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Poly-beta-1,6-N-acetyl-D-glucosamine synthase

N-acetylglucosaminyltransferase that catalyzes the polymerization of single monomer units of UDP-N-acetylglucosamine to produce the linear homomer poly-beta-1,6-N-acetyl-D-glucosamine (PNAG, also referred to as PIA), a biofilm adhesin polysaccharide. Requires IcaD for full activity (By similarity).

AlphaFold DB (Q9RQP9), UniProt , Accession Q99QX3, Species STAAM (Staphylococcus aureus (strain Mu50 / ATCC 700699)), Gene icaA, Length 412 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M52.7Low71Confident167 Ų16779 Ų7982%0.82337%0.37SS*.  0-57.90-126.8-177.1-92.100112.2F3 F4 N5M1-F3 VanDerWaalsContact C-N 3.34Å; M1-F3 PolarHBondContact O-N 3.28Å; M1-F4 WeakPolarHBondContact O-CB 3.14Å; M1-F4 PolarHBondContact O-N 3.14Å; M1-F4 VanDerWaalsContact O-N 3.13Å; M1-N5 PolarHBondContact O-N 3.01Å; M1-N5 VanDerWaalsContact O-N 3.13Å; M1-N5 PolarHBondContact O-OD1 3.32Å
2Q58.7Low72.5Confident177 Ų17774.8 Ų74.883%0.82735%0.354SS*.Hα-helixtrans-54.6-42.4-177.1-69.4178.9-7.600114.5N5 F6Q2-N5 WeakPolarHBondContact O-CB 3.34Å; Q2-N5 PolarHBondContact O-N 3.44Å; Q2-F6 PolarHBondContact O-N 3.24Å
3F59.9Low73.9Confident110 Ų11077.3 Ų77.348%0.48236%0.363SS..Hα-helixtrans-65.9-38.8179.1-168.3-103.2000113.4M1 N5 F6 L7 I306 Y310M1-F3 VanDerWaalsContact C-N 3.34Å; M1-F3 PolarHBondContact O-N 3.28Å; F3-N5 VanDerWaalsContact C-N 3.31Å; F3-N5 PolarHBondContact O-N 3.31Å; F3-F6 PolarHBondContact O-N 3.2Å; F3-L7 HydrophobicContact CD1-CD1 4.5Å; F3-L7 HydrophobicContact CE1-CD1 4.45Å; F3-L7 PolarHBondContact O-N 3.02Å; F3-I306 HydrophobicContact CE1-CG2 3.82Å; F3-I306 HydrophobicContact CE2-CG2 4.07Å; F3-I306 HydrophobicContact CZ-CG2 3.28Å; F3-Y310 HydrophobicContact CD1-CD2 4.05Å; F3-Y310 HydrophobicContact CD1-CE2 4.4Å; F3-Y310 AromaticContact CE1-CD2 3.95Å; F3-Y310 HydrophobicContact CE1-CD2 3.95Å; F3-Y310 HydrophobicContact CE1-CG 4.2Å
4F62.5Low75.1Confident37 Ų3772.7 Ų72.716%0.16234%0.342CS..Hα-helixtrans-65.2-38.2176.6-168.8-92.9000111.7M1 F6 L7 L8 Y310 I332 S336M1-F4 WeakPolarHBondContact O-CB 3.14Å; M1-F4 PolarHBondContact O-N 3.14Å; M1-F4 VanDerWaalsContact O-N 3.13Å; F4-F6 VanDerWaalsContact C-N 3.28Å; F4-F6 PolarHBondContact O-N 3.28Å; F4-L7 WeakPolarHBondContact O-CB 3.29Å; F4-L7 PolarHBondContact O-N 2.78Å; F4-L8 HydrophobicContact CD1-CD1 4.25Å; F4-L8 HydrophobicContact CE1-CD1 3.62Å; F4-L8 HydrophobicContact CE1-CG 4.05Å; F4-L8 HydrophobicContact CZ-CD1 4.46Å; F4-L8 PolarHBondContact O-N 3.35Å; F4-Y310 AromaticContact CD2-CE1 3.86Å; F4-Y310 HydrophobicContact CD2-CE1 3.86Å; F4-Y310 HydrophobicContact CE2-CE1 4.16Å; F4-I332 HydrophobicContact CD1-CG2 3.67Å; F4-I332 HydrophobicContact CD2-CG2 3.89Å; F4-I332 HydrophobicContact CE1-CG2 3.2Å; F4-I332 HydrophobicContact CE2-CG2 3.44Å; F4-I332 VanDerWaalsContact CE2-CG2 3.44Å; F4-I332 HydrophobicContact CG-CG2 3.99Å; F4-I332 HydrophobicContact CZ-CB 4.5Å; F4-I332 HydrophobicContact CZ-CG2 3.07Å; F4-S336 WeakPolarHBondContact CE1-OG 3.37Å; F4-S336 WeakPolarHBondContact CZ-OG 3.37Å
5N69.6Low76.2Confident89 Ų8967.9 Ų67.948%0.47632%0.319SS..Hα-helixtrans-60.6-38.8176.2-64.3-8000111.3M1 Q2 F3 L8 F9M1-N5 PolarHBondContact O-N 3.01Å; M1-N5 VanDerWaalsContact O-N 3.13Å; M1-N5 PolarHBondContact O-OD1 3.32Å; Q2-N5 WeakPolarHBondContact O-CB 3.34Å; Q2-N5 PolarHBondContact O-N 3.44Å; F3-N5 VanDerWaalsContact C-N 3.31Å; F3-N5 PolarHBondContact O-N 3.31Å; N5-L8 PolarHBondContact O-N 2.98Å; N5-F9 WeakPolarHBondContact O-CB 3.3Å; N5-F9 PolarHBondContact O-N 3.23Å
6F68.5Low77.2Confident88 Ų8868.7 Ų68.739%0.38633%0.325SS..Hα-helixtrans-62.5-42.9175.5176.2-101.1000112.5Q2 F3 F4 L8 F9 Y10Q2-F6 PolarHBondContact O-N 3.24Å; F3-F6 PolarHBondContact O-N 3.2Å; F4-F6 VanDerWaalsContact C-N 3.28Å; F4-F6 PolarHBondContact O-N 3.28Å; F6-L8 PolarHBondContact O-N 3.25Å; F6-F9 PolarHBondContact O-N 3.21Å; F6-Y10 PolarHBondContact O-N 3.29Å
7L73.8Confident78.2Confident13 Ų1368.4 Ų68.47%0.06832%0.32CS..Hα-helixtrans-58.4-37.1-179.9-68.4-179000112.3F3 F4 P11 W303 I306 V307 Y310F3-L7 HydrophobicContact CD1-CD1 4.5Å; F3-L7 HydrophobicContact CE1-CD1 4.45Å; F3-L7 PolarHBondContact O-N 3.02Å; F4-L7 WeakPolarHBondContact O-CB 3.29Å; F4-L7 PolarHBondContact O-N 2.78Å; L7-P11 VanDerWaalsContact O-CD 3.22Å; L7-P11 WeakPolarHBondContact O-CD 2.95Å; L7-W303 WeakPolarHBondContact O-CZ2 3.41Å; L7-W303 PolarHBondContact O-NE1 3.24Å; L7-I306 HydrophobicContact CD2-CG2 3.78Å; L7-V307 HydrophobicContact CD1-CG2 4.49Å; L7-V307 HydrophobicContact CD2-CB 4.46Å; L7-V307 HydrophobicContact CD2-CG2 3.45Å; L7-V307 VanDerWaalsContact CD2-CG2 3.45Å; L7-V307 HydrophobicContact CG-CG2 4.4Å; L7-Y310 HydrophobicContact CD1-CD1 3.59Å; L7-Y310 HydrophobicContact CD1-CE1 4.12Å; L7-Y310 HydrophobicContact CD1-CG 4Å
8L78.5Confident79Confident33 Ų3366.4 Ų66.417%0.17331%0.31CS..Hα-helixtrans-82.6-38.7174.5-75.7178.5000114F4 N5 F6 Y10 P11 V12 S336 M340F4-L8 HydrophobicContact CD1-CD1 4.25Å; F4-L8 HydrophobicContact CE1-CD1 3.62Å; F4-L8 HydrophobicContact CE1-CG 4.05Å; F4-L8 HydrophobicContact CZ-CD1 4.46Å; F4-L8 PolarHBondContact O-N 3.35Å; N5-L8 PolarHBondContact O-N 2.98Å; F6-L8 PolarHBondContact O-N 3.25Å; L8-Y10 PolarHBondContact O-N 3.26Å; L8-P11 VanDerWaalsContact O-CD 3.29Å; L8-P11 WeakPolarHBondContact O-CD 3.33Å; L8-P11 WeakPolarHBondContact O-CG 3.49Å; L8-V12 WeakPolarHBondContact O-CB 3.44Å; L8-V12 WeakPolarHBondContact O-CG2 3.11Å; L8-V12 PolarHBondContact O-N 3.39Å; L8-S336 WeakPolarHBondContact CD1-OG 3.39Å; L8-S336 VanDerWaalsContact CD2-CB 3.42Å; L8-M340 HydrophobicContact CD2-CG 3.94Å; L8-M340 HydrophobicContact CD2-SD 4.46Å
9F84.7Confident79.8Confident133 Ų13363.7 Ų63.758%0.58330%0.297SS*.Hα-helixtrans-64-42-171.2-179.2-96.6000111.8N5 F6 V12 F13N5-F9 WeakPolarHBondContact O-CB 3.3Å; N5-F9 PolarHBondContact O-N 3.23Å; F6-F9 PolarHBondContact O-N 3.21Å; F9-V12 PolarHBondContact O-N 2.86Å; F9-F13 HydrophobicContact CD1-CB 4.48Å; F9-F13 HydrophobicContact CE1-CB 4.22Å; F9-F13 HydrophobicContact CE1-CD2 4.5Å; F9-F13 HydrophobicContact CE1-CG 4.46Å; F9-F13 HydrophobicContact CZ-CB 4.49Å; F9-F13 HydrophobicContact CZ-CD2 4.38Å; F9-F13 WeakPolarHBondContact O-CB 3.17Å; F9-F13 PolarHBondContact O-N 3.43Å
10Y86.6Confident80.6Confident20 Ų2065.1 Ų65.18%0.07831%0.31CS..Hα-helixtrans-58.5-57.6-178.2176-111.9000113.7F6 L8 V12 F13 M14 E296 I299 S300 W303F6-Y10 PolarHBondContact O-N 3.29Å; L8-Y10 PolarHBondContact O-N 3.26Å; Y10-V12 VanDerWaalsContact C-N 3.33Å; Y10-V12 PolarHBondContact O-N 2.77Å; Y10-F13 PolarHBondContact O-N 3.23Å; Y10-M14 HydrophobicContact CD2-CG 4.02Å; Y10-M14 HydrophobicContact CE1-CG 4.24Å; Y10-M14 HydrophobicContact CE2-CG 3.47Å; Y10-M14 VanDerWaalsContact CE2-CG 3.47Å; Y10-M14 HydrophobicContact CE2-SD 3.89Å; Y10-M14 WeakPolarHBondContact O-CG 3.34Å; Y10-M14 PolarHBondContact O-N 3.42Å; Y10-E296 PolarHBondContact OH-O 2.9Å; Y10-I299 HydrophobicContact CD1-CG2 4.35Å; Y10-I299 HydrophobicContact CD2-CG2 3.63Å; Y10-I299 HydrophobicContact CE1-CG2 4.15Å; Y10-I299 HydrophobicContact CE2-CB 4.17Å; Y10-I299 HydrophobicContact CE2-CG2 3.4Å; Y10-I299 HydrophobicContact CG-CG2 4.1Å; Y10-S300 PolarHBondContact OH-OG 2.77Å; Y10-W303 HydrophobicContact CD1-CB 4.1Å; Y10-W303 AromaticContact CD1-CD1 3.69Å; Y10-W303 HydrophobicContact CD1-CD2 4.25Å; Y10-W303 AromaticContact CD1-CG 3.75Å; Y10-W303 HydrophobicContact CD1-CG 3.75Å; Y10-W303 HydrophobicContact CE1-CB 4.39Å; Y10-W303 HydrophobicContact CE1-CG 4.41Å
11P85.9Confident81.3Confident2 Ų262.4 Ų62.41%0.01330%0.3CS..Hα-helixtrans-66-34.8-17928.4-38.1000112.5L7 L8 M14 S15 W303 M340 W377L7-P11 VanDerWaalsContact O-CD 3.22Å; L7-P11 WeakPolarHBondContact O-CD 2.95Å; L8-P11 VanDerWaalsContact O-CD 3.29Å; L8-P11 WeakPolarHBondContact O-CD 3.33Å; L8-P11 WeakPolarHBondContact O-CG 3.49Å; P11-M14 PolarHBondContact O-N 3.41Å; P11-S15 WeakPolarHBondContact O-CB 3.42Å; P11-S15 PolarHBondContact O-N 3.05Å; P11-S15 PolarHBondContact O-OG 3.04Å; P11-W303 HydrophobicContact CG-CZ2 3.91Å; P11-M340 HydrophobicContact CB-CE 3.61Å; P11-M340 HydrophobicContact CB-SD 4.03Å; P11-M340 HydrophobicContact CG-CE 3.85Å; P11-M340 HydrophobicContact CG-SD 3.64Å; P11-W377 HydrophobicContact CB-CH2 3.6Å; P11-W377 HydrophobicContact CB-CZ2 3.7Å; P11-W377 HydrophobicContact CB-CZ3 4.47Å
12V88.6Confident83.2Confident29 Ų2954.5 Ų54.518%0.17626%0.261CS..Hα-helixtrans-61.7-46.8173.4172.20000110.9L8 F9 Y10 M14 S15 I16 T339 M340 I343L8-V12 WeakPolarHBondContact O-CB 3.44Å; L8-V12 WeakPolarHBondContact O-CG2 3.11Å; L8-V12 PolarHBondContact O-N 3.39Å; F9-V12 PolarHBondContact O-N 2.86Å; Y10-V12 VanDerWaalsContact C-N 3.33Å; Y10-V12 PolarHBondContact O-N 2.77Å; V12-M14 PolarHBondContact O-N 3.15Å; V12-S15 PolarHBondContact O-N 3.01Å; V12-I16 HydrophobicContact CG1-CD1 3.89Å; V12-I16 VanDerWaalsContact O-CG1 3.29Å; V12-I16 WeakPolarHBondContact O-CG1 3.47Å; V12-I16 PolarHBondContact O-N 2.92Å; V12-T339 HydrophobicContact CG2-CG2 4.04Å; V12-M340 HydrophobicContact CG2-SD 3.83Å; V12-I343 HydrophobicContact CG2-CG2 4.23Å
13F91.3Very high85Confident107 Ų10749 Ų4947%0.46924%0.236SC..Hα-helixtrans-60-46177.1173.9-95.2000111.5F9 Y10 I16 Y17F9-F13 HydrophobicContact CD1-CB 4.48Å; F9-F13 HydrophobicContact CE1-CB 4.22Å; F9-F13 HydrophobicContact CE1-CD2 4.5Å; F9-F13 HydrophobicContact CE1-CG 4.46Å; F9-F13 HydrophobicContact CZ-CB 4.49Å; F9-F13 HydrophobicContact CZ-CD2 4.38Å; F9-F13 WeakPolarHBondContact O-CB 3.17Å; F9-F13 PolarHBondContact O-N 3.43Å; Y10-F13 PolarHBondContact O-N 3.23Å; F13-I16 PolarHBondContact O-N 3.19Å; F13-Y17 WeakPolarHBondContact O-CB 3.23Å; F13-Y17 PolarHBondContact O-N 3.26Å
14M90.8Very high86.6Confident13 Ų1350.4 Ų50.46%0.06424%0.24CC..Hα-helixtrans-63.9-42.2178.2-70.4-52.8-57.900112.3Y10 P11 V12 I16 Y17 W18 E296Y10-M14 HydrophobicContact CD2-CG 4.02Å; Y10-M14 HydrophobicContact CE1-CG 4.24Å; Y10-M14 HydrophobicContact CE2-CG 3.47Å; Y10-M14 VanDerWaalsContact CE2-CG 3.47Å; Y10-M14 HydrophobicContact CE2-SD 3.89Å; Y10-M14 WeakPolarHBondContact O-CG 3.34Å; Y10-M14 PolarHBondContact O-N 3.42Å; P11-M14 PolarHBondContact O-N 3.41Å; V12-M14 PolarHBondContact O-N 3.15Å; M14-I16 PolarHBondContact O-N 3.11Å; M14-Y17 HydrophobicContact CE-CD1 3.96Å; M14-Y17 HydrophobicContact CE-CE1 4.48Å; M14-Y17 WeakPolarHBondContact O-CB 3.44Å; M14-Y17 PolarHBondContact O-N 2.77Å; M14-W18 HydrophobicContact CB-CH2 4.33Å; M14-W18 HydrophobicContact CB-CZ2 4.4Å; M14-W18 HydrophobicContact CB-CZ3 4.43Å; M14-W18 HydrophobicContact CE-CZ2 3.65Å; M14-W18 PolarHBondContact O-N 2.88Å; M14-E296 VanDerWaalsContact CE-CD 3.41Å; M14-E296 HydrophobicContact CE-CG 3.63Å; M14-E296 WeakPolarHBondContact CE-OE1 3.43Å; M14-E296 HydrophobicContact SD-CG 4.47Å
15S90.4Very high88.1Confident1 Ų149 Ų491%0.00723%0.233CC..Hα-helixtrans-59.3-45.5173.5-72.90000111.8P11 V12 W18 I19 Q347P11-S15 WeakPolarHBondContact O-CB 3.42Å; P11-S15 PolarHBondContact O-N 3.05Å; P11-S15 PolarHBondContact O-OG 3.04Å; V12-S15 PolarHBondContact O-N 3.01Å; S15-W18 PolarHBondContact O-N 3.38Å; S15-I19 WeakPolarHBondContact O-CB 3.41Å; S15-I19 WeakPolarHBondContact O-CD1 3.49Å; S15-I19 WeakPolarHBondContact O-CG1 3.37Å; S15-I19 PolarHBondContact O-N 3.22Å; S15-Q347 PolarHBondContact OG-OE1 3.15Å
16I93.2Very high89.2Confident80 Ų8046.2 Ų46.241%0.4122%0.216SC..Hα-helixtrans-61.9-46.1176.3-67.7167.2000110.7V12 F13 M14 W18 I19 V20 I343V12-I16 HydrophobicContact CG1-CD1 3.89Å; V12-I16 VanDerWaalsContact O-CG1 3.29Å; V12-I16 WeakPolarHBondContact O-CG1 3.47Å; V12-I16 PolarHBondContact O-N 2.92Å; F13-I16 PolarHBondContact O-N 3.19Å; M14-I16 PolarHBondContact O-N 3.11Å; I16-W18 VanDerWaalsContact C-N 3.33Å; I16-W18 PolarHBondContact O-N 2.87Å; I16-I19 PolarHBondContact O-N 3.32Å; I16-V20 HydrophobicContact CG2-CG2 4.13Å; I16-V20 WeakPolarHBondContact O-CB 3.41Å; I16-V20 WeakPolarHBondContact O-CG2 3.3Å; I16-V20 PolarHBondContact O-N 3.08Å; I16-I343 HydrophobicContact CG1-CD1 3.83Å; I16-I343 HydrophobicContact CG1-CG1 4.47Å
17Y93.7Very high90.3Very high63 Ų6347.8 Ų47.825%0.24722%0.223CC..Hα-helixtrans-55.7-47.2177.8169.1-108.7000111.6F13 M14 G21 A195F13-Y17 WeakPolarHBondContact O-CB 3.23Å; F13-Y17 PolarHBondContact O-N 3.26Å; M14-Y17 HydrophobicContact CE-CD1 3.96Å; M14-Y17 HydrophobicContact CE-CE1 4.48Å; M14-Y17 WeakPolarHBondContact O-CB 3.44Å; M14-Y17 PolarHBondContact O-N 2.77Å; Y17-G21 PolarHBondContact O-N 3.13Å; Y17-A195 WeakPolarHBondContact OH-CB 3.29Å
18W93.1Very high91.1Very high34 Ų3449.1 Ų49.113%0.12923%0.232CC..Hα-helixtrans-70.8-34.9178.2-61.3-33.5000113.5M14 S15 I16 S22 I188 S191 E296M14-W18 HydrophobicContact CB-CH2 4.33Å; M14-W18 HydrophobicContact CB-CZ2 4.4Å; M14-W18 HydrophobicContact CB-CZ3 4.43Å; M14-W18 HydrophobicContact CE-CZ2 3.65Å; M14-W18 PolarHBondContact O-N 2.88Å; S15-W18 PolarHBondContact O-N 3.38Å; I16-W18 VanDerWaalsContact C-N 3.33Å; I16-W18 PolarHBondContact O-N 2.87Å; W18-S22 WeakPolarHBondContact O-CB 3.24Å; W18-S22 PolarHBondContact O-N 2.96Å; W18-I188 HydrophobicContact CD2-CG1 3.84Å; W18-I188 HydrophobicContact CE3-CG1 4.28Å; W18-I188 HydrophobicContact CG-CG1 4.2Å; W18-I188 HydrophobicContact CH2-CD1 4.23Å; W18-I188 HydrophobicContact CH2-CG1 4.41Å; W18-I188 HydrophobicContact CZ2-CD1 4.17Å; W18-I188 HydrophobicContact CZ2-CG1 4.01Å; W18-I188 HydrophobicContact CZ3-CD1 4.5Å; W18-S191 WeakPolarHBondContact CA-OG 3.35Å; W18-S191 PolarHBondContact O-OG 3.29Å; W18-S191 VanDerWaalsContact O-OG 3.08Å; W18-E296 WeakPolarHBondContact CZ2-OE1 3.4Å
19I93.6Very high91.4Very high15 Ų1552.4 Ų52.48%0.07724%0.242CC..Hα-helixtrans-60.6-55173.4-72.9161.1000109.9S15 I16 G21 S22 I23 I343 I346 Q347 V350S15-I19 WeakPolarHBondContact O-CB 3.41Å; S15-I19 WeakPolarHBondContact O-CD1 3.49Å; S15-I19 WeakPolarHBondContact O-CG1 3.37Å; S15-I19 PolarHBondContact O-N 3.22Å; I16-I19 PolarHBondContact O-N 3.32Å; I19-G21 PolarHBondContact O-N 3Å; I19-S22 PolarHBondContact O-N 2.93Å; I19-I23 HydrophobicContact CG2-CD1 3.7Å; I19-I23 HydrophobicContact CG2-CG1 4.5Å; I19-I23 VanDerWaalsContact O-CG1 3.3Å; I19-I23 WeakPolarHBondContact O-CG1 3.31Å; I19-I23 PolarHBondContact O-N 2.81Å; I19-I343 HydrophobicContact CD1-CD1 3.97Å; I19-I346 HydrophobicContact CD1-CG2 3.95Å; I19-Q347 HydrophobicContact CD1-CB 3.81Å; I19-Q347 HydrophobicContact CD1-CG 4.42Å; I19-Q347 HydrophobicContact CG1-CB 3.83Å; I19-Q347 HydrophobicContact CG1-CG 3.95Å; I19-V350 HydrophobicContact CG2-CG1 4.42Å; I19-V350 HydrophobicContact CG2-CG2 4.3Å
20V95.9Very high91.5Very high90 Ų9046.3 Ų46.355%0.54522%0.215SC..Hα-helixtrans-63.4-44.6-176.2173.10000110.2I16 I23 Y24I16-V20 HydrophobicContact CG2-CG2 4.13Å; I16-V20 WeakPolarHBondContact O-CB 3.41Å; I16-V20 WeakPolarHBondContact O-CG2 3.3Å; I16-V20 PolarHBondContact O-N 3.08Å; V20-I23 PolarHBondContact O-N 3Å; V20-Y24 VanDerWaalsContact O-CB 3.32Å; V20-Y24 WeakPolarHBondContact O-CB 3.37Å; V20-Y24 PolarHBondContact O-N 2.86Å
21G94.8Very high91.3Very high10 Ų1049.1 Ų49.110%0.10323%0.231CC..Hα-helixtrans-60.3-45.517600000112.4Y17 I19 Y24 F25 S191 L194Y17-G21 PolarHBondContact O-N 3.13Å; I19-G21 PolarHBondContact O-N 3Å; G21-Y24 PolarHBondContact O-N 3.49Å; G21-F25 WeakPolarHBondContact O-CB 3.43Å; G21-F25 PolarHBondContact O-N 2.8Å; G21-S191 WeakPolarHBondContact CA-OG 3.48Å; G21-L194 WeakPolarHBondContact O-CD1 3.15Å
22S93.6Very high90.8Very high0 Ų058.5 Ų58.50%027%0.266CS..Hα-helixtrans-64-45.1178.4-166.70000112.4W18 I19 Y24 F25 Y26 C187 R190 S191 I354W18-S22 WeakPolarHBondContact O-CB 3.24Å; W18-S22 PolarHBondContact O-N 2.96Å; I19-S22 PolarHBondContact O-N 2.93Å; S22-Y24 PolarHBondContact O-N 3.16Å; S22-F25 PolarHBondContact O-N 3.35Å; S22-Y26 WeakPolarHBondContact O-CB 3.42Å; S22-Y26 PolarHBondContact O-N 2.68Å; S22-C187 VanDerWaalsContact CB-SG 3.54Å; S22-C187 PolarHBondContact OG-SG 3.32Å; S22-R190 WeakPolarHBondContact OG-CD 3.42Å; S22-S191 PolarHBondContact N-OG 2.98Å; S22-I354 VanDerWaalsContact OG-CD1 3.3Å; S22-I354 WeakPolarHBondContact OG-CD1 3.45Å
