F174 AromaticContact CE1-CD1 3.64Å; F160-F174 HydrophobicContact CE1-CD1 3.64Å; F160-F174 AromaticContact CE1-CE1 3.49Å; F160-F174 HydrophobicContact CE1-CE1 3.49Å; F160-F174 VanDerWaalsContact CE1-CE1 3.49Å; F160-F174 HydrophobicContact CZ-CD1 4.48Å; F160-F174 AromaticContact CZ-CE1 3.96Å; F160-F174 HydrophobicContact CZ-CE1 3.96Å; F160-I206 HydrophobicContact CE2-CG2 3.72Å; F160-I206 HydrophobicContact CZ-CG2 3.98Å; F160-F208 HydrophobicContact CD2-CE2 4.39Å; F160-F208 AromaticContact CD2-CZ 3.92Å; F160-F208 HydrophobicContact CD2-CZ 3.92Å; F160-F208 AromaticContact CE2-CE2 3.92Å; F160-F208 HydrophobicContact CE2-CE2 3.92Å; F160-F208 AromaticContact CE2-CZ 3.85Å; F160-F208 HydrophobicContact CE2-CZ 3.85Å; F160-V273 HydrophobicContact CZ-CG2 4.32Å; F160-L333 HydrophobicContact CB-CD2 4.2Å
161G97.6Very high98.3Very high1 Ų137.2 Ų37.21%0.0120%0.196CC..SBendtrans30.8-98.4177.400000114.9E158 L159 A163 Y175 V330E158-G161 PolarHBondContact O-N 3.5Å; L159-G161 VanDerWaalsContact C-N 3.33Å; G161-A163 VanDerWaalsContact C-N 3.33Å; G161-A163 PolarHBondContact O-N 3.08Å; G161-A163 VanDerWaalsContact O-N 3.07Å; G161-Y175 CarbonylContact C-O 3.57Å; G161-Y175 WeakPolarHBondContact CA-O 3.42Å; G161-Y175 PolarHBondContact N-O 2.96Å; G161-V330 WeakPolarHBondContact O-CG1 3.48Å
162K97.1Very high98.3Very high123 Ų12337.3 Ų37.354%0.53520%0.197SC..SBendtrans-78.386.7168.1-172.9-177.6-178.6-175.80108.7F160 Q164 Y175 R177F160-K162 CarbonylContact O-C 3.51Å; F160-K162 PolarHBondContact O-N 3.03Å; K162-Q164 PolarHBondContact O-N 3.08Å; K162-Q164 PolarHBondContact O-NE2 2.94Å; K162-Y175 HydrophobicContact CB-CD1 4.04Å; K162-Y175 HydrophobicContact CB-CD2 4.49Å; K162-Y175 HydrophobicContact CB-CG 4.02Å; K162-Y175 PolarHBondContact N-O 3.38Å; K162-Y175 WeakPolarHBondContact O-CB 3.46Å; K162-R177 HydrophobicContact CB-CG 4.17Å
163A95.4Very high98.3Very high30 Ų3040.8 Ų40.825%0.24822%0.219CC..  trans-49.2129.7-173.700000112.5F160 G161 Q168F160-A163 WeakPolarHBondContact O-CA 3.21Å; F160-A163 PolarHBondContact O-N 3.36Å; F160-A163 VanDerWaalsContact O-N 3.14Å; G161-A163 VanDerWaalsContact C-N 3.33Å; G161-A163 PolarHBondContact O-N 3.08Å; G161-A163 VanDerWaalsContact O-N 3.07Å; A163-Q168 HydrophobicContact CB-CG 4.21Å
164Q98Very high98.3Very high98 Ų9842.5 Ų42.546%0.45823%0.227SC..SBendtrans-91.1-23.5178.9-60.3-59.9-71.600112.3K162 T172 P173K162-Q164 PolarHBondContact O-N 3.08Å; K162-Q164 PolarHBondContact O-NE2 2.94Å; Q164-T172 HydrophobicContact CB-CG2 4.43Å; Q164-P173 HydrophobicContact CB-CB 4.45Å; Q164-P173 HydrophobicContact CG-CB 4.21Å
165E98.2Very high98.2Very high79 Ų7947 Ų4737%0.36924%0.241SC..SBendtrans-138.5155.4177.7-59.1173.9170.600109.2Q168 T172E165-Q168 WeakPolarHBondContact O-CG 3.47Å; E165-Q168 PolarHBondContact O-NE2 3.31Å; E165-T172 HydrophobicContact CB-CG2 3.71Å; E165-T172 HydrophobicContact CG-CG2 3.99Å; E165-T172 WeakPolarHBondContact OE2-CA 3.38Å; E165-T172 WeakPolarHBondContact OE2-CB 3.4Å; E165-T172 PolarHBondContact OE2-OG1 3.16Å
166I97.8Very high98.2Very high115 Ų11547.9 Ų47.959%0.5925%0.247SC*.SBendtrans-138.4123.6177.7-58.8165.8000108.5L332 V334I166-L332 HydrophobicContact CD1-CD2 3.63Å; I166-L332 HydrophobicContact CG1-CD2 4.18Å; I166-L332 HydrophobicContact CG2-CD2 4.25Å; I166-V334 HydrophobicContact CG2-CG1 3.76Å
167P98.4Very high98.2Very high61 Ų6151.8 Ų51.840%0.39626%0.26SS..SBendcis-65.1162.2-10.530.8-36.7000112.6V334 D336P167-V334 WeakPolarHBondContact CA-O 3.37Å; P167-V334 HydrophobicContact CB-CG1 4.17Å; P167-V334 WeakPolarHBondContact CB-O 3.02Å; P167-D336 HydrophobicContact CB-CB 4.01Å; P167-D336 HydrophobicContact CG-CB 3.77Å
168Q98.7Very high98.2Very high0 Ų052.1 Ų52.10%026%0.262CS..BIsolated β-bridgetrans-87.3135.3176.3-56.178.764.300110.6F160 A163 E165 T172 F208 V334 G335 D336F160-Q168 HydrophobicContact CB-CG 3.95Å; F160-Q168 HydrophobicContact CD1-CB 4.05Å; F160-Q168 HydrophobicContact CD1-CG 4.1Å; F160-Q168 HydrophobicContact CD2-CB 3.7Å; F160-Q168 HydrophobicContact CD2-CG 3.9Å; F160-Q168 HydrophobicContact CE1-CB 4.07Å; F160-Q168 HydrophobicContact CE2-CB 3.72Å; F160-Q168 HydrophobicContact CE2-CG 4.43Å; F160-Q168 HydrophobicContact CG-CB 3.87Å; F160-Q168 HydrophobicContact CG-CG 3.72Å; F160-Q168 HydrophobicContact CZ-CB 3.91Å; A163-Q168 HydrophobicContact CB-CG 4.21Å; E165-Q168 WeakPolarHBondContact O-CG 3.47Å; E165-Q168 PolarHBondContact O-NE2 3.31Å; Q168-T172 WeakPolarHBondContact CA-OG1 3.18Å; Q168-T172 HydrophobicContact CB-CG2 4.17Å; Q168-T172 HydrophobicContact CG-CG2 4.1Å; Q168-F208 HydrophobicContact CB-CZ 4.13Å; Q168-V334 PolarHBondContact N-O 3.42Å; Q168-V334 PolarHBondContact OE1-O 3.31Å; Q168-G335 CarbonylContact O-C 3.6Å; Q168-G335 WeakPolarHBondContact O-CA 3.32Å; Q168-D336 PolarHBondContact O-N 2.62Å
169K98.7Very high98.3Very high87 Ų8753.1 Ų53.138%0.37827%0.269SS..  trans-126.6-179.3176.557.3-178.1173.6-178.70110.5F160 T171 T172 D336F160-K169 WeakPolarHBondContact CZ-O 3.36Å; K169-T171 VanDerWaalsContact CE-OG1 3.29Å; K169-T171 WeakPolarHBondContact CE-OG1 3.34Å; K169-T171 PolarHBondContact O-N 3.16Å; K169-T171 VanDerWaalsContact O-N 3.08Å; K169-T172 PolarHBondContact N-OG1 3.33Å; K169-T172 WeakPolarHBondContact O-CB 3.15Å; K169-T172 PolarHBondContact O-N 3.08Å; K169-T172 PolarHBondContact O-OG1 3.49Å; K169-D336 HydrophobicContact CB-CB 4.23Å
170E98.7Very high98.3Very high36 Ų3654.2 Ų54.217%0.16827%0.273CS..THydrogen-bonded Turntrans-56.6-29.2-177-64.478.7-176.500113.3D271 V273 K339E170-D271 WeakPolarHBondContact CG-O 3.48Å; E170-V273 HydrophobicContact CG-CG2 4.17Å; E170-V273 PolarHBondContact OE1-N 3.1Å; E170-K339 HydrophobicContact CG-CD 3.92Å; E170-K339 WeakPolarHBondContact OE1-CB 3.4Å
171T98.5Very high98.3Very high105 Ų10554.2 Ų54.264%0.64427%0.273SS*.THydrogen-bonded Turntrans-90.5-5.9-179.664.50000113.9K169K169-T171 VanDerWaalsContact CE-OG1 3.29Å; K169-T171 WeakPolarHBondContact CE-OG1 3.34Å; K169-T171 PolarHBondContact O-N 3.16Å; K169-T171 VanDerWaalsContact O-N 3.08Å
172T98.7Very high98.3Very high3 Ų357.9 Ų57.92%0.01830%0.296CS..SBendtrans-68.2128.7-179.1-61.80000109.6F160 Q164 E165 Q168 K169 F174F160-T172 HydrophobicContact CD1-CG2 3.97Å; F160-T172 HydrophobicContact CE1-CG2 4.14Å; F160-T172 WeakPolarHBondContact CE1-O 3.27Å; Q164-T172 HydrophobicContact CB-CG2 4.43Å; E165-T172 HydrophobicContact CB-CG2 3.71Å; E165-T172 HydrophobicContact CG-CG2 3.99Å; E165-T172 WeakPolarHBondContact OE2-CA 3.38Å; E165-T172 WeakPolarHBondContact OE2-CB 3.4Å; E165-T172 PolarHBondContact OE2-OG1 3.16Å; Q168-T172 WeakPolarHBondContact CA-OG1 3.18Å; Q168-T172 HydrophobicContact CB-CG2 4.17Å; Q168-T172 HydrophobicContact CG-CG2 4.1Å; K169-T172 PolarHBondContact N-OG1 3.33Å; K169-T172 WeakPolarHBondContact O-CB 3.15Å; K169-T172 PolarHBondContact O-N 3.08Å; K169-T172 PolarHBondContact O-OG1 3.49Å; T172-F174 PolarHBondContact O-N 3.48Å
173P98.6Very high98.4Very high72 Ų7252.2 Ų52.247%0.46827%0.271SS..PPolyproline II helixtrans-62.7136.5-178.7-2332.8000112.8Q164Q164-P173 HydrophobicContact CB-CB 4.45Å; Q164-P173 HydrophobicContact CG-CB 4.21Å
174F98.7Very high98.6Very high36 Ų3651 Ų5116%0.15826%0.261CS..PPolyproline II helixtrans-74.4141.7177.3-62.2-34.1000112.4L159 F160 T172 Q185 Y188 I206L159-F174 HydrophobicContact CB-CD1 3.56Å; L159-F174 HydrophobicContact CB-CE1 3.78Å; L159-F174 HydrophobicContact CB-CG 3.98Å; L159-F174 HydrophobicContact CB-CZ 4.36Å; L159-F174 HydrophobicContact CD1-CE1 4Å; L159-F174 HydrophobicContact CD1-CE2 4.19Å; L159-F174 HydrophobicContact CD1-CZ 3.82Å; L159-F174 WeakPolarHBondContact O-CA 3.26Å; L159-F174 WeakPolarHBondContact O-CB 3.28Å; F160-F174 AromaticContact CD1-CD1 3.69Å; F160-F174 HydrophobicContact CD1-CD1 3.69Å; F160-F174 HydrophobicContact CD1-CE1 4.01Å; F160-F174 AromaticContact CE1-CD1 3.64Å; F160-F174 HydrophobicContact CE1-CD1 3.64Å; F160-F174 AromaticContact CE1-CE1 3.49Å; F160-F174 HydrophobicContact CE1-CE1 3.49Å; F160-F174 VanDerWaalsContact CE1-CE1 3.49Å; F160-F174 HydrophobicContact CZ-CD1 4.48Å; F160-F174 AromaticContact CZ-CE1 3.96Å; F160-F174 HydrophobicContact CZ-CE1 3.96Å; T172-F174 PolarHBondContact O-N 3.48Å; F174-Q185 HydrophobicContact CD2-CG 4.27Å; F174-Y188 AromaticContact CE2-CD1 3.67Å; F174-Y188 HydrophobicContact CE2-CD1 3.67Å; F174-Y188 HydrophobicContact CE2-CD2 4.14Å; F174-Y188 AromaticContact CE2-CE1 3.6Å; F174-Y188 HydrophobicContact CE2-CE1 3.6Å; F174-Y188 HydrophobicContact CE2-CE2 4.06Å; F174-Y188 AromaticContact CE2-CG 3.95Å; F174-Y188 HydrophobicContact CE2-CG 3.95Å; F174-Y188 AromaticContact CE2-CZ 3.81Å; F174-Y188 HydrophobicContact CZ-CD1 4.35Å; F174-Y188 HydrophobicContact CZ-CD2 4.07Å; F174-Y188 HydrophobicContact CZ-CE1 4.08Å; F174-Y188 AromaticContact CZ-CE2 3.76Å; F174-Y188 HydrophobicContact CZ-CE2 3.76Å; F174-Y188 HydrophobicContact CZ-CG 4.36Å; F174-Y188 AromaticContact CZ-CZ 3.77Å; F174-I206 HydrophobicContact CZ-CD1 4.36Å
175Y98.6Very high98.6Very high109 Ų10948.4 Ų48.443%0.42725%0.249SC..  trans-145.679.6173-161-46.2000109L159 G161 K162L159-Y175 CarbonylContact O-C 3.59Å; L159-Y175 PolarHBondContact O-N 3.36Å; G161-Y175 CarbonylContact C-O 3.57Å; G161-Y175 WeakPolarHBondContact CA-O 3.42Å; G161-Y175 PolarHBondContact N-O 2.96Å; K162-Y175 HydrophobicContact CB-CD1 4.04Å; K162-Y175 HydrophobicContact CB-CD2 4.49Å; K162-Y175 HydrophobicContact CB-CG 4.02Å; K162-Y175 PolarHBondContact N-O 3.38Å; K162-Y175 WeakPolarHBondContact O-CB 3.46Å
176P98.6Very high98.6Very high26 Ų2649.2 Ų49.217%0.16925%0.249CC..  trans-64.4147-176.629.1-38000112.3A181 V182 Q185P176-A181 HydrophobicContact CB-CB 3.45Å; P176-A181 VanDerWaalsContact CB-CB 3.45Å; P176-V182 HydrophobicContact CB-CG2 3.94Å; P176-V182 HydrophobicContact CG-CG2 3.79Å; P176-Q185 VanDerWaalsContact CG-OE1 3.31Å
177R98.5Very high98.7Very high97 Ų9743.7 Ų43.737%0.36622%0.221SC..  trans-122.514.2-176.5-67.7-73.3-74.5166.8-1.7114F120 K162 A328 V330F120-R177 WeakPolarHBondContact CZ-O 3.42Å; K162-R177 HydrophobicContact CB-CG 4.17Å; R177-A328 HydrophobicContact CB-CB 4.42Å; R177-A328 WeakPolarHBondContact O-CB 3.18Å; R177-V330 HydrophobicContact CB-CG2 4.04Å
178S98.7Very high98.7Very high7 Ų741.6 Ų41.65%0.04921%0.205CC..SBendtrans-154159.517964.40000111.6V116 Y180 A181 V182V116-S178 WeakPolarHBondContact CG1-OG 3.44Å; S178-Y180 PolarHBondContact O-N 3.34Å; S178-A181 PolarHBondContact O-N 3.16Å; S178-A181 VanDerWaalsContact O-N 3.08Å; S178-A181 WeakPolarHBondContact OG-CB 3.47Å; S178-A181 PolarHBondContact OG-N 2.94Å; S178-A181 VanDerWaalsContact OG-N 3.08Å; S178-V182 WeakPolarHBondContact O-CG2 3.26Å; S178-V182 PolarHBondContact O-N 3.19Å
179P98.8Very high98.7Very high31 Ų3148.2 Ų48.220%0.20123%0.23CC..Hα-helixtrans-57-36.3171.5-26.636.6000112.7S119 F120 P123 V182 A183S119-P179 WeakPolarHBondContact O-CB 3.38Å; S119-P179 WeakPolarHBondContact O-CG 3.3Å; F120-P179 HydrophobicContact CD1-CG 4.36Å; P123-P179 HydrophobicContact CB-CB 3.79Å; P123-P179 HydrophobicContact CB-CG 3.97Å; P179-V182 PolarHBondContact O-N 3.38Å; P179-A183 WeakPolarHBondContact O-CB 3.25Å; P179-A183 PolarHBondContact O-N 3.04Å
180Y98.8Very high98.7Very high22 Ų2245.3 Ų45.39%0.08622%0.218CC..Hα-helixtrans-55-52.2170.7170.5-94.6000112.3Q113 V116 S119 N130 E158 S178 A183 K184Q113-Y180 VanDerWaalsContact O-CD2 3.29Å; Q113-Y180 WeakPolarHBondContact O-CD2 3.08Å; V116-Y180 HydrophobicContact CG2-CD1 3.76Å; V116-Y180 HydrophobicContact CG2-CE1 4.26Å; V116-Y180 HydrophobicContact CG2-CG 4.12Å; S119-Y180 WeakPolarHBondContact OG-CB 3.42Å; S119-Y180 PolarHBondContact OG-N 3.1Å; S119-Y180 VanDerWaalsContact OG-N 3.16Å; N130-Y180 VanDerWaalsContact ND2-CD2 3.3Å; N130-Y180 WeakPolarHBondContact ND2-CD2 3.3Å; E158-Y180 HydrophobicContact CB-CD1 4.15Å; E158-Y180 HydrophobicContact CB-CE1 3.9Å; E158-Y180 HydrophobicContact CG-CD1 4.27Å; E158-Y180 HydrophobicContact CG-CE1 3.97Å; S178-Y180 PolarHBondContact O-N 3.34Å; Y180-A183 PolarHBondContact O-N 3.33Å; Y180-K184 HydrophobicContact CE1-CG 4.04Å; Y180-K184 HydrophobicContact CE2-CG 4.03Å; Y180-K184 PolarHBondContact O-N 3.39Å
181A98.7Very high98.7Very high0 Ų043.6 Ų43.60%021%0.21CC..Hα-helixtrans-68.1-38.3-176.400000111.9E158 P176 S178 K184 Q185E158-A181 HydrophobicContact CB-CB 4.15Å; E158-A181 WeakPolarHBondContact O-CB 3.47Å; P176-A181 HydrophobicContact CB-CB 3.45Å; P176-A181 VanDerWaalsContact CB-CB 3.45Å; S178-A181 PolarHBondContact O-N 3.16Å; S178-A181 VanDerWaalsContact O-N 3.08Å; S178-A181 WeakPolarHBondContact OG-CB 3.47Å; S178-A181 PolarHBondContact OG-N 2.94Å; S178-A181 VanDerWaalsContact OG-N 3.08Å; A181-K184 PolarHBondContact O-N 2.87Å; A181-Q185 WeakPolarHBondContact O-CB 3.39Å; A181-Q185 PolarHBondContact O-N 3.43Å
182V98.8Very high98.8Very high79 Ų7938.9 Ų38.948%0.47918%0.181SC..Hα-helixtrans-62.8-45174.4174.30000110.7P176 S178 P179 K184 Q185 Y186P176-V182 HydrophobicContact CB-CG2 3.94Å; P176-V182 HydrophobicContact CG-CG2 3.79Å; S178-V182 WeakPolarHBondContact O-CG2 3.26Å; S178-V182 PolarHBondContact O-N 3.19Å; P179-V182 PolarHBondContact O-N 3.38Å; V182-K184 PolarHBondContact O-N 2.89Å; V182-Q185 WeakPolarHBondContact O-CB 3.5Å; V182-Q185 PolarHBondContact O-N 2.99Å; V182-Q185 VanDerWaalsContact O-N 3.13Å; V182-Y186 PolarHBondContact O-N 3.43Å
183A98.9Very high98.8Very high3 Ų342.3 Ų42.33%0.02520%0.2CC..Hα-helixtrans-64.2-39.8176.900000112.3N130 A131 P179 Y180 Q185 Y186 A187N130-A183 HydrophobicContact CB-CB 3.86Å; A131-A183 HydrophobicContact CB-CB 4.09Å; P179-A183 WeakPolarHBondContact O-CB 3.25Å; P179-A183 PolarHBondContact O-N 3.04Å; Y180-A183 PolarHBondContact O-N 3.33Å; A183-Q185 VanDerWaalsContact C-N 3.3Å; A183-Q185 PolarHBondContact O-N 3.31Å; A183-Y186 PolarHBondContact O-N 3.39Å; A183-A187 PolarHBondContact O-N 3.49Å
184K98.8Very high98.7Very high5 Ų539.7 Ų39.72%0.02218%0.18CC..Hα-helixtrans-65.7-32.4172.6-76.5-67.3-173.1-179.90112.4A154 L159 Y180 A181 V182 A187 Y188A154-K184 WeakPolarHBondContact O-CE 3.2Å; A154-K184 PolarHBondContact O-NZ 3.02Å; L159-K184 HydrophobicContact CD2-CB 3.97Å; Y180-K184 HydrophobicContact CE1-CG 4.04Å; Y180-K184 HydrophobicContact CE2-CG 4.03Å; Y180-K184 PolarHBondContact O-N 3.39Å; A181-K184 PolarHBondContact O-N 2.87Å; V182-K184 PolarHBondContact O-N 2.89Å; K184-A187 WeakPolarHBondContact O-CB 3.44Å; K184-A187 PolarHBondContact O-N 3.44Å; K184-Y188 WeakPolarHBondContact O-CB 3.43Å; K184-Y188 PolarHBondContact O-N 3.25Å
185Q98.7Very high98.7Very high44 Ų4439.6 Ų39.621%0.20618%0.179CC..Hα-helixtrans-68.4-40.1176.1-167.9-179.736.200111.7L159 F174 P176 A181 V182 A183 A187 Y188 W189L159-Q185 HydrophobicContact CD2-CB 3.67Å; L159-Q185 HydrophobicContact CD2-CG 4.28Å; L159-Q185 VanDerWaalsContact CD2-N 3.27Å; F174-Q185 HydrophobicContact CD2-CG 4.27Å; P176-Q185 VanDerWaalsContact CG-OE1 3.31Å; A181-Q185 WeakPolarHBondContact O-CB 3.39Å; A181-Q185 PolarHBondContact O-N 3.43Å; V182-Q185 WeakPolarHBondContact O-CB 3.5Å; V182-Q185 PolarHBondContact O-N 2.99Å; V182-Q185 VanDerWaalsContact O-N 3.13Å; A183-Q185 VanDerWaalsContact C-N 3.3Å; A183-Q185 PolarHBondContact O-N 3.31Å; Q185-A187 VanDerWaalsContact C-N 3.33Å; Q185-Y188 WeakPolarHBondContact O-CB 3.35Å; Q185-Y188 PolarHBondContact O-N 3.37Å; Q185-W189 VanDerWaalsContact O-CD1 3.25Å; Q185-W189 PolarHBondContact O-N 3.43Å; Q185-W189 VanDerWaalsContact O-N 3.12Å
186Y98.9Very high98.7Very high95 Ų9540.9 Ų40.937%0.37319%0.189SC..Hα-helixtrans-57.4-49.3168.9176.8-79.9000110.9A131 L132 L135 V182 A183 Y188 W189 I190A131-Y186 HydrophobicContact CB-CD1 3.46Å; A131-Y186 VanDerWaalsContact CB-CD1 3.46Å; A131-Y186 HydrophobicContact CB-CE1 4.2Å; A131-Y186 HydrophobicContact CB-CG 3.78Å; L132-Y186 HydrophobicContact CD2-CE1 4.47Å; L135-Y186 HydrophobicContact CB-CE1 4.37Å; L135-Y186 WeakPolarHBondContact CD2-OH 3.48Å; V182-Y186 PolarHBondContact O-N 3.43Å; A183-Y186 PolarHBondContact O-N 3.39Å; Y186-Y188 VanDerWaalsContact C-N 3.28Å; Y186-Y188 PolarHBondContact O-N 3.34Å; Y186-W189 PolarHBondContact O-N 3.24Å; Y186-I190 HydrophobicContact CD1-CB 4.49Å; Y186-I190 HydrophobicContact CD1-CG2 4.25Å; Y186-I190 HydrophobicContact CE1-CB 4.12Å; Y186-I190 HydrophobicContact CE1-CG1 4.45Å; Y186-I190 HydrophobicContact CE1-CG2 4.05Å; Y186-I190 PolarHBondContact O-N 2.96Å
187A98.9Very high98.7Very high0 Ų042.2 Ų42.20%020%0.202CC..Hα-helixtrans-60.3-38.3-179.100000112.5N130 T134 A183 K184 Q185 I190 V191N130-A187 WeakPolarHBondContact O-CB 3.49Å; T134-A187 HydrophobicContact CG2-CB 4.11Å; T134-A187 WeakPolarHBondContact OG1-CB 3.43Å; A183-A187 PolarHBondContact O-N 3.49Å; K184-A187 WeakPolarHBondContact O-CB 3.44Å; K184-A187 PolarHBondContact O-N 3.44Å; Q185-A187 VanDerWaalsContact C-N 3.33Å; A187-I190 WeakPolarHBondContact O-CG2 3.42Å; A187-V191 WeakPolarHBondContact O-CG2 3.37Å; A187-V191 PolarHBondContact O-N 3.02Å
188Y98.9Very high98.5Very high16 Ų1642.2 Ų42.26%0.06320%0.203CC..Hα-helixtrans-58.4-54.8173.2178.7-81.6000110.9L159 F174 K184 Q185 Y186 I190 V191 V192 N204 I206 D271L159-Y188 HydrophobicContact CD1-CD2 3.89Å; L159-Y188 HydrophobicContact CD1-CG 4.28Å; F174-Y188 AromaticContact CE2-CD1 3.67Å; F174-Y188 HydrophobicContact CE2-CD1 3.67Å; F174-Y188 HydrophobicContact CE2-CD2 4.14Å; F174-Y188 AromaticContact CE2-CE1 3.6Å; F174-Y188 HydrophobicContact CE2-CE1 3.6Å; F174-Y188 HydrophobicContact CE2-CE2 4.06Å; F174-Y188 AromaticContact CE2-CG 3.95Å; F174-Y188 HydrophobicContact CE2-CG 3.95Å; F174-Y188 AromaticContact CE2-CZ 3.81Å; F174-Y188 HydrophobicContact CZ-CD1 4.35Å; F174-Y188 HydrophobicContact CZ-CD2 4.07Å; F174-Y188 HydrophobicContact CZ-CE1 4.08Å; F174-Y188 AromaticContact CZ-CE2 3.76Å; F174-Y188 HydrophobicContact CZ-CE2 3.76Å; F174-Y188 HydrophobicContact CZ-CG 4.36Å; F174-Y188 AromaticContact CZ-CZ 3.77Å; K184-Y188 WeakPolarHBondContact O-CB 3.43Å; K184-Y188 PolarHBondContact O-N 3.25Å; Q185-Y188 WeakPolarHBondContact O-CB 3.35Å; Q185-Y188 PolarHBondContact O-N 3.37Å; Y186-Y188 VanDerWaalsContact C-N 3.28Å; Y186-Y188 PolarHBondContact O-N 3.34Å; Y188-I190 PolarHBondContact O-N 3.22Å; Y188-V191 WeakPolarHBondContact O-CB 3.47Å; Y188-V191 PolarHBondContact O-N 3.19Å; Y188-V192 HydrophobicContact CD1-CG2 3.98Å; Y188-V192 HydrophobicContact CE1-CG2 3.6Å; Y188-V192 WeakPolarHBondContact O-CG2 3.41Å; Y188-V192 PolarHBondContact O-N 2.99Å; Y188-N204 WeakPolarHBondContact CA-OD1 3.4Å; Y188-N204 HydrophobicContact CD2-CB 3.7Å; Y188-N204 VanDerWaalsContact CD2-CG 3.42Å; Y188-N204 HydrophobicContact CE2-CB 3.68Å; Y188-N204 PolarHBondContact O-ND2 2.77Å; Y188-I206 HydrophobicContact CE2-CD1 3.88Å; Y188-I206 HydrophobicContact CE2-CG1 4.03Å; Y188-D271 HydrophobicContact CE2-CB 4.5Å; Y188-D271 PolarHBondContact OH-OD2 3.05Å
189W98.9Very high98.4Very high139 Ų13948.8 Ų48.853%0.52724%0.237SC..Hα-helixtrans-70.7-32.5-174.2-76.3118.2000113.7Q185 Y186 V191 V192 N193Q185-W189 VanDerWaalsContact O-CD1 3.25Å; Q185-W189 PolarHBondContact O-N 3.43Å; Q185-W189 VanDerWaalsContact O-N 3.12Å; Y186-W189 PolarHBondContact O-N 3.24Å; W189-V191 VanDerWaalsContact C-N 3.29Å; W189-V191 PolarHBondContact O-N 3.13Å; W189-V192 HydrophobicContact CE3-CB 4.15Å; W189-V192 HydrophobicContact CE3-CG1 4.2Å; W189-V192 HydrophobicContact CE3-CG2 4.28Å; W189-V192 HydrophobicContact CZ3-CG1 4.21Å; W189-V192 PolarHBondContact O-N 3.32Å; W189-N193 WeakPolarHBondContact O-CB 3.41Å; W189-N193 PolarHBondContact O-N 2.77Å
190I98.8Very high98.2Very high26 Ų2647.8 Ų47.813%0.13323%0.23CC..Hα-helixtrans-68.8-32.3175.3-162.362.3000111.5T134 L135 L138 Y186 A187 Y188 N193 Y194T134-I190 HydrophobicContact CG2-CG2 4.14Å; L135-I190 HydrophobicContact CB-CG1 4.36Å; L135-I190 HydrophobicContact CD1-CD1 4.13Å; L135-I190 HydrophobicContact CD1-CG1 3.87Å; L138-I190 HydrophobicContact CD1-CG2 4.16Å; Y186-I190 HydrophobicContact CD1-CB 4.49Å; Y186-I190 HydrophobicContact CD1-CG2 4.25Å; Y186-I190 HydrophobicContact CE1-CB 4.12Å; Y186-I190 HydrophobicContact CE1-CG1 4.45Å; Y186-I190 HydrophobicContact CE1-CG2 4.05Å; Y186-I190 PolarHBondContact O-N 2.96Å; A187-I190 WeakPolarHBondContact O-CG2 3.42Å; Y188-I190 PolarHBondContact O-N 3.22Å; I190-N193 PolarHBondContact O-N 3.39Å; I190-Y194 HydrophobicContact CD1-CD2 4.1Å; I190-Y194 HydrophobicContact CD1-CE2 3.84Å; I190-Y194 HydrophobicContact CG1-CD2 4.09Å; I190-Y194 HydrophobicContact CG1-CE2 3.96Å; I190-Y194 VanDerWaalsContact O-CD2 3.25Å; I190-Y194 WeakPolarHBondContact O-CD2 3.39Å; I190-Y194 PolarHBondContact O-N 3.46Å
191V98.8Very high98.2Very high0 Ų047.9 Ų47.90%023%0.231CC..Hα-helixtrans-67.1-48173.1168.10000110.8T134 L138 F151 Q153 A187 Y188 W189 N193 Y194 R195 A202T134-V191 HydrophobicContact CG2-CG2 3.75Å; L138-V191 HydrophobicContact CD1-CG2 3.89Å; F151-V191 HydrophobicContact CD1-CG2 4.38Å; F151-V191 HydrophobicContact CE1-CG2 3.89Å; Q153-V191 HydrophobicContact CB-CG1 4.37Å; Q153-V191 HydrophobicContact CB-CG2 3.8Å; Q153-V191 HydrophobicContact CG-CG2 4Å; A187-V191 WeakPolarHBondContact O-CG2 3.37Å; A187-V191 PolarHBondContact O-N 3.02Å; Y188-V191 WeakPolarHBondContact O-CB 3.47Å; Y188-V191 PolarHBondContact O-N 3.19Å; W189-V191 VanDerWaalsContact C-N 3.29Å; W189-V191 PolarHBondContact O-N 3.13Å; V191-N193 VanDerWaalsContact C-N 3.29Å; V191-N193 PolarHBondContact O-N 2.98Å; V191-Y194 PolarHBondContact O-N 2.76Å; V191-R195 PolarHBondContact O-N 2.92Å; V191-A202 HydrophobicContact CG1-CB 3.87Å
192V98.8Very high98.2Very high6 Ų647.9 Ų47.94%0.03623%0.231CC..Hα-helixtrans-55.6-47.3174.11750000110.4Y188 W189 Y194 R195 E196Y188-V192 HydrophobicContact CD1-CG2 3.98Å; Y188-V192 HydrophobicContact CE1-CG2 3.6Å; Y188-V192 WeakPolarHBondContact O-CG2 3.41Å; Y188-V192 PolarHBondContact O-N 2.99Å; W189-V192 HydrophobicContact CE3-CB 4.15Å; W189-V192 HydrophobicContact CE3-CG1 4.2Å; W189-V192 HydrophobicContact CE3-CG2 4.28Å; W189-V192 HydrophobicContact CZ3-CG1 4.21Å; W189-V192 PolarHBondContact O-N 3.32Å; V192-Y194 PolarHBondContact O-N 2.73Å; V192-R195 WeakPolarHBondContact O-CB 3.48Å; V192-R195 PolarHBondContact O-N 2.99Å; V192-E196 HydrophobicContact CG1-CG 4.39Å; V192-E196 VanDerWaalsContact CG1-OE1 3.28Å; V192-E196 WeakPolarHBondContact CG1-OE1 3.17Å; V192-E196 WeakPolarHBondContact O-CG 3.37Å; V192-E196 PolarHBondContact O-N 2.9Å
193N98.7Very high98.2Very high76 Ų7644.1 Ų44.141%0.40621%0.209SC..Hα-helixtrans-63.6-39-179.7-177.3-115.2000112.8W189 I190 V191 E196 A197W189-N193 WeakPolarHBondContact O-CB 3.41Å; W189-N193 PolarHBondContact O-N 2.77Å; I190-N193 PolarHBondContact O-N 3.39Å; V191-N193 VanDerWaalsContact C-N 3.29Å; V191-N193 PolarHBondContact O-N 2.98Å; N193-E196 PolarHBondContact O-N 3.49Å; N193-A197 WeakPolarHBondContact O-CB 3.35Å; N193-A197 PolarHBondContact O-N 2.95Å
194Y98.2Very high98.2Very high16 Ų1644 Ų446%0.06321%0.207CC..Hα-helixtrans-69.6-34.5177-91-121.2000112.6L135 L138 S139 R142 I190 V191 V192 Y198 I200L135-Y194 HydrophobicContact CD1-CE2 3.95Å; L135-Y194 VanDerWaalsContact CD1-OH 3.28Å; L135-Y194 WeakPolarHBondContact CD1-OH 3.42Å; L138-Y194 HydrophobicContact CB-CD1 3.59Å; L138-Y194 HydrophobicContact CB-CE1 3.53Å; L138-Y194 HydrophobicContact CB-CG 4.15Å; L138-Y194 HydrophobicContact CD1-CD1 4.28Å; L138-Y194 HydrophobicContact CD1-CD2 4.22Å; L138-Y194 HydrophobicContact CD1-CG 4Å; L138-Y194 HydrophobicContact CD2-CD1 4.27Å; L138-Y194 HydrophobicContact CD2-CG 4.48Å; L138-Y194 HydrophobicContact CG-CD1 4.27Å; L138-Y194 HydrophobicContact CG-CG 4.46Å; S139-Y194 PolarHBondContact OG-OH 2.89Å; S139-Y194 VanDerWaalsContact OG-OH 3.07Å; R142-Y194 VanDerWaalsContact CD-CE1 3.5Å; R142-Y194 HydrophobicContact CG-CD1 4.46Å; R142-Y194 HydrophobicContact CG-CE1 4.16Å; I190-Y194 HydrophobicContact CD1-CD2 4.1Å; I190-Y194 HydrophobicContact CD1-CE2 3.84Å; I190-Y194 HydrophobicContact CG1-CD2 4.09Å; I190-Y194 HydrophobicContact CG1-CE2 3.96Å; I190-Y194 VanDerWaalsContact O-CD2 3.25Å; I190-Y194 WeakPolarHBondContact O-CD2 3.39Å; I190-Y194 PolarHBondContact O-N 3.46Å; V191-Y194 PolarHBondContact O-N 2.76Å; V192-Y194 PolarHBondContact O-N 2.73Å; Y194-Y198 AromaticContact CD1-CD2 3.74Å; Y194-Y198 HydrophobicContact CD1-CD2 3.74Å; Y194-Y198 HydrophobicContact CD1-CE2 4.06Å; Y194-Y198 HydrophobicContact CD2-CD2 4.28Å; Y194-Y198 HydrophobicContact CD2-CE2 4.06Å; Y194-Y198 HydrophobicContact CE1-CD2 4.16Å; Y194-Y198 HydrophobicContact CE1-CE2 4.09Å; Y194-Y198 HydrophobicContact CE2-CE2 4.07Å; Y194-Y198 AromaticContact CG-CD2 3.83Å; Y194-Y198 HydrophobicContact CG-CD2 3.83Å; Y194-Y198 HydrophobicContact CG-CE2 4.07Å; Y194-Y198 WeakPolarHBondContact O-CB 3.37Å; Y194-Y198 PolarHBondContact O-N 3.29Å; Y194-I200 HydrophobicContact CD1-CD1 3.89Å
195R98.3Very high98.2Very high35 Ų3543.8 Ų43.813%0.13221%0.206CC..Hα-helixtrans-60.6-49.7170.6173176.859.9-141.213.4110.8V191 V192 D199 I200 A202 P269 D271V191-R195 PolarHBondContact O-N 2.92Å; V192-R195 WeakPolarHBondContact O-CB 3.48Å; V192-R195 PolarHBondContact O-N 2.99Å; R195-D199 WeakPolarHBondContact O-CA 3.44Å; R195-D199 PolarHBondContact O-N 3.19Å; R195-I200 WeakPolarHBondContact CA-O 3.47Å; R195-A202 HydrophobicContact CB-CB 4.42Å; R195-A202 WeakPolarHBondContact CD-O 3.22Å; R195-A202 PolarHBondContact NH1-O 3.32Å; R195-P269 HydrophobicContact CG-CB 4.45Å; R195-P269 HydrophobicContact CG-CG 3.94Å; R195-D271 IonicContact CZ-OD1 3.25Å; R195-D271 IonicContact CZ-OD2 3.9Å; R195-D271 IonicContact NH1-OD1 2.78Å; R195-D271 PolarHBondContact NH1-OD1 2.91Å; R195-D271 IonicContact NH1-OD2 3.6Å; R195-D271 PolarHBondContact NH1-OD2 3.38Å; R195-D271 IonicContact NH2-OD1 3.18Å; R195-D271 IonicContact NH2-OD2 2.86Å; R195-D271 PolarHBondContact NH2-OD2 3.39Å
196E98.1Very high98.2Very high135 Ų13541.7 Ų41.763%0.63120%0.197SC*.Hα-helixtrans-77.1-33.5-174.8-68.5174.2-17800114.3V192 N193V192-E196 HydrophobicContact CG1-CG 4.39Å; V192-E196 VanDerWaalsContact CG1-OE1 3.28Å; V192-E196 WeakPolarHBondContact CG1-OE1 3.17Å; V192-E196 WeakPolarHBondContact O-CG 3.37Å; V192-E196 PolarHBondContact O-N 2.9Å; N193-E196 PolarHBondContact O-N 3.49Å
197A97.7Very high98.2Very high54 Ų5437.4 Ų37.445%0.44618%0.18SC..Hα-helixtrans-92.6-23.4-173.500000113.8N193N193-A197 WeakPolarHBondContact O-CB 3.35Å; N193-A197 PolarHBondContact O-N 2.95Å
198Y96.1Very high98.2Very high97 Ų9737.5 Ų37.538%0.3818%0.18SC..Hα-helixtrans-1307.4-173.5-52-57.9000113.6R142 Y194 I200R142-Y198 VanDerWaalsContact CZ-CZ 3.43Å; R142-Y198 VanDerWaalsContact NH1-CE1 3.35Å; R142-Y198 PolarHBondContact NH1-OH 2.88Å; R142-Y198 VanDerWaalsContact NH1-OH 3.14Å; R142-Y198 VanDerWaalsContact NH2-CE1 3.27Å; Y194-Y198 AromaticContact CD1-CD2 3.74Å; Y194-Y198 HydrophobicContact CD1-CD2 3.74Å; Y194-Y198 HydrophobicContact CD1-CE2 4.06Å; Y194-Y198 HydrophobicContact CD2-CD2 4.28Å; Y194-Y198 HydrophobicContact CD2-CE2 4.06Å; Y194-Y198 HydrophobicContact CE1-CD2 4.16Å; Y194-Y198 HydrophobicContact CE1-CE2 4.09Å; Y194-Y198 HydrophobicContact CE2-CE2 4.07Å; Y194-Y198 AromaticContact CG-CD2 3.83Å; Y194-Y198 HydrophobicContact CG-CD2 3.83Å; Y194-Y198 HydrophobicContact CG-CE2 4.07Å; Y194-Y198 WeakPolarHBondContact O-CB 3.37Å; Y194-Y198 PolarHBondContact O-N 3.29Å; Y198-I200 PolarHBondContact O-N 3.1Å; Y198-I200 VanDerWaalsContact O-N 3.07Å
199D95.2Very high98.2Very high145 Ų14538.1 Ų38.178%0.77519%0.185SC*.  trans52.928.4-178.9-60.4-45.3000113.9R195R195-D199 WeakPolarHBondContact O-CA 3.44Å; R195-D199 PolarHBondContact O-N 3.19Å
200I96.1Very high98.2Very high10 Ų1032.3 Ų32.35%0.05116%0.164CC..  trans-75.8131.4175.3-65169000108.2I141 R142 Y194 R195 Y198 A202I141-I200 HydrophobicContact CG2-CD1 4.45Å; R142-I200 HydrophobicContact CG-CD1 3.68Å; Y194-I200 HydrophobicContact CD1-CD1 3.89Å; R195-I200 WeakPolarHBondContact CA-O 3.47Å; Y198-I200 PolarHBondContact O-N 3.1Å; Y198-I200 VanDerWaalsContact O-N 3.07Å; I200-A202 HydrophobicContact CG2-CB 4.27Å; I200-A202 PolarHBondContact O-N 3.13Å
201F98.3Very high98.2Very high25 Ų2531.2 Ų31.211%0.1116%0.158CC..  trans-65.695.6170.9-167-67.6000109.3K150 F151 L264 Q266 E268 P269K150-F201 CarbonylContact C-O 3.54Å; K150-F201 WeakPolarHBondContact CA-O 3.46Å; K150-F201 HydrophobicContact CB-CB 4.39Å; K150-F201 HydrophobicContact CB-CD1 3.73Å; K150-F201 HydrophobicContact CB-CE1 4.39Å; K150-F201 HydrophobicContact CB-CG 4.21Å; K150-F201 HydrophobicContact CD-CD1 3.74Å; K150-F201 HydrophobicContact CD-CD2 4.15Å; K150-F201 HydrophobicContact CD-CE1 3.9Å; K150-F201 HydrophobicContact CD-CE2 4.26Å; K150-F201 HydrophobicContact CD-CG 3.91Å; K150-F201 HydrophobicContact CD-CZ 4.15Å; K150-F201 HydrophobicContact CG-CB 3.96Å; K150-F201 HydrophobicContact CG-CD1 3.71Å; K150-F201 HydrophobicContact CG-CD2 4.37Å; K150-F201 HydrophobicContact CG-CE1 4.36Å; K150-F201 HydrophobicContact CG-CG 3.74Å; F151-F201 PolarHBondContact N-O 3.37Å; F201-L264 HydrophobicContact CD1-CD2 4.29Å; F201-L264 HydrophobicContact CE1-CD2 3.99Å; F201-Q266 VanDerWaalsContact CE2-O 3.24Å; F201-Q266 WeakPolarHBondContact CE2-O 3.28Å; F201-Q266 HydrophobicContact CZ-CB 4.38Å; F201-Q266 WeakPolarHBondContact CZ-O 3.41Å; F201-E268 VanDerWaalsContact CE2-C 3.49Å; F201-P269 HydrophobicContact CB-CB 4.48Å; F201-P269 HydrophobicContact CD1-CB 3.84Å; F201-P269 HydrophobicContact CD2-CB 3.98Å; F201-P269 HydrophobicContact CD2-CG 4.14Å; F201-P269 HydrophobicContact CE1-CB 3.93Å; F201-P269 HydrophobicContact CE2-CB 4.09Å; F201-P269 HydrophobicContact CE2-CG 4.47Å; F201-P269 HydrophobicContact CG-CB 3.85Å; F201-P269 HydrophobicContact CG-CG 4.28Å; F201-P269 HydrophobicContact CZ-CB 4.06Å
202A98.6Very high98.2Very high0 Ų031.2 Ų31.20%016%0.158CC..EExtended strand (participates in β ladder)trans-136.3128.2-178.200000111.4F151 V191 R195 I200F151-A202 HydrophobicContact CB-CB 4.08Å; F151-A202 HydrophobicContact CD1-CB 4.31Å; F151-A202 CarbonylContact O-C 3.56Å; F151-A202 VanDerWaalsContact O-CA 3.26Å; F151-A202 WeakPolarHBondContact O-CA 3.49Å; V191-A202 HydrophobicContact CG1-CB 3.87Å; R195-A202 HydrophobicContact CB-CB 4.42Å; R195-A202 WeakPolarHBondContact CD-O 3.22Å; R195-A202 PolarHBondContact NH1-O 3.32Å; I200-A202 HydrophobicContact CG2-CB 4.27Å; I200-A202 PolarHBondContact O-N 3.13Å
203C98.6Very high98.2Very high0 Ų032 Ų320%016%0.164CC..EExtended strand (participates in β ladder)trans-127.3149.5-176.960.90000112.3F151 Q153 L264 D270F151-C203 PolarHBondContact O-N 3.13Å; Q153-C203 PolarHBondContact N-O 2.79Å; C203-L264 WeakPolarHBondContact SG-CD2 3.44Å; C203-D270 WeakPolarHBondContact CB-O 3.28Å
204N98.9Very high98.1Very high0 Ų030.9 Ų30.90%015%0.153CC..EExtended strand (participates in β ladder)trans-101.1120.7168.4-68.8-79.7000111Q153 S155 Y188 I206 D271 Y272Q153-N204 WeakPolarHBondContact CG-OD1 3.37Å; S155-N204 PolarHBondContact OG-OD1 2.72Å; Y188-N204 WeakPolarHBondContact CA-OD1 3.4Å; Y188-N204 HydrophobicContact CD2-CB 3.7Å; Y188-N204 VanDerWaalsContact CD2-CG 3.42Å; Y188-N204 HydrophobicContact CE2-CB 3.68Å; Y188-N204 PolarHBondContact O-ND2 2.77Å; N204-I206 PolarHBondContact O-N 3.08Å; N204-D271 HydrophobicContact CB-CB 4.13Å; N204-D271 VanDerWaalsContact CB-OD1 3.24Å; N204-D271 WeakPolarHBondContact CB-OD1 3.25Å; N204-D271 PolarHBondContact N-OD1 2.91Å; N204-D271 PolarHBondContact ND2-OD1 3.33Å; N204-D271 VanDerWaalsContact ND2-OD1 3.09Å; N204-D271 WeakPolarHBondContact O-CA 3.49Å; N204-Y272 PolarHBondContact O-N 2.85Å; N204-Y272 VanDerWaalsContact O-N 3.08Å
205G98.9Very high98.1Very high0 Ų031.5 Ų31.50%016%0.156CC..EExtended strand (participates in β ladder)trans-82.3107.3160.100000109.9Q153 S155 L207Q153-G205 PolarHBondContact O-N 2.66Å; Q153-G205 VanDerWaalsContact O-N 3.1Å; S155-G205 CarbonylContact C-O 3.04Å; S155-G205 VanDerWaalsContact C-O 3.23Å; S155-G205 VanDerWaalsContact CA-O 3.3Å; S155-G205 WeakPolarHBondContact CA-O 3.47Å; S155-G205 VanDerWaalsContact CB-O 3.25Å; S155-G205 WeakPolarHBondContact CB-O 3.44Å; S155-G205 PolarHBondContact N-O 3.24Å; S155-G205 VanDerWaalsContact N-O 3.11Å; G205-L207 VanDerWaalsContact C-CD1 3.43Å; G205-L207 PolarHBondContact O-N 2.69Å
206I98.9Very high98Very high0 Ų030.6 Ų30.60%016%0.158CC..EExtended strand (participates in β ladder)trans-84.569.8174.3-47.3171.5000108F160 F174 Y188 N204 Y272 V273 I274F160-I206 HydrophobicContact CE2-CG2 3.72Å; F160-I206 HydrophobicContact CZ-CG2 3.98Å; F174-I206 HydrophobicContact CZ-CD1 4.36Å; Y188-I206 HydrophobicContact CE2-CD1 3.88Å; Y188-I206 HydrophobicContact CE2-CG1 4.03Å; N204-I206 PolarHBondContact O-N 3.08Å; I206-Y272 PolarHBondContact N-O 3.37Å; I206-V273 HydrophobicContact CB-CG2 4.05Å; I206-V273 HydrophobicContact CD1-CG2 4.22Å; I206-V273 HydrophobicContact CG2-CG2 4.21Å; I206-I274 PolarHBondContact O-N 3.22Å
207L98.8Very high97.8Very high6 Ų628.9 Ų28.93%0.03115%0.149CC..EExtended strand (participates in β ladder)trans-78.2130.3-174.1-86.158.3000111.1Y152 S156 S157 G205 Y256 M260 M263 I274Y152-L207 WeakPolarHBondContact OH-CD1 3.48Å; S156-L207 WeakPolarHBondContact CA-O 3.19Å; S157-L207 PolarHBondContact N-O 2.84Å; G205-L207 VanDerWaalsContact C-CD1 3.43Å; G205-L207 PolarHBondContact O-N 2.69Å; L207-Y256 HydrophobicContact CB-CD1 4.11Å; L207-Y256 HydrophobicContact CD2-CD1 3.88Å; L207-Y256 HydrophobicContact CD2-CG 4.44Å; L207-Y256 HydrophobicContact CG-CD1 3.74Å; L207-Y256 HydrophobicContact CG-CE1 4.47Å; L207-M260 HydrophobicContact CD2-CE 3.37Å; L207-M260 HydrophobicContact CD2-CG 4.41Å; L207-M263 HydrophobicContact CD1-CE 4.33Å; L207-I274 HydrophobicContact CD1-CB 3.77Å; L207-I274 HydrophobicContact CD1-CG1 3.7Å; L207-I274 HydrophobicContact CD1-CG2 4.46Å; L207-I274 HydrophobicContact CG-CB 3.84Å; L207-I274 HydrophobicContact CG-CG1 4.31Å; L207-I274 HydrophobicContact CG-CG2 4.17Å
208F98.8Very high97.6Very high1 Ų130.9 Ų30.90%0.00416%0.156CC..  trans-72.2175.9166.2-80.1-105.5000111.2F160 Q168 H210 D249 Y256 V273 I274 L333 V334F160-F208 HydrophobicContact CD2-CE2 4.39Å; F160-F208 AromaticContact CD2-CZ 3.92Å; F160-F208 HydrophobicContact CD2-CZ 3.92Å; F160-F208 AromaticContact CE2-CE2 3.92Å; F160-F208 HydrophobicContact CE2-CE2 3.92Å; F160-F208 AromaticContact CE2-CZ 3.85Å; F160-F208 HydrophobicContact CE2-CZ 3.85Å; Q168-F208 HydrophobicContact CB-CZ 4.13Å; F208-H210 PolarHBondContact O-N 2.8Å; F208-H210 PolarHBondContact O-ND1 2.85Å; F208-D249 HydrophobicContact CB-CB 4.38Å; F208-D249 HydrophobicContact CD1-CB 3.87Å; F208-D249 HydrophobicContact CG-CB 4.46Å; F208-Y256 WeakPolarHBondContact O-CE1 3.24Å; F208-V273 HydrophobicContact CD2-CG1 3.96Å; F208-V273 HydrophobicContact CE2-CG1 3.6Å; F208-I274 WeakPolarHBondContact CB-O 3.22Å; F208-I274 PolarHBondContact N-O 3.03Å; F208-L333 HydrophobicContact CD1-CB 4.1Å; F208-L333 HydrophobicContact CE1-CB 3.88Å; F208-L333 HydrophobicContact CE1-CD2 4.36Å; F208-V334 VanDerWaalsContact CE1-C 3.48Å
209N98.7Very high97.6Very high29 Ų2927.9 Ų27.916%0.15515%0.145CC..EExtended strand (participates in β ladder)trans-60.8131.5-174.4-64.372.3000109.8D249 W250 G251N209-D249 VanDerWaalsContact CB-O 3.3Å; N209-D249 WeakPolarHBondContact CB-O 3.19Å; N209-D249 PolarHBondContact N-O 3.2Å; N209-D249 VanDerWaalsContact O-O 3.12Å; N209-W250 HydrophobicContact CB-CG 4.42Å; N209-W250 CarbonylContact O-C 3.59Å; N209-W250 WeakPolarHBondContact O-CA 3.37Å; N209-G251 PolarHBondContact O-N 3.12Å
210H98.8Very high97.8Very high17 Ų1723.4 Ų23.48%0.07912%0.123CC..EExtended strand (participates in β ladder)trans-138.9133.6177.548.4-78.6000109.8Q19 D20 F208 G251 A253 Y256Q19-H210 PolarHBondContact NE2-O 3.09Å; D20-H210 IonicContact OD1-CD2 2.91Å; D20-H210 PolarHBondContact OD1-CD2 2.79Å; D20-H210 IonicContact OD1-NE2 3.49Å; D20-H210 PolarHBondContact OD1-NE2 2.81Å; D20-H210 IonicContact OD2-CD2 3.96Å; D20-H210 IonicContact OD2-NE2 3.78Å; D20-H210 PolarHBondContact OD2-NE2 3.43Å; D20-H210 VanDerWaalsContact OD2-NE2 3.13Å; F208-H210 PolarHBondContact O-N 2.8Å; F208-H210 PolarHBondContact O-ND1 2.85Å; H210-G251 CarbonylContact C-O 3.46Å; H210-G251 WeakPolarHBondContact CA-O 3.28Å; H210-A253 HydrophobicContact CB-CB 4.5Å; H210-Y256 HydrophobicContact CB-CD1 3.49Å; H210-Y256 VanDerWaalsContact CB-CD1 3.49Å; H210-Y256 HydrophobicContact CB-CD2 4.07Å; H210-Y256 HydrophobicContact CB-CE1 3.7Å; H210-Y256 HydrophobicContact CB-CE2 4.27Å; H210-Y256 HydrophobicContact CB-CG 3.69Å; H210-Y256 AromaticContact CG-CD1 3.41Å; H210-Y256 VanDerWaalsContact CG-CD1 3.41Å; H210-Y256 AromaticContact CG-CE1 3.95Å; H210-Y256 AromaticContact CG-CG 3.82Å; H210-Y256 AromaticContact ND1-CD1 3.27Å; H210-Y256 VanDerWaalsContact ND1-CD1 3.27Å; H210-Y256 WeakPolarHBondContact ND1-CD1 3.4Å; H210-Y256 AromaticContact ND1-CE1 3.7Å
211E98.8Very high97.9Very high3 Ų323 Ų231%0.01412%0.121CC..EExtended strand (participates in β ladder)trans-130.1168.3-162.5-46.1-67.7152.600108.9R215 T221 W250 G251 Y252 A253 L355 M359E211-R215 IonicContact OE1-CZ 3.99Å; E211-R215 IonicContact OE1-NE 3.66Å; E211-R215 IonicContact OE1-NH2 3.24Å; E211-R215 PolarHBondContact OE1-NH2 2.9Å; E211-R215 WeakPolarHBondContact OE2-CD 3.39Å; E211-R215 WeakPolarHBondContact OE2-CG 3.35Å; E211-R215 IonicContact OE2-CZ 2.8Å; E211-R215 IonicContact OE2-NE 3.58Å; E211-R215 PolarHBondContact OE2-NE 2.89Å; E211-R215 IonicContact OE2-NH2 2.72Å; E211-T221 HydrophobicContact CG-CG2 3.92Å; E211-T221 PolarHBondContact OE2-OG1 3.12Å; E211-W250 HydrophobicContact CG-CG 4.36Å; E211-G251 PolarHBondContact N-O 3.33Å; E211-Y252 WeakPolarHBondContact O-CD2 3.32Å; E211-A253 PolarHBondContact O-N 3.45Å; E211-L355 HydrophobicContact CB-CD1 4.4Å; E211-L355 HydrophobicContact CB-CD2 4.21Å; E211-M359 HydrophobicContact CB-SD 3.88Å
212S98.8Very high97.9Very high0 Ų022.5 Ų22.50%012%0.118CC..  trans-172.1171.4179.466.70000110.6Q19 R214 R215Q19-S212 VanDerWaalsContact CD-OG 3.28Å; Q19-S212 WeakPolarHBondContact CG-OG 3.25Å; Q19-S212 PolarHBondContact OE1-OG 3.28Å; S212-R214 PolarHBondContact O-N 3.24Å; S212-R214 WeakPolarHBondContact OG-CA 3.46Å; S212-R214 PolarHBondContact OG-N 3.41Å; S212-R215 VanDerWaalsContact O-CB 3.25Å; S212-R215 WeakPolarHBondContact O-CB 3.38Å; S212-R215 PolarHBondContact O-N 2.72Å; S212-R215 PolarHBondContact OG-N 3.11Å