23I95.1Very high90Very high61 Ų6163.4 Ų63.431%0.31328%0.282SS..Hα-helixtrans-60.5-46.2175.9-70171.6000110.8I19 V20 Y26 F27 V350I19-I23 HydrophobicContact CG2-CD1 3.7Å; I19-I23 HydrophobicContact CG2-CG1 4.5Å; I19-I23 VanDerWaalsContact O-CG1 3.3Å; I19-I23 WeakPolarHBondContact O-CG1 3.31Å; I19-I23 PolarHBondContact O-N 2.81Å; V20-I23 PolarHBondContact O-N 3Å; I23-Y26 WeakPolarHBondContact O-CB 3.45Å; I23-Y26 PolarHBondContact O-N 3.47Å; I23-F27 HydrophobicContact CG2-CD2 3.67Å; I23-F27 HydrophobicContact CG2-CE2 3.67Å; I23-F27 VanDerWaalsContact O-CD2 3.25Å; I23-F27 WeakPolarHBondContact O-CD2 3.39Å; I23-F27 PolarHBondContact O-N 2.96Å; I23-V350 HydrophobicContact CD1-CG1 3.87Å; I23-V350 HydrophobicContact CD1-CG2 4.31Å; I23-V350 HydrophobicContact CG1-CG1 3.55Å
24Y95.2Very high88.8Confident141 Ų14161.2 Ų61.255%0.55328%0.28SS*.Hα-helixtrans-64.7-42.9179.7-174.5-96.9000111.7V20 G21 S22 Y26 F27 T28 L194V20-Y24 VanDerWaalsContact O-CB 3.32Å; V20-Y24 WeakPolarHBondContact O-CB 3.37Å; V20-Y24 PolarHBondContact O-N 2.86Å; G21-Y24 PolarHBondContact O-N 3.49Å; S22-Y24 PolarHBondContact O-N 3.16Å; Y24-Y26 VanDerWaalsContact C-N 3.3Å; Y24-Y26 PolarHBondContact O-N 3.21Å; Y24-F27 PolarHBondContact O-N 3.47Å; Y24-T28 HydrophobicContact CD1-CG2 4.1Å; Y24-T28 HydrophobicContact CD2-CG2 4.14Å; Y24-T28 HydrophobicContact CE1-CG2 3.76Å; Y24-T28 HydrophobicContact CE2-CG2 3.77Å; Y24-T28 HydrophobicContact CG-CG2 4.31Å; Y24-T28 WeakPolarHBondContact O-CB 3.16Å; Y24-T28 WeakPolarHBondContact O-CG2 3.36Å; Y24-T28 PolarHBondContact O-N 3.4Å; Y24-T28 PolarHBondContact O-OG1 2.87Å; Y24-L194 HydrophobicContact CD1-CD1 3.59Å; Y24-L194 HydrophobicContact CD1-CD2 3.79Å; Y24-L194 HydrophobicContact CD1-CG 4.3Å; Y24-L194 HydrophobicContact CE1-CD2 4.06Å; Y24-L194 HydrophobicContact CG-CD1 4.32Å
25F93.7Very high87.5Confident6 Ų663.6 Ų63.63%0.02629%0.293CS..Hα-helixtrans-60.2-44175.8-174.3-85.7000110.7G21 S22 T28 R29 E30 R190 T193 L194 P245G21-F25 WeakPolarHBondContact O-CB 3.43Å; G21-F25 PolarHBondContact O-N 2.8Å; S22-F25 PolarHBondContact O-N 3.35Å; F25-T28 PolarHBondContact O-N 3.03Å; F25-R29 HydrophobicContact CE1-CB 4.36Å; F25-R29 HydrophobicContact CZ-CB 4.36Å; F25-R29 WeakPolarHBondContact O-CA 3.37Å; F25-R29 WeakPolarHBondContact O-CB 3.16Å; F25-R29 PolarHBondContact O-N 3.42Å; F25-E30 HydrophobicContact CD1-CG 3.61Å; F25-E30 HydrophobicContact CE1-CG 3.45Å; F25-E30 VanDerWaalsContact CE1-CG 3.45Å; F25-E30 VanDerWaalsContact CE1-OE1 3.26Å; F25-E30 WeakPolarHBondContact CE1-OE1 3.35Å; F25-E30 PolarHBondContact O-N 2.77Å; F25-R190 HydrophobicContact CB-CB 3.89Å; F25-R190 HydrophobicContact CB-CG 4.32Å; F25-R190 HydrophobicContact CD1-CB 4.02Å; F25-R190 HydrophobicContact CD1-CG 3.56Å; F25-R190 HydrophobicContact CD2-CB 4.27Å; F25-R190 HydrophobicContact CE1-CG 3.93Å; F25-R190 HydrophobicContact CG-CB 3.81Å; F25-R190 HydrophobicContact CG-CG 3.9Å; F25-T193 HydrophobicContact CE2-CG2 3.85Å; F25-L194 HydrophobicContact CB-CD1 3.84Å; F25-L194 HydrophobicContact CB-CD2 4.36Å; F25-L194 HydrophobicContact CB-CG 4.11Å; F25-L194 HydrophobicContact CD2-CD2 3.98Å; F25-L194 HydrophobicContact CD2-CG 3.97Å; F25-P245 HydrophobicContact CE1-CG 4.17Å
26Y92Very high86.1Confident31 Ų3170.7 Ų70.712%0.12233%0.331CS..Iπ-helixtrans-57-53.9177.1173.3-98.5000111.9S22 I23 Y24 T28 E30 I31 I354S22-Y26 WeakPolarHBondContact O-CB 3.42Å; S22-Y26 PolarHBondContact O-N 2.68Å; I23-Y26 WeakPolarHBondContact O-CB 3.45Å; I23-Y26 PolarHBondContact O-N 3.47Å; Y24-Y26 VanDerWaalsContact C-N 3.3Å; Y24-Y26 PolarHBondContact O-N 3.21Å; Y26-T28 PolarHBondContact O-N 3.31Å; Y26-E30 HydrophobicContact CD2-CB 4.1Å; Y26-E30 WeakPolarHBondContact CD2-OE2 3.5Å; Y26-E30 PolarHBondContact O-N 3.44Å; Y26-E30 VanDerWaalsContact O-N 3.08Å; Y26-I31 HydrophobicContact CE1-CB 4.41Å; Y26-I31 HydrophobicContact CE1-CD1 4.04Å; Y26-I31 HydrophobicContact CE1-CG1 4.37Å; Y26-I31 WeakPolarHBondContact O-CB 3.41Å; Y26-I31 PolarHBondContact O-N 3.4Å; Y26-I354 HydrophobicContact CD2-CB 4.4Å; Y26-I354 HydrophobicContact CD2-CG1 4.02Å; Y26-I354 HydrophobicContact CD2-CG2 3.93Å; Y26-I354 HydrophobicContact CG-CD1 4.42Å; Y26-I354 HydrophobicContact CG-CG1 4.06Å
27F91.9Very high84.7Confident121 Ų12173.7 Ų73.753%0.53134%0.341SS..Iπ-helixtrans-70.8-30.8-177.4-78-67000114.1I23 Y24 I31I23-F27 HydrophobicContact CG2-CD2 3.67Å; I23-F27 HydrophobicContact CG2-CE2 3.67Å; I23-F27 VanDerWaalsContact O-CD2 3.25Å; I23-F27 WeakPolarHBondContact O-CD2 3.39Å; I23-F27 PolarHBondContact O-N 2.96Å; Y24-F27 PolarHBondContact O-N 3.47Å; F27-I31 HydrophobicContact CD1-CD1 3.93Å; F27-I31 HydrophobicContact CE1-CD1 4.05Å; F27-I31 WeakPolarHBondContact O-CG2 3.48Å
28T89.5Confident83.4Confident41 Ų4177 Ų7725%0.25236%0.357SS..Iπ-helixtrans-88.9-31.7-176.656.30000113.5Y24 F25 Y26Y24-T28 HydrophobicContact CD1-CG2 4.1Å; Y24-T28 HydrophobicContact CD2-CG2 4.14Å; Y24-T28 HydrophobicContact CE1-CG2 3.76Å; Y24-T28 HydrophobicContact CE2-CG2 3.77Å; Y24-T28 HydrophobicContact CG-CG2 4.31Å; Y24-T28 WeakPolarHBondContact O-CB 3.16Å; Y24-T28 WeakPolarHBondContact O-CG2 3.36Å; Y24-T28 PolarHBondContact O-N 3.4Å; Y24-T28 PolarHBondContact O-OG1 2.87Å; F25-T28 PolarHBondContact O-N 3.03Å; Y26-T28 PolarHBondContact O-N 3.31Å
29R85.3Confident82.2Confident103 Ų10376.4 Ų76.439%0.38936%0.357SS..Iπ-helixtrans-120.3-50.5-172.7-60.9-172.6179.6-175.33.8112.5F25 Y33F25-R29 HydrophobicContact CE1-CB 4.36Å; F25-R29 HydrophobicContact CZ-CB 4.36Å; F25-R29 WeakPolarHBondContact O-CA 3.37Å; F25-R29 WeakPolarHBondContact O-CB 3.16Å; F25-R29 PolarHBondContact O-N 3.42Å; R29-Y33 WeakPolarHBondContact O-CD2 2.97Å; R29-Y33 WeakPolarHBondContact O-CE2 3.33Å
30E86.7Confident80.9Confident4 Ų482.6 Ų82.62%0.01939%0.391CS..Iπ-helixtrans-81.4-33.9-170.1-60-172.9166.100115.2F25 Y26 R32 Y33 R190 P245 I354 R357 Y358F25-E30 HydrophobicContact CD1-CG 3.61Å; F25-E30 HydrophobicContact CE1-CG 3.45Å; F25-E30 VanDerWaalsContact CE1-CG 3.45Å; F25-E30 VanDerWaalsContact CE1-OE1 3.26Å; F25-E30 WeakPolarHBondContact CE1-OE1 3.35Å; F25-E30 PolarHBondContact O-N 2.77Å; Y26-E30 HydrophobicContact CD2-CB 4.1Å; Y26-E30 WeakPolarHBondContact CD2-OE2 3.5Å; Y26-E30 PolarHBondContact O-N 3.44Å; Y26-E30 VanDerWaalsContact O-N 3.08Å; E30-R32 PolarHBondContact O-N 2.88Å; E30-Y33 PolarHBondContact O-N 3.14Å; E30-R190 IonicContact OE1-CZ 3.93Å; E30-R190 IonicContact OE1-NE 3.41Å; E30-R190 PolarHBondContact OE1-NE 2.83Å; E30-R190 IonicContact OE1-NH2 3Å; E30-R190 PolarHBondContact OE1-NH2 3.08Å; E30-R190 IonicContact OE2-NE 3.19Å; E30-R190 IonicContact OE2-NH2 2.77Å; E30-P245 HydrophobicContact CG-CG 4.06Å; E30-P245 WeakPolarHBondContact OE1-CB 3.06Å; E30-P245 VanDerWaalsContact OE1-CG 3.28Å; E30-P245 WeakPolarHBondContact OE1-CG 3.03Å; E30-I354 WeakPolarHBondContact OE2-CG2 3.43Å; E30-R357 VanDerWaalsContact C-NH1 3.32Å; E30-R357 PolarHBondContact O-NH1 3.26Å; E30-R357 PolarHBondContact O-NH2 2.83Å; E30-Y358 VanDerWaalsContact CD-OH 3.29Å; E30-Y358 PolarHBondContact OE1-OH 2.82Å; E30-Y358 PolarHBondContact OE2-OH 3.22Å
31I82.7Confident79.5Confident79 Ų7981 Ų8141%0.40538%0.378SS..THydrogen-bonded Turntrans-65.7-27.1-174-160.7170.9000111.9Y26 F27 Y33Y26-I31 HydrophobicContact CE1-CB 4.41Å; Y26-I31 HydrophobicContact CE1-CD1 4.04Å; Y26-I31 HydrophobicContact CE1-CG1 4.37Å; Y26-I31 WeakPolarHBondContact O-CB 3.41Å; Y26-I31 PolarHBondContact O-N 3.4Å; F27-I31 HydrophobicContact CD1-CD1 3.93Å; F27-I31 HydrophobicContact CE1-CD1 4.05Å; F27-I31 WeakPolarHBondContact O-CG2 3.48Å; I31-Y33 VanDerWaalsContact C-N 3.32Å
32R75Confident78.6Confident199 Ų19983.7 Ų83.775%0.75139%0.39SS*.THydrogen-bonded Turntrans-75.7-21.5-179.6-62.8-178.8-176.3178.40.5112.9E30E30-R32 PolarHBondContact O-N 2.88Å
33Y72.9Confident77.5Confident132 Ų13287 Ų8752%0.51841%0.411SS..SBendtrans-89.5118.7177.2-64.6-74.1000109.7R29 E30 I31 L246 R357R29-Y33 WeakPolarHBondContact O-CD2 2.97Å; R29-Y33 WeakPolarHBondContact O-CE2 3.33Å; E30-Y33 PolarHBondContact O-N 3.14Å; I31-Y33 VanDerWaalsContact C-N 3.32Å; Y33-L246 HydrophobicContact CD1-CD1 4.41Å; Y33-L246 HydrophobicContact CG-CD1 4.06Å; Y33-R357 PolarHBondContact O-NH2 2.93Å
34S64.9Low76.6Confident61 Ų6190.8 Ų90.843%0.42743%0.431SS..  trans-74.9129.9163.6178.10000108N36 K37S34-N36 PolarHBondContact O-N 3.45Å; S34-N36 VanDerWaalsContact O-N 3.14Å; S34-N36 PolarHBondContact OG-N 3.29Å; S34-K37 WeakPolarHBondContact O-CB 3.39Å; S34-K37 PolarHBondContact O-N 3.09Å
35L64.2Low76.1Confident64 Ų6490 Ų9034%0.33543%0.433SS..THydrogen-bonded Turntrans-58.4-24.4172.6-67.9163.6000112.1L246 R357 Y358L35-L246 HydrophobicContact CD2-CD2 3.55Å; L35-R357 HydrophobicContact CD1-CB 4.07Å; L35-R357 WeakPolarHBondContact CD1-O 3.22Å; L35-Y358 HydrophobicContact CD2-CD1 3.93Å; L35-Y358 HydrophobicContact CD2-CE1 3.9Å
36N61.8Low75.9Confident150 Ų15090.5 Ų90.580%0.80244%0.435SS*.THydrogen-bonded Turntrans-87.6-10.9178.1-62.1-13.9000112.5S34 K38S34-N36 PolarHBondContact O-N 3.45Å; S34-N36 VanDerWaalsContact O-N 3.14Å; S34-N36 PolarHBondContact OG-N 3.29Å; N36-K38 PolarHBondContact O-N 3.32Å; N36-K38 VanDerWaalsContact O-N 3.09Å
37K63.7Low76Confident143 Ų14393 Ų9362%0.62245%0.448SS*.  trans-80.496175.5-174176.1-177.7-177.40107.1S34 Y146S34-K37 WeakPolarHBondContact O-CB 3.39Å; S34-K37 PolarHBondContact O-N 3.09Å; K37-Y146 PolarHBondContact O-OH 3.06Å
38K65.1Low76.2Confident132 Ų13287.6 Ų87.657%0.57443%0.427SS*.  trans-51.4144165.4-69.3-175.4176.4-178.60109.1N36 D40N36-K38 PolarHBondContact O-N 3.32Å; N36-K38 VanDerWaalsContact O-N 3.09Å; K38-D40 PolarHBondContact O-N 3.16Å
39P67.8Low76.6Confident21 Ų2185.7 Ų85.714%0.13642%0.415CS..  trans-52.9139.4169.913.4-17.1000108.8I41 Y145 Y146P39-I41 HydrophobicContact CB-CG1 4.16Å; P39-I41 HydrophobicContact CG-CD1 4.14Å; P39-I41 HydrophobicContact CG-CG1 4.24Å; P39-I41 WeakPolarHBondContact O-CG1 3.38Å; P39-I41 PolarHBondContact O-N 3.16Å; P39-Y145 HydrophobicContact CG-CG 4.14Å; P39-Y146 HydrophobicContact CG-CD1 4.26Å; P39-Y146 HydrophobicContact CG-CE1 4.07Å
40D67.2Low77.3Confident146 Ų14680.8 Ų80.878%0.78140%0.396SS*.  trans-74.297.7175.6-165.46.2000106.9K38K38-D40 PolarHBondContact O-N 3.16Å
41I66.6Low77.8Confident56 Ų5680.6 Ų80.629%0.28740%0.395SS..  trans-98.1104.1-171.6-60.9152.8000107.9P39 V43 L46 Y145P39-I41 HydrophobicContact CB-CG1 4.16Å; P39-I41 HydrophobicContact CG-CD1 4.14Å; P39-I41 HydrophobicContact CG-CG1 4.24Å; P39-I41 WeakPolarHBondContact O-CG1 3.38Å; P39-I41 PolarHBondContact O-N 3.16Å; I41-V43 HydrophobicContact CG2-CG2 4.35Å; I41-V43 PolarHBondContact O-N 3.23Å; I41-L46 HydrophobicContact CG2-CD1 4.31Å; I41-Y145 HydrophobicContact CD1-CD1 3.34Å; I41-Y145 HydrophobicContact CD1-CD2 4.06Å; I41-Y145 HydrophobicContact CD1-CE1 3.38Å; I41-Y145 HydrophobicContact CD1-CE2 4.1Å; I41-Y145 HydrophobicContact CD1-CG 3.68Å; I41-Y145 HydrophobicContact CG1-CD1 3.58Å; I41-Y145 HydrophobicContact CG1-CE1 3.85Å; I41-Y145 HydrophobicContact CG1-CG 4.21Å; I41-Y145 HydrophobicContact CG2-CD1 4.36Å; I41-Y145 HydrophobicContact CG2-CE1 3.97Å
42N74.7Confident78.6Confident67 Ų6776.8 Ų76.836%0.35838%0.376SS..  trans-77.6109.4156.6-173.6-4.9000108.1D44 E45 L46N42-D44 PolarHBondContact O-N 3.22Å; N42-D44 PolarHBondContact OD1-N 3.28Å; N42-E45 HydrophobicContact CB-CB 4.3Å; N42-E45 PolarHBondContact ND2-OE1 2.9Å; N42-E45 PolarHBondContact O-N 2.91Å; N42-L46 PolarHBondContact O-N 3.49Å
43V71.8Confident79.7Confident70 Ų7067.3 Ų67.342%0.42434%0.34SS..SBendtrans-61.1-32.9-177.3-179.30000111.4I41 E45 L46 K76I41-V43 HydrophobicContact CG2-CG2 4.35Å; I41-V43 PolarHBondContact O-N 3.23Å; V43-E45 VanDerWaalsContact C-N 3.33Å; V43-E45 PolarHBondContact O-N 3.49Å; V43-L46 VanDerWaalsContact O-CB 3.3Å; V43-L46 WeakPolarHBondContact O-CB 3.3Å; V43-L46 PolarHBondContact O-N 2.96Å; V43-K76 PolarHBondContact O-NZ 3.21Å
44D75.6Confident80.8Confident140 Ų14061.5 Ų61.575%0.74932%0.319SS*.THydrogen-bonded Turntrans-66.5-37.6-179.1-64.1-33.4000111.5N42 L46 K76N42-D44 PolarHBondContact O-N 3.22Å; N42-D44 PolarHBondContact OD1-N 3.28Å; D44-L46 VanDerWaalsContact C-N 3.35Å; D44-K76 PolarHBondContact O-NZ 3.48Å
45E84.4Confident82.3Confident125 Ų12558.8 Ų58.858%0.58430%0.3SS*.THydrogen-bonded Turntrans-90.96178.5-65.1176-164.500113.4N42 V43 E47N42-E45 HydrophobicContact CB-CB 4.3Å; N42-E45 PolarHBondContact ND2-OE1 2.9Å; N42-E45 PolarHBondContact O-N 2.91Å; V43-E45 VanDerWaalsContact C-N 3.33Å; V43-E45 PolarHBondContact O-N 3.49Å; E45-E47 PolarHBondContact O-N 3.11Å
46L89.9Confident83.9Confident15 Ų1558.6 Ų58.68%0.07930%0.296CS..PPolyproline II helixtrans-66.6125.9179-170.564.9000109.5I41 N42 V43 D44 Y74 K76 Y145I41-L46 HydrophobicContact CG2-CD1 4.31Å; N42-L46 PolarHBondContact O-N 3.49Å; V43-L46 VanDerWaalsContact O-CB 3.3Å; V43-L46 WeakPolarHBondContact O-CB 3.3Å; V43-L46 PolarHBondContact O-N 2.96Å; D44-L46 VanDerWaalsContact C-N 3.35Å; L46-Y74 HydrophobicContact CD1-CE2 3.75Å; L46-Y74 WeakPolarHBondContact CD1-OH 3.4Å; L46-Y74 HydrophobicContact CD2-CE1 4.34Å; L46-Y74 HydrophobicContact CD2-CE2 4.35Å; L46-Y74 HydrophobicContact CG-CE1 4.45Å; L46-Y74 HydrophobicContact CG-CE2 4.38Å; L46-K76 HydrophobicContact CB-CD 4.12Å; L46-K76 HydrophobicContact CD2-CB 4.35Å; L46-K76 HydrophobicContact CD2-CG 4.37Å; L46-K76 HydrophobicContact CG-CD 4.44Å; L46-K76 WeakPolarHBondContact O-CD 3.32Å; L46-K76 WeakPolarHBondContact O-CE 3.31Å; L46-K76 PolarHBondContact O-NZ 3.34Å; L46-Y145 HydrophobicContact CD1-CD1 4.05Å; L46-Y145 HydrophobicContact CD1-CE1 3.91Å; L46-Y145 HydrophobicContact CD2-CE1 4.12Å
47E94.3Very high85.5Confident85 Ų8554 Ų5440%0.39727%0.271SS..PPolyproline II helixtrans-74.8151.2172.9-68.3-69.5174.800110.5E45 Y74 Y129 I148E45-E47 PolarHBondContact O-N 3.11Å; E47-Y74 PolarHBondContact O-OH 2.86Å; E47-Y129 HydrophobicContact CB-CD2 3.87Å; E47-Y129 HydrophobicContact CB-CE2 3.75Å; E47-Y129 HydrophobicContact CG-CD2 4.33Å; E47-Y129 HydrophobicContact CG-CE2 3.68Å; E47-I148 HydrophobicContact CB-CD1 3.87Å; E47-I148 HydrophobicContact CB-CG1 3.87Å; E47-I148 HydrophobicContact CG-CD1 4.49Å; E47-I148 HydrophobicContact CG-CG1 4.44Å
48G96.7Very high87Confident7 Ų747.7 Ų47.77%0.07224%0.244CC..PPolyproline II helixtrans-79.9145.1173.800000112.4K76 Y127G48-K76 VanDerWaalsContact CA-O 3.31Å; G48-K76 WeakPolarHBondContact CA-O 3.27Å; G48-Y127 WeakPolarHBondContact O-CB 3.31Å
49I98.2Very high88.4Confident0 Ų042.9 Ų42.90%023%0.227CC..EExtended strand (participates in β ladder)trans-123.1125.2174.6-61.7177.9000110.2F51 Y74 K76 K77 E78 Y129 M131 P144 I148 L207I49-F51 HydrophobicContact CB-CD2 4.38Å; I49-F51 HydrophobicContact CB-CE2 3.86Å; I49-F51 HydrophobicContact CG2-CD2 3.85Å; I49-F51 HydrophobicContact CG2-CE2 3.6Å; I49-F51 HydrophobicContact CG2-CG 4.48Å; I49-F51 HydrophobicContact CG2-CZ 4.07Å; I49-Y74 HydrophobicContact CB-CD1 4.5Å; I49-Y74 HydrophobicContact CB-CE1 3.95Å; I49-Y74 HydrophobicContact CD1-CD1 4.33Å; I49-Y74 HydrophobicContact CD1-CE1 3.64Å; I49-Y74 HydrophobicContact CD1-CE2 3.9Å; I49-Y74 WeakPolarHBondContact CD1-OH 3.13Å; I49-Y74 HydrophobicContact CG1-CE1 3.64Å; I49-K76 PolarHBondContact N-O 2.95Å; I49-K77 VanDerWaalsContact O-CA 3.3Å; I49-K77 WeakPolarHBondContact O-CA 3.43Å; I49-E78 PolarHBondContact O-N 3.28Å; I49-Y129 WeakPolarHBondContact CA-O 3.44Å; I49-M131 HydrophobicContact CD1-CE 4.13Å; I49-M131 HydrophobicContact CG2-CB 3.62Å; I49-M131 HydrophobicContact CG2-CE 4.33Å; I49-P144 HydrophobicContact CD1-CB 4.25Å; I49-I148 HydrophobicContact CD1-CB 4.2Å; I49-I148 HydrophobicContact CD1-CD1 4.43Å; I49-I148 HydrophobicContact CG1-CD1 4.31Å; I49-L207 HydrophobicContact CD1-CD1 4.37Å; I49-L207 HydrophobicContact CD1-CD2 4.34Å; I49-L207 HydrophobicContact CG1-CD1 4.43Å; I49-L207 HydrophobicContact CG2-CD1 4.04Å
50T98.8Very high89.6Confident0 Ų048.8 Ų48.80%025%0.252CS..EExtended strand (participates in β ladder)trans-87.4117.2165.3-56.70000109.9L52 E78 I80 A125 Y127 Y129 V130 M131T50-L52 HydrophobicContact CG2-CD2 3.77Å; T50-L52 HydrophobicContact CG2-CG 4.39Å; T50-E78 CarbonylContact C-O 3.5Å; T50-E78 WeakPolarHBondContact CA-O 3.35Å; T50-E78 WeakPolarHBondContact CB-OE2 3.3Å; T50-E78 HydrophobicContact CG2-CB 4.38Å; T50-E78 HydrophobicContact CG2-CG 4.15Å; T50-E78 WeakPolarHBondContact CG2-OE2 3.46Å; T50-E78 PolarHBondContact OG1-OE2 3.09Å; T50-I80 HydrophobicContact CG2-CD1 3.63Å; T50-I80 HydrophobicContact CG2-CG1 3.75Å; T50-A125 HydrophobicContact CG2-CB 3.65Å; T50-Y127 PolarHBondContact OG1-N 2.78Å; T50-Y129 PolarHBondContact N-O 2.87Å; T50-V130 CarbonylContact O-C 3.52Å; T50-V130 WeakPolarHBondContact O-CA 3.13Å; T50-M131 PolarHBondContact O-N 3.21Å
51F98.6Very high90.9Very high0 Ų042 Ų420%022%0.216CC..EExtended strand (participates in β ladder)trans-86.1112.6173.2-67.8-105.1000109.4I49 L53 V69 L72 K77 E78 I79 I80 M131 L133 P144I49-F51 HydrophobicContact CB-CD2 4.38Å; I49-F51 HydrophobicContact CB-CE2 3.86Å; I49-F51 HydrophobicContact CG2-CD2 3.85Å; I49-F51 HydrophobicContact CG2-CE2 3.6Å; I49-F51 HydrophobicContact CG2-CG 4.48Å; I49-F51 HydrophobicContact CG2-CZ 4.07Å; F51-L53 HydrophobicContact CB-CD1 4.06Å; F51-V69 HydrophobicContact CB-CG1 4.02Å; F51-V69 HydrophobicContact CD1-CG1 3.9Å; F51-V69 HydrophobicContact CG-CG1 4Å; F51-L72 HydrophobicContact CD1-CD1 4.15Å; F51-L72 HydrophobicContact CE1-CD1 3.38Å; F51-L72 HydrophobicContact CZ-CD1 3.75Å; F51-K77 HydrophobicContact CD2-CB 3.79Å; F51-K77 HydrophobicContact CE2-CB 3.5Å; F51-K77 HydrophobicContact CE2-CD 4.39Å; F51-E78 PolarHBondContact N-O 2.85Å; F51-I79 HydrophobicContact CB-CG1 4.39Å; F51-I80 PolarHBondContact O-N 2.85Å; F51-M131 CarbonylContact C-O 3.58Å; F51-M131 WeakPolarHBondContact CA-O 3.37Å; F51-M131 HydrophobicContact CD1-CB 4.14Å; F51-M131 HydrophobicContact CD1-CG 4.13Å; F51-M131 HydrophobicContact CD1-SD 3.66Å; F51-M131 HydrophobicContact CE1-CB 4.43Å; F51-M131 HydrophobicContact CE1-CE 4.44Å; F51-M131 HydrophobicContact CE1-CG 4.24Å; F51-M131 HydrophobicContact CE1-SD 3.18Å; F51-M131 WeakPolarHBondContact CE1-SD 3.26Å; F51-M131 HydrophobicContact CG-CB 4.42Å; F51-M131 HydrophobicContact CZ-SD 3.84Å; F51-L133 HydrophobicContact CD1-CD1 3.92Å; F51-P144 HydrophobicContact CE1-CG 4.2Å; F51-P144 HydrophobicContact CZ-CB 4.19Å; F51-P144 HydrophobicContact CZ-CG 4.03Å
52L98.2Very high92.3Very high0 Ų039.3 Ų39.30%020%0.202CC..EExtended strand (participates in β ladder)trans-99.2114.5174.9-61.2-174.2000110.1T50 I80 I82 L118 I122 V130 M131 L133T50-L52 HydrophobicContact CG2-CD2 3.77Å; T50-L52 HydrophobicContact CG2-CG 4.39Å; L52-I80 WeakPolarHBondContact CA-O 3.43Å; L52-I80 HydrophobicContact CD2-CB 3.66Å; L52-I80 HydrophobicContact CD2-CD1 3.95Å; L52-I80 HydrophobicContact CD2-CG1 4.08Å; L52-I80 HydrophobicContact CD2-CG2 4.23Å; L52-I82 HydrophobicContact CB-CD1 4.41Å; L52-I82 HydrophobicContact CD2-CD1 4.31Å; L52-L118 HydrophobicContact CB-CD2 4.49Å; L52-I122 HydrophobicContact CD1-CB 3.99Å; L52-V130 HydrophobicContact CD1-CG1 3.23Å; L52-V130 HydrophobicContact CG-CG1 3.55Å; L52-M131 PolarHBondContact N-O 3.41Å; L52-L133 PolarHBondContact O-N 2.87Å
53L98Very high93.3Very high0 Ų041.3 Ų41.30%021%0.209CC..EExtended strand (participates in β ladder)trans-108.2112.3175.4-73.871000108.7F51 T65 V69 I79 I80 I81 I82 L133F51-L53 HydrophobicContact CB-CD1 4.06Å; L53-T65 HydrophobicContact CD2-CG2 3.73Å; L53-V69 HydrophobicContact CD1-CG1 4.35Å; L53-V69 HydrophobicContact CD1-CG2 4.39Å; L53-V69 HydrophobicContact CD2-CG2 4.24Å; L53-I79 HydrophobicContact CD1-CG2 4.42Å; L53-I80 PolarHBondContact N-O 3.27Å; L53-I81 HydrophobicContact CB-CG1 4.49Å; L53-I81 HydrophobicContact CB-CG2 4.42Å; L53-I81 CarbonylContact O-C 3.59Å; L53-I81 WeakPolarHBondContact O-CA 3.27Å; L53-I82 PolarHBondContact O-N 3.09Å; L53-L133 HydrophobicContact CD1-CB 4.4Å; L53-L133 HydrophobicContact CD1-CD1 3.96Å; L53-L133 HydrophobicContact CG-CB 4.13Å; L53-L133 HydrophobicContact CG-CD1 4.31Å
54A96.8Very high94.5Very high9 Ų941.3 Ų41.37%0.07421%0.207CC..EExtended strand (participates in β ladder)trans-96.7129.3174.100000110.1K114 A117 L118A54-K114 HydrophobicContact CB-CG 4.14Å; A54-A117 HydrophobicContact CB-CB 3.9Å; A54-L118 HydrophobicContact CB-CD2 4.18Å
55C96.8Very high95.5Very high4 Ų434.6 Ų34.63%0.02717%0.171CC..EExtended strand (participates in β ladder)trans-132.5144.8-178.760.70000112.3E58 I62 I82 N83 D84 T90 A135C55-E58 HydrophobicContact CB-CB 4.08Å; C55-E58 HydrophobicContact CB-CG 4.15Å; C55-I62 HydrophobicContact CB-CD1 4.19Å; C55-I82 PolarHBondContact N-O 3.19Å; C55-I82 PolarHBondContact SG-O 3.49Å; C55-N83 VanDerWaalsContact SG-CA 3.59Å; C55-D84 PolarHBondContact O-N 3.14Å; C55-T90 HydrophobicContact CB-CG2 4.33Å; C55-A135 HydrophobicContact CB-CB 3.65Å
56Y96.7Very high96.1Very high61 Ų6128.7 Ų28.724%0.23914%0.144CC..SBendtrans-151.6112.4170.9173.8-115.1000109.8D84 G85 S86 N111Y56-D84 WeakPolarHBondContact CD2-O 3.45Å; Y56-G85 WeakPolarHBondContact CE2-O 3.38Å; Y56-S86 WeakPolarHBondContact CA-OG 3.33Å; Y56-N111 WeakPolarHBondContact CD1-ND2 3.04Å; Y56-N111 HydrophobicContact CD2-CB 4.23Å; Y56-N111 WeakPolarHBondContact CD2-ND2 3.48Å; Y56-N111 HydrophobicContact CE2-CB 3.7Å; Y56-N111 WeakPolarHBondContact CE2-ND2 3.4Å
57N96Very high96.4Very high52 Ų5230.8 Ų30.828%0.27816%0.159SC..SBendtrans53.958.4-173-63.1-17.7000112.5S86 S87 D88N57-S86 PolarHBondContact N-OG 2.91Å; N57-S86 WeakPolarHBondContact OD1-CA 3.02Å; N57-S86 WeakPolarHBondContact OD1-CB 3.47Å; N57-S87 PolarHBondContact ND2-OG 2.64Å; N57-S87 VanDerWaalsContact ND2-OG 3.15Å; N57-S87 PolarHBondContact OD1-N 3.09Å; N57-S87 PolarHBondContact OD1-OG 3.33Å; N57-S87 VanDerWaalsContact OD1-OG 3.14Å; N57-D88 VanDerWaalsContact CA-OD2 3.31Å; N57-D88 WeakPolarHBondContact CA-OD2 3.34Å; N57-D88 PolarHBondContact OD1-N 3.22Å
58E95.2Very high96.6Very high12 Ų1227.9 Ų27.96%0.05615%0.147CC..  trans-121.128.2-172.7-67.2-70.8172.300111.4C55 E60 T61 I62 T90 A135 S404 R407C55-E58 HydrophobicContact CB-CB 4.08Å; C55-E58 HydrophobicContact CB-CG 4.15Å; E58-E60 PolarHBondContact O-N 3.26Å; E58-E60 VanDerWaalsContact O-N 3.13Å; E58-T61 PolarHBondContact O-N 3.37Å; E58-T61 VanDerWaalsContact O-N 3.07Å; E58-T61 PolarHBondContact O-OG1 3.24Å; E58-T61 PolarHBondContact OE2-OG1 2.79Å; E58-I62 VanDerWaalsContact O-CB 3.29Å; E58-I62 WeakPolarHBondContact O-CB 3.36Å; E58-I62 VanDerWaalsContact O-CG2 3.29Å; E58-I62 WeakPolarHBondContact O-CG2 3.49Å; E58-I62 PolarHBondContact O-N 2.97Å; E58-T90 PolarHBondContact N-OG1 2.88Å; E58-A135 HydrophobicContact CB-CB 3.83Å; E58-A135 HydrophobicContact CG-CB 3.67Å; E58-S404 PolarHBondContact OE1-OG 3.27Å; E58-R407 VanDerWaalsContact CD-NH1 3.28Å; E58-R407 IonicContact OE1-CZ 3.79Å; E58-R407 IonicContact OE1-NH1 2.84Å; E58-R407 PolarHBondContact OE1-NH1 3.5Å; E58-R407 VanDerWaalsContact OE1-NH1 3.11Å; E58-R407 IonicContact OE1-NH2 3.43Å; E58-R407 PolarHBondContact OE1-NH2 2.9Å; E58-R407 IonicContact OE2-CZ 2.69Å; E58-R407 IonicContact OE2-NH1 3.41Å; E58-R407 PolarHBondContact OE2-NH1 2.74Å; E58-R407 IonicContact OE2-NH2 3.86Å
59S94.8Very high96.6Very high31 Ų3127.5 Ų27.522%0.21714%0.143CC..THydrogen-bonded Turntrans-55.7-29.9-178.849.50000114D88 N89 T90 L93S59-D88 VanDerWaalsContact CB-OD2 3.22Å; S59-D88 WeakPolarHBondContact CB-OD2 3.26Å; S59-D88 PolarHBondContact N-OD2 3.4Å; S59-D88 PolarHBondContact OG-OD2 2.93Å; S59-N89 WeakPolarHBondContact CB-OD1 3.28Å; S59-T90 PolarHBondContact N-OG1 3.38Å; S59-L93 WeakPolarHBondContact O-CD1 3.47Å
60E93Very high96.6Very high144 Ų14429.5 Ų29.567%0.67315%0.153SC*.THydrogen-bonded Turntrans-78.7-17.4-179.9-62.6-175.5177.300114.4E58E58-E60 PolarHBondContact O-N 3.26Å; E58-E60 VanDerWaalsContact O-N 3.13Å
61T94.7Very high96.5Very high3 Ų332.6 Ų32.62%0.01818%0.179CC..THydrogen-bonded Turntrans-127.3-25.8-166.159.70000113.1E58 E63 D64 T65 A135 D136 L252E58-T61 PolarHBondContact O-N 3.37Å; E58-T61 VanDerWaalsContact O-N 3.07Å; E58-T61 PolarHBondContact O-OG1 3.24Å; E58-T61 PolarHBondContact OE2-OG1 2.79Å; T61-E63 VanDerWaalsContact C-N 3.31Å; T61-E63 PolarHBondContact O-N 2.99Å; T61-D64 PolarHBondContact O-N 2.74Å; T61-T65 PolarHBondContact O-N 3.42Å; T61-T65 VanDerWaalsContact O-N 3.17Å; T61-T65 PolarHBondContact O-OG1 3.25Å; T61-A135 CarbonylContact C-O 3.57Å; T61-A135 PolarHBondContact OG1-O 3.24Å; T61-D136 HydrophobicContact CG2-CB 4.1Å; T61-L252 HydrophobicContact CG2-CD1 3.74Å
62I95.8Very high96.4Very high0 Ų033 Ų330%018%0.181CC..Hα-helixtrans-62.3-36.3-171.4-170.659.6000113C55 E58 L66 I81 T90 L93 I94 A135C55-I62 HydrophobicContact CB-CD1 4.19Å; E58-I62 VanDerWaalsContact O-CB 3.29Å; E58-I62 WeakPolarHBondContact O-CB 3.36Å; E58-I62 VanDerWaalsContact O-CG2 3.29Å; E58-I62 WeakPolarHBondContact O-CG2 3.49Å; E58-I62 PolarHBondContact O-N 2.97Å; I62-L66 WeakPolarHBondContact O-CB 3.07Å; I62-L66 PolarHBondContact O-N 3.49Å; I62-I81 HydrophobicContact CD1-CG2 4.49Å; I62-T90 HydrophobicContact CG2-CG2 4.44Å; I62-L93 HydrophobicContact CG2-CB 4.44Å; I62-L93 HydrophobicContact CG2-CD1 4.34Å; I62-I94 HydrophobicContact CG1-CD1 4.08Å; I62-I94 HydrophobicContact CG1-CG1 3.85Å; I62-A135 HydrophobicContact CD1-CB 4.09Å
63E95.9Very high96.1Very high109 Ų10939.1 Ų39.151%0.50921%0.208SC..Hα-helixtrans-64.8-45.3-179.9-176.1171.2-152.400111.6T61 S67 I97T61-E63 VanDerWaalsContact C-N 3.31Å; T61-E63 PolarHBondContact O-N 2.99Å; E63-S67 WeakPolarHBondContact O-CB 3.28Å; E63-S67 PolarHBondContact O-N 2.62Å; E63-S67 PolarHBondContact O-OG 3.47Å; E63-I97 HydrophobicContact CB-CD1 4.22Å; E63-I97 HydrophobicContact CG-CD1 4.1Å
64D95.8Very high95.9Very high70 Ų7039.1 Ų39.137%0.37421%0.208SC..Hα-helixtrans-60.5-50.4176.6-884000111.2T61 N68 I138 R167T61-D64 PolarHBondContact O-N 2.74Å; D64-N68 WeakPolarHBondContact O-CB 3.36Å; D64-N68 PolarHBondContact O-N 2.86Å; D64-I138 HydrophobicContact CB-CD1 4.2Å; D64-R167 IonicContact OD2-CZ 3.42Å; D64-R167 IonicContact OD2-NH1 2.98Å; D64-R167 PolarHBondContact OD2-NH1 2.84Å; D64-R167 IonicContact OD2-NH2 2.86Å; D64-R167 PolarHBondContact OD2-NH2 3.49Å
65T96.9Very high95.7Very high0 Ų045.4 Ų45.40%024%0.236CC..Hα-helixtrans-63.7-47.8-178.2-62.60000111L53 T61 N68 V69 A135 T137L53-T65 HydrophobicContact CD2-CG2 3.73Å; T61-T65 PolarHBondContact O-N 3.42Å; T61-T65 VanDerWaalsContact O-N 3.17Å; T61-T65 PolarHBondContact O-OG1 3.25Å; T65-N68 WeakPolarHBondContact O-CB 3.38Å; T65-N68 PolarHBondContact O-N 3.25Å; T65-V69 WeakPolarHBondContact O-CG2 3.35Å; T65-V69 PolarHBondContact O-N 3.1Å; T65-A135 VanDerWaalsContact CB-O 3.24Å; T65-A135 WeakPolarHBondContact CB-O 3.44Å; T65-A135 VanDerWaalsContact OG1-C 3.22Å; T65-A135 PolarHBondContact OG1-O 3.38Å; T65-T137 WeakPolarHBondContact CG2-O 3.37Å; T65-T137 PolarHBondContact OG1-N 2.95Å
66L97.3Very high95.6Very high0 Ų048.8 Ų48.80%025%0.25CC..Hα-helixtrans-65.4-43.5-179.7-179.852.2000111.4I62 N68 V69 L70 I79 I81 I97 F103I62-L66 WeakPolarHBondContact O-CB 3.07Å; I62-L66 PolarHBondContact O-N 3.49Å; L66-N68 VanDerWaalsContact C-N 3.29Å; L66-N68 PolarHBondContact O-N 3.42Å; L66-V69 PolarHBondContact O-N 3.17Å; L66-L70 HydrophobicContact CD1-CD1 3.93Å; L66-L70 HydrophobicContact CD1-CG 3.98Å; L66-L70 HydrophobicContact CG-CD1 3.81Å; L66-L70 HydrophobicContact CG-CG 4.37Å; L66-L70 WeakPolarHBondContact O-CB 3.34Å; L66-L70 VanDerWaalsContact O-CG 3.29Å; L66-L70 WeakPolarHBondContact O-CG 3.49Å; L66-L70 PolarHBondContact O-N 3.32Å; L66-I79 HydrophobicContact CD1-CG2 4.24Å; L66-I81 HydrophobicContact CD1-CD1 3.4Å; L66-I81 VanDerWaalsContact CD1-CD1 3.4Å; L66-I81 HydrophobicContact CD1-CG1 4.3Å; L66-I81 HydrophobicContact CD2-CD1 3.39Å; L66-I81 HydrophobicContact CG-CD1 3.95Å; L66-I97 HydrophobicContact CD2-CB 3.98Å; L66-I97 HydrophobicContact CD2-CD1 3.88Å; L66-I97 HydrophobicContact CD2-CG2 3.55Å; L66-I97 HydrophobicContact CG-CG2 4.17Å; L66-F103 HydrophobicContact CD2-CE1 4.01Å; L66-F103 HydrophobicContact CD2-CZ 3.86Å
67S96.8Very high95.6Very high59 Ų5948.1 Ų48.141%0.41325%0.249SC..Hα-helixtrans-60-40.9175.4-61.50000111.6E63 A71E63-S67 WeakPolarHBondContact O-CB 3.28Å; E63-S67 PolarHBondContact O-N 2.62Å; E63-S67 PolarHBondContact O-OG 3.47Å; S67-A71 VanDerWaalsContact O-CB 3.23Å; S67-A71 WeakPolarHBondContact O-CB 3.3Å; S67-A71 PolarHBondContact O-N 3.17Å
68N97.5Very high95.7Very high24 Ų2447.3 Ų47.313%0.12824%0.243CC..Hα-helixtrans-61.7-48.7174.6170.1-100.4000112.1D64 T65 L66 A71 L72 I138 V139D64-N68 WeakPolarHBondContact O-CB 3.36Å; D64-N68 PolarHBondContact O-N 2.86Å; T65-N68 WeakPolarHBondContact O-CB 3.38Å; T65-N68 PolarHBondContact O-N 3.25Å; L66-N68 VanDerWaalsContact C-N 3.29Å; L66-N68 PolarHBondContact O-N 3.42Å; N68-A71 CarbonylContact O-C 3.6Å; N68-A71 PolarHBondContact O-N 3.16Å; N68-L72 PolarHBondContact O-N 3.44Å; N68-L72 VanDerWaalsContact O-N 3.08Å; N68-I138 HydrophobicContact CB-CD1 4.09Å; N68-I138 HydrophobicContact CB-CG2 4.42Å; N68-I138 WeakPolarHBondContact ND2-CG2 3.24Å; N68-V139 PolarHBondContact ND2-O 2.59Å; N68-V139 VanDerWaalsContact ND2-O 3.09Å; N68-V139 PolarHBondContact OD1-N 2.99Å; N68-V139 PolarHBondContact OD1-O 3.07Å
69V97.8Very high95.8Very high0 Ų047.2 Ų47.20%024%0.243CC..Hα-helixtrans-65.5-41.4-178.8176.30000111.4F51 L53 T65 L66 A71 L72 K77 I79 L133F51-V69 HydrophobicContact CB-CG1 4.02Å; F51-V69 HydrophobicContact CD1-CG1 3.9Å; F51-V69 HydrophobicContact CG-CG1 4Å; L53-V69 HydrophobicContact CD1-CG1 4.35Å; L53-V69 HydrophobicContact CD1-CG2 4.39Å; L53-V69 HydrophobicContact CD2-CG2 4.24Å; T65-V69 WeakPolarHBondContact O-CG2 3.35Å; T65-V69 PolarHBondContact O-N 3.1Å; L66-V69 PolarHBondContact O-N 3.17Å; V69-A71 VanDerWaalsContact C-N 3.28Å; V69-A71 PolarHBondContact O-N 3.14Å; V69-L72 HydrophobicContact CB-CD1 4.43Å; V69-L72 HydrophobicContact CG1-CD1 4.23Å; V69-L72 WeakPolarHBondContact O-CB 3.47Å; V69-L72 PolarHBondContact O-N 3.26Å; V69-K77 PolarHBondContact O-NZ 3.25Å; V69-I79 HydrophobicContact CG1-CD1 3.83Å; V69-I79 HydrophobicContact CG1-CG1 3.9Å; V69-I79 HydrophobicContact CG1-CG2 4.46Å; V69-L133 HydrophobicContact CG2-CD1 3.57Å
70L97.2Very high96Very high41 Ų4145.7 Ų45.722%0.21523%0.232CC..Hα-helixtrans-59.7-39.1172.9-74.9165.9000111.6L66 L72 K77 I79 I97 N101L66-L70 HydrophobicContact CD1-CD1 3.93Å; L66-L70 HydrophobicContact CD1-CG 3.98Å; L66-L70 HydrophobicContact CG-CD1 3.81Å; L66-L70 HydrophobicContact CG-CG 4.37Å; L66-L70 WeakPolarHBondContact O-CB 3.34Å; L66-L70 VanDerWaalsContact O-CG 3.29Å; L66-L70 WeakPolarHBondContact O-CG 3.49Å; L66-L70 PolarHBondContact O-N 3.32Å; L70-L72 VanDerWaalsContact C-N 3.34Å; L70-L72 PolarHBondContact O-N 3Å; L70-K77 PolarHBondContact O-NZ 3.43Å; L70-I79 HydrophobicContact CD2-CD1 3.64Å; L70-I79 HydrophobicContact CG-CD1 4.11Å; L70-I97 HydrophobicContact CD1-CG2 4.21Å; L70-N101 HydrophobicContact CD1-CB 3.98Å; L70-N101 HydrophobicContact CD2-CB 4.1Å
71A96.9Very high96.3Very high66 Ų6638.9 Ų38.955%0.54520%0.2SC..THydrogen-bonded Turntrans-82-2.3179.100000115S67 N68 V69 K73 Q141S67-A71 VanDerWaalsContact O-CB 3.23Å; S67-A71 WeakPolarHBondContact O-CB 3.3Å; S67-A71 PolarHBondContact O-N 3.17Å; N68-A71 CarbonylContact O-C 3.6Å; N68-A71 PolarHBondContact O-N 3.16Å; V69-A71 VanDerWaalsContact C-N 3.28Å; V69-A71 PolarHBondContact O-N 3.14Å; A71-K73 PolarHBondContact O-N 2.8Å; A71-Q141 PolarHBondContact O-OE1 3.13Å
72L96.6Very high96.4Very high8 Ų838.7 Ų38.74%0.04220%0.199CC..  trans-58.5133.9177.4-73.3172.3000111.5F51 N68 V69 L70 Y74 K77 V139 P144F51-L72 HydrophobicContact CD1-CD1 4.15Å; F51-L72 HydrophobicContact CE1-CD1 3.38Å; F51-L72 HydrophobicContact CZ-CD1 3.75Å; N68-L72 PolarHBondContact O-N 3.44Å; N68-L72 VanDerWaalsContact O-N 3.08Å; V69-L72 HydrophobicContact CB-CD1 4.43Å; V69-L72 HydrophobicContact CG1-CD1 4.23Å; V69-L72 WeakPolarHBondContact O-CB 3.47Å; V69-L72 PolarHBondContact O-N 3.26Å; L70-L72 VanDerWaalsContact C-N 3.34Å; L70-L72 PolarHBondContact O-N 3Å; L72-Y74 PolarHBondContact O-N 2.9Å; L72-K77 PolarHBondContact O-NZ 2.98Å; L72-V139 HydrophobicContact CD1-CB 4.5Å; L72-V139 HydrophobicContact CD1-CG1 4.43Å; L72-V139 HydrophobicContact CD2-CB 4.21Å; L72-V139 HydrophobicContact CD2-CG1 4.15Å; L72-P144 HydrophobicContact CD1-CG 4.29Å