213P98.4Very high97.8Very high24 Ų2424.5 Ų24.516%0.15613%0.127CC..THydrogen-bonded Turntrans-57.6-8.1163.4-27.737.5000115.6R222 M358 S362P213-R222 PolarHBondContact O-NH1 2.72Å; P213-R222 PolarHBondContact O-NH2 2.96Å; P213-M358 HydrophobicContact CG-CG 3.97Å; P213-M358 HydrophobicContact CG-SD 4.11Å; P213-S362 WeakPolarHBondContact CB-OG 3.42Å
214R97.9Very high97.8Very high51 Ų5124.6 Ų24.619%0.19213%0.127CC..THydrogen-bonded Turntrans-102.2-1.3175.3-62.6-174.1-178.5168.42.8113.4Q19 S22 Y23 E26 R66 H69 S212Q19-R214 HydrophobicContact CG-CB 4.42Å; S22-R214 VanDerWaalsContact OG-CD 3.3Å; S22-R214 WeakPolarHBondContact OG-CD 3.45Å; S22-R214 PolarHBondContact OG-NH1 2.89Å; S22-R214 VanDerWaalsContact OG-NH1 3.1Å; Y23-R214 HydrophobicContact CE2-CB 4.18Å; Y23-R214 HydrophobicContact CE2-CG 4.19Å; E26-R214 IonicContact OE1-CZ 3.55Å; E26-R214 IonicContact OE1-NH1 2.82Å; E26-R214 PolarHBondContact OE1-NH1 3.11Å; E26-R214 IonicContact OE1-NH2 2.73Å; E26-R214 PolarHBondContact OE1-NH2 3.37Å; E26-R214 IonicContact OE2-NH1 2.69Å; E26-R214 IonicContact OE2-NH2 2.97Å; R66-R214 PolarHBondContact NE-O 2.87Å; R66-R214 PolarHBondContact NH2-O 3.39Å; H69-R214 PolarHBondContact CE1-NH2 3.5Å; S212-R214 PolarHBondContact O-N 3.24Å; S212-R214 WeakPolarHBondContact OG-CA 3.46Å; S212-R214 PolarHBondContact OG-N 3.41Å
215R98.1Very high97.8Very high29 Ų2924.6 Ų24.611%0.10913%0.127CC..SBendtrans-56.2146.3-179.7-172.763.2160.2-179.6-13.2111.8Q19 E211 S212 F219 R222Q19-R215 VanDerWaalsContact OE1-CB 3.27Å; Q19-R215 VanDerWaalsContact OE1-CD 3.28Å; E211-R215 IonicContact OE1-CZ 3.99Å; E211-R215 IonicContact OE1-NE 3.66Å; E211-R215 IonicContact OE1-NH2 3.24Å; E211-R215 PolarHBondContact OE1-NH2 2.9Å; E211-R215 WeakPolarHBondContact OE2-CD 3.39Å; E211-R215 WeakPolarHBondContact OE2-CG 3.35Å; E211-R215 IonicContact OE2-CZ 2.8Å; E211-R215 IonicContact OE2-NE 3.58Å; E211-R215 PolarHBondContact OE2-NE 2.89Å; E211-R215 IonicContact OE2-NH2 2.72Å; S212-R215 VanDerWaalsContact O-CB 3.25Å; S212-R215 WeakPolarHBondContact O-CB 3.38Å; S212-R215 PolarHBondContact O-N 2.72Å; S212-R215 PolarHBondContact OG-N 3.11Å; R215-F219 HydrophobicContact CG-CB 3.95Å; R215-F219 HydrophobicContact CG-CD2 4.2Å; R215-F219 HydrophobicContact CG-CG 4.34Å; R215-R222 HydrophobicContact CB-CB 3.96Å; R215-R222 HydrophobicContact CB-CG 4.28Å; R215-R222 HydrophobicContact CG-CB 3.99Å; R215-R222 WeakPolarHBondContact O-CG 3.47Å; R215-R222 PolarHBondContact O-NH1 2.85Å
216G95.3Very high97.8Very high17 Ų1725.2 Ų25.218%0.17513%0.13CC..  trans-61.1137.5173.400000111.7T218 F219 R222G216-T218 PolarHBondContact O-N 3.42Å; G216-T218 VanDerWaalsContact O-N 3.11Å; G216-F219 WeakPolarHBondContact O-CD2 3.13Å; G216-F219 PolarHBondContact O-N 3.05Å; G216-F219 VanDerWaalsContact O-N 3.13Å; G216-R222 WeakPolarHBondContact O-CB 3.39Å
217E94.1Very high97.7Very high98 Ų9826.6 Ų26.646%0.45814%0.138SC..THydrogen-bonded Turntrans-66.1-18.1-170.2-53.7176.7-157.500114.4K223 R226E217-K223 WeakPolarHBondContact O-CB 3.22Å; E217-K223 PolarHBondContact O-N 3.25Å; E217-R226 IonicContact OE1-CZ 3.5Å; E217-R226 IonicContact OE1-NH1 3.6Å; E217-R226 IonicContact OE1-NH2 3.52Å; E217-R226 IonicContact OE2-CZ 2.73Å; E217-R226 IonicContact OE2-NE 3.6Å; E217-R226 PolarHBondContact OE2-NE 2.92Å; E217-R226 IonicContact OE2-NH2 2.83Å; E217-R226 PolarHBondContact OE2-NH2 2.83Å
218T93.3Very high97.7Very high96 Ų9626.3 Ų26.359%0.58914%0.137SC*.THydrogen-bonded Turntrans-84.3-16179.751.40000113.1H115 G216H115-T218 PolarHBondContact CD2-OG1 3.33Å; H115-T218 PolarHBondContact NE2-O 3.5Å; G216-T218 PolarHBondContact O-N 3.42Å; G216-T218 VanDerWaalsContact O-N 3.11Å
219F97.1Very high97.7Very high35 Ų3526.2 Ų26.215%0.15414%0.136CC..SBendtrans-72.6145.2171.9-67-82.9000110.5R215 G216 T221 R222 K223R215-F219 HydrophobicContact CG-CB 3.95Å; R215-F219 HydrophobicContact CG-CD2 4.2Å; R215-F219 HydrophobicContact CG-CG 4.34Å; G216-F219 WeakPolarHBondContact O-CD2 3.13Å; G216-F219 PolarHBondContact O-N 3.05Å; G216-F219 VanDerWaalsContact O-N 3.13Å; F219-T221 PolarHBondContact O-N 3.24Å; F219-R222 PolarHBondContact O-N 3.35Å; F219-K223 WeakPolarHBondContact O-CB 3.18Å; F219-K223 PolarHBondContact O-N 3.27Å
220V98Very high97.6Very high51 Ų5127.2 Ų27.231%0.30914%0.139SC..Hα-helixtrans-56.6-44.7-166.8660000113.7K223 I224 L241 W250 V282V220-K223 PolarHBondContact O-N 3.49Å; V220-I224 HydrophobicContact CG2-CD1 3.82Å; V220-I224 WeakPolarHBondContact O-CD1 3.4Å; V220-I224 WeakPolarHBondContact O-CG1 3.24Å; V220-I224 PolarHBondContact O-N 3.27Å; V220-L241 HydrophobicContact CG2-CD2 4.3Å; V220-W250 HydrophobicContact CG1-CZ2 4.23Å; V220-V282 HydrophobicContact CG2-CG1 3.79Å; V220-V282 HydrophobicContact CG2-CG2 4.2Å
221T98.5Very high97.6Very high0 Ų026.8 Ų26.80%014%0.138CC..Hα-helixtrans-59.2-52.4179.950.90000110.8E211 F219 I224 T225 W250 F285E211-T221 HydrophobicContact CG-CG2 3.92Å; E211-T221 PolarHBondContact OE2-OG1 3.12Å; F219-T221 PolarHBondContact O-N 3.24Å; T221-I224 WeakPolarHBondContact O-CB 3.36Å; T221-I224 PolarHBondContact O-N 3.47Å; T221-T225 WeakPolarHBondContact O-CG2 3.48Å; T221-T225 PolarHBondContact O-N 2.91Å; T221-T225 PolarHBondContact O-OG1 3.2Å; T221-W250 HydrophobicContact CG2-CD2 4.41Å; T221-W250 HydrophobicContact CG2-CZ2 4.1Å; T221-F285 HydrophobicContact CG2-CD2 3.91Å; T221-F285 HydrophobicContact CG2-CE1 4.4Å; T221-F285 HydrophobicContact CG2-CE2 3.52Å; T221-F285 HydrophobicContact CG2-CZ 3.8Å
222R98.1Very high97.5Very high16 Ų1631.1 Ų31.16%0.0616%0.158CC..Hα-helixtrans-70-34.8-179.1-165.866-172.1-86.716113P213 R215 G216 F219 I224 T225 R226 M359 D363P213-R222 PolarHBondContact O-NH1 2.72Å; P213-R222 PolarHBondContact O-NH2 2.96Å; R215-R222 HydrophobicContact CB-CB 3.96Å; R215-R222 HydrophobicContact CB-CG 4.28Å; R215-R222 HydrophobicContact CG-CB 3.99Å; R215-R222 WeakPolarHBondContact O-CG 3.47Å; R215-R222 PolarHBondContact O-NH1 2.85Å; G216-R222 WeakPolarHBondContact O-CB 3.39Å; F219-R222 PolarHBondContact O-N 3.35Å; R222-I224 VanDerWaalsContact C-N 3.32Å; R222-T225 PolarHBondContact O-OG1 3.06Å; R222-R226 HydrophobicContact CG-CG 4.19Å; R222-R226 VanDerWaalsContact O-CB 3.26Å; R222-R226 WeakPolarHBondContact O-CB 3.41Å; R222-R226 WeakPolarHBondContact O-CD 3.39Å; R222-R226 WeakPolarHBondContact O-CG 3.03Å; R222-R226 PolarHBondContact O-N 3.39Å; R222-M359 HydrophobicContact CB-CE 4.13Å; R222-D363 IonicContact CZ-OD1 3.85Å; R222-D363 VanDerWaalsContact CZ-OD1 3.26Å; R222-D363 IonicContact NE-OD1 3.95Å; R222-D363 PolarHBondContact NE-OD1 2.91Å; R222-D363 IonicContact NE-OD2 3.63Å; R222-D363 PolarHBondContact NE-OD2 2.95Å; R222-D363 VanDerWaalsContact NE-OD2 3.14Å; R222-D363 IonicContact NH2-OD1 2.73Å; R222-D363 PolarHBondContact NH2-OD1 3.39Å
223K98.1Very high97.5Very high42 Ų4233.4 Ų33.418%0.18317%0.169CC..Hα-helixtrans-58.6-47171.1179.2177.5173.7-176.40110.4E217 F219 V220 T227 E240 L241 F324E217-K223 WeakPolarHBondContact O-CB 3.22Å; E217-K223 PolarHBondContact O-N 3.25Å; F219-K223 WeakPolarHBondContact O-CB 3.18Å; F219-K223 PolarHBondContact O-N 3.27Å; V220-K223 PolarHBondContact O-N 3.49Å; K223-T227 WeakPolarHBondContact O-CB 3.3Å; K223-T227 PolarHBondContact O-N 2.77Å; K223-T227 VanDerWaalsContact O-N 3.08Å; K223-T227 PolarHBondContact O-OG1 3.4Å; K223-E240 WeakPolarHBondContact CE-O 3.48Å; K223-E240 PolarHBondContact NZ-O 3.03Å; K223-L241 HydrophobicContact CD-CD2 4.24Å; K223-F324 VanDerWaalsContact NZ-CE2 3.31Å
224I98.6Very high97.4Very high1 Ų135.3 Ų35.31%0.00519%0.194CC..Hα-helixtrans-61.9-56.4178.3-68.2160.8000110.4V220 T221 R222 R226 T227 V228 L241 V282 F285 V286 A289V220-I224 HydrophobicContact CG2-CD1 3.82Å; V220-I224 WeakPolarHBondContact O-CD1 3.4Å; V220-I224 WeakPolarHBondContact O-CG1 3.24Å; V220-I224 PolarHBondContact O-N 3.27Å; T221-I224 WeakPolarHBondContact O-CB 3.36Å; T221-I224 PolarHBondContact O-N 3.47Å; R222-I224 VanDerWaalsContact C-N 3.32Å; I224-R226 VanDerWaalsContact C-N 3.33Å; I224-R226 PolarHBondContact O-N 3.27Å; I224-T227 PolarHBondContact O-N 2.87Å; I224-V228 HydrophobicContact CG2-CG2 4.06Å; I224-V228 WeakPolarHBondContact O-CB 3.45Å; I224-V228 VanDerWaalsContact O-CG2 3.27Å; I224-V228 WeakPolarHBondContact O-CG2 3.28Å; I224-V228 PolarHBondContact O-N 3.13Å; I224-L241 HydrophobicContact CD1-CD1 4.12Å; I224-L241 HydrophobicContact CD1-CD2 4.44Å; I224-L241 HydrophobicContact CG1-CD1 3.96Å; I224-L241 HydrophobicContact CG1-CD2 3.93Å; I224-V282 HydrophobicContact CD1-CG1 4.15Å; I224-F285 HydrophobicContact CB-CD1 4.12Å; I224-F285 HydrophobicContact CB-CE1 4.11Å; I224-F285 HydrophobicContact CD1-CD1 3.72Å; I224-F285 HydrophobicContact CD1-CE1 4.4Å; I224-F285 HydrophobicContact CD1-CG 4.43Å; I224-F285 HydrophobicContact CG2-CD1 3.91Å; I224-F285 HydrophobicContact CG2-CE1 4.06Å; I224-V286 HydrophobicContact CD1-CG2 3.54Å; I224-V286 HydrophobicContact CG1-CG2 3.95Å; I224-V286 HydrophobicContact CG2-CG2 4.2Å; I224-A289 HydrophobicContact CG2-CB 3.77Å
225T98.7Very high97.3Very high0 Ų039 Ų390%021%0.209CC..Hα-helixtrans-62.1-39.8-173.957.50000112.6T221 R222 V228 A229 F285 M359 V360 D363T221-T225 WeakPolarHBondContact O-CG2 3.48Å; T221-T225 PolarHBondContact O-N 2.91Å; T221-T225 PolarHBondContact O-OG1 3.2Å; R222-T225 PolarHBondContact O-OG1 3.06Å; T225-V228 PolarHBondContact O-N 3.44Å; T225-A229 WeakPolarHBondContact O-CB 3.41Å; T225-A229 PolarHBondContact O-N 3.01Å; T225-F285 HydrophobicContact CG2-CE1 3.75Å; T225-F285 HydrophobicContact CG2-CZ 3.97Å; T225-M359 HydrophobicContact CG2-CB 3.66Å; T225-M359 HydrophobicContact CG2-CE 4.35Å; T225-V360 HydrophobicContact CG2-CG2 3.64Å; T225-D363 VanDerWaalsContact CB-OD2 3.26Å; T225-D363 WeakPolarHBondContact CB-OD2 3.38Å; T225-D363 PolarHBondContact OG1-OD2 3.47Å
226R98Very high97.2Very high13 Ų1339.1 Ų39.15%0.04922%0.216CC..Hα-helixtrans-65.5-43.6175.4-70.2171.357.876.7-0.4112.6E217 R222 I224 A229 K230 D363 M367 A373E217-R226 IonicContact OE1-CZ 3.5Å; E217-R226 IonicContact OE1-NH1 3.6Å; E217-R226 IonicContact OE1-NH2 3.52Å; E217-R226 IonicContact OE2-CZ 2.73Å; E217-R226 IonicContact OE2-NE 3.6Å; E217-R226 PolarHBondContact OE2-NE 2.92Å; E217-R226 IonicContact OE2-NH2 2.83Å; E217-R226 PolarHBondContact OE2-NH2 2.83Å; R222-R226 HydrophobicContact CG-CG 4.19Å; R222-R226 VanDerWaalsContact O-CB 3.26Å; R222-R226 WeakPolarHBondContact O-CB 3.41Å; R222-R226 WeakPolarHBondContact O-CD 3.39Å; R222-R226 WeakPolarHBondContact O-CG 3.03Å; R222-R226 PolarHBondContact O-N 3.39Å; I224-R226 VanDerWaalsContact C-N 3.33Å; I224-R226 PolarHBondContact O-N 3.27Å; R226-A229 PolarHBondContact O-N 2.92Å; R226-K230 WeakPolarHBondContact O-CG 3.44Å; R226-K230 PolarHBondContact O-N 3.4Å; R226-D363 HydrophobicContact CG-CB 4.25Å; R226-D363 VanDerWaalsContact CG-CG 3.41Å; R226-D363 WeakPolarHBondContact CG-OD1 3.23Å; R226-D363 VanDerWaalsContact CG-OD2 3.28Å; R226-D363 WeakPolarHBondContact CG-OD2 3.44Å; R226-D363 PolarHBondContact N-OD2 3.43Å; R226-M367 HydrophobicContact CG-CE 4.47Å; R226-M367 VanDerWaalsContact CZ-CE 3.49Å; R226-A373 PolarHBondContact NH1-OXT 3.01Å; R226-A373 PolarHBondContact NH2-O 3.19Å; R226-A373 PolarHBondContact NH2-OXT 3.1Å
227T97.7Very high97.3Very high29 Ų2945.3 Ų45.318%0.17824%0.24CC..Hα-helixtrans-69.9-38.2178.2-55.50000111.5K223 I224 A229 K230 I231 A236 V239K223-T227 WeakPolarHBondContact O-CB 3.3Å; K223-T227 PolarHBondContact O-N 2.77Å; K223-T227 VanDerWaalsContact O-N 3.08Å; K223-T227 PolarHBondContact O-OG1 3.4Å; I224-T227 PolarHBondContact O-N 2.87Å; T227-A229 PolarHBondContact O-N 3.16Å; T227-K230 PolarHBondContact O-N 2.89Å; T227-I231 HydrophobicContact CG2-CD1 4.02Å; T227-I231 HydrophobicContact CG2-CG1 4.36Å; T227-I231 VanDerWaalsContact O-CG1 3.27Å; T227-I231 WeakPolarHBondContact O-CG1 3.44Å; T227-I231 PolarHBondContact O-N 2.89Å; T227-A236 HydrophobicContact CG2-CB 4.41Å; T227-V239 HydrophobicContact CG2-CB 3.57Å; T227-V239 HydrophobicContact CG2-CG2 3.98Å
228V98.4Very high97.5Very high0 Ų043.8 Ų43.80%023%0.232CC..Hα-helixtrans-60-45.1173.1169.70000110.8I224 T225 K230 I231 H232 A289 F290 I293 V360I224-V228 HydrophobicContact CG2-CG2 4.06Å; I224-V228 WeakPolarHBondContact O-CB 3.45Å; I224-V228 VanDerWaalsContact O-CG2 3.27Å; I224-V228 WeakPolarHBondContact O-CG2 3.28Å; I224-V228 PolarHBondContact O-N 3.13Å; T225-V228 PolarHBondContact O-N 3.44Å; V228-K230 PolarHBondContact O-N 3.4Å; V228-I231 PolarHBondContact O-N 3.05Å; V228-H232 WeakPolarHBondContact O-CB 3.35Å; V228-H232 PolarHBondContact O-N 2.73Å; V228-A289 HydrophobicContact CG2-CB 4.13Å; V228-F290 HydrophobicContact CG2-CD1 4.46Å; V228-F290 HydrophobicContact CG2-CD2 3.87Å; V228-F290 HydrophobicContact CG2-CE1 4.25Å; V228-F290 HydrophobicContact CG2-CE2 3.63Å; V228-F290 HydrophobicContact CG2-CG 4.28Å; V228-F290 HydrophobicContact CG2-CZ 3.82Å; V228-I293 HydrophobicContact CG1-CD1 3.78Å; V228-I293 HydrophobicContact CG1-CG1 3.99Å; V228-I293 HydrophobicContact CG1-CG2 3.92Å; V228-V360 HydrophobicContact CG1-CG1 4.46Å
229A98.3Very high97.7Very high0 Ų039.3 Ų39.30%020%0.204CC..Hα-helixtrans-59.5-44.7173.800000112.2T225 R226 T227 I231 H232 L233 D363 I364 M367T225-A229 WeakPolarHBondContact O-CB 3.41Å; T225-A229 PolarHBondContact O-N 3.01Å; R226-A229 PolarHBondContact O-N 2.92Å; T227-A229 PolarHBondContact O-N 3.16Å; A229-I231 VanDerWaalsContact C-N 3.34Å; A229-I231 PolarHBondContact O-N 3.41Å; A229-H232 PolarHBondContact O-N 3.25Å; A229-L233 WeakPolarHBondContact O-CG 3.4Å; A229-L233 PolarHBondContact O-N 3.2Å; A229-L233 VanDerWaalsContact O-N 3.07Å; A229-D363 HydrophobicContact CB-CB 3.87Å; A229-I364 HydrophobicContact CB-CB 4.45Å; A229-I364 HydrophobicContact CB-CG1 3.71Å; A229-M367 HydrophobicContact CB-CG 4.24Å
230K97.8Very high97.7Very high50 Ų5041 Ų4122%0.21721%0.213CC..Hα-helixtrans-62.3-39174.9-73.9178.8-179.1-178.10112R226 T227 V228 L233 G234 Y235 A236 M367 A373R226-K230 WeakPolarHBondContact O-CG 3.44Å; R226-K230 PolarHBondContact O-N 3.4Å; T227-K230 PolarHBondContact O-N 2.89Å; V228-K230 PolarHBondContact O-N 3.4Å; K230-L233 PolarHBondContact O-N 2.78Å; K230-G234 PolarHBondContact O-N 3.46Å; K230-G234 VanDerWaalsContact O-N 3.09Å; K230-Y235 PolarHBondContact O-N 2.91Å; K230-A236 HydrophobicContact CB-CB 3.82Å; K230-A236 PolarHBondContact O-N 3.18Å; K230-M367 HydrophobicContact CD-SD 4.27Å; K230-M367 WeakPolarHBondContact CE-SD 3.4Å; K230-M367 HydrophobicContact CG-CG 4.22Å; K230-M367 HydrophobicContact CG-SD 3.94Å; K230-A373 PolarHBondContact NZ-O 3.09Å; K230-A373 VanDerWaalsContact NZ-O 3.08Å
231I97.6Very high97.7Very high8 Ų838.8 Ų38.84%0.04120%0.199CC..Hα-helixtrans-64.2-46.6175.6-71.4165000110.9T227 V228 A229 L233 G234 A236 F290 R317T227-I231 HydrophobicContact CG2-CD1 4.02Å; T227-I231 HydrophobicContact CG2-CG1 4.36Å; T227-I231 VanDerWaalsContact O-CG1 3.27Å; T227-I231 WeakPolarHBondContact O-CG1 3.44Å; T227-I231 PolarHBondContact O-N 2.89Å; V228-I231 PolarHBondContact O-N 3.05Å; A229-I231 VanDerWaalsContact C-N 3.34Å; A229-I231 PolarHBondContact O-N 3.41Å; I231-L233 PolarHBondContact O-N 2.69Å; I231-G234 PolarHBondContact O-N 2.86Å; I231-A236 WeakPolarHBondContact CA-O 3.33Å; I231-A236 HydrophobicContact CG1-CB 4Å; I231-A236 WeakPolarHBondContact CG1-O 3.16Å; I231-F290 HydrophobicContact CD1-CE1 4.01Å; I231-F290 HydrophobicContact CD1-CZ 3.71Å; I231-F290 HydrophobicContact CG2-CE1 4.32Å; I231-R317 VanDerWaalsContact CG2-CZ 3.44Å
232H97.7Very high97.6Very high94 Ų9439.3 Ų39.344%0.43520%0.204SC..Hα-helixtrans-58.6-38178.7-177.865.7000112.3V228 A229 I293V228-H232 WeakPolarHBondContact O-CB 3.35Å; V228-H232 PolarHBondContact O-N 2.73Å; A229-H232 PolarHBondContact O-N 3.25Å; H232-I293 HydrophobicContact CB-CB 4.19Å; H232-I293 HydrophobicContact CB-CD1 3.91Å; H232-I293 HydrophobicContact CB-CG2 3.89Å
233L97.6Very high97.6Very high47 Ų4740 Ų4025%0.24621%0.21CC..THydrogen-bonded Turntrans-87.81178.6-61.4173.8000113.9A229 K230 I231 Y235 M367 K368A229-L233 WeakPolarHBondContact O-CG 3.4Å; A229-L233 PolarHBondContact O-N 3.2Å; A229-L233 VanDerWaalsContact O-N 3.07Å; K230-L233 PolarHBondContact O-N 2.78Å; I231-L233 PolarHBondContact O-N 2.69Å; L233-Y235 HydrophobicContact CB-CD2 3.71Å; L233-Y235 HydrophobicContact CB-CE2 3.62Å; L233-Y235 HydrophobicContact CB-CG 4.48Å; L233-Y235 HydrophobicContact CD1-CD2 4.36Å; L233-Y235 HydrophobicContact CD1-CE2 3.96Å; L233-Y235 HydrophobicContact CG-CE2 4.44Å; L233-M367 HydrophobicContact CD1-CB 3.45Å; L233-M367 VanDerWaalsContact CD1-CB 3.45Å; L233-K368 HydrophobicContact CD1-CG 4.11Å; L233-K368 HydrophobicContact CD2-CG 4.06Å
234G96.3Very high97.5Very high65 Ų6538.2 Ų38.267%0.6720%0.202SC*.THydrogen-bonded Turntrans78.514.6177.900000115.7K230 I231K230-G234 PolarHBondContact O-N 3.46Å; K230-G234 VanDerWaalsContact O-N 3.09Å; I231-G234 PolarHBondContact O-N 2.86Å
235Y96.3Very high97.5Very high128 Ų12843 Ų4350%0.50223%0.227SC..SBendtrans-89.9-11.8177.7-56.1-43.1000114.1K230 L233 P371K230-Y235 PolarHBondContact O-N 2.91Å; L233-Y235 HydrophobicContact CB-CD2 3.71Å; L233-Y235 HydrophobicContact CB-CE2 3.62Å; L233-Y235 HydrophobicContact CB-CG 4.48Å; L233-Y235 HydrophobicContact CD1-CD2 4.36Å; L233-Y235 HydrophobicContact CD1-CE2 3.96Å; L233-Y235 HydrophobicContact CG-CE2 4.44Å; Y235-P371 HydrophobicContact CD2-CB 4.13Å; Y235-P371 HydrophobicContact CE1-CB 4.35Å; Y235-P371 HydrophobicContact CE2-CB 3.69Å; Y235-P371 HydrophobicContact CE2-CG 3.95Å
236A96.3Very high97.4Very high31 Ų3143.2 Ų43.226%0.25623%0.229SC..  trans-144.9158.617600000110.7T227 K230 I231T227-A236 HydrophobicContact CG2-CB 4.41Å; K230-A236 HydrophobicContact CB-CB 3.82Å; K230-A236 PolarHBondContact O-N 3.18Å; I231-A236 WeakPolarHBondContact CA-O 3.33Å; I231-A236 HydrophobicContact CG1-CB 4Å; I231-A236 WeakPolarHBondContact CG1-O 3.16Å
237E97Very high97.4Very high147 Ų14746.9 Ų46.969%0.68725%0.246SC*.SBendtrans-101.9-40.8178.8-65.3-165.5144.300113.1R317E237-R317 WeakPolarHBondContact O-CD 3.2Å; E237-R317 PolarHBondContact O-NH1 2.83Å
238F97.9Very high97.5Very high66 Ų6646.2 Ų46.229%0.28924%0.24SC..  trans-147.1161.8-175.759.9-92000112.3E240 R317 K319F238-E240 HydrophobicContact CD2-CG 3.91Å; F238-E240 HydrophobicContact CE2-CG 3.63Å; F238-R317 CarbonylContact C-O 3.59Å; F238-R317 WeakPolarHBondContact CA-O 3.36Å; F238-R317 WeakPolarHBondContact CB-O 3.31Å; F238-K319 HydrophobicContact CD2-CD 3.85Å; F238-K319 HydrophobicContact CD2-CG 4.25Å; F238-K319 HydrophobicContact CE2-CD 3.89Å; F238-K319 HydrophobicContact CG-CD 4.26Å; F238-K319 HydrophobicContact CZ-CD 4.33Å
239V97.9Very high97.5Very high2 Ų246.2 Ų46.21%0.01224%0.24CC..EExtended strand (participates in β ladder)trans-106.1137.1167.965.70000110.3T227 L241 F290 R317 V318 K319T227-V239 HydrophobicContact CG2-CB 3.57Å; T227-V239 HydrophobicContact CG2-CG2 3.98Å; V239-L241 HydrophobicContact CG1-CD1 4.32Å; V239-L241 HydrophobicContact CG1-CG 4.44Å; V239-L241 HydrophobicContact CG2-CD2 4.04Å; V239-L241 HydrophobicContact CG2-CG 4.13Å; V239-F290 HydrophobicContact CG1-CE2 4.45Å; V239-R317 PolarHBondContact N-O 3.3Å; V239-V318 HydrophobicContact CG1-CB 4.36Å; V239-V318 HydrophobicContact CG1-CG1 4.12Å; V239-V318 HydrophobicContact CG1-CG2 4.03Å; V239-V318 WeakPolarHBondContact O-CA 3.47Å; V239-K319 PolarHBondContact O-N 2.77Å
240E97.6Very high97.5Very high72 Ų7246.4 Ų46.434%0.33624%0.241SC..EExtended strand (participates in β ladder)trans-100.6130.9171.1-64-173.4103.800110.7K223 F238 K319 N321 F324K223-E240 WeakPolarHBondContact CE-O 3.48Å; K223-E240 PolarHBondContact NZ-O 3.03Å; F238-E240 HydrophobicContact CD2-CG 3.91Å; F238-E240 HydrophobicContact CE2-CG 3.63Å; E240-K319 CarbonylContact C-O 3.54Å; E240-K319 VanDerWaalsContact CA-O 3.3Å; E240-K319 WeakPolarHBondContact CA-O 3.38Å; E240-K319 HydrophobicContact CG-CB 4.42Å; E240-N321 HydrophobicContact CB-CB 4.17Å; E240-N321 PolarHBondContact OE1-ND2 2.97Å; E240-F324 HydrophobicContact CB-CD2 4.42Å; E240-F324 HydrophobicContact CB-CE2 3.74Å
241L98.1Very high97.6Very high4 Ų444 Ų442%0.02123%0.23CC..EExtended strand (participates in β ladder)trans-130.7168.2-177.9-63.5173000111.4V220 K223 I224 V239 L244 V282 V286 V318 K319 V320 N321V220-L241 HydrophobicContact CG2-CD2 4.3Å; K223-L241 HydrophobicContact CD-CD2 4.24Å; I224-L241 HydrophobicContact CD1-CD1 4.12Å; I224-L241 HydrophobicContact CD1-CD2 4.44Å; I224-L241 HydrophobicContact CG1-CD1 3.96Å; I224-L241 HydrophobicContact CG1-CD2 3.93Å; V239-L241 HydrophobicContact CG1-CD1 4.32Å; V239-L241 HydrophobicContact CG1-CG 4.44Å; V239-L241 HydrophobicContact CG2-CD2 4.04Å; V239-L241 HydrophobicContact CG2-CG 4.13Å; L241-L244 HydrophobicContact CB-CD2 4.06Å; L241-L244 HydrophobicContact CD1-CD2 3.77Å; L241-V282 HydrophobicContact CD1-CG1 4.36Å; L241-V286 HydrophobicContact CD1-CG2 3.46Å; L241-V286 VanDerWaalsContact CD1-CG2 3.46Å; L241-V318 HydrophobicContact CD1-CG1 4.15Å; L241-K319 PolarHBondContact N-O 2.87Å; L241-V320 CarbonylContact O-C 3.58Å; L241-V320 WeakPolarHBondContact O-CA 3.38Å; L241-N321 PolarHBondContact O-N 2.77Å
242G96.5Very high97.6Very high10 Ų1044.8 Ų44.810%0.10323%0.233CC..SBendtrans-94.1-118.4174.100000110.8L244G242-L244 PolarHBondContact O-N 3.27Å; G242-L244 VanDerWaalsContact O-N 3.17Å
243N96.5Very high97.7Very high32 Ų3240.3 Ų40.317%0.17121%0.212CC..  trans-70.6105.8179.5-176.17.5000112.3N245 A246 F325 E329N243-N245 VanDerWaalsContact C-N 3.28Å; N243-N245 PolarHBondContact O-N 2.72Å; N243-N245 WeakPolarHBondContact OD1-CB 3.17Å; N243-N245 PolarHBondContact OD1-N 3.34Å; N243-A246 HydrophobicContact CB-CB 4.43Å; N243-A246 PolarHBondContact OD1-N 3.1Å; N243-F325 HydrophobicContact CB-CD1 4.11Å; N243-F325 HydrophobicContact CB-CE1 3.79Å; N243-F325 HydrophobicContact CB-CZ 4.41Å; N243-E329 WeakPolarHBondContact CB-OE2 3.28Å; N243-E329 WeakPolarHBondContact ND2-CG 3.3Å; N243-E329 PolarHBondContact ND2-OE2 3.47Å
244L97.6Very high97.7Very high4 Ų443.5 Ų43.52%0.02122%0.221CC..THydrogen-bonded Turntrans-73.1-19.8175.4-66.1174.6000113.3L241 G242 V282 R283 W299 V320L241-L244 HydrophobicContact CB-CD2 4.06Å; L241-L244 HydrophobicContact CD1-CD2 3.77Å; G242-L244 PolarHBondContact O-N 3.27Å; G242-L244 VanDerWaalsContact O-N 3.17Å; L244-V282 HydrophobicContact CD2-CG1 4.13Å; L244-V282 PolarHBondContact O-N 3.21Å; L244-R283 HydrophobicContact CB-CB 4.39Å; L244-R283 WeakPolarHBondContact O-CB 3.29Å; L244-R283 PolarHBondContact O-N 3.3Å; L244-W299 HydrophobicContact CD1-CE3 4.14Å; L244-W299 HydrophobicContact CD1-CH2 3.91Å; L244-W299 HydrophobicContact CD1-CZ3 3.49Å; L244-W299 VanDerWaalsContact CD1-CZ3 3.49Å; L244-W299 HydrophobicContact CD2-CH2 4.24Å; L244-V320 HydrophobicContact CD1-CG2 3.71Å; L244-V320 HydrophobicContact CG-CG2 4.18Å
245N97.4Very high97.8Very high101 Ų10141 Ų4154%0.5419%0.192SC..THydrogen-bonded Turntrans-91.3-8-174.3-61.3-44.5000113.3N243 K247 R283N243-N245 VanDerWaalsContact C-N 3.28Å; N243-N245 PolarHBondContact O-N 2.72Å; N243-N245 WeakPolarHBondContact OD1-CB 3.17Å; N243-N245 PolarHBondContact OD1-N 3.34Å; N245-K247 PolarHBondContact O-N 2.78Å; N245-R283 PolarHBondContact OD1-NH2 2.82Å
246A97.3Very high97.9Very high5 Ų534.9 Ų34.94%0.04117%0.168CC..  trans-59.8130.1174.700000110.3N243 S281 V282N243-A246 HydrophobicContact CB-CB 4.43Å; N243-A246 PolarHBondContact OD1-N 3.1Å; A246-S281 CarbonylContact O-C 3.2Å; A246-S281 VanDerWaalsContact O-CA 3.28Å; A246-S281 WeakPolarHBondContact O-CA 3.38Å; A246-V282 HydrophobicContact CB-CG2 4.21Å; A246-V282 PolarHBondContact O-N 3.01Å
247K98.5Very high98Very high90 Ų9033.4 Ų33.439%0.39116%0.156SC..EExtended strand (participates in β ladder)trans-109.3135.2-179.8-66.4-170175.9-166.50112.1N245 H280 D331 L332 L333N245-K247 PolarHBondContact O-N 2.78Å; K247-H280 CarbonylContact C-O 3.53Å; K247-H280 VanDerWaalsContact CA-O 3.25Å; K247-H280 WeakPolarHBondContact CA-O 3.48Å; K247-D331 PolarHBondContact N-O 2.81Å; K247-L332 HydrophobicContact CB-CD1 3.61Å; K247-L332 HydrophobicContact CD-CD1 4.1Å; K247-L332 HydrophobicContact CG-CD1 4.46Å; K247-L333 PolarHBondContact O-N 2.87Å; K247-L333 VanDerWaalsContact O-N 3.16Å
248R98.6Very high98.1Very high14 Ų1429.7 Ų29.75%0.05314%0.138CC..EExtended strand (participates in β ladder)trans-137.9147.9-177.1-62-64.4179.6-84-0.3110.5W250 T279 H280 E329 V330 L333R248-W250 HydrophobicContact CB-CD2 3.73Å; R248-W250 VanDerWaalsContact CB-CE2 3.47Å; R248-W250 HydrophobicContact CB-CE3 4.06Å; R248-W250 HydrophobicContact CB-CG 4.33Å; R248-W250 HydrophobicContact CB-CH2 3.98Å; R248-W250 HydrophobicContact CB-CZ2 3.61Å; R248-W250 HydrophobicContact CB-CZ3 4.19Å; R248-W250 HydrophobicContact CG-CH2 4.29Å; R248-W250 HydrophobicContact CG-CZ2 3.76Å; R248-T279 VanDerWaalsContact C-OG1 3.32Å; R248-T279 PolarHBondContact N-OG1 3.09Å; R248-T279 WeakPolarHBondContact O-CA 3.49Å; R248-T279 PolarHBondContact O-OG1 3.44Å; R248-H280 PolarHBondContact N-O 2.85Å; R248-H280 PolarHBondContact O-N 3.44Å; R248-E329 IonicContact NH2-OE1 3.13Å; R248-V330 PolarHBondContact NH1-O 2.92Å; R248-V330 PolarHBondContact NH2-O 3.32Å; R248-L333 CarbonylContact C-O 3.55Å
249D98.8Very high98.1Very high0 Ų026.5 Ų26.50%013%0.125CC..  trans-89.6110.8165.9174.3-43.8000108.2F208 N209 S275 T276 G277 E278 L333 G335F208-D249 HydrophobicContact CB-CB 4.38Å; F208-D249 HydrophobicContact CD1-CB 3.87Å; F208-D249 HydrophobicContact CG-CB 4.46Å; N209-D249 VanDerWaalsContact CB-O 3.3Å; N209-D249 WeakPolarHBondContact CB-O 3.19Å; N209-D249 PolarHBondContact N-O 3.2Å; N209-D249 VanDerWaalsContact O-O 3.12Å; D249-S275 WeakPolarHBondContact OD2-CB 3.45Å; D249-T276 PolarHBondContact OD1-N 3.02Å; D249-T276 PolarHBondContact OD1-OG1 3.02Å; D249-T276 VanDerWaalsContact OD1-OG1 3.05Å; D249-T276 PolarHBondContact OD2-N 3.31Å; D249-G277 WeakPolarHBondContact OD2-CA 3.38Å; D249-G277 PolarHBondContact OD2-N 2.72Å; D249-E278 WeakPolarHBondContact CA-O 3.48Å; D249-E278 WeakPolarHBondContact CB-O 3.42Å; D249-L333 PolarHBondContact N-O 3.28Å; D249-G335 PolarHBondContact OD2-N 3.34Å
250W98.8Very high98.2Very high5 Ų526.4 Ų26.42%0.01912%0.124CC..EExtended strand (participates in β ladder)trans-113.3112.7-172.9-76.8-61.4000110.9N209 E211 V220 T221 R248 T276 H280 V282 F285 F352 L355N209-W250 HydrophobicContact CB-CG 4.42Å; N209-W250 CarbonylContact O-C 3.59Å; N209-W250 WeakPolarHBondContact O-CA 3.37Å; E211-W250 HydrophobicContact CG-CG 4.36Å; V220-W250 HydrophobicContact CG1-CZ2 4.23Å; T221-W250 HydrophobicContact CG2-CD2 4.41Å; T221-W250 HydrophobicContact CG2-CZ2 4.1Å; R248-W250 HydrophobicContact CB-CD2 3.73Å; R248-W250 VanDerWaalsContact CB-CE2 3.47Å; R248-W250 HydrophobicContact CB-CE3 4.06Å; R248-W250 HydrophobicContact CB-CG 4.33Å; R248-W250 HydrophobicContact CB-CH2 3.98Å; R248-W250 HydrophobicContact CB-CZ2 3.61Å; R248-W250 HydrophobicContact CB-CZ3 4.19Å; R248-W250 HydrophobicContact CG-CH2 4.29Å; R248-W250 HydrophobicContact CG-CZ2 3.76Å; W250-T276 WeakPolarHBondContact O-CG2 3.39Å; W250-H280 HydrophobicContact CE3-CB 4.15Å; W250-H280 HydrophobicContact CZ3-CB 3.92Å; W250-H280 WeakPolarHBondContact CZ3-O 3.15Å; W250-V282 HydrophobicContact CH2-CG2 4.13Å; W250-V282 HydrophobicContact CZ2-CG2 4.44Å; W250-F285 HydrophobicContact CE3-CD2 4.37Å; W250-F285 HydrophobicContact CH2-CB 4.36Å; W250-F285 HydrophobicContact CZ3-CB 4.32Å; W250-F285 HydrophobicContact CZ3-CD2 4.35Å; W250-F352 HydrophobicContact CB-CD2 4.42Å; W250-F352 HydrophobicContact CD2-CE2 4.36Å; W250-F352 HydrophobicContact CE3-CD2 4.18Å; W250-F352 AromaticContact CE3-CE2 3.49Å; W250-F352 HydrophobicContact CE3-CE2 3.49Å; W250-F352 VanDerWaalsContact CE3-CE2 3.49Å; W250-F352 HydrophobicContact CE3-CZ 4.35Å; W250-F352 AromaticContact CZ3-CE2 3.96Å; W250-F352 HydrophobicContact CZ3-CE2 3.96Å; W250-F352 HydrophobicContact CZ3-CZ 4.41Å; W250-L355 HydrophobicContact CB-CD2 4.23Å
251G98.7Very high98.2Very high0 Ų024.6 Ų24.60%011%0.114CC..EExtended strand (participates in β ladder)trans-107.9-178.5171.400000113.9N209 H210 E211 T276 L355N209-G251 PolarHBondContact O-N 3.12Å; H210-G251 CarbonylContact C-O 3.46Å; H210-G251 WeakPolarHBondContact CA-O 3.28Å; E211-G251 PolarHBondContact N-O 3.33Å; G251-T276 VanDerWaalsContact CA-CG2 3.48Å; G251-L355 WeakPolarHBondContact O-CD2 3.13Å
252Y98.8Very high98.2Very high24 Ų2425.7 Ų25.79%0.09412%0.12CC..EExtended strand (participates in β ladder)trans-95.1127.3177.5-179.2-137.8000111.6E211 R254 D255 Y256 V350 L355 M358E211-Y252 WeakPolarHBondContact O-CD2 3.32Å; Y252-R254 HydrophobicContact CD1-CB 3.73Å; Y252-R254 HydrophobicContact CE1-CB 3.31Å; Y252-R254 HydrophobicContact CE1-CG 4.23Å; Y252-R254 HydrophobicContact CE2-CB 4.39Å; Y252-R254 HydrophobicContact CG-CB 4.45Å; Y252-R254 PolarHBondContact O-N 2.89Å; Y252-R254 VanDerWaalsContact O-N 3.12Å; Y252-D255 WeakPolarHBondContact O-CB 3.24Å; Y252-D255 PolarHBondContact O-N 3.14Å; Y252-Y256 VanDerWaalsContact O-CD2 3.25Å; Y252-Y256 WeakPolarHBondContact O-CD2 2.94Å; Y252-Y256 PolarHBondContact O-N 3.19Å; Y252-V350 HydrophobicContact CD1-CB 4.29Å; Y252-V350 HydrophobicContact CD1-CG2 3.49Å; Y252-V350 VanDerWaalsContact CD1-CG2 3.49Å; Y252-V350 HydrophobicContact CE1-CG2 4.27Å; Y252-V350 HydrophobicContact CG-CB 4.27Å; Y252-V350 HydrophobicContact CG-CG2 3.95Å; Y252-L355 HydrophobicContact CD2-CD1 3.97Å; Y252-M358 HydrophobicContact CD2-SD 4.37Å; Y252-M358 HydrophobicContact CE1-CE 4.35Å; Y252-M358 HydrophobicContact CE2-CE 4.3Å; Y252-M358 HydrophobicContact CE2-SD 3.69Å
253A98.7Very high98.3Very high0 Ų025.3 Ų25.30%012%0.115CC..Hα-helixtrans-57.7-31.4-17400000114.2Q19 Y23 H210 E211 D255 Y256 V257Q19-A253 HydrophobicContact CG-CB 3.83Å; Y23-A253 HydrophobicContact CD2-CB 4.05Å; Y23-A253 HydrophobicContact CE2-CB 4.22Å; H210-A253 HydrophobicContact CB-CB 4.5Å; E211-A253 PolarHBondContact O-N 3.45Å; A253-D255 VanDerWaalsContact C-N 3.35Å; A253-Y256 PolarHBondContact O-N 2.83Å; A253-V257 PolarHBondContact O-N 2.88Å; A253-V257 VanDerWaalsContact O-N 3.13Å
254R98.2Very high98.4Very high114 Ų11423.8 Ų23.843%0.4311%0.107SC..Hα-helixtrans-66.8-35.9178.3-173.7172.4-83.4-158.9-9.3112.3Y23 E26 Y252 Y256 V257Y23-R254 HydrophobicContact CD1-CB 4.25Å; Y23-R254 HydrophobicContact CD1-CG 4.39Å; Y23-R254 HydrophobicContact CE1-CB 4.47Å; Y23-R254 HydrophobicContact CG-CB 4.48Å; E26-R254 IonicContact OE2-CZ 3.73Å; E26-R254 IonicContact OE2-NH2 3.57Å; E26-R254 PolarHBondContact OE2-NH2 2.97Å; Y252-R254 HydrophobicContact CD1-CB 3.73Å; Y252-R254 HydrophobicContact CE1-CB 3.31Å; Y252-R254 HydrophobicContact CE1-CG 4.23Å; Y252-R254 HydrophobicContact CE2-CB 4.39Å; Y252-R254 HydrophobicContact CG-CB 4.45Å; Y252-R254 PolarHBondContact O-N 2.89Å; Y252-R254 VanDerWaalsContact O-N 3.12Å; R254-Y256 VanDerWaalsContact C-N 3.28Å; R254-V257 WeakPolarHBondContact O-CG2 3.37Å
255D98.5Very high98.3Very high11 Ų1126.3 Ų26.36%0.05912%0.119CC..Hα-helixtrans-68.8-35.1175.8-62-2.9000110.2Y252 A253 E258 W346 T349 V350Y252-D255 WeakPolarHBondContact O-CB 3.24Å; Y252-D255 PolarHBondContact O-N 3.14Å; A253-D255 VanDerWaalsContact C-N 3.35Å; D255-E258 PolarHBondContact O-N 3.08Å; D255-W346 HydrophobicContact CB-CZ2 4.41Å; D255-W346 PolarHBondContact O-NE1 3.18Å; D255-T349 VanDerWaalsContact CG-OG1 3.24Å; D255-T349 PolarHBondContact OD1-OG1 2.66Å; D255-T349 WeakPolarHBondContact OD2-CA 3.34Å; D255-T349 PolarHBondContact OD2-N 2.85Å; D255-T349 PolarHBondContact OD2-OG1 2.97Å; D255-V350 PolarHBondContact OD2-N 2.78Å
256Y98.8Very high98.3Very high0 Ų023.5 Ų23.50%010%0.102CC..Hα-helixtrans-75.5-33.1-174.1-78.6-133.9000111.8L207 F208 H210 Y252 A253 R254 E258 A259 M260 I274 S275 T276 W346L207-Y256 HydrophobicContact CB-CD1 4.11Å; L207-Y256 HydrophobicContact CD2-CD1 3.88Å; L207-Y256 HydrophobicContact CD2-CG 4.44Å; L207-Y256 HydrophobicContact CG-CD1 3.74Å; L207-Y256 HydrophobicContact CG-CE1 4.47Å; F208-Y256 WeakPolarHBondContact O-CE1 3.24Å; H210-Y256 HydrophobicContact CB-CD1 3.49Å; H210-Y256 VanDerWaalsContact CB-CD1 3.49Å; H210-Y256 HydrophobicContact CB-CD2 4.07Å; H210-Y256 HydrophobicContact CB-CE1 3.7Å; H210-Y256 HydrophobicContact CB-CE2 4.27Å; H210-Y256 HydrophobicContact CB-CG 3.69Å; H210-Y256 AromaticContact CG-CD1 3.41Å; H210-Y256 VanDerWaalsContact CG-CD1 3.41Å; H210-Y256 AromaticContact CG-CE1 3.95Å; H210-Y256 AromaticContact CG-CG 3.82Å; H210-Y256 AromaticContact ND1-CD1 3.27Å; H210-Y256 VanDerWaalsContact ND1-CD1 3.27Å; H210-Y256 WeakPolarHBondContact ND1-CD1 3.4Å; H210-Y256 AromaticContact ND1-CE1 3.7Å; Y252-Y256 VanDerWaalsContact O-CD2 3.25Å; Y252-Y256 WeakPolarHBondContact O-CD2 2.94Å; Y252-Y256 PolarHBondContact O-N 3.19Å; A253-Y256 PolarHBondContact O-N 2.83Å; R254-Y256 VanDerWaalsContact C-N 3.28Å; Y256-E258 VanDerWaalsContact C-N 3.27Å; Y256-E258 PolarHBondContact O-N 3.26Å; Y256-A259 WeakPolarHBondContact O-CB 3.39Å; Y256-A259 PolarHBondContact O-N 3.18Å; Y256-M260 WeakPolarHBondContact O-CG 3.39Å; Y256-M260 PolarHBondContact O-N 2.82Å; Y256-I274 HydrophobicContact CD1-CG2 3.7Å; Y256-I274 HydrophobicContact CD2-CG2 4.28Å; Y256-I274 HydrophobicContact CE1-CG2 3.87Å; Y256-I274 HydrophobicContact CE2-CG2 4.41Å; Y256-I274 HydrophobicContact CG-CG2 3.93Å; Y256-S275 WeakPolarHBondContact OH-CA 3.42Å; Y256-T276 PolarHBondContact OH-N 3.27Å; Y256-W346 HydrophobicContact CD2-CH2 4.4Å; Y256-W346 AromaticContact CD2-CZ2 3.89Å; Y256-W346 HydrophobicContact CD2-CZ2 3.89Å; Y256-W346 HydrophobicContact CE2-CH2 4.02Å; Y256-W346 AromaticContact CE2-CZ2 3.95Å; Y256-W346 HydrophobicContact CE2-CZ2 3.95Å
257V98.6Very high98.3Very high0 Ų030.7 Ų30.70%014%0.14CC..Hα-helixtrans-68-27.4175.5-63.10000112.8D20 L24 F27 A253 R254 M260 W261D20-V257 HydrophobicContact CB-CG1 4.02Å; D20-V257 WeakPolarHBondContact O-CG1 3.3Å; L24-V257 HydrophobicContact CB-CB 4.04Å; L24-V257 HydrophobicContact CB-CG1 3.98Å; L24-V257 HydrophobicContact CD1-CB 4.19Å; F27-V257 HydrophobicContact CB-CG2 4.4Å; A253-V257 PolarHBondContact O-N 2.88Å; A253-V257 VanDerWaalsContact O-N 3.13Å; R254-V257 WeakPolarHBondContact O-CG2 3.37Å; V257-M260 HydrophobicContact CB-SD 4.38Å; V257-M260 HydrophobicContact CG1-CE 4.05Å; V257-M260 HydrophobicContact CG1-SD 4.09Å; V257-M260 WeakPolarHBondContact O-CB 3.41Å; V257-M260 PolarHBondContact O-N 3.39Å; V257-W261 PolarHBondContact O-N 3.04Å
258E98.4Very high98.3Very high69 Ų6933.4 Ų33.432%0.32215%0.154SC..Hα-helixtrans-64.2-42.4170.8173.7162.7-146.300111F27 D255 Y256 M260 W261 L262F27-E258 HydrophobicContact CD2-CB 4.36Å; F27-E258 HydrophobicContact CE2-CB 3.65Å; F27-E258 HydrophobicContact CE2-CG 3.84Å; F27-E258 HydrophobicContact CZ-CB 3.82Å; F27-E258 HydrophobicContact CZ-CG 3.68Å; D255-E258 PolarHBondContact O-N 3.08Å; Y256-E258 VanDerWaalsContact C-N 3.27Å; Y256-E258 PolarHBondContact O-N 3.26Å; E258-M260 VanDerWaalsContact C-N 3.3Å; E258-M260 PolarHBondContact O-N 3.48Å; E258-W261 PolarHBondContact O-N 3.09Å; E258-L262 HydrophobicContact CG-CD1 3.91Å; E258-L262 HydrophobicContact CG-CG 4.24Å; E258-L262 WeakPolarHBondContact O-CG 3.26Å; E258-L262 PolarHBondContact O-N 3.34Å
259A98.7Very high98.2Very high0 Ų033.9 Ų33.90%016%0.159CC..Hα-helixtrans-58.5-41.9174.200000112Y256 W261 L262 M263 I274 W346Y256-A259 WeakPolarHBondContact O-CB 3.39Å; Y256-A259 PolarHBondContact O-N 3.18Å; A259-W261 VanDerWaalsContact C-N 3.29Å; A259-W261 PolarHBondContact O-N 3.2Å; A259-L262 PolarHBondContact O-N 2.99Å; A259-M263 HydrophobicContact CB-CE 4.17Å; A259-M263 VanDerWaalsContact O-CG 3.28Å; A259-M263 WeakPolarHBondContact O-CG 3.4Å; A259-M263 PolarHBondContact O-N 3.27Å; A259-I274 HydrophobicContact CB-CD1 3.63Å; A259-I274 HydrophobicContact CB-CG1 3.86Å; A259-I274 HydrophobicContact CB-CG2 4.03Å; A259-W346 HydrophobicContact CB-CD2 4.19Å; A259-W346 HydrophobicContact CB-CG 3.97Å
260M98.7Very high98.2Very high0 Ų036.6 Ų36.60%017%0.174CC..Hα-helixtrans-56.5-45.9177.1-52.2179.8-175.900111.3D20 Y108 L110 Y152 L207 Y256 V257 E258D20-M260 HydrophobicContact CB-CE 4.03Å; Y108-M260 HydrophobicContact CD1-CB 4.39Å; Y108-M260 HydrophobicContact CE1-CB 4.35Å; L110-M260 HydrophobicContact CD1-SD 4.41Å; L110-M260 HydrophobicContact CD2-CE 4.44Å; L110-M260 HydrophobicContact CD2-SD 3.84Å; Y152-M260 HydrophobicContact CD1-CB 4.36Å; Y152-M260 HydrophobicContact CD1-SD 4.49Å; Y152-M260 HydrophobicContact CD2-CB 4.1Å; Y152-M260 HydrophobicContact CE1-CB 4.12Å; Y152-M260 HydrophobicContact CE1-CE 4.48Å; Y152-M260 HydrophobicContact CE1-CG 3.8Å; Y152-M260 HydrophobicContact CE1-SD 3.76Å; Y152-M260 HydrophobicContact CE2-CB 3.85Å; Y152-M260 HydrophobicContact CE2-CG 3.88Å; Y152-M260 HydrophobicContact CG-CB 4.36Å; Y152-M260 VanDerWaalsContact CZ-CG 3.46Å; Y152-M260 WeakPolarHBondContact OH-CG 3.41Å; L207-M260 HydrophobicContact CD2-CE 3.37Å; L207-M260 HydrophobicContact CD2-CG 4.41Å; Y256-M260 WeakPolarHBondContact O-CG 3.39Å; Y256-M260 PolarHBondContact O-N 2.82Å; V257-M260 HydrophobicContact CB-SD 4.38Å; V257-M260 HydrophobicContact CG1-CE 4.05Å; V257-M260 HydrophobicContact CG1-SD 4.09Å; V257-M260 WeakPolarHBondContact O-CB 3.41Å; V257-M260 PolarHBondContact O-N 3.39Å; E258-M260 VanDerWaalsContact C-N 3.3Å; E258-M260 PolarHBondContact O-N 3.48Å