73K92.1Very high96.6Very high128 Ų12838.9 Ų38.956%0.55720%0.2SC*.SBendtrans-66.8-1.3174.9-69.6172.6-173.3173.30114.8A71 E75 Q141 Y145A71-K73 PolarHBondContact O-N 2.8Å; K73-E75 PolarHBondContact O-N 2.79Å; K73-Q141 HydrophobicContact CD-CB 4.43Å; K73-Y145 PolarHBondContact O-OH 2.95Å
74Y94.1Very high96.6Very high0 Ų033.8 Ų33.80%018%0.177CC..  trans-75.6108.8176.7-159.1-89.7000109.9L46 E47 I49 L72 K76 K77 P144 Y145 I148L46-Y74 HydrophobicContact CD1-CE2 3.75Å; L46-Y74 WeakPolarHBondContact CD1-OH 3.4Å; L46-Y74 HydrophobicContact CD2-CE1 4.34Å; L46-Y74 HydrophobicContact CD2-CE2 4.35Å; L46-Y74 HydrophobicContact CG-CE1 4.45Å; L46-Y74 HydrophobicContact CG-CE2 4.38Å; E47-Y74 PolarHBondContact O-OH 2.86Å; I49-Y74 HydrophobicContact CB-CD1 4.5Å; I49-Y74 HydrophobicContact CB-CE1 3.95Å; I49-Y74 HydrophobicContact CD1-CD1 4.33Å; I49-Y74 HydrophobicContact CD1-CE1 3.64Å; I49-Y74 HydrophobicContact CD1-CE2 3.9Å; I49-Y74 WeakPolarHBondContact CD1-OH 3.13Å; I49-Y74 HydrophobicContact CG1-CE1 3.64Å; L72-Y74 PolarHBondContact O-N 2.9Å; Y74-K76 WeakPolarHBondContact CE1-O 3.33Å; Y74-K77 HydrophobicContact CD1-CB 4.28Å; Y74-K77 WeakPolarHBondContact O-CD 3.2Å; Y74-K77 VanDerWaalsContact O-CG 3.3Å; Y74-K77 WeakPolarHBondContact O-CG 2.97Å; Y74-P144 HydrophobicContact CD2-CB 3.7Å; Y74-P144 HydrophobicContact CE2-CB 4.18Å; Y74-P144 HydrophobicContact CG-CB 4.12Å; Y74-Y145 WeakPolarHBondContact CA-OH 3.36Å; Y74-Y145 AromaticContact CD2-CD1 3.62Å; Y74-Y145 HydrophobicContact CD2-CD1 3.62Å; Y74-Y145 AromaticContact CD2-CD2 3.99Å; Y74-Y145 HydrophobicContact CD2-CD2 3.99Å; Y74-Y145 AromaticContact CD2-CE1 3.45Å; Y74-Y145 HydrophobicContact CD2-CE1 3.45Å; Y74-Y145 VanDerWaalsContact CD2-CE1 3.45Å; Y74-Y145 AromaticContact CD2-CE2 3.84Å; Y74-Y145 HydrophobicContact CD2-CE2 3.84Å; Y74-Y145 AromaticContact CD2-CG 3.91Å; Y74-Y145 HydrophobicContact CD2-CG 3.91Å; Y74-Y145 AromaticContact CD2-CZ 3.59Å; Y74-Y145 AromaticContact CE2-CD1 3.55Å; Y74-Y145 HydrophobicContact CE2-CD1 3.55Å; Y74-Y145 AromaticContact CE2-CE1 3.65Å; Y74-Y145 HydrophobicContact CE2-CE1 3.65Å; Y74-Y145 HydrophobicContact CE2-CG 4.08Å; Y74-Y145 HydrophobicContact CG-CE1 4.43Å; Y74-I148 HydrophobicContact CE2-CG2 4.2Å
75E91.4Very high96.6Very high142 Ų14231.2 Ų31.266%0.66417%0.167SC*.SBendtrans-74-46.3-168.7-64.4-177.917700113.4K73 K77K73-E75 PolarHBondContact O-N 2.79Å; E75-K77 PolarHBondContact O-N 2.88Å
76K95Very high96.6Very high74 Ų7432.3 Ų32.332%0.32217%0.174SC..SBendtrans-82.266.8-179.9-66.4-175.6-171.3174.50111V43 D44 L46 G48 I49 Y74V43-K76 PolarHBondContact O-NZ 3.21Å; D44-K76 PolarHBondContact O-NZ 3.48Å; L46-K76 HydrophobicContact CB-CD 4.12Å; L46-K76 HydrophobicContact CD2-CB 4.35Å; L46-K76 HydrophobicContact CD2-CG 4.37Å; L46-K76 HydrophobicContact CG-CD 4.44Å; L46-K76 WeakPolarHBondContact O-CD 3.32Å; L46-K76 WeakPolarHBondContact O-CE 3.31Å; L46-K76 PolarHBondContact O-NZ 3.34Å; G48-K76 VanDerWaalsContact CA-O 3.31Å; G48-K76 WeakPolarHBondContact CA-O 3.27Å; I49-K76 PolarHBondContact N-O 2.95Å; Y74-K76 WeakPolarHBondContact CE1-O 3.33Å
77K96.5Very high96.5Very high48 Ų4837.1 Ų37.121%0.20921%0.208CC..EExtended strand (participates in β ladder)trans-119145.4179.465.3-178.7175.9-172.70112.7I49 F51 V69 L70 L72 Y74 E75I49-K77 VanDerWaalsContact O-CA 3.3Å; I49-K77 WeakPolarHBondContact O-CA 3.43Å; F51-K77 HydrophobicContact CD2-CB 3.79Å; F51-K77 HydrophobicContact CE2-CB 3.5Å; F51-K77 HydrophobicContact CE2-CD 4.39Å; V69-K77 PolarHBondContact O-NZ 3.25Å; L70-K77 PolarHBondContact O-NZ 3.43Å; L72-K77 PolarHBondContact O-NZ 2.98Å; Y74-K77 HydrophobicContact CD1-CB 4.28Å; Y74-K77 WeakPolarHBondContact O-CD 3.2Å; Y74-K77 VanDerWaalsContact O-CG 3.3Å; Y74-K77 WeakPolarHBondContact O-CG 2.97Å; E75-K77 PolarHBondContact O-N 2.88Å
78E98.2Very high96.5Very high34 Ų3436.8 Ų36.816%0.15920%0.202CC..EExtended strand (participates in β ladder)trans-117.7141.5165.3171.9-175.6-106.800107.1I49 T50 F51 I80 A125 S126 Y127I49-E78 PolarHBondContact O-N 3.28Å; T50-E78 CarbonylContact C-O 3.5Å; T50-E78 WeakPolarHBondContact CA-O 3.35Å; T50-E78 WeakPolarHBondContact CB-OE2 3.3Å; T50-E78 HydrophobicContact CG2-CB 4.38Å; T50-E78 HydrophobicContact CG2-CG 4.15Å; T50-E78 WeakPolarHBondContact CG2-OE2 3.46Å; T50-E78 PolarHBondContact OG1-OE2 3.09Å; F51-E78 PolarHBondContact N-O 2.85Å; E78-I80 HydrophobicContact CG-CG1 4.17Å; E78-A125 WeakPolarHBondContact OE2-CA 3.3Å; E78-S126 VanDerWaalsContact OE1-CB 3.28Å; E78-S126 WeakPolarHBondContact OE1-CB 3.39Å; E78-S126 PolarHBondContact OE1-OG 2.73Å; E78-S126 PolarHBondContact OE2-N 3.07Å; E78-S126 PolarHBondContact OE2-OG 2.84Å; E78-Y127 HydrophobicContact CB-CD2 3.8Å; E78-Y127 HydrophobicContact CB-CE2 3.6Å
79I98.5Very high96.4Very high10 Ų1039 Ų395%0.05121%0.213CC..EExtended strand (participates in β ladder)trans-118.7128.3179.3-59.8167.3000108.1F51 L53 L66 V69 L70 I81 F103 I104F51-I79 HydrophobicContact CB-CG1 4.39Å; L53-I79 HydrophobicContact CD1-CG2 4.42Å; L66-I79 HydrophobicContact CD1-CG2 4.24Å; V69-I79 HydrophobicContact CG1-CD1 3.83Å; V69-I79 HydrophobicContact CG1-CG1 3.9Å; V69-I79 HydrophobicContact CG1-CG2 4.46Å; L70-I79 HydrophobicContact CD2-CD1 3.64Å; L70-I79 HydrophobicContact CG-CD1 4.11Å; I79-I81 HydrophobicContact CG2-CG1 4.19Å; I79-F103 HydrophobicContact CB-CB 3.76Å; I79-F103 HydrophobicContact CG2-CB 3.86Å; I79-F103 WeakPolarHBondContact O-CB 3.47Å; I79-I104 PolarHBondContact O-N 3.45Å
80I98.5Very high96.4Very high0 Ų039 Ų390%021%0.213CC..EExtended strand (participates in β ladder)trans-128.5122.2174.9-47.5-172.7000108.1T50 F51 L52 L53 E78 I82 I104 V106 Q124 A125T50-I80 HydrophobicContact CG2-CD1 3.63Å; T50-I80 HydrophobicContact CG2-CG1 3.75Å; F51-I80 PolarHBondContact O-N 2.85Å; L52-I80 WeakPolarHBondContact CA-O 3.43Å; L52-I80 HydrophobicContact CD2-CB 3.66Å; L52-I80 HydrophobicContact CD2-CD1 3.95Å; L52-I80 HydrophobicContact CD2-CG1 4.08Å; L52-I80 HydrophobicContact CD2-CG2 4.23Å; L53-I80 PolarHBondContact N-O 3.27Å; E78-I80 HydrophobicContact CG-CG1 4.17Å; I80-I82 HydrophobicContact CG2-CD1 4Å; I80-I82 HydrophobicContact CG2-CG1 4.28Å; I80-I104 CarbonylContact C-O 3.51Å; I80-I104 WeakPolarHBondContact CA-O 3.44Å; I80-I104 HydrophobicContact CB-CB 4.38Å; I80-I104 HydrophobicContact CD1-CD1 4.13Å; I80-I104 HydrophobicContact CG1-CB 4.09Å; I80-I104 HydrophobicContact CG1-CD1 4.18Å; I80-I104 HydrophobicContact CG2-CB 4.14Å; I80-I104 HydrophobicContact CG2-CG2 4.12Å; I80-V106 HydrophobicContact CG2-CG2 4Å; I80-Q124 HydrophobicContact CD1-CB 3.84Å; I80-A125 HydrophobicContact CD1-CB 4.42Å
81I98.4Very high96.4Very high0 Ų037.9 Ų37.90%021%0.21CC..EExtended strand (participates in β ladder)trans-107.6132.6177-47.7-179000108.1L53 I62 L66 I79 I94 F103 I104 F105 V106L53-I81 HydrophobicContact CB-CG1 4.49Å; L53-I81 HydrophobicContact CB-CG2 4.42Å; L53-I81 CarbonylContact O-C 3.59Å; L53-I81 WeakPolarHBondContact O-CA 3.27Å; I62-I81 HydrophobicContact CD1-CG2 4.49Å; L66-I81 HydrophobicContact CD1-CD1 3.4Å; L66-I81 VanDerWaalsContact CD1-CD1 3.4Å; L66-I81 HydrophobicContact CD1-CG1 4.3Å; L66-I81 HydrophobicContact CD2-CD1 3.39Å; L66-I81 HydrophobicContact CG-CD1 3.95Å; I79-I81 HydrophobicContact CG2-CG1 4.19Å; I81-I94 HydrophobicContact CD1-CG2 4.11Å; I81-I94 HydrophobicContact CG2-CD1 3.85Å; I81-I94 HydrophobicContact CG2-CG1 4.49Å; I81-I94 HydrophobicContact CG2-CG2 4.5Å; I81-F103 HydrophobicContact CD1-CD2 3.57Å; I81-F103 HydrophobicContact CD1-CE2 3.38Å; I81-F103 HydrophobicContact CD1-CG 4.28Å; I81-F103 HydrophobicContact CD1-CZ 3.93Å; I81-F103 HydrophobicContact CG1-CD2 3.87Å; I81-F103 HydrophobicContact CG1-CE2 4.09Å; I81-I104 PolarHBondContact N-O 3Å; I81-F105 HydrophobicContact CB-CD2 4.19Å; I81-F105 HydrophobicContact CG2-CD2 4.41Å; I81-V106 PolarHBondContact O-N 3.44Å
82I98.4Very high96.5Very high0 Ų041.3 Ų41.30%021%0.214CC..EExtended strand (participates in β ladder)trans-121.6107.1-179.1-51.290.8000108.5L52 L53 C55 I80 V106 L108 A117L52-I82 HydrophobicContact CB-CD1 4.41Å; L52-I82 HydrophobicContact CD2-CD1 4.31Å; L53-I82 PolarHBondContact O-N 3.09Å; C55-I82 PolarHBondContact N-O 3.19Å; C55-I82 PolarHBondContact SG-O 3.49Å; I80-I82 HydrophobicContact CG2-CD1 4Å; I80-I82 HydrophobicContact CG2-CG1 4.28Å; I82-V106 WeakPolarHBondContact CA-O 3Å; I82-V106 HydrophobicContact CB-CB 4.43Å; I82-V106 HydrophobicContact CG1-CB 4.12Å; I82-V106 HydrophobicContact CG1-CG2 4.35Å; I82-V106 HydrophobicContact CG2-CB 4.2Å; I82-V106 HydrophobicContact CG2-CG1 4.28Å; I82-L108 HydrophobicContact CG2-CD1 3.84Å; I82-L108 HydrophobicContact CG2-CG 4.13Å; I82-A117 HydrophobicContact CB-CB 4.23Å; I82-A117 HydrophobicContact CG2-CB 3.74Å
83N98.3Very high96.5Very high3 Ų342.7 Ų42.72%0.01622%0.222CC..EExtended strand (participates in β ladder)trans-82.6117.3169.4177.444000109.2C55 G85 S86 F105 V106 D107 L108C55-N83 VanDerWaalsContact SG-CA 3.59Å; N83-G85 VanDerWaalsContact C-N 3.3Å; N83-G85 PolarHBondContact O-N 3.3Å; N83-S86 WeakPolarHBondContact OD1-CB 3.48Å; N83-S86 PolarHBondContact OD1-N 2.71Å; N83-S86 PolarHBondContact OD1-OG 3.36Å; N83-F105 HydrophobicContact CB-CE2 3.61Å; N83-F105 HydrophobicContact CB-CZ 3.85Å; N83-V106 PolarHBondContact N-O 2.92Å; N83-D107 PolarHBondContact ND2-OD1 3.24Å; N83-L108 WeakPolarHBondContact O-CA 3.25Å; N83-L108 WeakPolarHBondContact O-CB 3.31Å; N83-L108 WeakPolarHBondContact O-CG 3.32Å; N83-L108 PolarHBondContact O-N 2.97Å
84D97.2Very high96.8Very high3 Ų336.6 Ų36.62%0.01620%0.195CC..EExtended strand (participates in β ladder)trans-9257.2-179-168.747.9000111.2C55 Y56 N111 R112 G113 A117C55-D84 PolarHBondContact O-N 3.14Å; Y56-D84 WeakPolarHBondContact CD2-O 3.45Å; D84-N111 WeakPolarHBondContact O-CA 2.75Å; D84-N111 WeakPolarHBondContact O-CB 3.35Å; D84-N111 PolarHBondContact O-ND2 2.9Å; D84-N111 PolarHBondContact OD2-ND2 3.32Å; D84-R112 PolarHBondContact OD1-N 2.8Å; D84-R112 PolarHBondContact OD2-N 3.1Å; D84-R112 VanDerWaalsContact OD2-N 3.13Å; D84-G113 VanDerWaalsContact OD2-C 3.3Å; D84-G113 VanDerWaalsContact OD2-CA 3.25Å; D84-G113 WeakPolarHBondContact OD2-CA 3.2Å; D84-G113 PolarHBondContact OD2-N 3.22Å; D84-A117 HydrophobicContact CB-CB 4.05Å
85G96.3Very high97Very high16 Ų1642.1 Ų42.117%0.16522%0.217CC..  trans68.842175.300000114.9Y56 N83 L108Y56-G85 WeakPolarHBondContact CE2-O 3.38Å; N83-G85 VanDerWaalsContact C-N 3.3Å; N83-G85 PolarHBondContact O-N 3.3Å; G85-L108 WeakPolarHBondContact CA-O 3.29Å; G85-L108 PolarHBondContact N-O 3.25Å
86S96.8Very high97.2Very high22 Ų2242 Ų4215%0.15421%0.214CC..  trans-54.6141.9176.7-63.40000112.7Y56 N57 N83Y56-S86 WeakPolarHBondContact CA-OG 3.33Å; N57-S86 PolarHBondContact N-OG 2.91Å; N57-S86 WeakPolarHBondContact OD1-CA 3.02Å; N57-S86 WeakPolarHBondContact OD1-CB 3.47Å; N83-S86 WeakPolarHBondContact OD1-CB 3.48Å; N83-S86 PolarHBondContact OD1-N 2.71Å; N83-S86 PolarHBondContact OD1-OG 3.36Å
87S95.2Very high97.3Very high101 Ų10139.5 Ų39.571%0.70620%0.204SC*.SBendtrans-98.3-9.7176.157.10000113.7N57N57-S87 PolarHBondContact ND2-OG 2.64Å; N57-S87 VanDerWaalsContact ND2-OG 3.15Å; N57-S87 PolarHBondContact OD1-N 3.09Å; N57-S87 PolarHBondContact OD1-OG 3.33Å; N57-S87 VanDerWaalsContact OD1-OG 3.14Å
88D95.5Very high97.4Very high53 Ų5341 Ų4128%0.28321%0.21SC..SBendtrans-95.9-168.717372.2-4.3000111.3N57 S59 T90N57-D88 VanDerWaalsContact CA-OD2 3.31Å; N57-D88 WeakPolarHBondContact CA-OD2 3.34Å; N57-D88 PolarHBondContact OD1-N 3.22Å; S59-D88 VanDerWaalsContact CB-OD2 3.22Å; S59-D88 WeakPolarHBondContact CB-OD2 3.26Å; S59-D88 PolarHBondContact N-OD2 3.4Å; S59-D88 PolarHBondContact OG-OD2 2.93Å; D88-T90 VanDerWaalsContact CG-OG1 3.24Å; D88-T90 PolarHBondContact O-N 3.11Å; D88-T90 WeakPolarHBondContact OD1-CB 3.43Å; D88-T90 PolarHBondContact OD1-N 3.07Å; D88-T90 PolarHBondContact OD1-OG1 2.93Å; D88-T90 PolarHBondContact OD2-OG1 3.02Å
89N96.4Very high97.3Very high70 Ų7046.5 Ų46.537%0.37424%0.236SC..THydrogen-bonded Turntrans-81.217.5179.769-35.8000114.3S59 A91 E92 L93S59-N89 WeakPolarHBondContact CB-OD1 3.28Å; N89-A91 VanDerWaalsContact C-N 3.32Å; N89-A91 PolarHBondContact O-N 3.49Å; N89-E92 HydrophobicContact CB-CB 4.44Å; N89-E92 PolarHBondContact O-N 3.21Å; N89-L93 WeakPolarHBondContact O-CG 3.3Å; N89-L93 PolarHBondContact O-N 3.47Å
90T97.4Very high97.2Very high0 Ų052.6 Ų52.60%027%0.269CS..Hα-helixtrans-54.3-46.9178.4-62.90000111.8C55 E58 S59 I62 D88 E92 L93 I94C55-T90 HydrophobicContact CB-CG2 4.33Å; E58-T90 PolarHBondContact N-OG1 2.88Å; S59-T90 PolarHBondContact N-OG1 3.38Å; I62-T90 HydrophobicContact CG2-CG2 4.44Å; D88-T90 VanDerWaalsContact CG-OG1 3.24Å; D88-T90 PolarHBondContact O-N 3.11Å; D88-T90 WeakPolarHBondContact OD1-CB 3.43Å; D88-T90 PolarHBondContact OD1-N 3.07Å; D88-T90 PolarHBondContact OD1-OG1 2.93Å; D88-T90 PolarHBondContact OD2-OG1 3.02Å; T90-E92 PolarHBondContact O-N 2.9Å; T90-L93 PolarHBondContact O-N 3.48Å; T90-I94 HydrophobicContact CG2-CD1 3.82Å; T90-I94 VanDerWaalsContact O-CG1 3.32Å; T90-I94 WeakPolarHBondContact O-CG1 3.32Å; T90-I94 PolarHBondContact O-N 3.44Å; T90-I94 VanDerWaalsContact O-N 3.08Å
91A97.4Very high97.1Very high17 Ų1755.7 Ų55.714%0.1429%0.285CS..Hα-helixtrans-63.1-43.5-17900000111.8N89 L93 I94 Y95 F105N89-A91 VanDerWaalsContact C-N 3.32Å; N89-A91 PolarHBondContact O-N 3.49Å; A91-L93 PolarHBondContact O-N 3.11Å; A91-I94 PolarHBondContact O-N 2.94Å; A91-Y95 HydrophobicContact CB-CE2 4.4Å; A91-Y95 WeakPolarHBondContact O-CD2 3.4Å; A91-Y95 PolarHBondContact O-N 3.31Å; A91-F105 HydrophobicContact CB-CZ 4.33Å
92E97.7Very high96.9Very high138 Ų13862.9 Ų62.965%0.64532%0.324SS*.Hα-helixtrans-60.8-43.1178.2-61.2178.9172.600111.8N89 T90 Y95 K96N89-E92 HydrophobicContact CB-CB 4.44Å; N89-E92 PolarHBondContact O-N 3.21Å; T90-E92 PolarHBondContact O-N 2.9Å; E92-Y95 PolarHBondContact O-N 2.9Å; E92-K96 WeakPolarHBondContact O-CB 3.42Å; E92-K96 PolarHBondContact O-N 3.48Å
93L97.6Very high96.8Very high37 Ų3763.2 Ų63.219%0.19433%0.325CS..Hα-helixtrans-61.7-43.4175.7-68.9171.2000111.5S59 I62 N89 T90 A91 K96 I97S59-L93 WeakPolarHBondContact O-CD1 3.47Å; I62-L93 HydrophobicContact CG2-CB 4.44Å; I62-L93 HydrophobicContact CG2-CD1 4.34Å; N89-L93 WeakPolarHBondContact O-CG 3.3Å; N89-L93 PolarHBondContact O-N 3.47Å; T90-L93 PolarHBondContact O-N 3.48Å; A91-L93 PolarHBondContact O-N 3.11Å; L93-K96 PolarHBondContact O-N 2.83Å; L93-I97 WeakPolarHBondContact O-CG1 3.27Å; L93-I97 PolarHBondContact O-N 3.48Å
94I97.9Very high96.8Very high0 Ų065.8 Ų65.80%034%0.339CS..Hα-helixtrans-65-44.1177.9-64.2162.6000111I62 I81 T90 A91 K96 I97 K98 F103 F105I62-I94 HydrophobicContact CG1-CD1 4.08Å; I62-I94 HydrophobicContact CG1-CG1 3.85Å; I81-I94 HydrophobicContact CD1-CG2 4.11Å; I81-I94 HydrophobicContact CG2-CD1 3.85Å; I81-I94 HydrophobicContact CG2-CG1 4.49Å; I81-I94 HydrophobicContact CG2-CG2 4.5Å; T90-I94 HydrophobicContact CG2-CD1 3.82Å; T90-I94 VanDerWaalsContact O-CG1 3.32Å; T90-I94 WeakPolarHBondContact O-CG1 3.32Å; T90-I94 PolarHBondContact O-N 3.44Å; T90-I94 VanDerWaalsContact O-N 3.08Å; A91-I94 PolarHBondContact O-N 2.94Å; I94-K96 VanDerWaalsContact C-N 3.3Å; I94-K96 PolarHBondContact O-N 3.47Å; I94-I97 PolarHBondContact O-N 3.27Å; I94-K98 WeakPolarHBondContact O-CB 3.35Å; I94-K98 PolarHBondContact O-N 2.8Å; I94-F103 HydrophobicContact CG2-CE2 3.71Å; I94-F103 HydrophobicContact CG2-CZ 3.98Å; I94-F105 HydrophobicContact CB-CE1 4.24Å; I94-F105 HydrophobicContact CB-CE2 4.18Å; I94-F105 HydrophobicContact CB-CZ 4.03Å; I94-F105 HydrophobicContact CD1-CE2 3.73Å; I94-F105 HydrophobicContact CD1-CZ 4.03Å; I94-F105 HydrophobicContact CG2-CB 4.41Å; I94-F105 HydrophobicContact CG2-CD1 3.87Å; I94-F105 HydrophobicContact CG2-CD2 3.57Å; I94-F105 HydrophobicContact CG2-CE1 3.96Å; I94-F105 HydrophobicContact CG2-CE2 3.7Å; I94-F105 HydrophobicContact CG2-CG 3.69Å; I94-F105 HydrophobicContact CG2-CZ 3.9Å