261W98.4Very high98.2Very high34 Ų3436.8 Ų36.813%0.12918%0.175CC..Hα-helixtrans-66.3-46.5178.1174.976.3000111.6F27 L28 K31 V257 E258 A259 M263 L264 Q265F27-W261 HydrophobicContact CD1-CB 4.23Å; F27-W261 HydrophobicContact CD1-CG 4.34Å; F27-W261 HydrophobicContact CE1-CB 3.74Å; F27-W261 AromaticContact CE1-CD2 3.68Å; F27-W261 HydrophobicContact CE1-CD2 3.68Å; F27-W261 AromaticContact CE1-CE3 3.77Å; F27-W261 HydrophobicContact CE1-CE3 3.77Å; F27-W261 AromaticContact CE1-CG 3.67Å; F27-W261 HydrophobicContact CE1-CG 3.67Å; F27-W261 HydrophobicContact CZ-CD2 4.36Å; F27-W261 AromaticContact CZ-CE3 3.97Å; F27-W261 HydrophobicContact CZ-CE3 3.97Å; L28-W261 HydrophobicContact CD2-CG 4.33Å; K31-W261 HydrophobicContact CD-CH2 4.27Å; K31-W261 HydrophobicContact CD-CZ2 4.31Å; V257-W261 PolarHBondContact O-N 3.04Å; E258-W261 PolarHBondContact O-N 3.09Å; A259-W261 VanDerWaalsContact C-N 3.29Å; A259-W261 PolarHBondContact O-N 3.2Å; W261-M263 VanDerWaalsContact C-N 3.28Å; W261-M263 PolarHBondContact O-N 2.97Å; W261-L264 PolarHBondContact O-N 3.37Å; W261-Q265 HydrophobicContact CD2-CG 3.78Å; W261-Q265 VanDerWaalsContact CE2-CD 3.48Å; W261-Q265 VanDerWaalsContact CE2-CG 3.47Å; W261-Q265 HydrophobicContact CE3-CG 4.07Å; W261-Q265 HydrophobicContact CG-CG 4.41Å; W261-Q265 HydrophobicContact CH2-CG 3.83Å; W261-Q265 HydrophobicContact CZ2-CG 3.52Å; W261-Q265 HydrophobicContact CZ3-CG 4.09Å; W261-Q265 VanDerWaalsContact NE1-NE2 3.2Å; W261-Q265 VanDerWaalsContact O-CG 3.32Å; W261-Q265 WeakPolarHBondContact O-CG 3.34Å; W261-Q265 PolarHBondContact O-N 3.34Å; W261-Q265 PolarHBondContact O-NE2 3.28Å; W261-Q265 VanDerWaalsContact O-NE2 3.16Å
262L98.3Very high98.2Very high27 Ų2737.1 Ų37.114%0.14118%0.176CC..Hα-helixtrans-56.7-39.6179.1-75.3170.5000112.3E258 A259 L264 Q265 Q266 L344 W346E258-L262 HydrophobicContact CG-CD1 3.91Å; E258-L262 HydrophobicContact CG-CG 4.24Å; E258-L262 WeakPolarHBondContact O-CG 3.26Å; E258-L262 PolarHBondContact O-N 3.34Å; A259-L262 PolarHBondContact O-N 2.99Å; L262-L264 VanDerWaalsContact C-N 3.29Å; L262-L264 PolarHBondContact O-N 3.23Å; L262-Q265 PolarHBondContact O-N 2.99Å; L262-Q266 PolarHBondContact O-N 2.79Å; L262-Q266 PolarHBondContact O-NE2 2.93Å; L262-L344 HydrophobicContact CB-CB 4.3Å; L262-L344 HydrophobicContact CD1-CB 4.39Å; L262-W346 HydrophobicContact CD1-CB 4.01Å
263M98.7Very high98.2Very high1 Ų136 Ų361%0.00517%0.172CC..Hα-helixtrans-58.6-40.4175.5-68.1175.3-154.800112.1Y152 L207 A259 W261 Q265 Q266 Y272 I274 L344Y152-M263 HydrophobicContact CD2-SD 4.13Å; Y152-M263 HydrophobicContact CE2-SD 3.72Å; L207-M263 HydrophobicContact CD1-CE 4.33Å; A259-M263 HydrophobicContact CB-CE 4.17Å; A259-M263 VanDerWaalsContact O-CG 3.28Å; A259-M263 WeakPolarHBondContact O-CG 3.4Å; A259-M263 PolarHBondContact O-N 3.27Å; W261-M263 VanDerWaalsContact C-N 3.28Å; W261-M263 PolarHBondContact O-N 2.97Å; M263-Q265 VanDerWaalsContact C-N 3.26Å; M263-Q265 PolarHBondContact O-N 2.87Å; M263-Q266 WeakPolarHBondContact O-CG 3.43Å; M263-Q266 PolarHBondContact O-N 3.18Å; M263-Y272 HydrophobicContact CE-CD2 4.48Å; M263-Y272 HydrophobicContact CE-CG 4.46Å; M263-Y272 HydrophobicContact CG-CD2 3.65Å; M263-Y272 HydrophobicContact CG-CE2 4.18Å; M263-Y272 HydrophobicContact CG-CG 4.34Å; M263-Y272 HydrophobicContact SD-CD2 4Å; M263-I274 HydrophobicContact CE-CD1 3.63Å; M263-I274 HydrophobicContact CE-CG1 3.35Å; M263-L344 HydrophobicContact CE-CD1 4.44Å; M263-L344 HydrophobicContact CG-CD1 3.81Å
264L97.9Very high98.3Very high0 Ų036 Ų360%017%0.172CC..Hα-helixtrans-76.2-13.2176.6-59.6-164.5000113.2E106 Y108 K150 F201 C203 W261 L262 Q266E106-L264 HydrophobicContact CB-CD1 3.94Å; E106-L264 HydrophobicContact CG-CD1 4.02Å; Y108-L264 HydrophobicContact CD1-CD1 4.21Å; Y108-L264 HydrophobicContact CE1-CD1 3.6Å; Y108-L264 HydrophobicContact CE1-CG 4.2Å; Y108-L264 HydrophobicContact CE2-CD1 4.12Å; K150-L264 HydrophobicContact CB-CB 4.35Å; K150-L264 HydrophobicContact CB-CD1 4.22Å; K150-L264 HydrophobicContact CB-CD2 4.08Å; K150-L264 HydrophobicContact CB-CG 4.46Å; K150-L264 HydrophobicContact CD-CB 4.36Å; K150-L264 WeakPolarHBondContact CD-O 3.37Å; K150-L264 WeakPolarHBondContact CE-O 3.15Å; K150-L264 PolarHBondContact NZ-O 3.15Å; F201-L264 HydrophobicContact CD1-CD2 4.29Å; F201-L264 HydrophobicContact CE1-CD2 3.99Å; C203-L264 WeakPolarHBondContact SG-CD2 3.44Å; W261-L264 PolarHBondContact O-N 3.37Å; L262-L264 VanDerWaalsContact C-N 3.29Å; L262-L264 PolarHBondContact O-N 3.23Å; L264-Q266 VanDerWaalsContact C-N 3.33Å
265Q96.4Very high98.3Very high58 Ų5830.5 Ų30.527%0.27115%0.151SC..THydrogen-bonded Turntrans-86.5-6.1176-54.4-38.4-76.900113.2E106 W261 L262 M263E106-Q265 PolarHBondContact OE1-NE2 3.42Å; W261-Q265 HydrophobicContact CD2-CG 3.78Å; W261-Q265 VanDerWaalsContact CE2-CD 3.48Å; W261-Q265 VanDerWaalsContact CE2-CG 3.47Å; W261-Q265 HydrophobicContact CE3-CG 4.07Å; W261-Q265 HydrophobicContact CG-CG 4.41Å; W261-Q265 HydrophobicContact CH2-CG 3.83Å; W261-Q265 HydrophobicContact CZ2-CG 3.52Å; W261-Q265 HydrophobicContact CZ3-CG 4.09Å; W261-Q265 VanDerWaalsContact NE1-NE2 3.2Å; W261-Q265 VanDerWaalsContact O-CG 3.32Å; W261-Q265 WeakPolarHBondContact O-CG 3.34Å; W261-Q265 PolarHBondContact O-N 3.34Å; W261-Q265 PolarHBondContact O-NE2 3.28Å; W261-Q265 VanDerWaalsContact O-NE2 3.16Å; L262-Q265 PolarHBondContact O-N 2.99Å; M263-Q265 VanDerWaalsContact C-N 3.26Å; M263-Q265 PolarHBondContact O-N 2.87Å
266Q97.6Very high98.3Very high41 Ų4131.7 Ų31.719%0.19216%0.159CC..SBendtrans-69.6157.4178.7-55.7-50.2-65.300111.8K150 F201 L262 M263 L264 E268 L344K150-Q266 PolarHBondContact NZ-O 3.38Å; F201-Q266 VanDerWaalsContact CE2-O 3.24Å; F201-Q266 WeakPolarHBondContact CE2-O 3.28Å; F201-Q266 HydrophobicContact CZ-CB 4.38Å; F201-Q266 WeakPolarHBondContact CZ-O 3.41Å; L262-Q266 PolarHBondContact O-N 2.79Å; L262-Q266 PolarHBondContact O-NE2 2.93Å; M263-Q266 WeakPolarHBondContact O-CG 3.43Å; M263-Q266 PolarHBondContact O-N 3.18Å; L264-Q266 VanDerWaalsContact C-N 3.33Å; Q266-E268 WeakPolarHBondContact CB-O 3.3Å; Q266-L344 HydrophobicContact CG-CD2 3.56Å
267D96.4Very high98.3Very high156 Ų15633.9 Ų33.983%0.83418%0.181SC*.SBendtrans-67.6-42.8174.6-66.8-32.3000110.9
268E97.4Very high98.2Very high147 Ų14737.9 Ų37.969%0.68720%0.2SC*.SBendtrans-116.1142.8179.2-64.6-61.3153.800111.8F201 Q266F201-E268 VanDerWaalsContact CE2-C 3.49Å; Q266-E268 WeakPolarHBondContact CB-O 3.3Å
269P98.3Very high98.2Very high24 Ų2436.4 Ų36.416%0.15620%0.196CC..  trans-75.4133.217731.5-34.6000111.3R195 F201R195-P269 HydrophobicContact CG-CB 4.45Å; R195-P269 HydrophobicContact CG-CG 3.94Å; F201-P269 HydrophobicContact CB-CB 4.48Å; F201-P269 HydrophobicContact CD1-CB 3.84Å; F201-P269 HydrophobicContact CD2-CB 3.98Å; F201-P269 HydrophobicContact CD2-CG 4.14Å; F201-P269 HydrophobicContact CE1-CB 3.93Å; F201-P269 HydrophobicContact CE2-CB 4.09Å; F201-P269 HydrophobicContact CE2-CG 4.47Å; F201-P269 HydrophobicContact CG-CB 3.85Å; F201-P269 HydrophobicContact CG-CG 4.28Å; F201-P269 HydrophobicContact CZ-CB 4.06Å
270D98.6Very high98.2Very high58 Ų5837.2 Ų37.231%0.3120%0.199SC..  trans-153.4164.5179.8-161.6-5.3000111C203 Y272 K339C203-D270 WeakPolarHBondContact CB-O 3.28Å; D270-Y272 HydrophobicContact CB-CE2 3.74Å; D270-Y272 WeakPolarHBondContact O-CD2 3.43Å; D270-Y272 VanDerWaalsContact O-CE2 3.29Å; D270-Y272 WeakPolarHBondContact O-CE2 3.27Å; D270-K339 IonicContact OD1-NZ 3.2Å; D270-K339 PolarHBondContact OD1-NZ 3.24Å; D270-K339 WeakPolarHBondContact OD2-CE 3.1Å; D270-K339 IonicContact OD2-NZ 3.73Å; D270-K339 PolarHBondContact OD2-NZ 3.04Å
271D98.9Very high98.2Very high8 Ų837.8 Ų37.84%0.04320%0.203CC..  trans-99.2141.2-178.9-53-42.4000110.7E170 Y188 R195 N204 K339E170-D271 WeakPolarHBondContact CG-O 3.48Å; Y188-D271 HydrophobicContact CE2-CB 4.5Å; Y188-D271 PolarHBondContact OH-OD2 3.05Å; R195-D271 IonicContact CZ-OD1 3.25Å; R195-D271 IonicContact CZ-OD2 3.9Å; R195-D271 IonicContact NH1-OD1 2.78Å; R195-D271 PolarHBondContact NH1-OD1 2.91Å; R195-D271 IonicContact NH1-OD2 3.6Å; R195-D271 PolarHBondContact NH1-OD2 3.38Å; R195-D271 IonicContact NH2-OD1 3.18Å; R195-D271 IonicContact NH2-OD2 2.86Å; R195-D271 PolarHBondContact NH2-OD2 3.39Å; N204-D271 HydrophobicContact CB-CB 4.13Å; N204-D271 VanDerWaalsContact CB-OD1 3.24Å; N204-D271 WeakPolarHBondContact CB-OD1 3.25Å; N204-D271 PolarHBondContact N-OD1 2.91Å; N204-D271 PolarHBondContact ND2-OD1 3.33Å; N204-D271 VanDerWaalsContact ND2-OD1 3.09Å; N204-D271 WeakPolarHBondContact O-CA 3.49Å; D271-K339 PolarHBondContact O-NZ 2.87Å
272Y98.9Very high98.2Very high7 Ų736.6 Ų36.63%0.02720%0.2CC..EExtended strand (participates in β ladder)trans-138.2132.8-173.2-62.5-89.9000112.1N204 I206 M263 D270 K339 A340 V343 L344N204-Y272 PolarHBondContact O-N 2.85Å; N204-Y272 VanDerWaalsContact O-N 3.08Å; I206-Y272 PolarHBondContact N-O 3.37Å; M263-Y272 HydrophobicContact CE-CD2 4.48Å; M263-Y272 HydrophobicContact CE-CG 4.46Å; M263-Y272 HydrophobicContact CG-CD2 3.65Å; M263-Y272 HydrophobicContact CG-CE2 4.18Å; M263-Y272 HydrophobicContact CG-CG 4.34Å; M263-Y272 HydrophobicContact SD-CD2 4Å; D270-Y272 HydrophobicContact CB-CE2 3.74Å; D270-Y272 WeakPolarHBondContact O-CD2 3.43Å; D270-Y272 VanDerWaalsContact O-CE2 3.29Å; D270-Y272 WeakPolarHBondContact O-CE2 3.27Å; Y272-K339 HydrophobicContact CD1-CD 3.9Å; Y272-K339 HydrophobicContact CD1-CG 3.92Å; Y272-K339 HydrophobicContact CE1-CD 4.06Å; Y272-K339 HydrophobicContact CE1-CG 3.95Å; Y272-A340 HydrophobicContact CD1-CB 4.36Å; Y272-V343 HydrophobicContact CE1-CB 4.02Å; Y272-V343 HydrophobicContact CE1-CG1 4.13Å; Y272-V343 HydrophobicContact CE1-CG2 4.46Å; Y272-V343 WeakPolarHBondContact OH-CG1 3.33Å; Y272-L344 HydrophobicContact CD1-CD1 4.03Å; Y272-L344 HydrophobicContact CD1-CG 4.18Å; Y272-L344 HydrophobicContact CD2-CD1 4.32Å; Y272-L344 HydrophobicContact CE1-CD1 4.32Å; Y272-L344 HydrophobicContact CE1-CD2 4Å; Y272-L344 HydrophobicContact CE1-CG 4.03Å; Y272-L344 HydrophobicContact CE2-CD2 4.21Å; Y272-L344 HydrophobicContact CG-CD1 4.02Å
273V98.9Very high98.2Very high0 Ų036.9 Ų36.90%020%0.199CC..EExtended strand (participates in β ladder)trans-76.7127.8165.2166.30000109.3F160 E170 I206 F208 D336 S337F160-V273 HydrophobicContact CZ-CG2 4.32Å; E170-V273 HydrophobicContact CG-CG2 4.17Å; E170-V273 PolarHBondContact OE1-N 3.1Å; I206-V273 HydrophobicContact CB-CG2 4.05Å; I206-V273 HydrophobicContact CD1-CG2 4.22Å; I206-V273 HydrophobicContact CG2-CG2 4.21Å; F208-V273 HydrophobicContact CD2-CG1 3.96Å; F208-V273 HydrophobicContact CE2-CG1 3.6Å; V273-D336 WeakPolarHBondContact CG1-O 3.36Å; V273-S337 WeakPolarHBondContact O-CB 3.39Å
274I98.9Very high98.2Very high0 Ų039.9 Ų39.90%021%0.213CC..EExtended strand (participates in β ladder)trans-121.5115.6176.5-57.5-60.3000108I206 L207 F208 Y256 A259 M263 A340 W346I206-I274 PolarHBondContact O-N 3.22Å; L207-I274 HydrophobicContact CD1-CB 3.77Å; L207-I274 HydrophobicContact CD1-CG1 3.7Å; L207-I274 HydrophobicContact CD1-CG2 4.46Å; L207-I274 HydrophobicContact CG-CB 3.84Å; L207-I274 HydrophobicContact CG-CG1 4.31Å; L207-I274 HydrophobicContact CG-CG2 4.17Å; F208-I274 WeakPolarHBondContact CB-O 3.22Å; F208-I274 PolarHBondContact N-O 3.03Å; Y256-I274 HydrophobicContact CD1-CG2 3.7Å; Y256-I274 HydrophobicContact CD2-CG2 4.28Å; Y256-I274 HydrophobicContact CE1-CG2 3.87Å; Y256-I274 HydrophobicContact CE2-CG2 4.41Å; Y256-I274 HydrophobicContact CG-CG2 3.93Å; A259-I274 HydrophobicContact CB-CD1 3.63Å; A259-I274 HydrophobicContact CB-CG1 3.86Å; A259-I274 HydrophobicContact CB-CG2 4.03Å; M263-I274 HydrophobicContact CE-CD1 3.63Å; M263-I274 HydrophobicContact CE-CG1 3.35Å; I274-A340 HydrophobicContact CD1-CB 3.46Å; I274-A340 VanDerWaalsContact CD1-CB 3.46Å; I274-W346 HydrophobicContact CD1-CD2 4.26Å; I274-W346 HydrophobicContact CD1-CE3 4.07Å; I274-W346 HydrophobicContact CD1-CZ3 4.46Å; I274-W346 HydrophobicContact CG2-CD2 4.34Å; I274-W346 HydrophobicContact CG2-CE3 4.24Å; I274-W346 HydrophobicContact CG2-CH2 3.41Å; I274-W346 VanDerWaalsContact CG2-CH2 3.41Å; I274-W346 HydrophobicContact CG2-CZ2 3.5Å; I274-W346 VanDerWaalsContact CG2-CZ2 3.5Å; I274-W346 HydrophobicContact CG2-CZ3 3.81Å
275S98.7Very high98.3Very high0 Ų040 Ų400%021%0.213CC..  trans-156.8162-169.766.70000111.3D249 Y256 G335 S337 W346D249-S275 WeakPolarHBondContact OD2-CB 3.45Å; Y256-S275 WeakPolarHBondContact OH-CA 3.42Å; S275-G335 WeakPolarHBondContact OG-CA 3.42Å; S275-G335 PolarHBondContact OG-O 3.36Å; S275-S337 PolarHBondContact O-OG 3.34Å; S275-S337 WeakPolarHBondContact OG-CB 3.47Å; S275-W346 WeakPolarHBondContact O-CZ3 3.24Å
276T98.7Very high98.4Very high36 Ų3637.2 Ų37.222%0.22120%0.2CC..  trans-81.5-27.1170.770.30000112.1D249 W250 G251 Y256 E278 P348D249-T276 PolarHBondContact OD1-N 3.02Å; D249-T276 PolarHBondContact OD1-OG1 3.02Å; D249-T276 VanDerWaalsContact OD1-OG1 3.05Å; D249-T276 PolarHBondContact OD2-N 3.31Å; W250-T276 WeakPolarHBondContact O-CG2 3.39Å; G251-T276 VanDerWaalsContact CA-CG2 3.48Å; Y256-T276 PolarHBondContact OH-N 3.27Å; T276-E278 PolarHBondContact OG1-N 3.09Å; T276-E278 VanDerWaalsContact OG1-N 3.12Å; T276-E278 PolarHBondContact OG1-O 3.35Å; T276-P348 HydrophobicContact CG2-CB 4.3Å
277G98.2Very high98.4Very high45 Ų4538.5 Ų38.546%0.46421%0.206SC..SBendtrans81.72-171.900000113.7D249 G335D249-G277 WeakPolarHBondContact OD2-CA 3.38Å; D249-G277 PolarHBondContact OD2-N 2.72Å; G277-G335 WeakPolarHBondContact CA-O 3.31Å
278E98Very high98.5Very high84 Ų8432.5 Ų32.539%0.39317%0.174SC..  trans-114.4139.6177.2-173.5176.3-163.100109.7D249 T276 H280D249-E278 WeakPolarHBondContact CA-O 3.48Å; D249-E278 WeakPolarHBondContact CB-O 3.42Å; T276-E278 PolarHBondContact OG1-N 3.09Å; T276-E278 VanDerWaalsContact OG1-N 3.12Å; T276-E278 PolarHBondContact OG1-O 3.35Å; E278-H280 WeakPolarHBondContact CG-NE2 3.16Å; E278-H280 IonicContact OE1-CE1 3.82Å; E278-H280 PolarHBondContact OE1-CE1 3.49Å; E278-H280 IonicContact OE1-NE2 3.69Å; E278-H280 PolarHBondContact OE1-NE2 3.34Å; E278-H280 IonicContact OE2-NE2 2.72Å
279T98.1Very high98.6Very high38 Ų3825.5 Ų25.523%0.23314%0.142CC..  trans-127.8133.6-178.4-162.40000111.5R248 L332 L333 V334R248-T279 VanDerWaalsContact C-OG1 3.32Å; R248-T279 PolarHBondContact N-OG1 3.09Å; R248-T279 WeakPolarHBondContact O-CA 3.49Å; R248-T279 PolarHBondContact O-OG1 3.44Å; T279-L332 HydrophobicContact CG2-CD1 3.85Å; T279-L333 PolarHBondContact OG1-O 3.01Å; T279-V334 HydrophobicContact CG2-CB 4.26Å; T279-V334 HydrophobicContact CG2-CG2 4.46Å
280H98.7Very high98.6Very high18 Ų1824.4 Ų24.48%0.08313%0.134CC..EExtended strand (participates in β ladder)trans-128.3152.2178.3-64-76.3000110.7K247 R248 W250 E278 E284 F352K247-H280 CarbonylContact C-O 3.53Å; K247-H280 VanDerWaalsContact CA-O 3.25Å; K247-H280 WeakPolarHBondContact CA-O 3.48Å; R248-H280 PolarHBondContact N-O 2.85Å; R248-H280 PolarHBondContact O-N 3.44Å; W250-H280 HydrophobicContact CE3-CB 4.15Å; W250-H280 HydrophobicContact CZ3-CB 3.92Å; W250-H280 WeakPolarHBondContact CZ3-O 3.15Å; E278-H280 WeakPolarHBondContact CG-NE2 3.16Å; E278-H280 IonicContact OE1-CE1 3.82Å; E278-H280 PolarHBondContact OE1-CE1 3.49Å; E278-H280 IonicContact OE1-NE2 3.69Å; E278-H280 PolarHBondContact OE1-NE2 3.34Å; E278-H280 IonicContact OE2-NE2 2.72Å; H280-E284 HydrophobicContact CB-CB 4.27Å; H280-E284 IonicContact CE1-OE1 3.75Å; H280-E284 IonicContact CG-OE1 2.98Å; H280-E284 IonicContact ND1-OE1 2.82Å; H280-E284 PolarHBondContact ND1-OE1 3.23Å; H280-F352 HydrophobicContact CB-CD2 4.42Å; H280-F352 HydrophobicContact CB-CE1 4.03Å; H280-F352 HydrophobicContact CB-CE2 3.92Å; H280-F352 HydrophobicContact CB-CZ 3.71Å; H280-F352 AromaticContact CD2-CD1 3.45Å; H280-F352 VanDerWaalsContact CD2-CD1 3.45Å; H280-F352 WeakPolarHBondContact CD2-CD1 3.47Å; H280-F352 AromaticContact CD2-CD2 3.52Å; H280-F352 AromaticContact CD2-CE1 3.86Å; H280-F352 AromaticContact CD2-CE2 3.89Å; H280-F352 AromaticContact CD2-CG 3.26Å; H280-F352 WeakPolarHBondContact CD2-CG 3.18Å; H280-F352 AromaticContact CE1-CD1 3.9Å; H280-F352 AromaticContact CG-CD1 3.77Å; H280-F352 AromaticContact CG-CE1 3.72Å; H280-F352 AromaticContact CG-CG 3.99Å; H280-F352 AromaticContact CG-CZ 3.86Å; H280-F352 AromaticContact NE2-CD1 3.51Å; H280-F352 AromaticContact NE2-CG 3.5Å
281S98.6Very high98.6Very high11 Ų1128 Ų288%0.07715%0.149CC..EExtended strand (participates in β ladder)trans-75.4158172.361.50000112.5A246 R283 E284 F285A246-S281 CarbonylContact O-C 3.2Å; A246-S281 VanDerWaalsContact O-CA 3.28Å; A246-S281 WeakPolarHBondContact O-CA 3.38Å; S281-R283 PolarHBondContact O-N 2.69Å; S281-E284 VanDerWaalsContact CB-OE2 3.31Å; S281-E284 WeakPolarHBondContact CB-OE2 3.39Å; S281-E284 PolarHBondContact N-OE2 3.47Å; S281-E284 PolarHBondContact O-N 2.97Å; S281-E284 VanDerWaalsContact OG-CG 3.3Å; S281-E284 WeakPolarHBondContact OG-CG 3.27Å; S281-E284 PolarHBondContact OG-N 2.69Å; S281-E284 VanDerWaalsContact OG-N 3.1Å; S281-E284 PolarHBondContact OG-OE2 2.95Å; S281-F285 PolarHBondContact O-N 2.94Å; S281-F285 VanDerWaalsContact O-N 3.12Å
282V98.5Very high98.6Very high9 Ų929.4 Ų29.46%0.05516%0.159CC..Hα-helixtrans-56.7-35.6167.6173.50000110.6V220 I224 L241 L244 A246 W250 F285 V286V220-V282 HydrophobicContact CG2-CG1 3.79Å; V220-V282 HydrophobicContact CG2-CG2 4.2Å; I224-V282 HydrophobicContact CD1-CG1 4.15Å; L241-V282 HydrophobicContact CD1-CG1 4.36Å; L244-V282 HydrophobicContact CD2-CG1 4.13Å; L244-V282 PolarHBondContact O-N 3.21Å; A246-V282 HydrophobicContact CB-CG2 4.21Å; A246-V282 PolarHBondContact O-N 3.01Å; W250-V282 HydrophobicContact CH2-CG2 4.13Å; W250-V282 HydrophobicContact CZ2-CG2 4.44Å; V282-F285 WeakPolarHBondContact O-CB 3.28Å; V282-F285 PolarHBondContact O-N 3.07Å; V282-V286 WeakPolarHBondContact O-CG2 3.49Å; V282-V286 PolarHBondContact O-N 3Å
283R98.6Very high98.6Very high34 Ų3430.1 Ų30.113%0.12816%0.163CC..Hα-helixtrans-57.3-52173.6-172.8-177.9-59.2-79.9-0.1112.6L244 N245 S281 F285 V286 E287 W299 E306L244-R283 HydrophobicContact CB-CB 4.39Å; L244-R283 WeakPolarHBondContact O-CB 3.29Å; L244-R283 PolarHBondContact O-N 3.3Å; N245-R283 PolarHBondContact OD1-NH2 2.82Å; S281-R283 PolarHBondContact O-N 2.69Å; R283-F285 VanDerWaalsContact C-N 3.28Å; R283-F285 PolarHBondContact O-N 3.22Å; R283-V286 WeakPolarHBondContact O-CB 3.47Å; R283-V286 PolarHBondContact O-N 2.88Å; R283-V286 VanDerWaalsContact O-N 3.11Å; R283-E287 WeakPolarHBondContact O-CG 3.37Å; R283-E287 PolarHBondContact O-N 2.83Å; R283-W299 HydrophobicContact CB-CZ2 4.49Å; R283-W299 HydrophobicContact CG-CD2 4.44Å; R283-W299 HydrophobicContact CG-CH2 4.39Å; R283-W299 HydrophobicContact CG-CZ2 3.53Å; R283-E306 IonicContact CZ-OE1 3.03Å; R283-E306 IonicContact CZ-OE2 3.71Å; R283-E306 IonicContact NH1-OE1 2.71Å; R283-E306 PolarHBondContact NH1-OE1 2.89Å; R283-E306 IonicContact NH1-OE2 2.71Å; R283-E306 IonicContact NH2-OE1 3.08Å; R283-E306 PolarHBondContact NH2-OE1 2.85Å; R283-E306 IonicContact NH2-OE2 3.65Å; R283-E306 PolarHBondContact NH2-OE2 2.78Å
284E98.6Very high98.5Very high64 Ų6433.5 Ų33.530%0.29920%0.198SC..Hα-helixtrans-59-39.9177.2-74.416183.900111.5H280 S281 V286 E287 L288H280-E284 HydrophobicContact CB-CB 4.27Å; H280-E284 IonicContact CE1-OE1 3.75Å; H280-E284 IonicContact CG-OE1 2.98Å; H280-E284 IonicContact ND1-OE1 2.82Å; H280-E284 PolarHBondContact ND1-OE1 3.23Å; S281-E284 VanDerWaalsContact CB-OE2 3.31Å; S281-E284 WeakPolarHBondContact CB-OE2 3.39Å; S281-E284 PolarHBondContact N-OE2 3.47Å; S281-E284 PolarHBondContact O-N 2.97Å; S281-E284 VanDerWaalsContact OG-CG 3.3Å; S281-E284 WeakPolarHBondContact OG-CG 3.27Å; S281-E284 PolarHBondContact OG-N 2.69Å; S281-E284 VanDerWaalsContact OG-N 3.1Å; S281-E284 PolarHBondContact OG-OE2 2.95Å; E284-V286 VanDerWaalsContact C-N 3.34Å; E284-V286 PolarHBondContact O-N 3.14Å; E284-E287 PolarHBondContact O-N 3.44Å; E284-L288 WeakPolarHBondContact O-CB 3.31Å; E284-L288 PolarHBondContact O-N 3.25Å
285F98.8Very high98.5Very high1 Ų134.8 Ų34.80%0.00420%0.204CC..Hα-helixtrans-60.6-43.8175.3-165.7-75000111.8T221 I224 T225 W250 S281 V282 R283 A289 F352 T356 M359T221-F285 HydrophobicContact CG2-CD2 3.91Å; T221-F285 HydrophobicContact CG2-CE1 4.4Å; T221-F285 HydrophobicContact CG2-CE2 3.52Å; T221-F285 HydrophobicContact CG2-CZ 3.8Å; I224-F285 HydrophobicContact CB-CD1 4.12Å; I224-F285 HydrophobicContact CB-CE1 4.11Å; I224-F285 HydrophobicContact CD1-CD1 3.72Å; I224-F285 HydrophobicContact CD1-CE1 4.4Å; I224-F285 HydrophobicContact CD1-CG 4.43Å; I224-F285 HydrophobicContact CG2-CD1 3.91Å; I224-F285 HydrophobicContact CG2-CE1 4.06Å; T225-F285 HydrophobicContact CG2-CE1 3.75Å; T225-F285 HydrophobicContact CG2-CZ 3.97Å; W250-F285 HydrophobicContact CE3-CD2 4.37Å; W250-F285 HydrophobicContact CH2-CB 4.36Å; W250-F285 HydrophobicContact CZ3-CB 4.32Å; W250-F285 HydrophobicContact CZ3-CD2 4.35Å; S281-F285 PolarHBondContact O-N 2.94Å; S281-F285 VanDerWaalsContact O-N 3.12Å; V282-F285 WeakPolarHBondContact O-CB 3.28Å; V282-F285 PolarHBondContact O-N 3.07Å; R283-F285 VanDerWaalsContact C-N 3.28Å; R283-F285 PolarHBondContact O-N 3.22Å; F285-A289 VanDerWaalsContact O-CB 3.26Å; F285-A289 WeakPolarHBondContact O-CB 3.35Å; F285-A289 PolarHBondContact O-N 3.4Å; F285-F352 HydrophobicContact CB-CE2 4.49Å; F285-F352 HydrophobicContact CB-CZ 4.01Å; F285-F352 AromaticContact CD2-CE2 3.59Å; F285-F352 HydrophobicContact CD2-CE2 3.59Å; F285-F352 AromaticContact CD2-CZ 3.84Å; F285-F352 HydrophobicContact CD2-CZ 3.84Å; F285-F352 HydrophobicContact CE2-CE2 4.27Å; F285-F352 HydrophobicContact CG-CE2 4.47Å; F285-F352 HydrophobicContact CG-CZ 4.31Å; F285-T356 HydrophobicContact CE1-CG2 4.33Å; F285-T356 WeakPolarHBondContact CE2-OG1 3.35Å; F285-T356 HydrophobicContact CZ-CG2 4.25Å; F285-M359 HydrophobicContact CZ-SD 4.48Å
286V98.8Very high98.5Very high0 Ų040.4 Ų40.40%023%0.228CC..Hα-helixtrans-63.4-49.8177.8172.10000111.2I224 L241 V282 R283 E284 L288 A289 F290 W299 V318I224-V286 HydrophobicContact CD1-CG2 3.54Å; I224-V286 HydrophobicContact CG1-CG2 3.95Å; I224-V286 HydrophobicContact CG2-CG2 4.2Å; L241-V286 HydrophobicContact CD1-CG2 3.46Å; L241-V286 VanDerWaalsContact CD1-CG2 3.46Å; V282-V286 WeakPolarHBondContact O-CG2 3.49Å; V282-V286 PolarHBondContact O-N 3Å; R283-V286 WeakPolarHBondContact O-CB 3.47Å; R283-V286 PolarHBondContact O-N 2.88Å; R283-V286 VanDerWaalsContact O-N 3.11Å; E284-V286 VanDerWaalsContact C-N 3.34Å; E284-V286 PolarHBondContact O-N 3.14Å; V286-L288 VanDerWaalsContact C-N 3.31Å; V286-L288 PolarHBondContact O-N 3.47Å; V286-A289 PolarHBondContact O-N 3.32Å; V286-F290 HydrophobicContact CG1-CD2 3.77Å; V286-F290 HydrophobicContact CG1-CE2 3.91Å; V286-F290 WeakPolarHBondContact O-CD2 3.22Å; V286-F290 PolarHBondContact O-N 3.14Å; V286-W299 HydrophobicContact CB-CH2 4.37Å; V286-W299 HydrophobicContact CB-CZ2 4.36Å; V286-W299 HydrophobicContact CG1-CH2 3.94Å; V286-W299 HydrophobicContact CG1-CZ2 4.11Å; V286-V318 HydrophobicContact CG1-CG2 3.58Å
287E98.8Very high98.5Very high68 Ų6839.3 Ų39.332%0.31822%0.221SC..Hα-helixtrans-55-49.1179.3-71166.7173.600111.1R283 E284 F290 Q291 W299R283-E287 WeakPolarHBondContact O-CG 3.37Å; R283-E287 PolarHBondContact O-N 2.83Å; E284-E287 PolarHBondContact O-N 3.44Å; E287-F290 PolarHBondContact O-N 3.42Å; E287-Q291 WeakPolarHBondContact O-CB 3.38Å; E287-Q291 PolarHBondContact O-N 3.37Å; E287-W299 HydrophobicContact CG-CZ2 4.2Å; E287-W299 PolarHBondContact OE1-NE1 2.84Å
288L98.6Very high98.5Very high31 Ų3139.8 Ų39.816%0.16222%0.215CC..Hα-helixtrans-66.5-38.4179.7-17865.3000112.6E284 V286 Q291 C292 F352 Q353 T356E284-L288 WeakPolarHBondContact O-CB 3.31Å; E284-L288 PolarHBondContact O-N 3.25Å; V286-L288 VanDerWaalsContact C-N 3.31Å; V286-L288 PolarHBondContact O-N 3.47Å; L288-Q291 WeakPolarHBondContact O-CB 3.27Å; L288-Q291 PolarHBondContact O-N 3.12Å; L288-C292 PolarHBondContact O-N 3.14Å; L288-C292 VanDerWaalsContact O-N 3.14Å; L288-C292 PolarHBondContact O-SG 2.85Å; L288-F352 HydrophobicContact CD2-CD1 3.87Å; L288-F352 HydrophobicContact CD2-CE1 3.66Å; L288-F352 HydrophobicContact CD2-CZ 4.44Å; L288-Q353 HydrophobicContact CD2-CB 4.4Å; L288-Q353 HydrophobicContact CD2-CG 4.23Å; L288-T356 HydrophobicContact CB-CG2 4.24Å; L288-T356 HydrophobicContact CD2-CG2 3.85Å; L288-T356 HydrophobicContact CG-CG2 3.82Å
289A98.8Very high98.5Very high0 Ų038.2 Ų38.20%021%0.205CC..Hα-helixtrans-64-43.917700000111.7I224 V228 F285 V286 Q291 C292 T356 V360I224-A289 HydrophobicContact CG2-CB 3.77Å; V228-A289 HydrophobicContact CG2-CB 4.13Å; F285-A289 VanDerWaalsContact O-CB 3.26Å; F285-A289 WeakPolarHBondContact O-CB 3.35Å; F285-A289 PolarHBondContact O-N 3.4Å; V286-A289 PolarHBondContact O-N 3.32Å; A289-Q291 VanDerWaalsContact C-N 3.34Å; A289-C292 WeakPolarHBondContact O-CB 3.46Å; A289-C292 PolarHBondContact O-N 3.07Å; A289-T356 HydrophobicContact CB-CG2 4.02Å; A289-V360 HydrophobicContact CB-CG2 3.93Å
290F98.8Very high98.5Very high0 Ų040.6 Ų40.60%021%0.214CC..Hα-helixtrans-67.1-35.2174.4-85.8-81.2000112.4V228 I231 V239 V286 E287 C292 I293 G294 E295 I297 R317 V318V228-F290 HydrophobicContact CG2-CD1 4.46Å; V228-F290 HydrophobicContact CG2-CD2 3.87Å; V228-F290 HydrophobicContact CG2-CE1 4.25Å; V228-F290 HydrophobicContact CG2-CE2 3.63Å; V228-F290 HydrophobicContact CG2-CG 4.28Å; V228-F290 HydrophobicContact CG2-CZ 3.82Å; I231-F290 HydrophobicContact CD1-CE1 4.01Å; I231-F290 HydrophobicContact CD1-CZ 3.71Å; I231-F290 HydrophobicContact CG2-CE1 4.32Å; V239-F290 HydrophobicContact CG1-CE2 4.45Å; V286-F290 HydrophobicContact CG1-CD2 3.77Å; V286-F290 HydrophobicContact CG1-CE2 3.91Å; V286-F290 WeakPolarHBondContact O-CD2 3.22Å; V286-F290 PolarHBondContact O-N 3.14Å; E287-F290 PolarHBondContact O-N 3.42Å; F290-C292 PolarHBondContact O-N 2.77Å; F290-I293 HydrophobicContact CD1-CD1 3.98Å; F290-I293 HydrophobicContact CD1-CG1 4.39Å; F290-I293 HydrophobicContact CE1-CD1 4.37Å; F290-I293 WeakPolarHBondContact O-CG1 3.46Å; F290-I293 PolarHBondContact O-N 3.17Å; F290-G294 PolarHBondContact O-N 2.88Å; F290-E295 CarbonylContact C-O 3.6Å; F290-E295 HydrophobicContact CB-CB 4.26Å; F290-E295 HydrophobicContact CD1-CB 4.03Å; F290-E295 WeakPolarHBondContact CD1-OE2 3.1Å; F290-E295 PolarHBondContact O-N 3.38Å; F290-E295 VanDerWaalsContact O-O 3.13Å; F290-I297 HydrophobicContact CB-CD1 4.04Å; F290-I297 HydrophobicContact CB-CG1 3.68Å; F290-I297 HydrophobicContact CD1-CD1 3.91Å; F290-I297 HydrophobicContact CD1-CG1 4.43Å; F290-I297 HydrophobicContact CD2-CD1 3.89Å; F290-I297 HydrophobicContact CD2-CG1 3.7Å; F290-I297 HydrophobicContact CE1-CD1 4.36Å; F290-I297 HydrophobicContact CE2-CD1 4.34Å; F290-I297 HydrophobicContact CE2-CG1 4.47Å; F290-I297 HydrophobicContact CG-CD1 3.67Å; F290-I297 HydrophobicContact CG-CG1 3.68Å; F290-R317 HydrophobicContact CE1-CB 3.73Å; F290-R317 HydrophobicContact CE1-CG 3.87Å; F290-R317 HydrophobicContact CE2-CB 4.3Å; F290-R317 HydrophobicContact CZ-CB 3.61Å; F290-R317 HydrophobicContact CZ-CG 4.27Å; F290-V318 HydrophobicContact CE2-CG2 3.81Å; F290-V318 HydrophobicContact CZ-CG2 4.43Å
291Q98.5Very high98.4Very high134 Ų13442.2 Ų42.263%0.62624%0.235SC*.Hα-helixtrans-59.6-33.7174.5-172.1-178.6-100111.9E287 L288 A289 I293 G294 E295E287-Q291 WeakPolarHBondContact O-CB 3.38Å; E287-Q291 PolarHBondContact O-N 3.37Å; L288-Q291 WeakPolarHBondContact O-CB 3.27Å; L288-Q291 PolarHBondContact O-N 3.12Å; A289-Q291 VanDerWaalsContact C-N 3.34Å; Q291-I293 PolarHBondContact O-N 2.97Å; Q291-G294 PolarHBondContact O-N 3.4Å; Q291-E295 WeakPolarHBondContact CA-O 3.22Å; Q291-E295 PolarHBondContact N-O 3.26Å
292C98.4Very high98.2Very high37 Ų3749.5 Ų49.525%0.2527%0.265CS..THydrogen-bonded Turntrans-62.5-23.7176-64.40000113.3L288 A289 F290 V360L288-C292 PolarHBondContact O-N 3.14Å; L288-C292 VanDerWaalsContact O-N 3.14Å; L288-C292 PolarHBondContact O-SG 2.85Å; A289-C292 WeakPolarHBondContact O-CB 3.46Å; A289-C292 PolarHBondContact O-N 3.07Å; F290-C292 PolarHBondContact O-N 2.77Å; C292-V360 HydrophobicContact CB-CB 4.2Å; C292-V360 HydrophobicContact CB-CG1 3.87Å; C292-V360 HydrophobicContact CB-CG2 4.4Å
293I98Very high97.9Very high23 Ų2355.4 Ų55.412%0.11830%0.296CS..THydrogen-bonded Turntrans-103.210.7175.766.1161.3000113.1V228 H232 F290 Q291 E295 V360 I364V228-I293 HydrophobicContact CG1-CD1 3.78Å; V228-I293 HydrophobicContact CG1-CG1 3.99Å; V228-I293 HydrophobicContact CG1-CG2 3.92Å; H232-I293 HydrophobicContact CB-CB 4.19Å; H232-I293 HydrophobicContact CB-CD1 3.91Å; H232-I293 HydrophobicContact CB-CG2 3.89Å; F290-I293 HydrophobicContact CD1-CD1 3.98Å; F290-I293 HydrophobicContact CD1-CG1 4.39Å; F290-I293 HydrophobicContact CE1-CD1 4.37Å; F290-I293 WeakPolarHBondContact O-CG1 3.46Å; F290-I293 PolarHBondContact O-N 3.17Å; Q291-I293 PolarHBondContact O-N 2.97Å; I293-E295 HydrophobicContact CD1-CG 4.23Å; I293-E295 HydrophobicContact CG1-CB 4.41Å; I293-E295 HydrophobicContact CG1-CG 4.29Å; I293-V360 HydrophobicContact CG2-CG1 4.11Å; I293-I364 HydrophobicContact CG2-CD1 3.84Å
294G97.8Very high97.6Very high70 Ų7059.5 Ų59.572%0.72232%0.317SS*.THydrogen-bonded Turntrans78.317.617800000115.1F290 Q291F290-G294 PolarHBondContact O-N 2.88Å; Q291-G294 PolarHBondContact O-N 3.4Å
295E98.1Very high97.5Very high27 Ų2762.3 Ų62.313%0.12633%0.334CS..  trans-105.2138.1174.7-65.5-168.4-175.700110.4F290 Q291 I293 D310 R317F290-E295 CarbonylContact C-O 3.6Å; F290-E295 HydrophobicContact CB-CB 4.26Å; F290-E295 HydrophobicContact CD1-CB 4.03Å; F290-E295 WeakPolarHBondContact CD1-OE2 3.1Å; F290-E295 PolarHBondContact O-N 3.38Å; F290-E295 VanDerWaalsContact O-O 3.13Å; Q291-E295 WeakPolarHBondContact CA-O 3.22Å; Q291-E295 PolarHBondContact N-O 3.26Å; I293-E295 HydrophobicContact CD1-CG 4.23Å; I293-E295 HydrophobicContact CG1-CB 4.41Å; I293-E295 HydrophobicContact CG1-CG 4.29Å; E295-D310 HydrophobicContact CB-CB 4.5Å; E295-R317 IonicContact OE1-CZ 3.58Å; E295-R317 IonicContact OE1-NE 3.48Å; E295-R317 IonicContact OE1-NH2 2.76Å; E295-R317 PolarHBondContact OE1-NH2 2.64Å; E295-R317 WeakPolarHBondContact OE2-CG 3.33Å; E295-R317 IonicContact OE2-CZ 3.26Å; E295-R317 IonicContact OE2-NE 2.89Å; E295-R317 PolarHBondContact OE2-NE 3.01Å; E295-R317 IonicContact OE2-NH2 2.76Å
296K98.5Very high97.5Very high118 Ų11863.5 Ų63.551%0.51334%0.34SS..  trans-109.6121.4176.3178.4174.8161.5-143.20109.1D310 E311K296-D310 CarbonylContact O-C 3.11Å; K296-D310 WeakPolarHBondContact O-CA 3.28Å; K296-E311 HydrophobicContact CB-CB 4.32Å; K296-E311 WeakPolarHBondContact CD-OE2 3.27Å; K296-E311 VanDerWaalsContact NZ-CD 3.26Å; K296-E311 IonicContact NZ-OE1 3.55Å; K296-E311 PolarHBondContact NZ-OE1 3.1Å; K296-E311 IonicContact NZ-OE2 2.74Å; K296-E311 PolarHBondContact NZ-OE2 3.46Å; K296-E311 WeakPolarHBondContact O-CB 2.99Å; K296-E311 PolarHBondContact O-N 2.67Å
297I98.6Very high97.5Very high14 Ų1465.1 Ų65.17%0.07235%0.348CS..EExtended strand (participates in β ladder)trans-86.8131.6-178.1-58-56000111F290 W299 R309 R317F290-I297 HydrophobicContact CB-CD1 4.04Å; F290-I297 HydrophobicContact CB-CG1 3.68Å; F290-I297 HydrophobicContact CD1-CD1 3.91Å; F290-I297 HydrophobicContact CD1-CG1 4.43Å; F290-I297 HydrophobicContact CD2-CD1 3.89Å; F290-I297 HydrophobicContact CD2-CG1 3.7Å; F290-I297 HydrophobicContact CE1-CD1 4.36Å; F290-I297 HydrophobicContact CE2-CD1 4.34Å; F290-I297 HydrophobicContact CE2-CG1 4.47Å; F290-I297 HydrophobicContact CG-CD1 3.67Å; F290-I297 HydrophobicContact CG-CG1 3.68Å; I297-W299 HydrophobicContact CG2-CD2 4.09Å; I297-W299 HydrophobicContact CG2-CE3 4.46Å; I297-W299 HydrophobicContact CG2-CH2 4.29Å; I297-W299 HydrophobicContact CG2-CZ2 3.87Å; I297-R309 CarbonylContact C-O 3.56Å; I297-R309 VanDerWaalsContact CA-O 3.32Å; I297-R309 WeakPolarHBondContact CA-O 3.5Å; I297-R317 HydrophobicContact CD1-CB 3.82Å; I297-R317 HydrophobicContact CD1-CG 4.03Å
298V98.4Very high97.4Very high55 Ų5561.9 Ų61.933%0.33333%0.333SS..EExtended strand (participates in β ladder)trans-115.7131.2170.2-178.10000108.3G308 R309 E311V298-G308 WeakPolarHBondContact O-CA 3.19Å; V298-R309 PolarHBondContact N-O 3.27Å; V298-R309 PolarHBondContact O-N 2.98Å; V298-E311 HydrophobicContact CG2-CB 3.87Å; V298-E311 HydrophobicContact CG2-CG 4.07Å
299W98.5Very high97.4Very high50 Ų5064.1 Ų64.119%0.18934%0.339CS..EExtended strand (participates in β ladder)trans-94.7135.6-176.1-57.2101.1000111.9L244 R283 V286 E287 I297 E306 I307 V318L244-W299 HydrophobicContact CD1-CE3 4.14Å; L244-W299 HydrophobicContact CD1-CH2 3.91Å; L244-W299 HydrophobicContact CD1-CZ3 3.49Å; L244-W299 VanDerWaalsContact CD1-CZ3 3.49Å; L244-W299 HydrophobicContact CD2-CH2 4.24Å; R283-W299 HydrophobicContact CB-CZ2 4.49Å; R283-W299 HydrophobicContact CG-CD2 4.44Å; R283-W299 HydrophobicContact CG-CH2 4.39Å; R283-W299 HydrophobicContact CG-CZ2 3.53Å; V286-W299 HydrophobicContact CB-CH2 4.37Å; V286-W299 HydrophobicContact CB-CZ2 4.36Å; V286-W299 HydrophobicContact CG1-CH2 3.94Å; V286-W299 HydrophobicContact CG1-CZ2 4.11Å; E287-W299 HydrophobicContact CG-CZ2 4.2Å; E287-W299 PolarHBondContact OE1-NE1 2.84Å; I297-W299 HydrophobicContact CG2-CD2 4.09Å; I297-W299 HydrophobicContact CG2-CE3 4.46Å; I297-W299 HydrophobicContact CG2-CH2 4.29Å; I297-W299 HydrophobicContact CG2-CZ2 3.87Å; W299-E306 HydrophobicContact CE3-CG 4.37Å; W299-I307 WeakPolarHBondContact CA-O 3.42Å; W299-V318 HydrophobicContact CH2-CB 4.1Å; W299-V318 HydrophobicContact CH2-CG1 3.88Å; W299-V318 HydrophobicContact CH2-CG2 4.11Å; W299-V318 HydrophobicContact CZ3-CB 3.9Å; W299-V318 HydrophobicContact CZ3-CG1 3.78Å; W299-V318 HydrophobicContact CZ3-CG2 4.35Å
300E97.8Very high97.4Very high89 Ų8964.6 Ų64.642%0.41634%0.342SS..EExtended strand (participates in β ladder)trans-133.2149.8177.3-66.1174-175.800110E306 I307 R309E300-E306 CarbonylContact O-C 3.53Å; E300-E306 WeakPolarHBondContact O-CA 3.32Å; E300-I307 HydrophobicContact CB-CG1 4.06Å; E300-I307 PolarHBondContact N-O 2.82Å; E300-I307 PolarHBondContact O-N 2.75Å; E300-R309 IonicContact OE1-NE 2.68Å; E300-R309 IonicContact OE2-CZ 3.51Å; E300-R309 IonicContact OE2-NE 3.14Å; E300-R309 PolarHBondContact OE2-NE 3.47Å; E300-R309 IonicContact OE2-NH2 3.4Å
301G96.9Very high97.4Very high51 Ų5169.9 Ų69.953%0.52637%0.367SS..SBendtrans80.6-170.4-177.400000112.9
302K94.5Very high97.3Very high165 Ų16572.9 Ų72.972%0.71738%0.377SS*.  trans-148.3153.7-178.6-66.4-173.1178.8-179.20110.1N305 E306K302-N305 PolarHBondContact O-N 2.89Å; K302-N305 VanDerWaalsContact O-N 3.15Å; K302-E306 PolarHBondContact O-N 3.21Å
303N91.9Very high97.2Very high132 Ų13273.9 Ų73.971%0.70639%0.385SS*.G310 helixtrans55.5-133.8176.2-53.1-35.1000111.3N305 E306N303-N305 PolarHBondContact O-N 3.46Å; N303-E306 WeakPolarHBondContact O-CB 3.41Å; N303-E306 PolarHBondContact O-N 3.17Å; N303-E306 VanDerWaalsContact O-N 3.1Å
304E93.5Very high97.1Very high120 Ų12074.6 Ų74.656%0.56140%0.398SS*.G310 helixtrans-64.7-18.3178.263-157.4-166.800114.9E306 P322E304-E306 VanDerWaalsContact C-N 3.34Å; E304-P322 HydrophobicContact CB-CG 4.03Å
305N96Very high97.1Very high124 Ų12477.2 Ų77.266%0.66339%0.39SS*.G310 helixtrans-93.64.6175.9-62-55.9000112.5K302 N303K302-N305 PolarHBondContact O-N 2.89Å; K302-N305 VanDerWaalsContact O-N 3.15Å; N303-N305 PolarHBondContact O-N 3.46Å
306E97.9Very high97.1Very high25 Ų2577.7 Ų77.712%0.11739%0.394CS..  trans-72135177.3-169.2172.4-154.800111.2R283 W299 E300 K302 N303 E304 V320R283-E306 IonicContact CZ-OE1 3.03Å; R283-E306 IonicContact CZ-OE2 3.71Å; R283-E306 IonicContact NH1-OE1 2.71Å; R283-E306 PolarHBondContact NH1-OE1 2.89Å; R283-E306 IonicContact NH1-OE2 2.71Å; R283-E306 IonicContact NH2-OE1 3.08Å; R283-E306 PolarHBondContact NH2-OE1 2.85Å; R283-E306 IonicContact NH2-OE2 3.65Å; R283-E306 PolarHBondContact NH2-OE2 2.78Å; W299-E306 HydrophobicContact CE3-CG 4.37Å; E300-E306 CarbonylContact O-C 3.53Å; E300-E306 WeakPolarHBondContact O-CA 3.32Å; K302-E306 PolarHBondContact O-N 3.21Å; N303-E306 WeakPolarHBondContact O-CB 3.41Å; N303-E306 PolarHBondContact O-N 3.17Å; N303-E306 VanDerWaalsContact O-N 3.1Å; E304-E306 VanDerWaalsContact C-N 3.34Å; E306-V320 HydrophobicContact CB-CG2 4.08Å; E306-V320 WeakPolarHBondContact O-CG2 3.29Å; E306-V320 PolarHBondContact O-N 3.23Å
307I98.4Very high97.1Very high34 Ų3473.1 Ų73.117%0.17437%0.374CS..EExtended strand (participates in β ladder)trans-131.8151.5177.859.9171.4000110.4W299 E300 R309 V316 V318 K319W299-I307 WeakPolarHBondContact CA-O 3.42Å; E300-I307 HydrophobicContact CB-CG1 4.06Å; E300-I307 PolarHBondContact N-O 2.82Å; E300-I307 PolarHBondContact O-N 2.75Å; I307-R309 HydrophobicContact CD1-CG 4.32Å; I307-R309 VanDerWaalsContact CD1-NH2 3.33Å; I307-V316 HydrophobicContact CB-CG1 4.19Å; I307-V316 HydrophobicContact CD1-CG2 4.09Å; I307-V316 HydrophobicContact CG2-CG1 4.35Å; I307-V318 VanDerWaalsContact CA-O 3.32Å; I307-V318 WeakPolarHBondContact CA-O 3.29Å; I307-K319 HydrophobicContact CG2-CG 4.35Å
308G98.5Very high97.1Very high0 Ų072.5 Ų72.50%037%0.371CS..EExtended strand (participates in β ladder)trans-109123169.200000109.9V298 R317 V318V298-G308 WeakPolarHBondContact O-CA 3.19Å; G308-R317 PolarHBondContact O-N 3.24Å; G308-V318 PolarHBondContact N-O 2.75Å; G308-V318 PolarHBondContact O-N 3.45Å
309R98.2Very high97.1Very high78 Ų7873.4 Ų73.429%0.29437%0.37SS..EExtended strand (participates in β ladder)trans-105.5142.8174.8-67.2-178.8-172.8-82.9-3.5110.6I297 V298 E300 I307 E311 G314 K315 V316I297-R309 CarbonylContact C-O 3.56Å; I297-R309 VanDerWaalsContact CA-O 3.32Å; I297-R309 WeakPolarHBondContact CA-O 3.5Å; V298-R309 PolarHBondContact N-O 3.27Å; V298-R309 PolarHBondContact O-N 2.98Å; E300-R309 IonicContact OE1-NE 2.68Å; E300-R309 IonicContact OE2-CZ 3.51Å; E300-R309 IonicContact OE2-NE 3.14Å; E300-R309 PolarHBondContact OE2-NE 3.47Å; E300-R309 IonicContact OE2-NH2 3.4Å; I307-R309 HydrophobicContact CD1-CG 4.32Å; I307-R309 VanDerWaalsContact CD1-NH2 3.33Å; R309-E311 PolarHBondContact O-N 3.05Å; R309-G314 PolarHBondContact NH1-O 3.48Å; R309-G314 VanDerWaalsContact NH1-O 3.15Å; R309-K315 CarbonylContact C-O 3.56Å; R309-K315 VanDerWaalsContact CA-O 3.27Å; R309-K315 WeakPolarHBondContact CA-O 3.49Å; R309-V316 HydrophobicContact CG-CG2 4.21Å; R309-V316 VanDerWaalsContact NH1-CG2 3.3Å