95Y97.8Very high96.9Very high116 Ų11667 Ų6746%0.45534%0.344SS..Hα-helixtrans-57.3-44.7175.3-79.5-61.8000111.4A91 E92 I97 K98 E99 F105 D107A91-Y95 HydrophobicContact CB-CE2 4.4Å; A91-Y95 WeakPolarHBondContact O-CD2 3.4Å; A91-Y95 PolarHBondContact O-N 3.31Å; E92-Y95 PolarHBondContact O-N 2.9Å; Y95-I97 PolarHBondContact O-N 3.4Å; Y95-K98 WeakPolarHBondContact O-CB 3.25Å; Y95-K98 PolarHBondContact O-N 3.45Å; Y95-E99 PolarHBondContact O-N 3.35Å; Y95-F105 AromaticContact CD1-CD1 3.95Å; Y95-F105 HydrophobicContact CD1-CD1 3.95Å; Y95-F105 HydrophobicContact CD1-CE1 4.06Å; Y95-F105 AromaticContact CD2-CE1 3.93Å; Y95-F105 HydrophobicContact CD2-CE1 3.93Å; Y95-F105 AromaticContact CE1-CD1 3.63Å; Y95-F105 HydrophobicContact CE1-CD1 3.63Å; Y95-F105 AromaticContact CE1-CE1 3.73Å; Y95-F105 HydrophobicContact CE1-CE1 3.73Å; Y95-F105 HydrophobicContact CE2-CD1 4.35Å; Y95-F105 AromaticContact CE2-CE1 3.59Å; Y95-F105 HydrophobicContact CE2-CE1 3.59Å; Y95-F105 HydrophobicContact CG-CD1 4.43Å; Y95-F105 HydrophobicContact CG-CE1 4.13Å; Y95-F105 AromaticContact CZ-CD1 3.83Å; Y95-F105 AromaticContact CZ-CE1 3.46Å; Y95-F105 VanDerWaalsContact CZ-CE1 3.46Å; Y95-D107 PolarHBondContact OH-OD2 2.94Å
96K97.3Very high96.9Very high140 Ų14067 Ų6761%0.60934%0.341SS*.Hα-helixtrans-61.7-43.1177.5-174.4-177.4178-172.40112.6E92 L93 I94 K98 E99E92-K96 WeakPolarHBondContact O-CB 3.42Å; E92-K96 PolarHBondContact O-N 3.48Å; L93-K96 PolarHBondContact O-N 2.83Å; I94-K96 VanDerWaalsContact C-N 3.3Å; I94-K96 PolarHBondContact O-N 3.47Å; K96-K98 VanDerWaalsContact C-N 3.28Å; K96-K98 PolarHBondContact O-N 2.84Å; K96-E99 WeakPolarHBondContact O-CB 3.38Å; K96-E99 PolarHBondContact O-N 3.42Å
97I97.2Very high97Very high21 Ų2168 Ų6811%0.10834%0.344CS..Hα-helixtrans-66.7-35.4177.7-62.2164.5000110.4E63 L66 L70 L93 I94 Y95 E99 N100 N101 F103E63-I97 HydrophobicContact CB-CD1 4.22Å; E63-I97 HydrophobicContact CG-CD1 4.1Å; L66-I97 HydrophobicContact CD2-CB 3.98Å; L66-I97 HydrophobicContact CD2-CD1 3.88Å; L66-I97 HydrophobicContact CD2-CG2 3.55Å; L66-I97 HydrophobicContact CG-CG2 4.17Å; L70-I97 HydrophobicContact CD1-CG2 4.21Å; L93-I97 WeakPolarHBondContact O-CG1 3.27Å; L93-I97 PolarHBondContact O-N 3.48Å; I94-I97 PolarHBondContact O-N 3.27Å; Y95-I97 PolarHBondContact O-N 3.4Å; I97-E99 VanDerWaalsContact C-N 3.27Å; I97-E99 PolarHBondContact O-N 3.5Å; I97-N100 PolarHBondContact O-N 3.31Å; I97-N101 WeakPolarHBondContact O-CB 3.5Å; I97-N101 PolarHBondContact O-N 2.93Å; I97-N101 PolarHBondContact O-ND2 2.83Å; I97-F103 HydrophobicContact CG2-CE1 4.14Å
98K96.8Very high97.1Very high79 Ų7964.9 Ų64.934%0.34332%0.32SS..Hα-helixtrans-63.8-26177.6-170.6168.9169.9520113.8I94 Y95 K96 N100 N101 F103 F105I94-K98 WeakPolarHBondContact O-CB 3.35Å; I94-K98 PolarHBondContact O-N 2.8Å; Y95-K98 WeakPolarHBondContact O-CB 3.25Å; Y95-K98 PolarHBondContact O-N 3.45Å; K96-K98 VanDerWaalsContact C-N 3.28Å; K96-K98 PolarHBondContact O-N 2.84Å; K98-N100 PolarHBondContact O-N 3.46Å; K98-N101 PolarHBondContact O-N 2.97Å; K98-F103 HydrophobicContact CB-CE1 3.93Å; K98-F103 HydrophobicContact CB-CE2 4.04Å; K98-F103 HydrophobicContact CB-CZ 3.47Å; K98-F103 VanDerWaalsContact CB-CZ 3.47Å; K98-F103 HydrophobicContact CD-CE2 4.22Å; K98-F103 HydrophobicContact CD-CZ 4.48Å; K98-F103 HydrophobicContact CG-CE1 4.34Å; K98-F103 HydrophobicContact CG-CE2 4.25Å; K98-F103 HydrophobicContact CG-CZ 4.04Å; K98-F103 PolarHBondContact NZ-O 3.15Å; K98-F105 HydrophobicContact CD-CB 3.98Å
99E96.7Very high97Very high151 Ų15170.4 Ų70.471%0.70634%0.343SS*.THydrogen-bonded Turntrans-57.7-30.6177.3-67.5178.7174.700112.8Y95 K96 I97Y95-E99 PolarHBondContact O-N 3.35Å; K96-E99 WeakPolarHBondContact O-CB 3.38Å; K96-E99 PolarHBondContact O-N 3.42Å; I97-E99 VanDerWaalsContact C-N 3.27Å; I97-E99 PolarHBondContact O-N 3.5Å
100N95.8Very high96.9Very high138 Ų13872.4 Ų72.474%0.73835%0.351SS*.THydrogen-bonded Turntrans-117.93.1-175.2-60.7-69.4000113.6I97 K98I97-N100 PolarHBondContact O-N 3.31Å; K98-N100 PolarHBondContact O-N 3.46Å
101N96.6Very high96.9Very high64 Ų6474.1 Ų74.134%0.34236%0.36SS..SBendtrans-140.4142.6-174.1-63.2-85.2000111.2L70 I97 K98 F103L70-N101 HydrophobicContact CD1-CB 3.98Å; L70-N101 HydrophobicContact CD2-CB 4.1Å; I97-N101 WeakPolarHBondContact O-CB 3.5Å; I97-N101 PolarHBondContact O-N 2.93Å; I97-N101 PolarHBondContact O-ND2 2.83Å; K98-N101 PolarHBondContact O-N 2.97Å; N101-F103 HydrophobicContact CB-CD1 4.03Å; N101-F103 HydrophobicContact CB-CE1 3.98Å
102D94.4Very high96.7Very high152 Ų15277.6 Ų77.681%0.81337%0.369SS*.  trans-92116.4178.6-170.531.1000111.5
103F97.4Very high96.6Very high6 Ų671.2 Ų71.23%0.02634%0.34CS..  trans-165158.4172.759.2-93.9000109.7L66 I79 I81 I94 I97 K98 N101 F105L66-F103 HydrophobicContact CD2-CE1 4.01Å; L66-F103 HydrophobicContact CD2-CZ 3.86Å; I79-F103 HydrophobicContact CB-CB 3.76Å; I79-F103 HydrophobicContact CG2-CB 3.86Å; I79-F103 WeakPolarHBondContact O-CB 3.47Å; I81-F103 HydrophobicContact CD1-CD2 3.57Å; I81-F103 HydrophobicContact CD1-CE2 3.38Å; I81-F103 HydrophobicContact CD1-CG 4.28Å; I81-F103 HydrophobicContact CD1-CZ 3.93Å; I81-F103 HydrophobicContact CG1-CD2 3.87Å; I81-F103 HydrophobicContact CG1-CE2 4.09Å; I94-F103 HydrophobicContact CG2-CE2 3.71Å; I94-F103 HydrophobicContact CG2-CZ 3.98Å; I97-F103 HydrophobicContact CG2-CE1 4.14Å; K98-F103 HydrophobicContact CB-CE1 3.93Å; K98-F103 HydrophobicContact CB-CE2 4.04Å; K98-F103 HydrophobicContact CB-CZ 3.47Å; K98-F103 VanDerWaalsContact CB-CZ 3.47Å; K98-F103 HydrophobicContact CD-CE2 4.22Å; K98-F103 HydrophobicContact CD-CZ 4.48Å; K98-F103 HydrophobicContact CG-CE1 4.34Å; K98-F103 HydrophobicContact CG-CE2 4.25Å; K98-F103 HydrophobicContact CG-CZ 4.04Å; K98-F103 PolarHBondContact NZ-O 3.15Å; N101-F103 HydrophobicContact CB-CD1 4.03Å; N101-F103 HydrophobicContact CB-CE1 3.98Å; F103-F105 HydrophobicContact CD2-CB 4.46Å; F103-F105 HydrophobicContact CE2-CB 4.14Å
104I98Very high96.5Very high58 Ų5870.7 Ų70.730%0.29734%0.336SS..EExtended strand (participates in β ladder)trans-84.2131.5176.4-58.4175000109.1I79 I80 I81 V106I79-I104 PolarHBondContact O-N 3.45Å; I80-I104 CarbonylContact C-O 3.51Å; I80-I104 WeakPolarHBondContact CA-O 3.44Å; I80-I104 HydrophobicContact CB-CB 4.38Å; I80-I104 HydrophobicContact CD1-CD1 4.13Å; I80-I104 HydrophobicContact CG1-CB 4.09Å; I80-I104 HydrophobicContact CG1-CD1 4.18Å; I80-I104 HydrophobicContact CG2-CB 4.14Å; I80-I104 HydrophobicContact CG2-CG2 4.12Å; I81-I104 PolarHBondContact N-O 3Å; I104-V106 HydrophobicContact CG2-CG2 4.23Å
105F98.2Very high96.4Very high29 Ų2971 Ų7113%0.12734%0.339CS..EExtended strand (participates in β ladder)trans-116.3121.7175.1-178-144.2000110.6I81 N83 A91 I94 Y95 K98 F103 D107I81-F105 HydrophobicContact CB-CD2 4.19Å; I81-F105 HydrophobicContact CG2-CD2 4.41Å; N83-F105 HydrophobicContact CB-CE2 3.61Å; N83-F105 HydrophobicContact CB-CZ 3.85Å; A91-F105 HydrophobicContact CB-CZ 4.33Å; I94-F105 HydrophobicContact CB-CE1 4.24Å; I94-F105 HydrophobicContact CB-CE2 4.18Å; I94-F105 HydrophobicContact CB-CZ 4.03Å; I94-F105 HydrophobicContact CD1-CE2 3.73Å; I94-F105 HydrophobicContact CD1-CZ 4.03Å; I94-F105 HydrophobicContact CG2-CB 4.41Å; I94-F105 HydrophobicContact CG2-CD1 3.87Å; I94-F105 HydrophobicContact CG2-CD2 3.57Å; I94-F105 HydrophobicContact CG2-CE1 3.96Å; I94-F105 HydrophobicContact CG2-CE2 3.7Å; I94-F105 HydrophobicContact CG2-CG 3.69Å; I94-F105 HydrophobicContact CG2-CZ 3.9Å; Y95-F105 AromaticContact CD1-CD1 3.95Å; Y95-F105 HydrophobicContact CD1-CD1 3.95Å; Y95-F105 HydrophobicContact CD1-CE1 4.06Å; Y95-F105 AromaticContact CD2-CE1 3.93Å; Y95-F105 HydrophobicContact CD2-CE1 3.93Å; Y95-F105 AromaticContact CE1-CD1 3.63Å; Y95-F105 HydrophobicContact CE1-CD1 3.63Å; Y95-F105 AromaticContact CE1-CE1 3.73Å; Y95-F105 HydrophobicContact CE1-CE1 3.73Å; Y95-F105 HydrophobicContact CE2-CD1 4.35Å; Y95-F105 AromaticContact CE2-CE1 3.59Å; Y95-F105 HydrophobicContact CE2-CE1 3.59Å; Y95-F105 HydrophobicContact CG-CD1 4.43Å; Y95-F105 HydrophobicContact CG-CE1 4.13Å; Y95-F105 AromaticContact CZ-CD1 3.83Å; Y95-F105 AromaticContact CZ-CE1 3.46Å; Y95-F105 VanDerWaalsContact CZ-CE1 3.46Å; K98-F105 HydrophobicContact CD-CB 3.98Å; F103-F105 HydrophobicContact CD2-CB 4.46Å; F103-F105 HydrophobicContact CE2-CB 4.14Å; F105-D107 HydrophobicContact CD1-CB 4.46Å; F105-D107 HydrophobicContact CE1-CB 3.89Å; F105-D107 HydrophobicContact CE2-CB 4.33Å; F105-D107 HydrophobicContact CZ-CB 3.8Å
106V97.8Very high96.4Very high16 Ų1666 Ų6610%0.09732%0.32CS..EExtended strand (participates in β ladder)trans-110.4103.1178.3-173.20000108.4I80 I81 I82 N83 I104 L108 Q124I80-V106 HydrophobicContact CG2-CG2 4Å; I81-V106 PolarHBondContact O-N 3.44Å; I82-V106 WeakPolarHBondContact CA-O 3Å; I82-V106 HydrophobicContact CB-CB 4.43Å; I82-V106 HydrophobicContact CG1-CB 4.12Å; I82-V106 HydrophobicContact CG1-CG2 4.35Å; I82-V106 HydrophobicContact CG2-CB 4.2Å; I82-V106 HydrophobicContact CG2-CG1 4.28Å; N83-V106 PolarHBondContact N-O 2.92Å; I104-V106 HydrophobicContact CG2-CG2 4.23Å; V106-L108 HydrophobicContact CG1-CD2 3.93Å; V106-L108 HydrophobicContact CG1-CG 4.41Å; V106-Q124 VanDerWaalsContact CG2-CD 3.48Å; V106-Q124 VanDerWaalsContact CG2-OE1 3.24Å
107D97.6Very high96.4Very high43 Ų4359.3 Ų59.323%0.2329%0.291CS..EExtended strand (participates in β ladder)trans-99.292.3-176.2-166.514.8000111.1N83 Y95 F105 Q109N83-D107 PolarHBondContact ND2-OD1 3.24Å; Y95-D107 PolarHBondContact OH-OD2 2.94Å; F105-D107 HydrophobicContact CD1-CB 4.46Å; F105-D107 HydrophobicContact CE1-CB 3.89Å; F105-D107 HydrophobicContact CE2-CB 4.33Å; F105-D107 HydrophobicContact CZ-CB 3.8Å; D107-Q109 PolarHBondContact O-NE2 2.73Å
108L97.2Very high96.5Very high35 Ų3558.5 Ų58.518%0.18329%0.287CS..EExtended strand (participates in β ladder)trans-76.4140.8178-52.1177.2000109.7I82 N83 G85 V106 Q120I82-L108 HydrophobicContact CG2-CD1 3.84Å; I82-L108 HydrophobicContact CG2-CG 4.13Å; N83-L108 WeakPolarHBondContact O-CA 3.25Å; N83-L108 WeakPolarHBondContact O-CB 3.31Å; N83-L108 WeakPolarHBondContact O-CG 3.32Å; N83-L108 PolarHBondContact O-N 2.97Å; G85-L108 WeakPolarHBondContact CA-O 3.29Å; G85-L108 PolarHBondContact N-O 3.25Å; V106-L108 HydrophobicContact CG1-CD2 3.93Å; V106-L108 HydrophobicContact CG1-CG 4.41Å; L108-Q120 HydrophobicContact CD1-CG 4.12Å; L108-Q120 HydrophobicContact CD2-CG 4.11Å
109Q94.1Very high96.5Very high168 Ų16855.6 Ų55.679%0.78528%0.275SS*.SBendtrans-86.9-14.9-173.8-57.9-59.1-60.600113.9D107D107-Q109 PolarHBondContact O-NE2 2.73Å
110E94.6Very high96.6Very high113 Ų11351 Ų5153%0.52825%0.254SS..SBendtrans-137.3132.8-175-174.8-173.2-163.600109.7R112E110-R112 HydrophobicContact CG-CG 4.5Å; E110-R112 PolarHBondContact O-N 3.29Å; E110-R112 IonicContact OE2-CZ 3.61Å; E110-R112 VanDerWaalsContact OE2-CZ 3.3Å; E110-R112 IonicContact OE2-NE 2.83Å; E110-R112 PolarHBondContact OE2-NE 3.43Å; E110-R112 IonicContact OE2-NH2 2.67Å; E110-R112 PolarHBondContact OE2-NH2 3.47Å
111N95.7Very high96.7Very high35 Ų3544.5 Ų44.519%0.18722%0.219CC..  trans-67.3115.3175.7-174.8-95.3000111.6Y56 D84 T401Y56-N111 WeakPolarHBondContact CD1-ND2 3.04Å; Y56-N111 HydrophobicContact CD2-CB 4.23Å; Y56-N111 WeakPolarHBondContact CD2-ND2 3.48Å; Y56-N111 HydrophobicContact CE2-CB 3.7Å; Y56-N111 WeakPolarHBondContact CE2-ND2 3.4Å; D84-N111 WeakPolarHBondContact O-CA 2.75Å; D84-N111 WeakPolarHBondContact O-CB 3.35Å; D84-N111 PolarHBondContact O-ND2 2.9Å; D84-N111 PolarHBondContact OD2-ND2 3.32Å; N111-T401 VanDerWaalsContact OD1-CB 3.26Å; N111-T401 WeakPolarHBondContact OD1-CB 3.47Å; N111-T401 WeakPolarHBondContact OD1-CG2 3.41Å
112R95.1Very high96.8Very high91 Ų9141.5 Ų41.534%0.34320%0.203SC..  trans-124.59.9-179.7-72.5-179.9-179.2-176.35.6113.1D84 E110 N116 Y399D84-R112 PolarHBondContact OD1-N 2.8Å; D84-R112 PolarHBondContact OD2-N 3.1Å; D84-R112 VanDerWaalsContact OD2-N 3.13Å; E110-R112 HydrophobicContact CG-CG 4.5Å; E110-R112 PolarHBondContact O-N 3.29Å; E110-R112 IonicContact OE2-CZ 3.61Å; E110-R112 VanDerWaalsContact OE2-CZ 3.3Å; E110-R112 IonicContact OE2-NE 2.83Å; E110-R112 PolarHBondContact OE2-NE 3.43Å; E110-R112 IonicContact OE2-NH2 2.67Å; E110-R112 PolarHBondContact OE2-NH2 3.47Å; R112-N116 HydrophobicContact CB-CB 3.78Å; R112-N116 WeakPolarHBondContact CB-ND2 3.39Å; R112-Y399 HydrophobicContact CB-CD1 3.72Å; R112-Y399 HydrophobicContact CB-CD2 4.44Å; R112-Y399 HydrophobicContact CB-CE1 3.95Å; R112-Y399 HydrophobicContact CB-CG 3.99Å; R112-Y399 HydrophobicContact CG-CD1 4.21Å; R112-Y399 HydrophobicContact CG-CD2 4.1Å; R112-Y399 HydrophobicContact CG-CE1 4.22Å; R112-Y399 HydrophobicContact CG-CE2 4.11Å; R112-Y399 HydrophobicContact CG-CG 4.16Å; R112-Y399 VanDerWaalsContact O-CD1 3.26Å; R112-Y399 WeakPolarHBondContact O-CD1 3.22Å
113G94.4Very high96.9Very high3 Ų339.8 Ų39.83%0.03119%0.188CC..  trans90.5156.7175.800000112.5D84 A115 N116 A117 A400D84-G113 VanDerWaalsContact OD2-C 3.3Å; D84-G113 VanDerWaalsContact OD2-CA 3.25Å; D84-G113 WeakPolarHBondContact OD2-CA 3.2Å; D84-G113 PolarHBondContact OD2-N 3.22Å; G113-A115 VanDerWaalsContact C-N 3.26Å; G113-A115 PolarHBondContact O-N 3.42Å; G113-N116 WeakPolarHBondContact O-CB 3.24Å; G113-N116 PolarHBondContact O-N 2.92Å; G113-A117 PolarHBondContact O-N 2.98Å; G113-A117 VanDerWaalsContact O-N 3.13Å; G113-A400 WeakPolarHBondContact CA-O 3.34Å
114K95.5Very high96.9Very high26 Ų2643.6 Ų43.611%0.11321%0.206CC..Hα-helixtrans-52.9-40.2-178.8-177.3175.2169.9-161.50113.3A54 N116 A117 L118 D134 G203 E226A54-K114 HydrophobicContact CB-CG 4.14Å; K114-N116 VanDerWaalsContact C-N 3.3Å; K114-N116 PolarHBondContact O-N 3.48Å; K114-A117 WeakPolarHBondContact O-CB 3.46Å; K114-A117 PolarHBondContact O-N 3.41Å; K114-A117 VanDerWaalsContact O-N 3.14Å; K114-L118 HydrophobicContact CG-CD1 4.16Å; K114-L118 HydrophobicContact CG-CG 4.23Å; K114-L118 WeakPolarHBondContact O-CG 3.4Å; K114-L118 PolarHBondContact O-N 2.86Å; K114-D134 WeakPolarHBondContact CE-OD1 3.38Å; K114-D134 IonicContact NZ-OD1 3.57Å; K114-D134 PolarHBondContact NZ-OD1 3.48Å; K114-D134 IonicContact NZ-OD2 3.78Å; K114-G203 PolarHBondContact NZ-O 3.47Å; K114-E226 VanDerWaalsContact CD-OE1 3.27Å; K114-E226 WeakPolarHBondContact CD-OE1 3.22Å; K114-E226 WeakPolarHBondContact CE-OE1 3.09Å; K114-E226 IonicContact NZ-OE1 3.11Å; K114-E226 PolarHBondContact NZ-OE1 2.83Å
115A96.7Very high96.9Very high6 Ų641 Ų415%0.0519%0.193CC..Hα-helixtrans-56.4-43.2175.900000112.4G113 N119 W219 D220 T221 E226G113-A115 VanDerWaalsContact C-N 3.26Å; G113-A115 PolarHBondContact O-N 3.42Å; A115-N119 WeakPolarHBondContact O-CB 3.46Å; A115-N119 PolarHBondContact O-N 2.64Å; A115-N119 PolarHBondContact O-ND2 3.11Å; A115-N119 PolarHBondContact O-OD1 2.84Å; A115-W219 HydrophobicContact CB-CB 4.04Å; A115-D220 WeakPolarHBondContact CB-O 3.37Å; A115-T221 HydrophobicContact CB-CG2 4.36Å; A115-E226 HydrophobicContact CB-CB 3.88Å
116N96.9Very high96.9Very high12 Ų1243.2 Ų43.26%0.06421%0.212CC..Hα-helixtrans-65.9-45.1175.4173.770.4000111R112 G113 K114 L118 N119 Q120 T221 Y399R112-N116 HydrophobicContact CB-CB 3.78Å; R112-N116 WeakPolarHBondContact CB-ND2 3.39Å; G113-N116 WeakPolarHBondContact O-CB 3.24Å; G113-N116 PolarHBondContact O-N 2.92Å; K114-N116 VanDerWaalsContact C-N 3.3Å; K114-N116 PolarHBondContact O-N 3.48Å; N116-L118 VanDerWaalsContact C-N 3.34Å; N116-L118 PolarHBondContact O-N 2.87Å; N116-N119 WeakPolarHBondContact O-CB 3.38Å; N116-N119 PolarHBondContact O-N 2.96Å; N116-N119 VanDerWaalsContact O-N 3.13Å; N116-Q120 WeakPolarHBondContact O-CG 3.14Å; N116-Q120 PolarHBondContact O-N 3.36Å; N116-Q120 PolarHBondContact OD1-NE2 2.76Å; N116-T221 HydrophobicContact CB-CG2 4.24Å; N116-Y399 HydrophobicContact CB-CE1 4.4Å