310D98.3Very high97.1Very high10 Ų1071.8 Ų71.85%0.05337%0.366CS..EExtended strand (participates in β ladder)trans-67.9123.2163.5166.239.1000109.3E295 K296 K312 S313 G314 K315 R317E295-D310 HydrophobicContact CB-CB 4.5Å; K296-D310 CarbonylContact O-C 3.11Å; K296-D310 WeakPolarHBondContact O-CA 3.28Å; D310-K312 PolarHBondContact O-N 3.19Å; D310-K312 PolarHBondContact OD1-N 2.8Å; D310-S313 WeakPolarHBondContact OD2-CB 3.13Å; D310-S313 PolarHBondContact OD2-N 2.91Å; D310-S313 PolarHBondContact OD2-OG 2.91Å; D310-G314 VanDerWaalsContact O-CA 3.3Å; D310-G314 WeakPolarHBondContact O-CA 3.15Å; D310-G314 PolarHBondContact O-N 2.94Å; D310-K315 PolarHBondContact N-O 3.25Å; D310-R317 HydrophobicContact CB-CG 3.95Å
311E97.9Very high97.1Very high112 Ų11269.4 Ų69.452%0.52336%0.356SS..THydrogen-bonded Turntrans-55.5-38.7-177.8-171.8174.7-112.900111.8K296 V298 R309K296-E311 HydrophobicContact CB-CB 4.32Å; K296-E311 WeakPolarHBondContact CD-OE2 3.27Å; K296-E311 VanDerWaalsContact NZ-CD 3.26Å; K296-E311 IonicContact NZ-OE1 3.55Å; K296-E311 PolarHBondContact NZ-OE1 3.1Å; K296-E311 IonicContact NZ-OE2 2.74Å; K296-E311 PolarHBondContact NZ-OE2 3.46Å; K296-E311 WeakPolarHBondContact O-CB 2.99Å; K296-E311 PolarHBondContact O-N 2.67Å; V298-E311 HydrophobicContact CG2-CB 3.87Å; V298-E311 HydrophobicContact CG2-CG 4.07Å; R309-E311 PolarHBondContact O-N 3.05Å
312K97Very high97Very high196 Ų19670.4 Ų70.485%0.85235%0.353SS*.THydrogen-bonded Turntrans-80.3-45.1-173.3-172.9178.5178.6-178.30112.5D310D310-K312 PolarHBondContact O-N 3.19Å; D310-K312 PolarHBondContact OD1-N 2.8Å
313S96.4Very high97Very high59 Ų5970 Ų7041%0.41335%0.351SS..THydrogen-bonded Turntrans-93.6-15.3-176.5690000114.5D310 K315D310-S313 WeakPolarHBondContact OD2-CB 3.13Å; D310-S313 PolarHBondContact OD2-N 2.91Å; D310-S313 PolarHBondContact OD2-OG 2.91Å; S313-K315 PolarHBondContact O-N 2.81Å; S313-K315 VanDerWaalsContact O-N 3.16Å; S313-K315 WeakPolarHBondContact OG-CB 3.37Å; S313-K315 PolarHBondContact OG-N 3.4Å
314G97Very high97.2Very high38 Ų3867.5 Ų67.539%0.39233%0.334SS..  trans69.7-0.8-173.400000114.5R309 D310R309-G314 PolarHBondContact NH1-O 3.48Å; R309-G314 VanDerWaalsContact NH1-O 3.15Å; D310-G314 VanDerWaalsContact O-CA 3.3Å; D310-G314 WeakPolarHBondContact O-CA 3.15Å; D310-G314 PolarHBondContact O-N 2.94Å
315K97.8Very high97.3Very high125 Ų12565.5 Ų65.554%0.54332%0.324SS..  trans-68.7138.5-179.3-68.6-177.7178.1-176.80110.3R309 D310 S313 R317R309-K315 CarbonylContact C-O 3.56Å; R309-K315 VanDerWaalsContact CA-O 3.27Å; R309-K315 WeakPolarHBondContact CA-O 3.49Å; D310-K315 PolarHBondContact N-O 3.25Å; S313-K315 PolarHBondContact O-N 2.81Å; S313-K315 VanDerWaalsContact O-N 3.16Å; S313-K315 WeakPolarHBondContact OG-CB 3.37Å; S313-K315 PolarHBondContact OG-N 3.4Å; K315-R317 PolarHBondContact O-N 3.05Å
316V98.2Very high97.3Very high36 Ų3662.7 Ų62.722%0.21830%0.304CS..EExtended strand (participates in β ladder)trans-71121.1170.8-178.90000108.6I307 R309 K319I307-V316 HydrophobicContact CB-CG1 4.19Å; I307-V316 HydrophobicContact CD1-CG2 4.09Å; I307-V316 HydrophobicContact CG2-CG1 4.35Å; R309-V316 HydrophobicContact CG-CG2 4.21Å; R309-V316 VanDerWaalsContact NH1-CG2 3.3Å; V316-K319 HydrophobicContact CG1-CD 4.46Å; V316-K319 HydrophobicContact CG1-CG 3.8Å
317R98.3Very high97.3Very high23 Ų2366.1 Ų66.19%0.08733%0.328CS..EExtended strand (participates in β ladder)trans-109.1-24.7-180-66.6-50.4-161.8-174.35.8113.3I231 E237 F238 V239 F290 E295 I297 G308 D310 K315I231-R317 VanDerWaalsContact CG2-CZ 3.44Å; E237-R317 WeakPolarHBondContact O-CD 3.2Å; E237-R317 PolarHBondContact O-NH1 2.83Å; F238-R317 CarbonylContact C-O 3.59Å; F238-R317 WeakPolarHBondContact CA-O 3.36Å; F238-R317 WeakPolarHBondContact CB-O 3.31Å; V239-R317 PolarHBondContact N-O 3.3Å; F290-R317 HydrophobicContact CE1-CB 3.73Å; F290-R317 HydrophobicContact CE1-CG 3.87Å; F290-R317 HydrophobicContact CE2-CB 4.3Å; F290-R317 HydrophobicContact CZ-CB 3.61Å; F290-R317 HydrophobicContact CZ-CG 4.27Å; E295-R317 IonicContact OE1-CZ 3.58Å; E295-R317 IonicContact OE1-NE 3.48Å; E295-R317 IonicContact OE1-NH2 2.76Å; E295-R317 PolarHBondContact OE1-NH2 2.64Å; E295-R317 WeakPolarHBondContact OE2-CG 3.33Å; E295-R317 IonicContact OE2-CZ 3.26Å; E295-R317 IonicContact OE2-NE 2.89Å; E295-R317 PolarHBondContact OE2-NE 3.01Å; E295-R317 IonicContact OE2-NH2 2.76Å; I297-R317 HydrophobicContact CD1-CB 3.82Å; I297-R317 HydrophobicContact CD1-CG 4.03Å; G308-R317 PolarHBondContact O-N 3.24Å; D310-R317 HydrophobicContact CB-CG 3.95Å; K315-R317 PolarHBondContact O-N 3.05Å
318V98.7Very high97.2Very high1 Ų165.4 Ų65.41%0.00633%0.327CS..EExtended strand (participates in β ladder)trans-133.5135.8-177.7-169.90000109.1V239 L241 V286 F290 W299 I307 G308V239-V318 HydrophobicContact CG1-CB 4.36Å; V239-V318 HydrophobicContact CG1-CG1 4.12Å; V239-V318 HydrophobicContact CG1-CG2 4.03Å; V239-V318 WeakPolarHBondContact O-CA 3.47Å; L241-V318 HydrophobicContact CD1-CG1 4.15Å; V286-V318 HydrophobicContact CG1-CG2 3.58Å; F290-V318 HydrophobicContact CE2-CG2 3.81Å; F290-V318 HydrophobicContact CZ-CG2 4.43Å; W299-V318 HydrophobicContact CH2-CB 4.1Å; W299-V318 HydrophobicContact CH2-CG1 3.88Å; W299-V318 HydrophobicContact CH2-CG2 4.11Å; W299-V318 HydrophobicContact CZ3-CB 3.9Å; W299-V318 HydrophobicContact CZ3-CG1 3.78Å; W299-V318 HydrophobicContact CZ3-CG2 4.35Å; I307-V318 VanDerWaalsContact CA-O 3.32Å; I307-V318 WeakPolarHBondContact CA-O 3.29Å; G308-V318 PolarHBondContact N-O 2.75Å; G308-V318 PolarHBondContact O-N 3.45Å
319K98.3Very high97.1Very high74 Ų7467.1 Ų67.132%0.32234%0.336SS..EExtended strand (participates in β ladder)trans-130145.7172.4-63.8179.1-176.9167.80110F238 V239 E240 L241 I307 V316F238-K319 HydrophobicContact CD2-CD 3.85Å; F238-K319 HydrophobicContact CD2-CG 4.25Å; F238-K319 HydrophobicContact CE2-CD 3.89Å; F238-K319 HydrophobicContact CG-CD 4.26Å; F238-K319 HydrophobicContact CZ-CD 4.33Å; V239-K319 PolarHBondContact O-N 2.77Å; E240-K319 CarbonylContact C-O 3.54Å; E240-K319 VanDerWaalsContact CA-O 3.3Å; E240-K319 WeakPolarHBondContact CA-O 3.38Å; E240-K319 HydrophobicContact CG-CB 4.42Å; L241-K319 PolarHBondContact N-O 2.87Å; I307-K319 HydrophobicContact CG2-CG 4.35Å; V316-K319 HydrophobicContact CG1-CD 4.46Å; V316-K319 HydrophobicContact CG1-CG 3.8Å
320V98.3Very high97Very high16 Ų1663.5 Ų63.510%0.09732%0.322CS..EExtended strand (participates in β ladder)trans-86.2135.2168.9178.80000109.5L241 L244 E306 F325L241-V320 CarbonylContact O-C 3.58Å; L241-V320 WeakPolarHBondContact O-CA 3.38Å; L244-V320 HydrophobicContact CD1-CG2 3.71Å; L244-V320 HydrophobicContact CG-CG2 4.18Å; E306-V320 HydrophobicContact CB-CG2 4.08Å; E306-V320 WeakPolarHBondContact O-CG2 3.29Å; E306-V320 PolarHBondContact O-N 3.23Å; V320-F325 HydrophobicContact CG1-CE2 3.72Å; V320-F325 HydrophobicContact CG1-CZ 4.01Å
321N96.8Very high96.7Very high39 Ų3968.3 Ų68.321%0.20935%0.348CS..  trans-130.7114.8175.6-176-31.2000109.7E240 L241 K323 F324E240-N321 HydrophobicContact CB-CB 4.17Å; E240-N321 PolarHBondContact OE1-ND2 2.97Å; L241-N321 PolarHBondContact O-N 2.77Å; N321-K323 PolarHBondContact O-N 2.8Å; N321-K323 WeakPolarHBondContact OD1-CB 3.26Å; N321-K323 PolarHBondContact OD1-N 3.26Å; N321-F324 HydrophobicContact CB-CD2 3.86Å; N321-F324 HydrophobicContact CB-CE2 4.02Å; N321-F324 PolarHBondContact O-N 2.85Å
322P95.1Very high96.7Very high72 Ų7265.2 Ų65.247%0.46834%0.335SS..G310 helixtrans-51.3-26.9-179.1-31.637.4000115.2E304 F324 F325E304-P322 HydrophobicContact CB-CG 4.03Å; P322-F324 PolarHBondContact O-N 2.7Å; P322-F324 VanDerWaalsContact O-N 3.12Å; P322-F325 WeakPolarHBondContact O-CB 3.29Å; P322-F325 WeakPolarHBondContact O-CD2 3.36Å; P322-F325 PolarHBondContact O-N 3.07Å
323K95.5Very high96.8Very high156 Ų15655.9 Ų55.968%0.67829%0.294SS*.G310 helixtrans-55.9-29.7176.9179.6179.3174.3-179.20113.4N321N321-K323 PolarHBondContact O-N 2.8Å; N321-K323 WeakPolarHBondContact OD1-CB 3.26Å; N321-K323 PolarHBondContact OD1-N 3.26Å
324F95.6Very high96.9Very high80 Ų8053.8 Ų53.835%0.35128%0.279SS..G310 helixtrans-86.6-4.4-178.3-63-61.5000113.8K223 E240 N321 P322K223-F324 VanDerWaalsContact NZ-CE2 3.31Å; E240-F324 HydrophobicContact CB-CD2 4.42Å; E240-F324 HydrophobicContact CB-CE2 3.74Å; N321-F324 HydrophobicContact CB-CD2 3.86Å; N321-F324 HydrophobicContact CB-CE2 4.02Å; N321-F324 PolarHBondContact O-N 2.85Å; P322-F324 PolarHBondContact O-N 2.7Å; P322-F324 VanDerWaalsContact O-N 3.12Å
325F95.3Very high97Very high78 Ų7852.1 Ų52.134%0.34226%0.261SS..  trans-71.9150.2172.8-72.8-106.1000110.8K117 N243 V320 P322K117-F325 WeakPolarHBondContact CE-O 3.34Å; N243-F325 HydrophobicContact CB-CD1 4.11Å; N243-F325 HydrophobicContact CB-CE1 3.79Å; N243-F325 HydrophobicContact CB-CZ 4.41Å; V320-F325 HydrophobicContact CG1-CE2 3.72Å; V320-F325 HydrophobicContact CG1-CZ 4.01Å; P322-F325 WeakPolarHBondContact O-CB 3.29Å; P322-F325 WeakPolarHBondContact O-CD2 3.36Å; P322-F325 PolarHBondContact O-N 3.07Å
326R96.8Very high97Very high64 Ų6448.5 Ų48.524%0.24225%0.248CC..  trans-92.8147.3173.2-63.6172.1-176.7-171.61.9109V116 K117 F120 E158 A328V116-R326 VanDerWaalsContact CB-CZ 3.5Å; K117-R326 HydrophobicContact CB-CG 4.49Å; K117-R326 HydrophobicContact CD-CG 4.2Å; F120-R326 HydrophobicContact CE2-CB 4.17Å; F120-R326 HydrophobicContact CE2-CG 4.46Å; E158-R326 IonicContact OE1-NH1 3.19Å; E158-R326 IonicContact OE2-NH1 3.37Å; R326-A328 WeakPolarHBondContact CB-O 3.28Å; R326-A328 PolarHBondContact O-N 3.24Å
327P97Very high97Very high97 Ų9746.9 Ų46.963%0.6324%0.238SC*.SBendtrans-56.1-35174.4-26.835.8000113.4F120F120-P327 HydrophobicContact CB-CG 4.37Å; F120-P327 HydrophobicContact CD1-CB 4.1Å; F120-P327 HydrophobicContact CD1-CG 3.68Å; F120-P327 HydrophobicContact CD2-CG 4.45Å; F120-P327 HydrophobicContact CE1-CB 3.98Å; F120-P327 HydrophobicContact CE1-CG 3.98Å; F120-P327 HydrophobicContact CG-CG 3.92Å; F120-P327 HydrophobicContact CZ-CG 4.48Å
328A96.9Very high97Very high19 Ų1949.5 Ų49.516%0.15726%0.257CS..SBendtrans-131.4122.1170.800000108.6F120 R177 R326F120-A328 HydrophobicContact CZ-CB 4.49Å; R177-A328 HydrophobicContact CB-CB 4.42Å; R177-A328 WeakPolarHBondContact O-CB 3.18Å; R326-A328 WeakPolarHBondContact CB-O 3.28Å; R326-A328 PolarHBondContact O-N 3.24Å
329E94.7Very high97Very high37 Ų3752 Ų5217%0.17327%0.268CS..  trans-89.2157.4-179.2-171.858.7-7500112N243 R248N243-E329 WeakPolarHBondContact CB-OE2 3.28Å; N243-E329 WeakPolarHBondContact ND2-CG 3.3Å; N243-E329 PolarHBondContact ND2-OE2 3.47Å; R248-E329 IonicContact NH2-OE1 3.13Å
330V96.2Very high97.1Very high2 Ų248.5 Ų48.51%0.01225%0.253CS..  trans-107.4107.9163.3174.10000106.9G161 R177 R248 L333G161-V330 WeakPolarHBondContact O-CG1 3.48Å; R177-V330 HydrophobicContact CB-CG2 4.04Å; R248-V330 PolarHBondContact NH1-O 2.92Å; R248-V330 PolarHBondContact NH2-O 3.32Å; V330-L333 HydrophobicContact CG1-CD1 3.77Å; V330-L333 HydrophobicContact CG1-CD2 4.01Å; V330-L333 HydrophobicContact CG1-CG 3.62Å
331D93.7Very high97.1Very high111 Ų11151.1 Ų51.159%0.59426%0.264SS*.  trans-77.3-42.7-168.6-61.9-49000112.6K247K247-D331 PolarHBondContact N-O 2.81Å
332L97.4Very high97.1Very high47 Ų4754.6 Ų54.625%0.24629%0.287CS..BIsolated β-bridgetrans-142131.8-173.2175.367.8000110.4I166 K247 T279I166-L332 HydrophobicContact CD1-CD2 3.63Å; I166-L332 HydrophobicContact CG1-CD2 4.18Å; I166-L332 HydrophobicContact CG2-CD2 4.25Å; K247-L332 HydrophobicContact CB-CD1 3.61Å; K247-L332 HydrophobicContact CD-CD1 4.1Å; K247-L332 HydrophobicContact CG-CD1 4.46Å; T279-L332 HydrophobicContact CG2-CD1 3.85Å
333L98.2Very high97.3Very high0 Ų054.6 Ų54.60%029%0.285CS..  trans-131.9129.5167.4-71174.3000108.9F160 F208 K247 R248 D249 T279 V330F160-L333 HydrophobicContact CB-CD2 4.2Å; F208-L333 HydrophobicContact CD1-CB 4.1Å; F208-L333 HydrophobicContact CE1-CB 3.88Å; F208-L333 HydrophobicContact CE1-CD2 4.36Å; K247-L333 PolarHBondContact O-N 2.87Å; K247-L333 VanDerWaalsContact O-N 3.16Å; R248-L333 CarbonylContact C-O 3.55Å; D249-L333 PolarHBondContact N-O 3.28Å; T279-L333 PolarHBondContact OG1-O 3.01Å; V330-L333 HydrophobicContact CG1-CD1 3.77Å; V330-L333 HydrophobicContact CG1-CD2 4.01Å; V330-L333 HydrophobicContact CG1-CG 3.62Å
334V98.7Very high97.4Very high15 Ų1547.9 Ų47.99%0.09126%0.256CS..  trans-154.1123.5171.760.90000109.4I166 P167 Q168 F208 T279I166-V334 HydrophobicContact CG2-CG1 3.76Å; P167-V334 WeakPolarHBondContact CA-O 3.37Å; P167-V334 HydrophobicContact CB-CG1 4.17Å; P167-V334 WeakPolarHBondContact CB-O 3.02Å; Q168-V334 PolarHBondContact N-O 3.42Å; Q168-V334 PolarHBondContact OE1-O 3.31Å; F208-V334 VanDerWaalsContact CE1-C 3.48Å; T279-V334 HydrophobicContact CG2-CB 4.26Å; T279-V334 HydrophobicContact CG2-CG2 4.46Å
335G98.6Very high97.5Very high2 Ų247 Ų472%0.02127%0.269CS..BIsolated β-bridgetrans-99.9145-170.800000113Q168 D249 S275 G277Q168-G335 CarbonylContact O-C 3.6Å; Q168-G335 WeakPolarHBondContact O-CA 3.32Å; D249-G335 PolarHBondContact OD2-N 3.34Å; S275-G335 WeakPolarHBondContact OG-CA 3.42Å; S275-G335 PolarHBondContact OG-O 3.36Å; G277-G335 WeakPolarHBondContact CA-O 3.31Å
336D98.8Very high97.7Very high49 Ų4943.5 Ų43.526%0.26225%0.254SS..  trans-100.3104.3165.2175.83.3000109P167 Q168 K169 V273 T338P167-D336 HydrophobicContact CB-CB 4.01Å; P167-D336 HydrophobicContact CG-CB 3.77Å; Q168-D336 PolarHBondContact O-N 2.62Å; K169-D336 HydrophobicContact CB-CB 4.23Å; V273-D336 WeakPolarHBondContact CG1-O 3.36Å; D336-T338 VanDerWaalsContact C-N 3.34Å; D336-T338 WeakPolarHBondContact OD1-CB 3.48Å; D336-T338 PolarHBondContact OD1-N 2.97Å; D336-T338 PolarHBondContact OD1-OG1 2.98Å
337S98.5Very high97.7Very high3 Ų346.9 Ų46.92%0.02127%0.27CS..  trans-93.420.1-179.958.80000113.3V273 S275 K339 A340 Q341V273-S337 WeakPolarHBondContact O-CB 3.39Å; S275-S337 PolarHBondContact O-OG 3.34Å; S275-S337 WeakPolarHBondContact OG-CB 3.47Å; S337-K339 PolarHBondContact O-N 3.27Å; S337-K339 VanDerWaalsContact O-N 3.17Å; S337-A340 PolarHBondContact O-N 2.99Å; S337-Q341 WeakPolarHBondContact O-CG 3.31Å; S337-Q341 PolarHBondContact O-N 3.36Å; S337-Q341 PolarHBondContact OG-NE2 3.4Å; S337-Q341 VanDerWaalsContact OG-NE2 3.14Å
338T98.7Very high97.7Very high77 Ų7744.3 Ų44.347%0.47225%0.254SS..Hα-helixtrans-53.2-39.2-177.7-64.70000112.6D336 Q341 T342D336-T338 VanDerWaalsContact C-N 3.34Å; D336-T338 WeakPolarHBondContact OD1-CB 3.48Å; D336-T338 PolarHBondContact OD1-N 2.97Å; D336-T338 PolarHBondContact OD1-OG1 2.98Å; T338-Q341 PolarHBondContact O-N 3.19Å; T338-T342 WeakPolarHBondContact O-CB 3.3Å; T338-T342 PolarHBondContact O-N 3.16Å; T338-T342 PolarHBondContact O-OG1 3.17Å
339K98.7Very high97.8Very high55 Ų5548.3 Ų48.324%0.23928%0.276CS..Hα-helixtrans-62.1-49176.4-173.5-172.7-179.8-177.70111.4E170 D270 D271 Y272 S337 Q341 T342 V343E170-K339 HydrophobicContact CG-CD 3.92Å; E170-K339 WeakPolarHBondContact OE1-CB 3.4Å; D270-K339 IonicContact OD1-NZ 3.2Å; D270-K339 PolarHBondContact OD1-NZ 3.24Å; D270-K339 WeakPolarHBondContact OD2-CE 3.1Å; D270-K339 IonicContact OD2-NZ 3.73Å; D270-K339 PolarHBondContact OD2-NZ 3.04Å; D271-K339 PolarHBondContact O-NZ 2.87Å; Y272-K339 HydrophobicContact CD1-CD 3.9Å; Y272-K339 HydrophobicContact CD1-CG 3.92Å; Y272-K339 HydrophobicContact CE1-CD 4.06Å; Y272-K339 HydrophobicContact CE1-CG 3.95Å; S337-K339 PolarHBondContact O-N 3.27Å; S337-K339 VanDerWaalsContact O-N 3.17Å; K339-Q341 VanDerWaalsContact C-N 3.33Å; K339-Q341 PolarHBondContact O-N 3.45Å; K339-T342 PolarHBondContact O-N 3.02Å; K339-V343 HydrophobicContact CG-CG2 4.29Å; K339-V343 WeakPolarHBondContact O-CB 3.17Å; K339-V343 WeakPolarHBondContact O-CG2 3.36Å; K339-V343 PolarHBondContact O-N 3.44Å
340A98.7Very high98Very high0 Ų047.6 Ų47.60%027%0.274CS..Hα-helixtrans-62.1-39.9177.800000112.2Y272 I274 S337 T342 L344 G345 W346Y272-A340 HydrophobicContact CD1-CB 4.36Å; I274-A340 HydrophobicContact CD1-CB 3.46Å; I274-A340 VanDerWaalsContact CD1-CB 3.46Å; S337-A340 PolarHBondContact O-N 2.99Å; A340-T342 VanDerWaalsContact C-N 3.34Å; A340-T342 PolarHBondContact O-N 3.34Å; A340-L344 HydrophobicContact CB-CD1 4.16Å; A340-L344 WeakPolarHBondContact O-CA 3.41Å; A340-L344 WeakPolarHBondContact O-CB 3.16Å; A340-L344 PolarHBondContact O-N 3.21Å; A340-G345 PolarHBondContact O-N 3.37Å; A340-W346 HydrophobicContact CB-CE3 4.45Å; A340-W346 PolarHBondContact O-N 3.07Å
341Q98.1Very high98.1Very high71 Ų7150.5 Ų50.533%0.33229%0.292SS..Hα-helixtrans-64.6-39176.5-65.5179.641.300112.4S337 T338 K339 G345 W346 K347S337-Q341 WeakPolarHBondContact O-CG 3.31Å; S337-Q341 PolarHBondContact O-N 3.36Å; S337-Q341 PolarHBondContact OG-NE2 3.4Å; S337-Q341 VanDerWaalsContact OG-NE2 3.14Å; T338-Q341 PolarHBondContact O-N 3.19Å; K339-Q341 VanDerWaalsContact C-N 3.33Å; K339-Q341 PolarHBondContact O-N 3.45Å; Q341-G345 WeakPolarHBondContact O-CA 3.5Å; Q341-G345 PolarHBondContact O-N 3.48Å; Q341-W346 WeakPolarHBondContact CA-O 3.16Å; Q341-W346 VanDerWaalsContact CG-O 3.26Å; Q341-W346 WeakPolarHBondContact CG-O 3.42Å; Q341-K347 HydrophobicContact CG-CG 4.22Å
342T98.4Very high98.3Very high112 Ų11245.8 Ų45.869%0.68727%0.266SS*.Hα-helixtrans-78.2-44.9-176.4-54.40000112T338 K339 A340T338-T342 WeakPolarHBondContact O-CB 3.3Å; T338-T342 PolarHBondContact O-N 3.16Å; T338-T342 PolarHBondContact O-OG1 3.17Å; K339-T342 PolarHBondContact O-N 3.02Å; A340-T342 VanDerWaalsContact C-N 3.34Å; A340-T342 PolarHBondContact O-N 3.34Å
343V98.4Very high98.4Very high72 Ų7247.9 Ų47.944%0.43628%0.275SS..Hα-helixtrans-88.3-45.2-173.4-177.50000111.5Y272 K339Y272-V343 HydrophobicContact CE1-CB 4.02Å; Y272-V343 HydrophobicContact CE1-CG1 4.13Å; Y272-V343 HydrophobicContact CE1-CG2 4.46Å; Y272-V343 WeakPolarHBondContact OH-CG1 3.33Å; K339-V343 HydrophobicContact CG-CG2 4.29Å; K339-V343 WeakPolarHBondContact O-CB 3.17Å; K339-V343 WeakPolarHBondContact O-CG2 3.36Å; K339-V343 PolarHBondContact O-N 3.44Å
344L98.2Very high98.4Very high15 Ų1552.8 Ų52.88%0.07930%0.298CS..THydrogen-bonded Turntrans-91.9-14.7-175.4-46.6179.8000112.8L262 M263 Q266 Y272 A340 W346L262-L344 HydrophobicContact CB-CB 4.3Å; L262-L344 HydrophobicContact CD1-CB 4.39Å; M263-L344 HydrophobicContact CE-CD1 4.44Å; M263-L344 HydrophobicContact CG-CD1 3.81Å; Q266-L344 HydrophobicContact CG-CD2 3.56Å; Y272-L344 HydrophobicContact CD1-CD1 4.03Å; Y272-L344 HydrophobicContact CD1-CG 4.18Å; Y272-L344 HydrophobicContact CD2-CD1 4.32Å; Y272-L344 HydrophobicContact CE1-CD1 4.32Å; Y272-L344 HydrophobicContact CE1-CD2 4Å; Y272-L344 HydrophobicContact CE1-CG 4.03Å; Y272-L344 HydrophobicContact CE2-CD2 4.21Å; Y272-L344 HydrophobicContact CG-CD1 4.02Å; A340-L344 HydrophobicContact CB-CD1 4.16Å; A340-L344 WeakPolarHBondContact O-CA 3.41Å; A340-L344 WeakPolarHBondContact O-CB 3.16Å; A340-L344 PolarHBondContact O-N 3.21Å; L344-W346 HydrophobicContact CB-CB 4.16Å; L344-W346 PolarHBondContact O-N 2.65Å
345G97.9Very high98.4Very high60 Ų6052.1 Ų52.162%0.61929%0.294SS*.  trans66.613.7-169.500000113.6A340 Q341A340-G345 PolarHBondContact O-N 3.37Å; Q341-G345 WeakPolarHBondContact O-CA 3.5Å; Q341-G345 PolarHBondContact O-N 3.48Å
346W98.3Very high98.4Very high6 Ų652 Ų522%0.02329%0.293CS..  trans-78.6139.3-175.9178.484.1000111.6D255 Y256 A259 L262 I274 S275 A340 Q341 L344 P348D255-W346 HydrophobicContact CB-CZ2 4.41Å; D255-W346 PolarHBondContact O-NE1 3.18Å; Y256-W346 HydrophobicContact CD2-CH2 4.4Å; Y256-W346 AromaticContact CD2-CZ2 3.89Å; Y256-W346 HydrophobicContact CD2-CZ2 3.89Å; Y256-W346 HydrophobicContact CE2-CH2 4.02Å; Y256-W346 AromaticContact CE2-CZ2 3.95Å; Y256-W346 HydrophobicContact CE2-CZ2 3.95Å; A259-W346 HydrophobicContact CB-CD2 4.19Å; A259-W346 HydrophobicContact CB-CG 3.97Å; L262-W346 HydrophobicContact CD1-CB 4.01Å; I274-W346 HydrophobicContact CD1-CD2 4.26Å; I274-W346 HydrophobicContact CD1-CE3 4.07Å; I274-W346 HydrophobicContact CD1-CZ3 4.46Å; I274-W346 HydrophobicContact CG2-CD2 4.34Å; I274-W346 HydrophobicContact CG2-CE3 4.24Å; I274-W346 HydrophobicContact CG2-CH2 3.41Å; I274-W346 VanDerWaalsContact CG2-CH2 3.41Å; I274-W346 HydrophobicContact CG2-CZ2 3.5Å; I274-W346 VanDerWaalsContact CG2-CZ2 3.5Å; I274-W346 HydrophobicContact CG2-CZ3 3.81Å; S275-W346 WeakPolarHBondContact O-CZ3 3.24Å; A340-W346 HydrophobicContact CB-CE3 4.45Å; A340-W346 PolarHBondContact O-N 3.07Å; Q341-W346 WeakPolarHBondContact CA-O 3.16Å; Q341-W346 VanDerWaalsContact CG-O 3.26Å; Q341-W346 WeakPolarHBondContact CG-O 3.42Å; L344-W346 HydrophobicContact CB-CB 4.16Å; L344-W346 PolarHBondContact O-N 2.65Å; W346-P348 HydrophobicContact CH2-CB 4.17Å
347K97.6Very high98.4Very high135 Ų13557.1 Ų57.159%0.58731%0.308SS*.  trans-144.2145.6172.3-67.1-174.2178.7-177.30110.6Q341Q341-K347 HydrophobicContact CG-CG 4.22Å
348P97.8Very high98.4Very high43 Ų4360 Ų6028%0.27932%0.322SS..  trans-65.3142.6170.631.9-37.7000110.2T276 W346T276-P348 HydrophobicContact CG2-CB 4.3Å; W346-P348 HydrophobicContact CH2-CB 4.17Å
349T98.3Very high98.4Very high102 Ų10256.3 Ų56.363%0.62630%0.299SS*.  trans-112-20.7-178.472.30000113.3D255D255-T349 VanDerWaalsContact CG-OG1 3.24Å; D255-T349 PolarHBondContact OD1-OG1 2.66Å; D255-T349 WeakPolarHBondContact OD2-CA 3.34Å; D255-T349 PolarHBondContact OD2-N 2.85Å; D255-T349 PolarHBondContact OD2-OG1 2.97Å
350V98.5Very high98.4Very high22 Ų2253.7 Ų53.713%0.13329%0.288CS..SBendtrans-108.5127.3-178.1-179.90000110.6Y252 D255 E354 L355Y252-V350 HydrophobicContact CD1-CB 4.29Å; Y252-V350 HydrophobicContact CD1-CG2 3.49Å; Y252-V350 VanDerWaalsContact CD1-CG2 3.49Å; Y252-V350 HydrophobicContact CE1-CG2 4.27Å; Y252-V350 HydrophobicContact CG-CB 4.27Å; Y252-V350 HydrophobicContact CG-CG2 3.95Å; D255-V350 PolarHBondContact OD2-N 2.78Å; V350-E354 HydrophobicContact CG1-CB 3.83Å; V350-L355 HydrophobicContact CG1-CB 4Å
351T98.4Very high98.4Very high63 Ų6357.5 Ų57.539%0.38731%0.308SS..  trans-75.6163175.261.60000112.3Q353 E354 L355T351-Q353 PolarHBondContact O-N 3.18Å; T351-E354 WeakPolarHBondContact CB-OE2 3.4Å; T351-E354 WeakPolarHBondContact CG2-OE2 3.39Å; T351-E354 PolarHBondContact N-OE2 2.87Å; T351-E354 PolarHBondContact O-N 3.38Å; T351-E354 WeakPolarHBondContact OG1-CB 3.32Å; T351-E354 VanDerWaalsContact OG1-CG 3.22Å; T351-E354 WeakPolarHBondContact OG1-CG 3.49Å; T351-E354 PolarHBondContact OG1-N 3.34Å; T351-E354 PolarHBondContact OG1-OE2 2.8Å; T351-L355 WeakPolarHBondContact O-CB 3.25Å; T351-L355 PolarHBondContact O-N 3.25Å
352F98.5Very high98.4Very high12 Ų1256.2 Ų56.25%0.05331%0.308CS..Hα-helixtrans-54.3-40.9173.3177.4-112.4000112.6W250 H280 F285 L288 L355 T356W250-F352 HydrophobicContact CB-CD2 4.42Å; W250-F352 HydrophobicContact CD2-CE2 4.36Å; W250-F352 HydrophobicContact CE3-CD2 4.18Å; W250-F352 AromaticContact CE3-CE2 3.49Å; W250-F352 HydrophobicContact CE3-CE2 3.49Å; W250-F352 VanDerWaalsContact CE3-CE2 3.49Å; W250-F352 HydrophobicContact CE3-CZ 4.35Å; W250-F352 AromaticContact CZ3-CE2 3.96Å; W250-F352 HydrophobicContact CZ3-CE2 3.96Å; W250-F352 HydrophobicContact CZ3-CZ 4.41Å; H280-F352 HydrophobicContact CB-CD2 4.42Å; H280-F352 HydrophobicContact CB-CE1 4.03Å; H280-F352 HydrophobicContact CB-CE2 3.92Å; H280-F352 HydrophobicContact CB-CZ 3.71Å; H280-F352 AromaticContact CD2-CD1 3.45Å; H280-F352 VanDerWaalsContact CD2-CD1 3.45Å; H280-F352 WeakPolarHBondContact CD2-CD1 3.47Å; H280-F352 AromaticContact CD2-CD2 3.52Å; H280-F352 AromaticContact CD2-CE1 3.86Å; H280-F352 AromaticContact CD2-CE2 3.89Å; H280-F352 AromaticContact CD2-CG 3.26Å; H280-F352 WeakPolarHBondContact CD2-CG 3.18Å; H280-F352 AromaticContact CE1-CD1 3.9Å; H280-F352 AromaticContact CG-CD1 3.77Å; H280-F352 AromaticContact CG-CE1 3.72Å; H280-F352 AromaticContact CG-CG 3.99Å; H280-F352 AromaticContact CG-CZ 3.86Å; H280-F352 AromaticContact NE2-CD1 3.51Å; H280-F352 AromaticContact NE2-CG 3.5Å; F285-F352 HydrophobicContact CB-CE2 4.49Å; F285-F352 HydrophobicContact CB-CZ 4.01Å; F285-F352 AromaticContact CD2-CE2 3.59Å; F285-F352 HydrophobicContact CD2-CE2 3.59Å; F285-F352 AromaticContact CD2-CZ 3.84Å; F285-F352 HydrophobicContact CD2-CZ 3.84Å; F285-F352 HydrophobicContact CE2-CE2 4.27Å; F285-F352 HydrophobicContact CG-CE2 4.47Å; F285-F352 HydrophobicContact CG-CZ 4.31Å; L288-F352 HydrophobicContact CD2-CD1 3.87Å; L288-F352 HydrophobicContact CD2-CE1 3.66Å; L288-F352 HydrophobicContact CD2-CZ 4.44Å; F352-L355 PolarHBondContact O-N 2.82Å; F352-T356 PolarHBondContact O-N 3.28Å; F352-T356 PolarHBondContact O-OG1 3.3Å
353Q98.5Very high98.4Very high92 Ų9250.9 Ų50.943%0.4328%0.275SS..Hα-helixtrans-67.9-44.9-178.3-63.380.1-1.600112.2L288 T351 R357L288-Q353 HydrophobicContact CD2-CB 4.4Å; L288-Q353 HydrophobicContact CD2-CG 4.23Å; T351-Q353 PolarHBondContact O-N 3.18Å; Q353-R357 WeakPolarHBondContact O-CB 3.26Å; Q353-R357 PolarHBondContact O-N 2.92Å; Q353-R357 VanDerWaalsContact O-N 3.09Å
354E98.6Very high98.4Very high103 Ų10348.1 Ų48.148%0.48126%0.258SS..Hα-helixtrans-65.4-41.4176.6-70.8164.3143.800111.5V350 T351 R357 M358V350-E354 HydrophobicContact CG1-CB 3.83Å; T351-E354 WeakPolarHBondContact CB-OE2 3.4Å; T351-E354 WeakPolarHBondContact CG2-OE2 3.39Å; T351-E354 PolarHBondContact N-OE2 2.87Å; T351-E354 PolarHBondContact O-N 3.38Å; T351-E354 WeakPolarHBondContact OG1-CB 3.32Å; T351-E354 VanDerWaalsContact OG1-CG 3.22Å; T351-E354 WeakPolarHBondContact OG1-CG 3.49Å; T351-E354 PolarHBondContact OG1-N 3.34Å; T351-E354 PolarHBondContact OG1-OE2 2.8Å; E354-R357 PolarHBondContact O-N 3.12Å; E354-M358 VanDerWaalsContact O-CB 3.24Å; E354-M358 WeakPolarHBondContact O-CB 2.95Å; E354-M358 PolarHBondContact O-N 3.5Å
355L98.8Very high98.4Very high1 Ų151.6 Ų51.61%0.00527%0.273CS..Hα-helixtrans-59.7-50.2177177.762.7000111.6E211 W250 G251 Y252 V350 T351 F352 R357 M358 M359E211-L355 HydrophobicContact CB-CD1 4.4Å; E211-L355 HydrophobicContact CB-CD2 4.21Å; W250-L355 HydrophobicContact CB-CD2 4.23Å; G251-L355 WeakPolarHBondContact O-CD2 3.13Å; Y252-L355 HydrophobicContact CD2-CD1 3.97Å; V350-L355 HydrophobicContact CG1-CB 4Å; T351-L355 WeakPolarHBondContact O-CB 3.25Å; T351-L355 PolarHBondContact O-N 3.25Å; F352-L355 PolarHBondContact O-N 2.82Å; L355-R357 PolarHBondContact O-N 2.92Å; L355-M358 PolarHBondContact O-N 3.46Å; L355-M359 HydrophobicContact CD1-CG 4.37Å; L355-M359 HydrophobicContact CD1-SD 4.15Å; L355-M359 HydrophobicContact CG-SD 4.33Å; L355-M359 WeakPolarHBondContact O-CG 3.29Å; L355-M359 PolarHBondContact O-N 3.18Å
356T98.8Very high98.3Very high0 Ų051.6 Ų51.60%026%0.259CS..Hα-helixtrans-61.9-45.6179.6-64.30000111.2F285 L288 A289 F352 M359 V360F285-T356 HydrophobicContact CE1-CG2 4.33Å; F285-T356 WeakPolarHBondContact CE2-OG1 3.35Å; F285-T356 HydrophobicContact CZ-CG2 4.25Å; L288-T356 HydrophobicContact CB-CG2 4.24Å; L288-T356 HydrophobicContact CD2-CG2 3.85Å; L288-T356 HydrophobicContact CG-CG2 3.82Å; A289-T356 HydrophobicContact CB-CG2 4.02Å; F352-T356 PolarHBondContact O-N 3.28Å; F352-T356 PolarHBondContact O-OG1 3.3Å; T356-M359 PolarHBondContact O-N 2.88Å; T356-V360 HydrophobicContact CG2-CG2 4.44Å; T356-V360 WeakPolarHBondContact O-CG2 3.36Å; T356-V360 PolarHBondContact O-N 2.86Å
357R98.7Very high98.2Very high156 Ų15651.3 Ų51.359%0.58926%0.258SS*.Hα-helixtrans-60.7-48.3177.1-177.9174.9-66176.31111.6Q353 E354 L355 M359 V360 D361Q353-R357 WeakPolarHBondContact O-CB 3.26Å; Q353-R357 PolarHBondContact O-N 2.92Å; Q353-R357 VanDerWaalsContact O-N 3.09Å; E354-R357 PolarHBondContact O-N 3.12Å; L355-R357 PolarHBondContact O-N 2.92Å; R357-M359 VanDerWaalsContact C-N 3.26Å; R357-M359 PolarHBondContact O-N 3.35Å; R357-V360 PolarHBondContact O-N 3.29Å; R357-D361 VanDerWaalsContact CG-OD2 3.32Å; R357-D361 WeakPolarHBondContact CG-OD2 3.41Å; R357-D361 WeakPolarHBondContact O-CB 3.37Å; R357-D361 VanDerWaalsContact O-CG 3.25Å; R357-D361 PolarHBondContact O-N 2.89Å
358M98.7Very high98.2Very high62 Ų6250.4 Ų50.431%0.30525%0.254SS..Hα-helixtrans-55.4-42.7178-176.7-165.5-59.200111.9P213 Y252 E354 L355 S362P213-M358 HydrophobicContact CG-CG 3.97Å; P213-M358 HydrophobicContact CG-SD 4.11Å; Y252-M358 HydrophobicContact CD2-SD 4.37Å; Y252-M358 HydrophobicContact CE1-CE 4.35Å; Y252-M358 HydrophobicContact CE2-CE 4.3Å; Y252-M358 HydrophobicContact CE2-SD 3.69Å; E354-M358 VanDerWaalsContact O-CB 3.24Å; E354-M358 WeakPolarHBondContact O-CB 2.95Å; E354-M358 PolarHBondContact O-N 3.5Å; L355-M358 PolarHBondContact O-N 3.46Å; M358-S362 VanDerWaalsContact O-CB 3.29Å; M358-S362 WeakPolarHBondContact O-CB 3.35Å; M358-S362 PolarHBondContact O-N 3.46Å; M358-S362 VanDerWaalsContact O-N 3.09Å
359M98.8Very high98.1Very high0 Ų056.7 Ų56.70%028%0.277CS..Hα-helixtrans-69.3-45.4178.8-71.5-176.664.400112.2E211 R222 T225 F285 L355 T356 R357 S362 D363E211-M359 HydrophobicContact CB-SD 3.88Å; R222-M359 HydrophobicContact CB-CE 4.13Å; T225-M359 HydrophobicContact CG2-CB 3.66Å; T225-M359 HydrophobicContact CG2-CE 4.35Å; F285-M359 HydrophobicContact CZ-SD 4.48Å; L355-M359 HydrophobicContact CD1-CG 4.37Å; L355-M359 HydrophobicContact CD1-SD 4.15Å; L355-M359 HydrophobicContact CG-SD 4.33Å; L355-M359 WeakPolarHBondContact O-CG 3.29Å; L355-M359 PolarHBondContact O-N 3.18Å; T356-M359 PolarHBondContact O-N 2.88Å; R357-M359 VanDerWaalsContact C-N 3.26Å; R357-M359 PolarHBondContact O-N 3.35Å; M359-S362 PolarHBondContact O-N 3.22Å; M359-D363 WeakPolarHBondContact O-CB 3.36Å; M359-D363 PolarHBondContact O-N 3.42Å
360V98.8Very high97.8Very high0 Ų055.5 Ų55.50%027%0.267CS..Hα-helixtrans-62-49.2177.7172.70000111T225 V228 A289 C292 I293 T356 R357 S362 D363 I364T225-V360 HydrophobicContact CG2-CG2 3.64Å; V228-V360 HydrophobicContact CG1-CG1 4.46Å; A289-V360 HydrophobicContact CB-CG2 3.93Å; C292-V360 HydrophobicContact CB-CB 4.2Å; C292-V360 HydrophobicContact CB-CG1 3.87Å; C292-V360 HydrophobicContact CB-CG2 4.4Å; I293-V360 HydrophobicContact CG2-CG1 4.11Å; T356-V360 HydrophobicContact CG2-CG2 4.44Å; T356-V360 WeakPolarHBondContact O-CG2 3.36Å; T356-V360 PolarHBondContact O-N 2.86Å; R357-V360 PolarHBondContact O-N 3.29Å; V360-S362 VanDerWaalsContact C-N 3.32Å; V360-S362 PolarHBondContact O-N 3.47Å; V360-D363 PolarHBondContact O-N 3.46Å; V360-D363 VanDerWaalsContact O-N 3.16Å; V360-I364 HydrophobicContact CG1-CD1 3.78Å; V360-I364 HydrophobicContact CG1-CG1 4.36Å; V360-I364 WeakPolarHBondContact O-CG1 3.39Å; V360-I364 PolarHBondContact O-N 2.96Å
361D98.6Very high97.4Very high80 Ų8056.9 Ų56.943%0.42828%0.276SS..Hα-helixtrans-59.9-44.8-179.5-69-15.3000110.9R357 D363 I364 E365R357-D361 VanDerWaalsContact CG-OD2 3.32Å; R357-D361 WeakPolarHBondContact CG-OD2 3.41Å; R357-D361 WeakPolarHBondContact O-CB 3.37Å; R357-D361 VanDerWaalsContact O-CG 3.25Å; R357-D361 PolarHBondContact O-N 2.89Å; D361-D363 VanDerWaalsContact C-N 3.34Å; D361-D363 PolarHBondContact O-N 2.86Å; D361-I364 PolarHBondContact O-N 2.9Å; D361-E365 PolarHBondContact O-N 3.45Å
362S98.3Very high96.8Very high45 Ų4561.9 Ų61.932%0.31530%0.297SS..Hα-helixtrans-64.1-38.2177.4-176.60000112.8P213 M358 M359 V360 L366P213-S362 WeakPolarHBondContact CB-OG 3.42Å; M358-S362 VanDerWaalsContact O-CB 3.29Å; M358-S362 WeakPolarHBondContact O-CB 3.35Å; M358-S362 PolarHBondContact O-N 3.46Å; M358-S362 VanDerWaalsContact O-N 3.09Å; M359-S362 PolarHBondContact O-N 3.22Å; V360-S362 VanDerWaalsContact C-N 3.32Å; V360-S362 PolarHBondContact O-N 3.47Å; S362-L366 WeakPolarHBondContact O-CB 3.35Å; S362-L366 PolarHBondContact O-N 3.44Å
363D98.5Very high96Very high0 Ų062.5 Ų62.50%030%0.304CS..Hα-helixtrans-72.9-34.4178.6-76.6-37.1000111.4R222 T225 R226 A229 M359 V360 D361 L366 M367R222-D363 IonicContact CZ-OD1 3.85Å; R222-D363 VanDerWaalsContact CZ-OD1 3.26Å; R222-D363 IonicContact NE-OD1 3.95Å; R222-D363 PolarHBondContact NE-OD1 2.91Å; R222-D363 IonicContact NE-OD2 3.63Å; R222-D363 PolarHBondContact NE-OD2 2.95Å; R222-D363 VanDerWaalsContact NE-OD2 3.14Å; R222-D363 IonicContact NH2-OD1 2.73Å; R222-D363 PolarHBondContact NH2-OD1 3.39Å; T225-D363 VanDerWaalsContact CB-OD2 3.26Å; T225-D363 WeakPolarHBondContact CB-OD2 3.38Å; T225-D363 PolarHBondContact OG1-OD2 3.47Å; R226-D363 HydrophobicContact CG-CB 4.25Å; R226-D363 VanDerWaalsContact CG-CG 3.41Å; R226-D363 WeakPolarHBondContact CG-OD1 3.23Å; R226-D363 VanDerWaalsContact CG-OD2 3.28Å; R226-D363 WeakPolarHBondContact CG-OD2 3.44Å; R226-D363 PolarHBondContact N-OD2 3.43Å; A229-D363 HydrophobicContact CB-CB 3.87Å; M359-D363 WeakPolarHBondContact O-CB 3.36Å; M359-D363 PolarHBondContact O-N 3.42Å; V360-D363 PolarHBondContact O-N 3.46Å; V360-D363 VanDerWaalsContact O-N 3.16Å; D361-D363 VanDerWaalsContact C-N 3.34Å; D361-D363 PolarHBondContact O-N 2.86Å; D363-L366 PolarHBondContact O-N 2.79Å; D363-M367 WeakPolarHBondContact O-CB 3.49Å; D363-M367 WeakPolarHBondContact O-CG 3.32Å; D363-M367 PolarHBondContact O-N 3.35Å
364I98.3Very high95.8Very high14 Ų1461.1 Ų61.17%0.07230%0.298CS..Hα-helixtrans-60.2-48.7171.5-70.5169.1000110.3A229 I293 V360 D361 L366 M367 K368A229-I364 HydrophobicContact CB-CB 4.45Å; A229-I364 HydrophobicContact CB-CG1 3.71Å; I293-I364 HydrophobicContact CG2-CD1 3.84Å; V360-I364 HydrophobicContact CG1-CD1 3.78Å; V360-I364 HydrophobicContact CG1-CG1 4.36Å; V360-I364 WeakPolarHBondContact O-CG1 3.39Å; V360-I364 PolarHBondContact O-N 2.96Å; D361-I364 PolarHBondContact O-N 2.9Å; I364-L366 VanDerWaalsContact C-N 3.34Å; I364-L366 PolarHBondContact O-N 2.97Å; I364-M367 PolarHBondContact O-N 3.39Å; I364-K368 HydrophobicContact CG2-CD 4.25Å; I364-K368 WeakPolarHBondContact O-CG 3.37Å; I364-K368 PolarHBondContact O-N 2.94Å
365E98Very high95.7Very high87 Ų8758.8 Ų58.841%0.40729%0.289SS..Hα-helixtrans-64.9-37.1178.9-70.9-54.9120.900112.7D361 K368 K369D361-E365 PolarHBondContact O-N 3.45Å; E365-K368 IonicContact OE1-NZ 3.78Å; E365-K368 PolarHBondContact OE1-NZ 3.37Å; E365-K369 WeakPolarHBondContact O-CG 3.47Å; E365-K369 PolarHBondContact O-N 3.12Å
366L96.4Very high95.5Very high60 Ų6062.1 Ų62.131%0.31430%0.304SS..Hα-helixtrans-61.7-48.2173.5178.562.8000111.3S362 D363 I364 K368 K369 N370 A373S362-L366 WeakPolarHBondContact O-CB 3.35Å; S362-L366 PolarHBondContact O-N 3.44Å; D363-L366 PolarHBondContact O-N 2.79Å; I364-L366 VanDerWaalsContact C-N 3.34Å; I364-L366 PolarHBondContact O-N 2.97Å; L366-K368 PolarHBondContact O-N 3.41Å; L366-K369 PolarHBondContact O-N 3.03Å; L366-N370 PolarHBondContact O-N 2.97Å; L366-A373 HydrophobicContact CD1-CB 3.87Å; L366-A373 HydrophobicContact CD2-CB 4.06Å; L366-A373 HydrophobicContact CG-CB 3.74Å
367M96Very high95.3Very high0 Ų065.7 Ų65.70%032%0.322CS..Hα-helixtrans-70.9-29.6-176.8-65.7-62.4150.700113.2R226 A229 K230 L233 D363 I364 K369 N370 P371 A373R226-M367 HydrophobicContact CG-CE 4.47Å; R226-M367 VanDerWaalsContact CZ-CE 3.49Å; A229-M367 HydrophobicContact CB-CG 4.24Å; K230-M367 HydrophobicContact CD-SD 4.27Å; K230-M367 WeakPolarHBondContact CE-SD 3.4Å; K230-M367 HydrophobicContact CG-CG 4.22Å; K230-M367 HydrophobicContact CG-SD 3.94Å; L233-M367 HydrophobicContact CD1-CB 3.45Å; L233-M367 VanDerWaalsContact CD1-CB 3.45Å; D363-M367 WeakPolarHBondContact O-CB 3.49Å; D363-M367 WeakPolarHBondContact O-CG 3.32Å; D363-M367 PolarHBondContact O-N 3.35Å; I364-M367 PolarHBondContact O-N 3.39Å; M367-K369 VanDerWaalsContact C-N 3.31Å; M367-N370 CarbonylContact O-C 3.53Å; M367-P371 WeakPolarHBondContact O-CA 3.21Å; M367-A373 HydrophobicContact CE-CB 4.3Å; M367-A373 WeakPolarHBondContact CE-O 3.38Å
368K96.6Very high95.1Very high117 Ų11760.1 Ų60.151%0.50931%0.306SS..Hα-helixtrans-62.4-39.2170.2-76.4174.4-175.71680111.9L233 I364 E365 L366L233-K368 HydrophobicContact CD1-CG 4.11Å; L233-K368 HydrophobicContact CD2-CG 4.06Å; I364-K368 HydrophobicContact CG2-CD 4.25Å; I364-K368 WeakPolarHBondContact O-CG 3.37Å; I364-K368 PolarHBondContact O-N 2.94Å; E365-K368 IonicContact OE1-NZ 3.78Å; E365-K368 PolarHBondContact OE1-NZ 3.37Å; L366-K368 PolarHBondContact O-N 3.41Å
369K95Very high94.9Very high174 Ų17459.9 Ų59.976%0.75731%0.306SS*.Hα-helixtrans-78.7-38.6179.8-68.3176.4-175.3178.40112.2E365 L366 M367E365-K369 WeakPolarHBondContact O-CG 3.47Å; E365-K369 PolarHBondContact O-N 3.12Å; L366-K369 PolarHBondContact O-N 3.03Å; M367-K369 VanDerWaalsContact C-N 3.31Å
370N92.9Very high94.6Very high78 Ų7864.2 Ų64.242%0.41733%0.327SS..  trans-145.497.8179.9179.85.7000110.1L366 M367 M372 A373L366-N370 PolarHBondContact O-N 2.97Å; M367-N370 CarbonylContact O-C 3.53Å; N370-M372 PolarHBondContact O-N 2.73Å; N370-M372 VanDerWaalsContact O-N 3.08Å; N370-M372 PolarHBondContact OD1-N 2.96Å; N370-M372 VanDerWaalsContact OD1-N 3.14Å; N370-A373 HydrophobicContact CB-CB 3.89Å; N370-A373 WeakPolarHBondContact O-CB 3.37Å; N370-A373 PolarHBondContact O-N 2.81Å; N370-A373 PolarHBondContact OD1-N 3Å
371P89.5Confident94.3Very high51 Ų5169.2 Ų69.233%0.33135%0.353SS..THydrogen-bonded Turntrans-59.9-20.9180-27.936.5000114.8Y235 M367Y235-P371 HydrophobicContact CD2-CB 4.13Å; Y235-P371 HydrophobicContact CE1-CB 4.35Å; Y235-P371 HydrophobicContact CE2-CB 3.69Å; Y235-P371 HydrophobicContact CE2-CG 3.95Å; M367-P371 WeakPolarHBondContact O-CA 3.21Å
372M85.8Confident93.9Very high168 Ų16868.3 Ų68.383%0.82835%0.346SS*.THydrogen-bonded Turntrans-91.3-5.7179-65.8-60.2-63.300113.2N370N370-M372 PolarHBondContact O-N 2.73Å; N370-M372 VanDerWaalsContact O-N 3.08Å; N370-M372 PolarHBondContact OD1-N 2.96Å; N370-M372 VanDerWaalsContact OD1-N 3.14Å
373A81.6Confident93.5Very high25 Ų2570.4 Ų70.421%0.20735%0.349CS..  trans-64.20179.400000112.4R226 K230 L366 M367 N370R226-A373 PolarHBondContact NH1-OXT 3.01Å; R226-A373 PolarHBondContact NH2-O 3.19Å; R226-A373 PolarHBondContact NH2-OXT 3.1Å; K230-A373 PolarHBondContact NZ-O 3.09Å; K230-A373 VanDerWaalsContact NZ-O 3.08Å; L366-A373 HydrophobicContact CD1-CB 3.87Å; L366-A373 HydrophobicContact CD2-CB 4.06Å; L366-A373 HydrophobicContact CG-CB 3.74Å; M367-A373 HydrophobicContact CE-CB 4.3Å; M367-A373 WeakPolarHBondContact CE-O 3.38Å; N370-A373 HydrophobicContact CB-CB 3.89Å; N370-A373 WeakPolarHBondContact O-CB 3.37Å; N370-A373 PolarHBondContact O-N 2.81Å; N370-A373 PolarHBondContact OD1-N 3Å

Retrieved 373 of 373 residues in 343.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).