117A97.6Very high96.9Very high0 Ų046.3 Ų46.30%022%0.222CC..Hα-helixtrans-56-48177.500000111.9A54 I82 D84 G113 K114 N119 Q120 G121A54-A117 HydrophobicContact CB-CB 3.9Å; I82-A117 HydrophobicContact CB-CB 4.23Å; I82-A117 HydrophobicContact CG2-CB 3.74Å; D84-A117 HydrophobicContact CB-CB 4.05Å; G113-A117 PolarHBondContact O-N 2.98Å; G113-A117 VanDerWaalsContact O-N 3.13Å; K114-A117 WeakPolarHBondContact O-CB 3.46Å; K114-A117 PolarHBondContact O-N 3.41Å; K114-A117 VanDerWaalsContact O-N 3.14Å; A117-N119 PolarHBondContact O-N 3.25Å; A117-Q120 PolarHBondContact O-N 2.77Å; A117-G121 PolarHBondContact O-N 2.84Å
118L98.2Very high96.9Very high3 Ų349 Ų492%0.01624%0.237CC..Hα-helixtrans-61.7-41.2175.5-65.6177.5000112.2L52 A54 K114 N116 Q120 G121 I122 C132 W219 E226L52-L118 HydrophobicContact CB-CD2 4.49Å; A54-L118 HydrophobicContact CB-CD2 4.18Å; K114-L118 HydrophobicContact CG-CD1 4.16Å; K114-L118 HydrophobicContact CG-CG 4.23Å; K114-L118 WeakPolarHBondContact O-CG 3.4Å; K114-L118 PolarHBondContact O-N 2.86Å; N116-L118 VanDerWaalsContact C-N 3.34Å; N116-L118 PolarHBondContact O-N 2.87Å; L118-Q120 VanDerWaalsContact C-N 3.3Å; L118-Q120 PolarHBondContact O-N 3.47Å; L118-G121 PolarHBondContact O-N 3.41Å; L118-I122 WeakPolarHBondContact O-CG2 3.46Å; L118-I122 PolarHBondContact O-N 2.82Å; L118-C132 HydrophobicContact CD2-CB 4.22Å; L118-W219 HydrophobicContact CB-CD2 3.87Å; L118-W219 HydrophobicContact CB-CE3 3.56Å; L118-W219 HydrophobicContact CB-CH2 4.22Å; L118-W219 HydrophobicContact CB-CZ2 4.5Å; L118-W219 HydrophobicContact CB-CZ3 3.74Å; L118-W219 HydrophobicContact CD1-CD2 4.04Å; L118-W219 HydrophobicContact CD1-CG 4.28Å; L118-W219 HydrophobicContact CD1-CZ2 4.28Å; L118-E226 HydrophobicContact CD1-CG 4.12Å
119N98.3Very high97Very high18 Ų1848.6 Ų48.610%0.09623%0.233CC..Hα-helixtrans-62.4-34.2175.4-71.3-15.7000112.7A115 N116 A117 K123 Y218 W219A115-N119 WeakPolarHBondContact O-CB 3.46Å; A115-N119 PolarHBondContact O-N 2.64Å; A115-N119 PolarHBondContact O-ND2 3.11Å; A115-N119 PolarHBondContact O-OD1 2.84Å; N116-N119 WeakPolarHBondContact O-CB 3.38Å; N116-N119 PolarHBondContact O-N 2.96Å; N116-N119 VanDerWaalsContact O-N 3.13Å; A117-N119 PolarHBondContact O-N 3.25Å; N119-K123 VanDerWaalsContact O-CD 3.31Å; N119-K123 WeakPolarHBondContact O-CD 3.3Å; N119-K123 VanDerWaalsContact O-CE 3.25Å; N119-K123 WeakPolarHBondContact O-CE 3.21Å; N119-K123 VanDerWaalsContact O-CG 3.29Å; N119-K123 WeakPolarHBondContact O-CG 3.39Å; N119-Y218 WeakPolarHBondContact OD1-CB 3.48Å; N119-W219 PolarHBondContact ND2-O 2.94Å; N119-W219 VanDerWaalsContact OD1-CE3 3.3Å; N119-W219 PolarHBondContact OD1-N 2.91Å
120Q98.1Very high97.2Very high56 Ų5640.6 Ų40.626%0.26220%0.196SC..Hα-helixtrans-75.2-42.1174.4-58.8-49.2-32.200111.4L108 N116 A117 L118 K123L108-Q120 HydrophobicContact CD1-CG 4.12Å; L108-Q120 HydrophobicContact CD2-CG 4.11Å; N116-Q120 WeakPolarHBondContact O-CG 3.14Å; N116-Q120 PolarHBondContact O-N 3.36Å; N116-Q120 PolarHBondContact OD1-NE2 2.76Å; A117-Q120 PolarHBondContact O-N 2.77Å; L118-Q120 VanDerWaalsContact C-N 3.3Å; L118-Q120 PolarHBondContact O-N 3.47Å; Q120-K123 PolarHBondContact O-N 3.36Å
121G97.9Very high97.4Very high0 Ų035.2 Ų35.20%017%0.171CC..Hα-helixtrans-61.8-48.3179.100000113.3A117 L118 K123 Q124 A125A117-G121 PolarHBondContact O-N 2.84Å; L118-G121 PolarHBondContact O-N 3.41Å; G121-K123 PolarHBondContact O-N 2.68Å; G121-K123 VanDerWaalsContact O-N 3.15Å; G121-Q124 PolarHBondContact O-N 2.83Å; G121-A125 PolarHBondContact O-N 2.74Å
122I98.2Very high97.5Very high1 Ų133.7 Ų33.71%0.00516%0.163CC..Hα-helixtrans-64.1-24.4-176.5-163.9171000113.6L52 L118 Q124 A125 V130 K210 V213 Y218 W219L52-I122 HydrophobicContact CD1-CB 3.99Å; L118-I122 WeakPolarHBondContact O-CG2 3.46Å; L118-I122 PolarHBondContact O-N 2.82Å; I122-Q124 PolarHBondContact O-N 3.32Å; I122-A125 WeakPolarHBondContact O-CB 3.38Å; I122-A125 PolarHBondContact O-N 3.31Å; I122-V130 HydrophobicContact CD1-CG2 4.43Å; I122-V130 HydrophobicContact CG1-CG1 4.37Å; I122-V130 HydrophobicContact CG1-CG2 4.14Å; I122-K210 HydrophobicContact CD1-CG 4.22Å; I122-K210 HydrophobicContact CG1-CG 4.14Å; I122-V213 HydrophobicContact CD1-CB 3.7Å; I122-V213 HydrophobicContact CD1-CG1 3.55Å; I122-V213 HydrophobicContact CD1-CG2 4.22Å; I122-Y218 HydrophobicContact CG2-CD1 3.73Å; I122-Y218 HydrophobicContact CG2-CE1 3.85Å; I122-W219 HydrophobicContact CB-CH2 4.44Å; I122-W219 HydrophobicContact CB-CZ3 3.94Å; I122-W219 HydrophobicContact CD1-CH2 3.83Å; I122-W219 HydrophobicContact CD1-CZ3 3.8Å; I122-W219 HydrophobicContact CG1-CZ3 4.45Å; I122-W219 HydrophobicContact CG2-CZ3 3.9Å
123K97.8Very high97.6Very high117 Ų11729.4 Ų29.451%0.50915%0.147SC..Hα-helixtrans-69.9-25.5175.7-69.1168.8-171.1170.70112.2N119 Q120 G121N119-K123 VanDerWaalsContact O-CD 3.31Å; N119-K123 WeakPolarHBondContact O-CD 3.3Å; N119-K123 VanDerWaalsContact O-CE 3.25Å; N119-K123 WeakPolarHBondContact O-CE 3.21Å; N119-K123 VanDerWaalsContact O-CG 3.29Å; N119-K123 WeakPolarHBondContact O-CG 3.39Å; Q120-K123 PolarHBondContact O-N 3.36Å; G121-K123 PolarHBondContact O-N 2.68Å; G121-K123 VanDerWaalsContact O-N 3.15Å
124Q97.4Very high97.7Very high86 Ų8630.6 Ų30.640%0.40215%0.153SC..Hα-helixtrans-93.6-14.6178.6-59.9-171.924.700112.7I80 V106 G121 I122 S126I80-Q124 HydrophobicContact CD1-CB 3.84Å; V106-Q124 VanDerWaalsContact CG2-CD 3.48Å; V106-Q124 VanDerWaalsContact CG2-OE1 3.24Å; G121-Q124 PolarHBondContact O-N 2.83Å; I122-Q124 PolarHBondContact O-N 3.32Å; Q124-S126 PolarHBondContact O-N 3.25Å
125A98.1Very high97.7Very high4 Ų429.5 Ų29.53%0.03315%0.148CC..  trans-58126.4178.100000111.6T50 E78 I80 G121 I122 V130 K210T50-A125 HydrophobicContact CG2-CB 3.65Å; E78-A125 WeakPolarHBondContact OE2-CA 3.3Å; I80-A125 HydrophobicContact CD1-CB 4.42Å; G121-A125 PolarHBondContact O-N 2.74Å; I122-A125 WeakPolarHBondContact O-CB 3.38Å; I122-A125 PolarHBondContact O-N 3.31Å; A125-V130 HydrophobicContact CB-CG2 4.03Å; A125-K210 PolarHBondContact O-NZ 3.49Å
126S97.8Very high97.5Very high74 Ų7429.5 Ų29.552%0.51715%0.147SC..  trans-84.6-31.7177.458.20000112.8E78 Q124E78-S126 VanDerWaalsContact OE1-CB 3.28Å; E78-S126 WeakPolarHBondContact OE1-CB 3.39Å; E78-S126 PolarHBondContact OE1-OG 2.73Å; E78-S126 PolarHBondContact OE2-N 3.07Å; E78-S126 PolarHBondContact OE2-OG 2.84Å; Q124-S126 PolarHBondContact O-N 3.25Å
127Y98.3Very high97.5Very high81 Ų8129 Ų2932%0.31814%0.144SC..SBendtrans-86.2162-176.8-62.7-60.8000114.2G48 T50 E78 Y129 K210G48-Y127 WeakPolarHBondContact O-CB 3.31Å; T50-Y127 PolarHBondContact OG1-N 2.78Å; E78-Y127 HydrophobicContact CB-CD2 3.8Å; E78-Y127 HydrophobicContact CB-CE2 3.6Å; Y127-Y129 VanDerWaalsContact C-N 3.3Å; Y127-K210 VanDerWaalsContact O-CD 3.3Å; Y127-K210 WeakPolarHBondContact O-CD 3.42Å
128D97.6Very high97.5Very high100 Ų10030.6 Ų30.654%0.53515%0.153SC..SBendtrans-76.6-15.7178-80.4-28.5000113.7K210D128-K210 VanDerWaalsContact O-CB 3.23Å; D128-K210 WeakPolarHBondContact O-CB 3.42Å; D128-K210 PolarHBondContact O-N 3.46Å
129Y98.4Very high97.5Very high26 Ų2630.5 Ų30.510%0.10215%0.152CC..EExtended strand (participates in β ladder)trans-117.7132.7178.7-57.9-82.7000110.8E47 I49 T50 Y127 I148 F151 F208 K209E47-Y129 HydrophobicContact CB-CD2 3.87Å; E47-Y129 HydrophobicContact CB-CE2 3.75Å; E47-Y129 HydrophobicContact CG-CD2 4.33Å; E47-Y129 HydrophobicContact CG-CE2 3.68Å; I49-Y129 WeakPolarHBondContact CA-O 3.44Å; T50-Y129 PolarHBondContact N-O 2.87Å; Y127-Y129 VanDerWaalsContact C-N 3.3Å; Y129-I148 HydrophobicContact CD1-CD1 3.76Å; Y129-I148 HydrophobicContact CD2-CD1 3.57Å; Y129-I148 HydrophobicContact CE1-CD1 4.09Å; Y129-I148 HydrophobicContact CE2-CD1 3.92Å; Y129-I148 HydrophobicContact CG-CD1 3.48Å; Y129-I148 VanDerWaalsContact CG-CD1 3.48Å; Y129-F151 HydrophobicContact CD1-CD1 4.26Å; Y129-F151 HydrophobicContact CD1-CD2 4.14Å; Y129-F151 HydrophobicContact CD1-CE1 4.45Å; Y129-F151 HydrophobicContact CD1-CE2 4.33Å; Y129-F151 HydrophobicContact CD1-CG 4.09Å; Y129-F151 HydrophobicContact CD1-CZ 4.47Å; Y129-F151 HydrophobicContact CE1-CB 3.73Å; Y129-F151 AromaticContact CE1-CD1 3.64Å; Y129-F151 HydrophobicContact CE1-CD1 3.64Å; Y129-F151 HydrophobicContact CE1-CD2 4.01Å; Y129-F151 HydrophobicContact CE1-CE1 4.22Å; Y129-F151 AromaticContact CE1-CG 3.51Å; Y129-F151 HydrophobicContact CE1-CG 3.51Å; Y129-F208 CarbonylContact C-O 3.59Å; Y129-F208 WeakPolarHBondContact CA-O 3.43Å; Y129-K209 HydrophobicContact CE1-CG 4.43Å
130V98.6Very high97.3Very high0 Ų031.4 Ų31.40%016%0.157CC..EExtended strand (participates in β ladder)trans-128113.7-169.7178.60000109T50 L52 I122 A125 F208 K210T50-V130 CarbonylContact O-C 3.52Å; T50-V130 WeakPolarHBondContact O-CA 3.13Å; L52-V130 HydrophobicContact CD1-CG1 3.23Å; L52-V130 HydrophobicContact CG-CG1 3.55Å; I122-V130 HydrophobicContact CD1-CG2 4.43Å; I122-V130 HydrophobicContact CG1-CG1 4.37Å; I122-V130 HydrophobicContact CG1-CG2 4.14Å; A125-V130 HydrophobicContact CB-CG2 4.03Å; V130-F208 PolarHBondContact N-O 3.46Å; V130-F208 PolarHBondContact O-N 3.34Å; V130-K210 HydrophobicContact CG2-CB 3.91Å; V130-K210 HydrophobicContact CG2-CD 4.4Å; V130-K210 HydrophobicContact CG2-CG 4.21Å
131M98.6Very high97.2Very high0 Ų031.2 Ų31.20%016%0.156CC..EExtended strand (participates in β ladder)trans-95.1112.2178.1-171.1164.8-74.300110.1I49 T50 F51 L52 L133 P144 M147 F205 T206 L207I49-M131 HydrophobicContact CD1-CE 4.13Å; I49-M131 HydrophobicContact CG2-CB 3.62Å; I49-M131 HydrophobicContact CG2-CE 4.33Å; T50-M131 PolarHBondContact O-N 3.21Å; F51-M131 CarbonylContact C-O 3.58Å; F51-M131 WeakPolarHBondContact CA-O 3.37Å; F51-M131 HydrophobicContact CD1-CB 4.14Å; F51-M131 HydrophobicContact CD1-CG 4.13Å; F51-M131 HydrophobicContact CD1-SD 3.66Å; F51-M131 HydrophobicContact CE1-CB 4.43Å; F51-M131 HydrophobicContact CE1-CE 4.44Å; F51-M131 HydrophobicContact CE1-CG 4.24Å; F51-M131 HydrophobicContact CE1-SD 3.18Å; F51-M131 WeakPolarHBondContact CE1-SD 3.26Å; F51-M131 HydrophobicContact CG-CB 4.42Å; F51-M131 HydrophobicContact CZ-SD 3.84Å; L52-M131 PolarHBondContact N-O 3.41Å; M131-L133 HydrophobicContact CG-CD2 4.36Å; M131-L133 HydrophobicContact CG-CG 4.39Å; M131-P144 HydrophobicContact CE-CB 3.95Å; M131-P144 HydrophobicContact CE-CG 4.33Å; M131-P144 HydrophobicContact SD-CG 4.34Å; M131-M147 HydrophobicContact CE-CB 4.28Å; M131-M147 HydrophobicContact CE-CG 4.44Å; M131-F205 HydrophobicContact CE-CE2 4.1Å; M131-F205 HydrophobicContact CG-CD2 4.34Å; M131-F205 HydrophobicContact CG-CE2 4.08Å; M131-F205 HydrophobicContact SD-CD2 4.32Å; M131-F205 HydrophobicContact SD-CE2 3.5Å; M131-F205 VanDerWaalsContact SD-CE2 3.5Å; M131-F205 HydrophobicContact SD-CZ 4.36Å; M131-T206 CarbonylContact C-O 3.55Å; M131-T206 WeakPolarHBondContact CA-O 3.41Å; M131-L207 HydrophobicContact CB-CD1 4.02Å; M131-L207 HydrophobicContact CE-CB 4.19Å; M131-L207 HydrophobicContact CE-CD1 4.09Å; M131-L207 HydrophobicContact CE-CD2 4.44Å; M131-L207 HydrophobicContact CE-CG 4.48Å
132C98.5Very high96.9Very high4 Ų433 Ų333%0.02717%0.166CC..EExtended strand (participates in β ladder)trans-90.7129.2176.8-60.20000110.3L118 T206 F208 W219L118-C132 HydrophobicContact CD2-CB 4.22Å; C132-T206 PolarHBondContact N-O 2.93Å; C132-T206 PolarHBondContact O-N 3.28Å; C132-F208 HydrophobicContact CB-CE2 4.11Å; C132-W219 VanDerWaalsContact SG-CZ2 3.57Å
133L97.8Very high96.8Very high0 Ų033 Ų330%017%0.166CC..EExtended strand (participates in β ladder)trans-127.1144.6-179.6-63.6177.4000111F51 L52 L53 V69 M131 T137 V139 V204 F205F51-L133 HydrophobicContact CD1-CD1 3.92Å; L52-L133 PolarHBondContact O-N 2.87Å; L53-L133 HydrophobicContact CD1-CB 4.4Å; L53-L133 HydrophobicContact CD1-CD1 3.96Å; L53-L133 HydrophobicContact CG-CB 4.13Å; L53-L133 HydrophobicContact CG-CD1 4.31Å; V69-L133 HydrophobicContact CG2-CD1 3.57Å; M131-L133 HydrophobicContact CG-CD2 4.36Å; M131-L133 HydrophobicContact CG-CG 4.39Å; L133-T137 HydrophobicContact CD2-CG2 4.35Å; L133-V139 HydrophobicContact CD1-CG2 3.87Å; L133-V139 HydrophobicContact CD2-CG2 3.58Å; L133-V139 HydrophobicContact CG-CG2 4.42Å; L133-V204 WeakPolarHBondContact CA-O 3.49Å; L133-F205 HydrophobicContact CD2-CB 4.45Å; L133-F205 HydrophobicContact CD2-CD2 3.38Å; L133-F205 HydrophobicContact CD2-CE2 3.97Å; L133-F205 HydrophobicContact CD2-CG 4.31Å
134D95.6Very high96.7Very high29 Ų2927.4 Ų27.416%0.15514%0.141CC..EExtended strand (participates in β ladder)trans-79.2151.6162.3-76.9-22.8000110.5K114 D136 T137 V204K114-D134 WeakPolarHBondContact CE-OD1 3.38Å; K114-D134 IonicContact NZ-OD1 3.57Å; K114-D134 PolarHBondContact NZ-OD1 3.48Å; K114-D134 IonicContact NZ-OD2 3.78Å; D134-D136 VanDerWaalsContact CB-OD1 3.28Å; D134-D136 WeakPolarHBondContact CB-OD1 3.44Å; D134-D136 PolarHBondContact O-N 3.39Å; D134-T137 WeakPolarHBondContact O-CB 3.42Å; D134-T137 PolarHBondContact O-N 2.98Å; D134-T137 PolarHBondContact O-OG1 3.08Å; D134-V204 HydrophobicContact CB-CG1 4.3Å; D134-V204 PolarHBondContact N-O 3.4Å; D134-V204 WeakPolarHBondContact OD2-CG2 3.36Å
135A94.5Very high96.5Very high2 Ų224.2 Ų24.22%0.01713%0.126CC..THydrogen-bonded Turntrans-67-2.8-178.500000115C55 E58 T61 I62 T65C55-A135 HydrophobicContact CB-CB 3.65Å; E58-A135 HydrophobicContact CB-CB 3.83Å; E58-A135 HydrophobicContact CG-CB 3.67Å; T61-A135 CarbonylContact C-O 3.57Å; T61-A135 PolarHBondContact OG1-O 3.24Å; I62-A135 HydrophobicContact CD1-CB 4.09Å; T65-A135 VanDerWaalsContact CB-O 3.24Å; T65-A135 WeakPolarHBondContact CB-O 3.44Å; T65-A135 VanDerWaalsContact OG1-C 3.22Å; T65-A135 PolarHBondContact OG1-O 3.38Å
136D94.1Very high96.3Very high7 Ų725.2 Ų25.24%0.03713%0.129CC..THydrogen-bonded Turntrans-116.821.2179.666.4-9.3000113.3T61 D134 L252 R407T61-D136 HydrophobicContact CG2-CB 4.1Å; D134-D136 VanDerWaalsContact CB-OD1 3.28Å; D134-D136 WeakPolarHBondContact CB-OD1 3.44Å; D134-D136 PolarHBondContact O-N 3.39Å; D136-L252 HydrophobicContact CB-CB 4.47Å; D136-L252 HydrophobicContact CB-CD1 4.12Å; D136-L252 HydrophobicContact CB-CG 4.46Å; D136-R407 IonicContact OD2-CZ 3.05Å; D136-R407 IonicContact OD2-NE 2.62Å; D136-R407 PolarHBondContact OD2-NE 3.32Å; D136-R407 IonicContact OD2-NH2 3.76Å; D136-R407 PolarHBondContact OD2-NH2 2.75Å
137T96.2Very high96.1Very high0 Ų021.7 Ų21.70%010%0.104CC..  trans-109.5121.4-171.2-60.70000112.8T65 L133 D134 V139 V204 C249 W250T65-T137 WeakPolarHBondContact CG2-O 3.37Å; T65-T137 PolarHBondContact OG1-N 2.95Å; L133-T137 HydrophobicContact CD2-CG2 4.35Å; D134-T137 WeakPolarHBondContact O-CB 3.42Å; D134-T137 PolarHBondContact O-N 2.98Å; D134-T137 PolarHBondContact O-OG1 3.08Å; T137-V139 HydrophobicContact CG2-CG2 4.25Å; T137-V204 HydrophobicContact CG2-CG1 4.05Å; T137-V204 WeakPolarHBondContact OG1-CG1 3.29Å; T137-C249 HydrophobicContact CG2-CB 3.62Å; T137-W250 WeakPolarHBondContact CA-O 3.4Å
138I97.2Very high95.9Very high34 Ų3418.2 Ų18.217%0.1749%0.091CC..EExtended strand (participates in β ladder)trans-92.1120.1169.3-54.4-54.7000108.9D64 N68 C249 W250D64-I138 HydrophobicContact CB-CD1 4.2Å; N68-I138 HydrophobicContact CB-CD1 4.09Å; N68-I138 HydrophobicContact CB-CG2 4.42Å; N68-I138 WeakPolarHBondContact ND2-CG2 3.24Å; I138-C249 CarbonylContact O-C 3.51Å; I138-C249 WeakPolarHBondContact O-CA 3.43Å; I138-C249 WeakPolarHBondContact O-CB 3.16Å; I138-W250 HydrophobicContact CB-CB 4.36Å; I138-W250 HydrophobicContact CB-CE3 4.38Å; I138-W250 HydrophobicContact CG2-CE3 4.16Å; I138-W250 PolarHBondContact N-O 3.39Å; I138-W250 PolarHBondContact O-N 3.18Å
139V97.8Very high95.6Very high2 Ų216.1 Ų16.11%0.0128%0.078CC..EExtended strand (participates in β ladder)trans-92.1135.8-179-176.90000109.9N68 L72 L133 T137 A143 P144 F205N68-V139 PolarHBondContact ND2-O 2.59Å; N68-V139 VanDerWaalsContact ND2-O 3.09Å; N68-V139 PolarHBondContact OD1-N 2.99Å; N68-V139 PolarHBondContact OD1-O 3.07Å; L72-V139 HydrophobicContact CD1-CB 4.5Å; L72-V139 HydrophobicContact CD1-CG1 4.43Å; L72-V139 HydrophobicContact CD2-CB 4.21Å; L72-V139 HydrophobicContact CD2-CG1 4.15Å; L133-V139 HydrophobicContact CD1-CG2 3.87Å; L133-V139 HydrophobicContact CD2-CG2 3.58Å; L133-V139 HydrophobicContact CG-CG2 4.42Å; T137-V139 HydrophobicContact CG2-CG2 4.25Å; V139-A143 HydrophobicContact CG1-CB 4.24Å; V139-P144 HydrophobicContact CG1-CG 4.22Å; V139-F205 HydrophobicContact CG1-CE2 3.86Å; V139-F205 HydrophobicContact CG1-CZ 3.8Å; V139-F205 HydrophobicContact CG2-CE2 4.26Å
140D95.8Very high95.3Very high37 Ų3716 Ų1620%0.1988%0.08CC..PPolyproline II helixtrans-66.1140.9170.8-178.4-84.3000110.7D142 A143 P144 M248 W250D140-D142 PolarHBondContact O-N 3.29Å; D140-D142 PolarHBondContact OD1-N 2.86Å; D140-A143 HydrophobicContact CB-CB 3.95Å; D140-A143 WeakPolarHBondContact O-CB 3.46Å; D140-A143 PolarHBondContact O-N 3.08Å; D140-A143 VanDerWaalsContact O-N 3.11Å; D140-A143 PolarHBondContact OD1-N 3.32Å; D140-P144 WeakPolarHBondContact O-CD 3.43Å; D140-M248 HydrophobicContact CB-CB 4.15Å; D140-M248 VanDerWaalsContact CB-O 3.26Å; D140-M248 WeakPolarHBondContact CB-O 3.24Å; D140-M248 PolarHBondContact N-O 3.35Å; D140-M248 VanDerWaalsContact N-O 3.13Å; D140-W250 HydrophobicContact CB-CH2 3.87Å; D140-W250 HydrophobicContact CB-CZ3 3.74Å
141Q94.9Very high95.1Very high51 Ų5116.7 Ų16.724%0.2388%0.082CC..THydrogen-bonded Turntrans-58.9-34.9-172.8-69.8-68-32.500113.5A71 K73A71-Q141 PolarHBondContact O-OE1 3.13Å; K73-Q141 HydrophobicContact CD-CB 4.43Å
142D92.9Very high94.6Very high38 Ų3821.5 Ų21.520%0.20310%0.103CC..THydrogen-bonded Turntrans-94.7-11.4-177.8-64-34.1000111.9D140 Y145 Y146D140-D142 PolarHBondContact O-N 3.29Å; D140-D142 PolarHBondContact OD1-N 2.86Å; D142-Y145 WeakPolarHBondContact O-CB 3.29Å; D142-Y145 PolarHBondContact O-N 2.79Å; D142-Y145 VanDerWaalsContact O-N 3.11Å; D142-Y146 HydrophobicContact CB-CD2 4.44Å; D142-Y146 HydrophobicContact CB-CE2 3.76Å; D142-Y146 VanDerWaalsContact O-CD2 3.3Å; D142-Y146 WeakPolarHBondContact O-CD2 3.4Å; D142-Y146 PolarHBondContact O-N 3.39Å
143A95.2Very high93.9Very high0 Ų027.7 Ų27.70%013%0.132CC..Hα-helixtrans-56.9-44.2-17600000114.7V139 D140 Y145 Y146 M147 F205 A247 M248V139-A143 HydrophobicContact CG1-CB 4.24Å; D140-A143 HydrophobicContact CB-CB 3.95Å; D140-A143 WeakPolarHBondContact O-CB 3.46Å; D140-A143 PolarHBondContact O-N 3.08Å; D140-A143 VanDerWaalsContact O-N 3.11Å; D140-A143 PolarHBondContact OD1-N 3.32Å; A143-Y145 PolarHBondContact O-N 2.93Å; A143-Y146 PolarHBondContact O-N 3.06Å; A143-M147 WeakPolarHBondContact O-CG 3.4Å; A143-M147 PolarHBondContact O-N 2.85Å; A143-M147 VanDerWaalsContact O-N 3.09Å; A143-F205 HydrophobicContact CB-CE1 3.88Å; A143-F205 HydrophobicContact CB-CZ 3.72Å; A143-A247 HydrophobicContact CB-CB 4.05Å; A143-M248 WeakPolarHBondContact CB-O 3.1Å
144P95.8Very high93.5Very high0 Ų028.3 Ų28.30%014%0.135CC..Hα-helixtrans-58.5-33.2177.3-26.636000113.8I49 F51 L72 Y74 M131 V139 D140 M147 I148I49-P144 HydrophobicContact CD1-CB 4.25Å; F51-P144 HydrophobicContact CE1-CG 4.2Å; F51-P144 HydrophobicContact CZ-CB 4.19Å; F51-P144 HydrophobicContact CZ-CG 4.03Å; L72-P144 HydrophobicContact CD1-CG 4.29Å; Y74-P144 HydrophobicContact CD2-CB 3.7Å; Y74-P144 HydrophobicContact CE2-CB 4.18Å; Y74-P144 HydrophobicContact CG-CB 4.12Å; M131-P144 HydrophobicContact CE-CB 3.95Å; M131-P144 HydrophobicContact CE-CG 4.33Å; M131-P144 HydrophobicContact SD-CG 4.34Å; V139-P144 HydrophobicContact CG1-CG 4.22Å; D140-P144 WeakPolarHBondContact O-CD 3.43Å; P144-M147 PolarHBondContact O-N 3.43Å; P144-I148 PolarHBondContact O-N 2.83Å
145Y93.8Very high93.4Very high20 Ų2032.1 Ų32.18%0.07816%0.161CC..Hα-helixtrans-69.9-41.2178.3-65.1-77.5000112.5P39 I41 L46 K73 Y74 D142 A143 M147 I148 E149P39-Y145 HydrophobicContact CG-CG 4.14Å; I41-Y145 HydrophobicContact CD1-CD1 3.34Å; I41-Y145 HydrophobicContact CD1-CD2 4.06Å; I41-Y145 HydrophobicContact CD1-CE1 3.38Å; I41-Y145 HydrophobicContact CD1-CE2 4.1Å; I41-Y145 HydrophobicContact CD1-CG 3.68Å; I41-Y145 HydrophobicContact CG1-CD1 3.58Å; I41-Y145 HydrophobicContact CG1-CE1 3.85Å; I41-Y145 HydrophobicContact CG1-CG 4.21Å; I41-Y145 HydrophobicContact CG2-CD1 4.36Å; I41-Y145 HydrophobicContact CG2-CE1 3.97Å; L46-Y145 HydrophobicContact CD1-CD1 4.05Å; L46-Y145 HydrophobicContact CD1-CE1 3.91Å; L46-Y145 HydrophobicContact CD2-CE1 4.12Å; K73-Y145 PolarHBondContact O-OH 2.95Å; Y74-Y145 WeakPolarHBondContact CA-OH 3.36Å; Y74-Y145 AromaticContact CD2-CD1 3.62Å; Y74-Y145 HydrophobicContact CD2-CD1 3.62Å; Y74-Y145 AromaticContact CD2-CD2 3.99Å; Y74-Y145 HydrophobicContact CD2-CD2 3.99Å; Y74-Y145 AromaticContact CD2-CE1 3.45Å; Y74-Y145 HydrophobicContact CD2-CE1 3.45Å; Y74-Y145 VanDerWaalsContact CD2-CE1 3.45Å; Y74-Y145 AromaticContact CD2-CE2 3.84Å; Y74-Y145 HydrophobicContact CD2-CE2 3.84Å; Y74-Y145 AromaticContact CD2-CG 3.91Å; Y74-Y145 HydrophobicContact CD2-CG 3.91Å; Y74-Y145 AromaticContact CD2-CZ 3.59Å; Y74-Y145 AromaticContact CE2-CD1 3.55Å; Y74-Y145 HydrophobicContact CE2-CD1 3.55Å; Y74-Y145 AromaticContact CE2-CE1 3.65Å; Y74-Y145 HydrophobicContact CE2-CE1 3.65Å; Y74-Y145 HydrophobicContact CE2-CG 4.08Å; Y74-Y145 HydrophobicContact CG-CE1 4.43Å; D142-Y145 WeakPolarHBondContact O-CB 3.29Å; D142-Y145 PolarHBondContact O-N 2.79Å; D142-Y145 VanDerWaalsContact O-N 3.11Å; A143-Y145 PolarHBondContact O-N 2.93Å; Y145-M147 VanDerWaalsContact C-N 3.27Å; Y145-M147 PolarHBondContact O-N 3.38Å; Y145-I148 WeakPolarHBondContact O-CG2 3.29Å; Y145-E149 WeakPolarHBondContact O-CB 3.29Å; Y145-E149 PolarHBondContact O-N 3.13Å; Y145-E149 VanDerWaalsContact O-N 3.16Å
146Y92.8Very high93.4Very high25 Ų2538 Ų3810%0.09819%0.187CC..Hα-helixtrans-63.4-36.8173.4-61.9-59.4000111.7K37 P39 D142 A143 N150 L246K37-Y146 PolarHBondContact O-OH 3.06Å; P39-Y146 HydrophobicContact CG-CD1 4.26Å; P39-Y146 HydrophobicContact CG-CE1 4.07Å; D142-Y146 HydrophobicContact CB-CD2 4.44Å; D142-Y146 HydrophobicContact CB-CE2 3.76Å; D142-Y146 VanDerWaalsContact O-CD2 3.3Å; D142-Y146 WeakPolarHBondContact O-CD2 3.4Å; D142-Y146 PolarHBondContact O-N 3.39Å; A143-Y146 PolarHBondContact O-N 3.06Å; Y146-N150 PolarHBondContact O-ND2 3.23Å; Y146-L246 HydrophobicContact CD1-CB 4.04Å; Y146-L246 HydrophobicContact CD1-CD1 3.88Å; Y146-L246 HydrophobicContact CD2-CB 3.71Å; Y146-L246 HydrophobicContact CE1-CB 4.32Å; Y146-L246 HydrophobicContact CE1-CD1 3.92Å; Y146-L246 HydrophobicContact CE2-CB 4.02Å; Y146-L246 HydrophobicContact CG-CB 3.74Å; Y146-L246 HydrophobicContact CG-CD1 4.43Å
147M94.4Very high93.6Very high0 Ų037.7 Ų37.70%019%0.185CC..Hα-helixtrans-67.8-46.1179.9-63.4-76.1-87.900112M131 A143 P144 Y145 N150 V160 F205 L207 E244 A247M131-M147 HydrophobicContact CE-CB 4.28Å; M131-M147 HydrophobicContact CE-CG 4.44Å; A143-M147 WeakPolarHBondContact O-CG 3.4Å; A143-M147 PolarHBondContact O-N 2.85Å; A143-M147 VanDerWaalsContact O-N 3.09Å; P144-M147 PolarHBondContact O-N 3.43Å; Y145-M147 VanDerWaalsContact C-N 3.27Å; Y145-M147 PolarHBondContact O-N 3.38Å; M147-N150 WeakPolarHBondContact O-CB 3.18Å; M147-N150 PolarHBondContact O-N 2.67Å; M147-V160 HydrophobicContact CE-CB 4.31Å; M147-V160 HydrophobicContact CE-CG1 4.24Å; M147-V160 WeakPolarHBondContact CE-O 3.44Å; M147-V160 HydrophobicContact SD-CB 4.16Å; M147-V160 HydrophobicContact SD-CG1 3.53Å; M147-V160 VanDerWaalsContact SD-CG1 3.53Å; M147-F205 HydrophobicContact CE-CE1 4.47Å; M147-F205 HydrophobicContact CE-CZ 4.47Å; M147-F205 HydrophobicContact CG-CZ 4.29Å; M147-L207 HydrophobicContact CB-CB 4.07Å; M147-L207 HydrophobicContact CB-CD2 3.67Å; M147-L207 HydrophobicContact CE-CB 3.83Å; M147-E244 HydrophobicContact SD-CB 3.97Å; M147-E244 HydrophobicContact SD-CG 4.41Å; M147-A247 HydrophobicContact CG-CB 3.46Å; M147-A247 VanDerWaalsContact CG-CB 3.46Å; M147-A247 HydrophobicContact SD-CB 3.35Å; M147-A247 WeakPolarHBondContact SD-CB 3.28Å
148I94.3Very high93.6Very high7 Ų737.7 Ų37.74%0.03619%0.185CC..Hα-helixtrans-71.3-35.9-177.4-16464.5000112.5E47 I49 Y74 Y129 P144 Y145 N150 F151 L207E47-I148 HydrophobicContact CB-CD1 3.87Å; E47-I148 HydrophobicContact CB-CG1 3.87Å; E47-I148 HydrophobicContact CG-CD1 4.49Å; E47-I148 HydrophobicContact CG-CG1 4.44Å; I49-I148 HydrophobicContact CD1-CB 4.2Å; I49-I148 HydrophobicContact CD1-CD1 4.43Å; I49-I148 HydrophobicContact CG1-CD1 4.31Å; Y74-I148 HydrophobicContact CE2-CG2 4.2Å; Y129-I148 HydrophobicContact CD1-CD1 3.76Å; Y129-I148 HydrophobicContact CD2-CD1 3.57Å; Y129-I148 HydrophobicContact CE1-CD1 4.09Å; Y129-I148 HydrophobicContact CE2-CD1 3.92Å; Y129-I148 HydrophobicContact CG-CD1 3.48Å; Y129-I148 VanDerWaalsContact CG-CD1 3.48Å; P144-I148 PolarHBondContact O-N 2.83Å; Y145-I148 WeakPolarHBondContact O-CG2 3.29Å; I148-N150 PolarHBondContact O-N 2.83Å; I148-N150 VanDerWaalsContact O-N 3.13Å; I148-F151 PolarHBondContact O-N 3.29Å; I148-L207 HydrophobicContact CB-CD2 4.22Å; I148-L207 HydrophobicContact CD1-CD2 4Å
149E91.3Very high93.7Very high56 Ų5636.1 Ų36.126%0.26218%0.176SC..Hα-helixtrans-57.3-32.2179-176.958.4-149.400112Y145 F151 K152 H153Y145-E149 WeakPolarHBondContact O-CB 3.29Å; Y145-E149 PolarHBondContact O-N 3.13Å; Y145-E149 VanDerWaalsContact O-N 3.16Å; E149-F151 PolarHBondContact O-N 2.9Å; E149-K152 PolarHBondContact O-N 3.22Å; E149-K152 WeakPolarHBondContact OE2-CD 3.47Å; E149-K152 VanDerWaalsContact OE2-CE 3.29Å; E149-K152 WeakPolarHBondContact OE2-CE 3.45Å; E149-K152 IonicContact OE2-NZ 2.6Å; E149-K152 PolarHBondContact OE2-NZ 2.89Å; E149-H153 PolarHBondContact O-CD2 3.02Å; E149-H153 VanDerWaalsContact O-CD2 3.26Å; E149-H153 IonicContact OE1-CD2 2.86Å; E149-H153 IonicContact OE1-CE1 3.78Å; E149-H153 IonicContact OE1-NE2 2.98Å; E149-H153 PolarHBondContact OE1-NE2 3.49Å
150N91.8Very high93.7Very high25 Ų2536 Ų3613%0.13418%0.176CC..Hα-helixtrans-61.2-28.1177.7-89.2-86.1000113.9Y146 M147 I148 L157 V160 K242 E244Y146-N150 PolarHBondContact O-ND2 3.23Å; M147-N150 WeakPolarHBondContact O-CB 3.18Å; M147-N150 PolarHBondContact O-N 2.67Å; I148-N150 PolarHBondContact O-N 2.83Å; I148-N150 VanDerWaalsContact O-N 3.13Å; N150-L157 HydrophobicContact CB-CD2 3.99Å; N150-L157 VanDerWaalsContact O-CD2 3.3Å; N150-L157 WeakPolarHBondContact O-CD2 3.4Å; N150-V160 HydrophobicContact CB-CG1 4.39Å; N150-V160 HydrophobicContact CB-CG2 3.68Å; N150-K242 WeakPolarHBondContact OD1-CD 3.49Å; N150-E244 PolarHBondContact ND2-OE2 3.4Å
151F93.7Very high93.8Very high13 Ų1334.2 Ų34.26%0.05717%0.166CC..Hα-helixtrans-78.6-23.6-179.1-75.1-86.6000113.4Y129 I148 E149 H153 L157 V160 L207 K209Y129-F151 HydrophobicContact CD1-CD1 4.26Å; Y129-F151 HydrophobicContact CD1-CD2 4.14Å; Y129-F151 HydrophobicContact CD1-CE1 4.45Å; Y129-F151 HydrophobicContact CD1-CE2 4.33Å; Y129-F151 HydrophobicContact CD1-CG 4.09Å; Y129-F151 HydrophobicContact CD1-CZ 4.47Å; Y129-F151 HydrophobicContact CE1-CB 3.73Å; Y129-F151 AromaticContact CE1-CD1 3.64Å; Y129-F151 HydrophobicContact CE1-CD1 3.64Å; Y129-F151 HydrophobicContact CE1-CD2 4.01Å; Y129-F151 HydrophobicContact CE1-CE1 4.22Å; Y129-F151 AromaticContact CE1-CG 3.51Å; Y129-F151 HydrophobicContact CE1-CG 3.51Å; I148-F151 PolarHBondContact O-N 3.29Å; E149-F151 PolarHBondContact O-N 2.9Å; F151-H153 PolarHBondContact O-N 3.29Å; F151-L157 HydrophobicContact CD1-CB 3.94Å; F151-L157 HydrophobicContact CD1-CD2 3.88Å; F151-L157 HydrophobicContact CD1-CG 4Å; F151-L157 HydrophobicContact CD2-CD2 4.27Å; F151-L157 HydrophobicContact CE1-CB 4.01Å; F151-L157 HydrophobicContact CE1-CD2 4.05Å; F151-L157 HydrophobicContact CE1-CG 3.8Å; F151-L157 WeakPolarHBondContact CE1-O 3.28Å; F151-L157 HydrophobicContact CE2-CD2 4.41Å; F151-L157 HydrophobicContact CG-CD2 4.01Å; F151-L157 HydrophobicContact CZ-CD2 4.33Å; F151-L157 HydrophobicContact CZ-CG 4.25Å; F151-V160 HydrophobicContact CD2-CG2 4.03Å; F151-V160 HydrophobicContact CE2-CB 4.19Å; F151-V160 HydrophobicContact CE2-CG2 3.46Å; F151-V160 VanDerWaalsContact CE2-CG2 3.46Å; F151-V160 HydrophobicContact CZ-CG2 3.9Å; F151-L207 HydrophobicContact CD2-CD2 4.03Å; F151-L207 HydrophobicContact CE2-CB 4.32Å; F151-L207 HydrophobicContact CE2-CD2 3.68Å; F151-L207 HydrophobicContact CE2-CG 3.76Å; F151-L207 HydrophobicContact CZ-CG 4.46Å; F151-K209 HydrophobicContact CD1-CB 4.46Å; F151-K209 HydrophobicContact CE1-CB 3.84Å
152K88Confident93.8Very high102 Ų10231.8 Ų31.844%0.44316%0.155SC..Hα-helixtrans-61.7-31.9176.8-64-174-175.7164.70112.6E149E149-K152 PolarHBondContact O-N 3.22Å; E149-K152 WeakPolarHBondContact OE2-CD 3.47Å; E149-K152 VanDerWaalsContact OE2-CE 3.29Å; E149-K152 WeakPolarHBondContact OE2-CE 3.45Å; E149-K152 IonicContact OE2-NZ 2.6Å; E149-K152 PolarHBondContact OE2-NZ 2.89Å
153H83.5Confident93.9Very high134 Ų13430.2 Ų30.262%0.6215%0.147SC*.THydrogen-bonded Turntrans-99.1-7.1-170.9-56.5-66.5000114.5E149 F151E149-H153 PolarHBondContact O-CD2 3.02Å; E149-H153 VanDerWaalsContact O-CD2 3.26Å; E149-H153 IonicContact OE1-CD2 2.86Å; E149-H153 IonicContact OE1-CE1 3.78Å; E149-H153 IonicContact OE1-NE2 2.98Å; E149-H153 PolarHBondContact OE1-NE2 3.49Å; F151-H153 PolarHBondContact O-N 3.29Å
154D90.2Very high93.9Very high13 Ų1330.5 Ų30.57%0.0715%0.149CC..  trans-14698-177.1-168.9-15000112.3K156 L157 R240D154-K156 PolarHBondContact O-N 3.4Å; D154-K156 VanDerWaalsContact O-N 3.14Å; D154-K156 PolarHBondContact OD1-N 2.7Å; D154-L157 HydrophobicContact CB-CB 4.08Å; D154-L157 WeakPolarHBondContact O-CB 3.49Å; D154-L157 PolarHBondContact O-N 3.47Å; D154-R240 IonicContact OD1-NH1 3.07Å; D154-R240 VanDerWaalsContact OD2-CD 3.24Å; D154-R240 WeakPolarHBondContact OD2-CD 3.48Å; D154-R240 IonicContact OD2-CZ 3.54Å; D154-R240 IonicContact OD2-NH1 3.93Å; D154-R240 PolarHBondContact OD2-NH1 2.92Å
155P92.4Very high93.7Very high109 Ų10930.8 Ų30.871%0.70815%0.149SC*.THydrogen-bonded Turntrans-66.8-14.9-179.324.1-32.4000114
156K95.5Very high93.5Very high126 Ų12629.9 Ų29.955%0.54815%0.146SC..THydrogen-bonded Turntrans-91.42.7174.7-67.4-170.9177.6-178.90112.8D154 G158 Y239 R240D154-K156 PolarHBondContact O-N 3.4Å; D154-K156 VanDerWaalsContact O-N 3.14Å; D154-K156 PolarHBondContact OD1-N 2.7Å; K156-G158 PolarHBondContact O-N 3.47Å; K156-Y239 WeakPolarHBondContact O-CA 3.45Å; K156-R240 PolarHBondContact O-N 3.45Å
157L97.1Very high93.4Very high0 Ų031.3 Ų31.30%015%0.151CC..EExtended strand (participates in β ladder)trans-71.2121.9176.7-164.561.5000109.9N150 F151 D154 A159 V160 R240 K242N150-L157 HydrophobicContact CB-CD2 3.99Å; N150-L157 VanDerWaalsContact O-CD2 3.3Å; N150-L157 WeakPolarHBondContact O-CD2 3.4Å; F151-L157 HydrophobicContact CD1-CB 3.94Å; F151-L157 HydrophobicContact CD1-CD2 3.88Å; F151-L157 HydrophobicContact CD1-CG 4Å; F151-L157 HydrophobicContact CD2-CD2 4.27Å; F151-L157 HydrophobicContact CE1-CB 4.01Å; F151-L157 HydrophobicContact CE1-CD2 4.05Å; F151-L157 HydrophobicContact CE1-CG 3.8Å; F151-L157 WeakPolarHBondContact CE1-O 3.28Å; F151-L157 HydrophobicContact CE2-CD2 4.41Å; F151-L157 HydrophobicContact CG-CD2 4.01Å; F151-L157 HydrophobicContact CZ-CD2 4.33Å; F151-L157 HydrophobicContact CZ-CG 4.25Å; D154-L157 HydrophobicContact CB-CB 4.08Å; D154-L157 WeakPolarHBondContact O-CB 3.49Å; D154-L157 PolarHBondContact O-N 3.47Å; L157-A159 WeakPolarHBondContact CD1-O 3.34Å; L157-V160 HydrophobicContact CD1-CG2 4.45Å; L157-V160 HydrophobicContact CD2-CG2 3.51Å; L157-V160 HydrophobicContact CG-CG2 4.1Å; L157-R240 HydrophobicContact CD1-CB 4.23Å; L157-K242 HydrophobicContact CD1-CB 4.03Å; L157-K242 HydrophobicContact CD1-CD 3.85Å; L157-K242 HydrophobicContact CD1-CG 3.64Å; L157-K242 HydrophobicContact CD2-CD 4.12Å
158G97.9Very high93.1Very high0 Ų031.7 Ų31.70%015%0.153CC..EExtended strand (participates in β ladder)trans-98.6-31.617600000112.5K156 F208 K209 R240K156-G158 PolarHBondContact O-N 3.47Å; G158-F208 WeakPolarHBondContact O-CA 3.43Å; G158-K209 PolarHBondContact O-N 2.89Å; G158-R240 PolarHBondContact N-O 2.87Å
159A98.4Very high92.4Very high0 Ų034.4 Ų34.40%017%0.165CC..EExtended strand (participates in β ladder)trans-151.2152.7179.400000112.9L157 I201 T206 L207 F208 L234 R240 I241 K242L157-A159 WeakPolarHBondContact CD1-O 3.34Å; A159-I201 HydrophobicContact CB-CG2 4.35Å; A159-T206 HydrophobicContact CB-CG2 4.1Å; A159-L207 CarbonylContact C-O 3.5Å; A159-L207 VanDerWaalsContact CA-O 3.24Å; A159-L207 WeakPolarHBondContact CA-O 3.48Å; A159-F208 HydrophobicContact CB-CD1 3.65Å; A159-F208 HydrophobicContact CB-CE1 3.93Å; A159-F208 HydrophobicContact CB-CG 4.36Å; A159-L234 HydrophobicContact CB-CD1 3.96Å; A159-R240 PolarHBondContact N-O 3.09Å; A159-I241 HydrophobicContact CB-CG1 4.3Å; A159-I241 HydrophobicContact CB-CG2 4.44Å; A159-I241 VanDerWaalsContact O-CA 3.32Å; A159-I241 WeakPolarHBondContact O-CA 3.15Å; A159-K242 PolarHBondContact O-N 2.61Å; A159-K242 VanDerWaalsContact O-N 3.09Å
160V97.6Very high91.8Very high0 Ų035.4 Ų35.40%018%0.178CC..EExtended strand (participates in β ladder)trans-125.7123.5168.3-174.90000107.2M147 N150 F151 L157 T206 L207 K242 E244M147-V160 HydrophobicContact CE-CB 4.31Å; M147-V160 HydrophobicContact CE-CG1 4.24Å; M147-V160 WeakPolarHBondContact CE-O 3.44Å; M147-V160 HydrophobicContact SD-CB 4.16Å; M147-V160 HydrophobicContact SD-CG1 3.53Å; M147-V160 VanDerWaalsContact SD-CG1 3.53Å; N150-V160 HydrophobicContact CB-CG1 4.39Å; N150-V160 HydrophobicContact CB-CG2 3.68Å; F151-V160 HydrophobicContact CD2-CG2 4.03Å; F151-V160 HydrophobicContact CE2-CB 4.19Å; F151-V160 HydrophobicContact CE2-CG2 3.46Å; F151-V160 VanDerWaalsContact CE2-CG2 3.46Å; F151-V160 HydrophobicContact CZ-CG2 3.9Å; L157-V160 HydrophobicContact CD1-CG2 4.45Å; L157-V160 HydrophobicContact CD2-CG2 3.51Å; L157-V160 HydrophobicContact CG-CG2 4.1Å; V160-T206 WeakPolarHBondContact O-CA 3.4Å; V160-T206 VanDerWaalsContact O-CG2 3.31Å; V160-T206 WeakPolarHBondContact O-CG2 3.23Å; V160-L207 PolarHBondContact N-O 3.13Å; V160-L207 PolarHBondContact O-N 2.89Å; V160-K242 CarbonylContact C-O 3.5Å; V160-K242 WeakPolarHBondContact CA-O 3.42Å; V160-E244 HydrophobicContact CG1-CB 3.62Å
161T97.5Very high91.4Very high0 Ų035.5 Ų35.50%018%0.181CC..EExtended strand (participates in β ladder)trans-99.7136.2175.2-175.80000110K189 S202 T206 K242 Y243 E244T161-K189 HydrophobicContact CG2-CD 4.45Å; T161-K189 PolarHBondContact OG1-NZ 3.38Å; T161-S202 WeakPolarHBondContact OG1-CB 3.49Å; T161-S202 PolarHBondContact OG1-N 3.25Å; T161-T206 PolarHBondContact OG1-OG1 3.42Å; T161-K242 PolarHBondContact N-O 3.2Å; T161-Y243 HydrophobicContact CG2-CD2 4.2Å; T161-Y243 WeakPolarHBondContact O-CA 3.44Å; T161-E244 PolarHBondContact O-N 3.48Å
162G95.8Very high90.9Very high0 Ų040.2 Ų40.20%021%0.205CC..EExtended strand (participates in β ladder)trans-80.1-162.8178.100000112.8P164 F205 Y243 A247G162-P164 WeakPolarHBondContact O-CD 3.38Å; G162-F205 PolarHBondContact N-O 3.5Å; G162-Y243 WeakPolarHBondContact O-CD2 3.36Å; G162-Y243 VanDerWaalsContact O-CE2 3.28Å; G162-Y243 WeakPolarHBondContact O-CE2 3.19Å; G162-A247 CarbonylContact C-O 3.58Å; G162-A247 WeakPolarHBondContact CA-O 3.4Å
163N94.6Very high90.7Very high5 Ų536.4 Ų36.43%0.02719%0.19CC..EExtended strand (participates in β ladder)trans-121.281-172.9-169.614.6000111.4R165 Y243 P245 A247 C249N163-R165 PolarHBondContact ND2-NH2 2.78Å; N163-Y243 HydrophobicContact CB-CE2 3.98Å; N163-Y243 PolarHBondContact ND2-OH 2.92Å; N163-Y243 PolarHBondContact OD1-OH 3.46Å; N163-P245 WeakPolarHBondContact CB-O 3.46Å; N163-P245 PolarHBondContact ND2-O 3.33Å; N163-A247 PolarHBondContact N-O 3.37Å; N163-C249 PolarHBondContact O-N 2.78Å
164P94.6Very high90.7Very high6 Ų630 Ų304%0.03916%0.16CC..EExtended strand (participates in β ladder)trans-63.9138-179.6-17.428.2000112.7G162 Y181 S202 C249 M251G162-P164 WeakPolarHBondContact O-CD 3.38Å; P164-Y181 HydrophobicContact CB-CE1 4.47Å; P164-S202 WeakPolarHBondContact CG-OG 3.38Å; P164-C249 CarbonylContact C-O 3.58Å; P164-M251 HydrophobicContact CB-CG 4.35Å; P164-M251 HydrophobicContact CB-SD 3.78Å
165R92.1Very high90.3Very high5 Ų533.4 Ų33.42%0.01917%0.174CC..EExtended strand (participates in β ladder)trans-120.3155.5175.9-56.9-56.4179.4177.19.3109.9N163 C249 W250 M251 D355 Y358N163-R165 PolarHBondContact ND2-NH2 2.78Å; R165-C249 WeakPolarHBondContact CA-O 3.17Å; R165-C249 WeakPolarHBondContact CB-O 3.28Å; R165-C249 PolarHBondContact N-O 3.39Å; R165-W250 HydrophobicContact CB-CG 4.31Å; R165-W250 CarbonylContact O-C 3.53Å; R165-W250 VanDerWaalsContact O-CA 3.28Å; R165-W250 WeakPolarHBondContact O-CA 3.4Å; R165-M251 WeakPolarHBondContact O-CG 3.46Å; R165-M251 PolarHBondContact O-N 3.42Å; R165-D355 IonicContact CZ-OD1 3.54Å; R165-D355 VanDerWaalsContact CZ-OD1 3.27Å; R165-D355 IonicContact CZ-OD2 2.88Å; R165-D355 VanDerWaalsContact NH1-CG 3.28Å; R165-D355 IonicContact NH1-OD1 2.65Å; R165-D355 PolarHBondContact NH1-OD1 3.48Å; R165-D355 IonicContact NH1-OD2 3.46Å; R165-D355 PolarHBondContact NH1-OD2 3.42Å; R165-D355 IonicContact NH2-OD1 2.89Å; R165-D355 PolarHBondContact NH2-OD1 2.84Å; R165-D355 IonicContact NH2-OD2 3.52Å; R165-D355 PolarHBondContact NH2-OD2 2.94Å; R165-Y358 VanDerWaalsContact NH2-CB 3.29Å
166I90.6Very high89.9Confident2 Ų230 Ų301%0.0115%0.149CC..EExtended strand (participates in β ladder)trans-80.7136.8178.8-55.7-49000109.3K169 T178 Y181 M251 V253I166-K169 HydrophobicContact CB-CG 4.47Å; I166-K169 HydrophobicContact CG2-CG 4.1Å; I166-K169 WeakPolarHBondContact O-CE 3.49Å; I166-K169 PolarHBondContact O-NZ 2.69Å; I166-T178 WeakPolarHBondContact CB-OG1 3.15Å; I166-Y181 HydrophobicContact CD1-CD2 3.85Å; I166-Y181 HydrophobicContact CD1-CE2 4.01Å; I166-Y181 HydrophobicContact CD1-CG 4.15Å; I166-Y181 HydrophobicContact CG1-CD2 4.46Å; I166-M251 HydrophobicContact CD1-CG 4.45Å; I166-V253 HydrophobicContact CD1-CB 4.27Å; I166-V253 HydrophobicContact CD1-CG1 3.34Å; I166-V253 HydrophobicContact CD1-CG2 3.98Å; I166-V253 HydrophobicContact CG1-CG2 4.47Å; I166-V253 HydrophobicContact CG2-CG2 3.68Å
167R90Very high89.5Confident55 Ų5524 Ų2421%0.20812%0.124CC..SBendtrans-91.4-54.9171.6-175.3177.6168.8-175.5-0.8111D64 K169 W250 M251 L252 T410 R412D64-R167 IonicContact OD2-CZ 3.42Å; D64-R167 IonicContact OD2-NH1 2.98Å; D64-R167 PolarHBondContact OD2-NH1 2.84Å; D64-R167 IonicContact OD2-NH2 2.86Å; D64-R167 PolarHBondContact OD2-NH2 3.49Å; R167-K169 PolarHBondContact O-N 2.92Å; R167-K169 VanDerWaalsContact O-N 3.07Å; R167-W250 HydrophobicContact CB-CB 4.15Å; R167-M251 WeakPolarHBondContact CB-O 3.48Å; R167-M251 PolarHBondContact N-O 3.03Å; R167-L252 HydrophobicContact CB-CD2 4.06Å; R167-L252 HydrophobicContact CG-CD2 4.31Å; R167-T410 PolarHBondContact NH2-O 3.46Å; R167-R412 PolarHBondContact NE-O 3.03Å; R167-R412 VanDerWaalsContact NE-O 3.08Å
168N88.3Confident88.9Confident8 Ų824.4 Ų24.44%0.04313%0.126CC..  trans-80.687.2-177.558.7-22.4000112.7L252 V253 E255 R407N168-L252 HydrophobicContact CB-CD2 3.78Å; N168-V253 PolarHBondContact ND2-O 3.31Å; N168-V253 WeakPolarHBondContact OD1-CG2 3.08Å; N168-V253 PolarHBondContact OD1-N 2.68Å; N168-E255 WeakPolarHBondContact ND2-CG 3.22Å; N168-R407 PolarHBondContact ND2-O 3.36Å
169K80Confident88.2Confident63 Ų6324.8 Ų24.827%0.27413%0.128SC..  trans-98.519.5-178.9-55.7178.2-171.1169.50113.8I166 R167 K175 T178 E359I166-K169 HydrophobicContact CB-CG 4.47Å; I166-K169 HydrophobicContact CG2-CG 4.1Å; I166-K169 WeakPolarHBondContact O-CE 3.49Å; I166-K169 PolarHBondContact O-NZ 2.69Å; R167-K169 PolarHBondContact O-N 2.92Å; R167-K169 VanDerWaalsContact O-N 3.07Å; K169-K175 VanDerWaalsContact O-CE 3.23Å; K169-K175 WeakPolarHBondContact O-CE 3.23Å; K169-K175 WeakPolarHBondContact O-CG 3.39Å; K169-T178 HydrophobicContact CD-CG2 4.23Å; K169-E359 IonicContact NZ-OE1 2.71Å; K169-E359 PolarHBondContact NZ-OE1 3.36Å; K169-E359 IonicContact NZ-OE2 3.23Å; K169-E359 PolarHBondContact NZ-OE2 2.8Å; K169-E359 VanDerWaalsContact NZ-OE2 3.07Å
170S78.2Confident87.5Confident78 Ų7825 Ų2555%0.54513%0.129SC..  trans-75.6-48.2-17082.90000111.5E255S170-E255 PolarHBondContact OG-OE1 3.06Å
171S83.3Confident86.9Confident26 Ų2625.9 Ų25.918%0.18213%0.132CC..SBendtrans-74.8156.7179.560.60000112.4L173 G174 K175 E255S171-L173 PolarHBondContact O-N 3.03Å; S171-G174 PolarHBondContact O-N 3.13Å; S171-G174 PolarHBondContact OG-N 2.99Å; S171-K175 WeakPolarHBondContact O-CG 3.45Å; S171-K175 PolarHBondContact O-N 3.45Å; S171-E255 WeakPolarHBondContact CB-OE1 3.38Å; S171-E255 PolarHBondContact N-OE1 3.27Å; S171-E255 PolarHBondContact OG-OE1 2.65Å
172I82.3Confident86Confident113 Ų11326.1 Ų26.158%0.57914%0.135SC*.Hα-helixtrans-56.9-36.7169.2-63.8172.6000109.6K175 I176 F368I172-K175 PolarHBondContact O-N 3.3Å; I172-I176 HydrophobicContact CG2-CD1 3.83Å; I172-I176 HydrophobicContact CG2-CG1 4.39Å; I172-I176 WeakPolarHBondContact O-CB 3.27Å; I172-I176 VanDerWaalsContact O-CG1 3.28Å; I172-I176 WeakPolarHBondContact O-CG1 3.48Å; I172-I176 PolarHBondContact O-N 3.41Å; I172-F368 HydrophobicContact CG2-CE1 4.2Å
173L84.4Confident85.4Confident22 Ų2226.2 Ų26.212%0.11514%0.135CC..Hα-helixtrans-65.8-44.9178.4-16361.5000112.5S171 K175 I176 Q177 T256 L257 L260S171-L173 PolarHBondContact O-N 3.03Å; L173-K175 VanDerWaalsContact C-N 3.33Å; L173-K175 PolarHBondContact O-N 3.39Å; L173-I176 PolarHBondContact O-N 3.31Å; L173-Q177 WeakPolarHBondContact O-CG 3.33Å; L173-Q177 PolarHBondContact O-N 2.93Å; L173-Q177 PolarHBondContact O-NE2 3.17Å; L173-T256 VanDerWaalsContact CD2-C 3.49Å; L173-L257 HydrophobicContact CD1-CD2 4.09Å; L173-L257 HydrophobicContact CD2-CD2 4.47Å; L173-L260 HydrophobicContact CD1-CD2 3.69Å; L173-L260 HydrophobicContact CD2-CB 4.25Å; L173-L260 HydrophobicContact CD2-CD2 4.39Å; L173-L260 HydrophobicContact CG-CD2 4.37Å
174G82.9Confident84.8Confident0 Ų026.3 Ų26.30%014%0.136CC..Hα-helixtrans-61.3-39.9174.400000112.4S171 Q177 T178S171-G174 PolarHBondContact O-N 3.13Å; S171-G174 PolarHBondContact OG-N 2.99Å; G174-Q177 PolarHBondContact O-N 2.92Å; G174-T178 PolarHBondContact O-N 3.35Å; G174-T178 PolarHBondContact O-OG1 2.96Å
175K83.6Confident84.5Confident83 Ų8328 Ų2836%0.36114%0.144SC..Hα-helixtrans-64.5-43.4174.8-69.3172.7-175.5172.50112.5K169 S171 I172 L173 T178 I179K169-K175 VanDerWaalsContact O-CE 3.23Å; K169-K175 WeakPolarHBondContact O-CE 3.23Å; K169-K175 WeakPolarHBondContact O-CG 3.39Å; S171-K175 WeakPolarHBondContact O-CG 3.45Å; S171-K175 PolarHBondContact O-N 3.45Å; I172-K175 PolarHBondContact O-N 3.3Å; L173-K175 VanDerWaalsContact C-N 3.33Å; L173-K175 PolarHBondContact O-N 3.39Å; K175-T178 WeakPolarHBondContact O-CB 3.3Å; K175-T178 PolarHBondContact O-N 3.29Å; K175-I179 WeakPolarHBondContact O-CG1 3.45Å; K175-I179 PolarHBondContact O-N 3.48Å; K175-I179 VanDerWaalsContact O-N 3.15Å
176I83.9Confident84.4Confident37 Ų3727.9 Ų27.919%0.1914%0.144CC..Hα-helixtrans-60.7-47.5175.9-75.8170.8000110.7I172 L173 T178 I179 E180 F368 Y372I172-I176 HydrophobicContact CG2-CD1 3.83Å; I172-I176 HydrophobicContact CG2-CG1 4.39Å; I172-I176 WeakPolarHBondContact O-CB 3.27Å; I172-I176 VanDerWaalsContact O-CG1 3.28Å; I172-I176 WeakPolarHBondContact O-CG1 3.48Å; I172-I176 PolarHBondContact O-N 3.41Å; L173-I176 PolarHBondContact O-N 3.31Å; I176-T178 VanDerWaalsContact C-N 3.29Å; I176-T178 PolarHBondContact O-N 3.41Å; I176-I179 PolarHBondContact O-N 3.3Å; I176-E180 PolarHBondContact O-N 2.88Å; I176-F368 HydrophobicContact CG1-CD1 4.46Å; I176-Y372 HydrophobicContact CG2-CD2 3.31Å; I176-Y372 HydrophobicContact CG2-CE2 3.07Å; I176-Y372 HydrophobicContact CG2-CG 4.42Å
177Q86.5Confident84.4Confident1 Ų127.8 Ų27.81%0.00514%0.144CC..Hα-helixtrans-63.8-35.2177.1-71.9179.697.700112L173 G174 I179 E180 Y181 V253 P254L173-Q177 WeakPolarHBondContact O-CG 3.33Å; L173-Q177 PolarHBondContact O-N 2.93Å; L173-Q177 PolarHBondContact O-NE2 3.17Å; G174-Q177 PolarHBondContact O-N 2.92Å; Q177-I179 VanDerWaalsContact C-N 3.32Å; Q177-I179 PolarHBondContact O-N 3.18Å; Q177-E180 WeakPolarHBondContact O-CB 3.26Å; Q177-E180 PolarHBondContact O-N 2.82Å; Q177-Y181 VanDerWaalsContact O-CD2 3.32Å; Q177-Y181 WeakPolarHBondContact O-CD2 3.41Å; Q177-Y181 PolarHBondContact O-N 2.66Å; Q177-V253 HydrophobicContact CB-CG2 4.24Å; Q177-P254 PolarHBondContact NE2-O 3.48Å
178T84.6Confident84.5Confident9 Ų926.8 Ų26.86%0.05514%0.142CC..Hα-helixtrans-57.5-47.5173.8-56.20000111I166 K169 G174 K175 I176 A182I166-T178 WeakPolarHBondContact CB-OG1 3.15Å; K169-T178 HydrophobicContact CD-CG2 4.23Å; G174-T178 PolarHBondContact O-N 3.35Å; G174-T178 PolarHBondContact O-OG1 2.96Å; K175-T178 WeakPolarHBondContact O-CB 3.3Å; K175-T178 PolarHBondContact O-N 3.29Å; I176-T178 VanDerWaalsContact C-N 3.29Å; I176-T178 PolarHBondContact O-N 3.41Å; T178-A182 WeakPolarHBondContact O-CB 3.29Å; T178-A182 PolarHBondContact O-N 3.36Å
179I83Confident84.8Confident7 Ų727.1 Ų27.14%0.03614%0.143CC..Hα-helixtrans-64-44.5177.5-61.5159.6000110K175 I176 Q177 Y181 A182 S183 F348 F368 V369K175-I179 WeakPolarHBondContact O-CG1 3.45Å; K175-I179 PolarHBondContact O-N 3.48Å; K175-I179 VanDerWaalsContact O-N 3.15Å; I176-I179 PolarHBondContact O-N 3.3Å; Q177-I179 VanDerWaalsContact C-N 3.32Å; Q177-I179 PolarHBondContact O-N 3.18Å; I179-Y181 PolarHBondContact O-N 3.44Å; I179-A182 PolarHBondContact O-N 3.26Å; I179-S183 VanDerWaalsContact O-CB 3.23Å; I179-S183 WeakPolarHBondContact O-CB 3.31Å; I179-S183 PolarHBondContact O-N 3.26Å; I179-S183 PolarHBondContact O-OG 3.47Å; I179-F348 HydrophobicContact CG2-CD1 3.95Å; I179-F348 HydrophobicContact CG2-CE1 3.99Å; I179-F368 HydrophobicContact CD1-CB 3.84Å; I179-F368 HydrophobicContact CD1-CD2 4.34Å; I179-F368 HydrophobicContact CD1-CG 4.46Å; I179-V369 HydrophobicContact CG2-CG2 4.1Å
180E84.1Confident85.5Confident5 Ų524.1 Ų24.12%0.02313%0.13CC..Hα-helixtrans-57.5-49.7179-174.5-173.6164.600112.7I176 Q177 S183 L184 I185 R264 Y372 Y376I176-E180 PolarHBondContact O-N 2.88Å; Q177-E180 WeakPolarHBondContact O-CB 3.26Å; Q177-E180 PolarHBondContact O-N 2.82Å; E180-S183 PolarHBondContact O-N 2.87Å; E180-L184 HydrophobicContact CG-CB 4.47Å; E180-L184 HydrophobicContact CG-CD1 4.2Å; E180-L184 PolarHBondContact O-N 2.81Å; E180-I185 PolarHBondContact O-N 2.92Å; E180-R264 IonicContact OE1-CZ 2.67Å; E180-R264 VanDerWaalsContact OE1-CZ 3.23Å; E180-R264 IonicContact OE1-NH1 3.72Å; E180-R264 PolarHBondContact OE1-NH1 3.27Å; E180-R264 IonicContact OE1-NH2 2.92Å; E180-R264 PolarHBondContact OE1-NH2 3.2Å; E180-R264 IonicContact OE2-CZ 3.27Å; E180-R264 IonicContact OE2-NH1 2.61Å; E180-R264 IonicContact OE2-NH2 2.95Å; E180-R264 PolarHBondContact OE2-NH2 3.37Å; E180-Y372 HydrophobicContact CB-CE1 4.18Å; E180-Y372 VanDerWaalsContact CB-OH 3.31Å; E180-Y372 WeakPolarHBondContact CB-OH 3.36Å; E180-Y372 HydrophobicContact CG-CE1 4.24Å; E180-Y372 WeakPolarHBondContact CG-OH 3.3Å; E180-Y372 PolarHBondContact OE2-OH 3.47Å; E180-Y376 WeakPolarHBondContact OE1-CE2 3.41Å
181Y84.6Confident86.3Confident18 Ų1820.5 Ų20.57%0.07111%0.105CC..Iπ-helixtrans-63.6-45.7178.9-90.2-101.4000111.4P164 I166 Q177 I179 S183 I185 G186 M251 V253 W267P164-Y181 HydrophobicContact CB-CE1 4.47Å; I166-Y181 HydrophobicContact CD1-CD2 3.85Å; I166-Y181 HydrophobicContact CD1-CE2 4.01Å; I166-Y181 HydrophobicContact CD1-CG 4.15Å; I166-Y181 HydrophobicContact CG1-CD2 4.46Å; Q177-Y181 VanDerWaalsContact O-CD2 3.32Å; Q177-Y181 WeakPolarHBondContact O-CD2 3.41Å; Q177-Y181 PolarHBondContact O-N 2.66Å; I179-Y181 PolarHBondContact O-N 3.44Å; Y181-S183 VanDerWaalsContact C-N 3.26Å; Y181-S183 PolarHBondContact O-N 3.01Å; Y181-I185 HydrophobicContact CD1-CD1 3.65Å; Y181-I185 HydrophobicContact CD2-CD1 3.87Å; Y181-I185 HydrophobicContact CE1-CD1 3.69Å; Y181-I185 HydrophobicContact CE2-CD1 3.94Å; Y181-I185 HydrophobicContact CG-CD1 3.75Å; Y181-G186 PolarHBondContact O-N 2.86Å; Y181-M251 HydrophobicContact CE1-SD 4.1Å; Y181-V253 HydrophobicContact CE2-CG1 4.44Å; Y181-W267 VanDerWaalsContact OH-CH2 3.28Å; Y181-W267 WeakPolarHBondContact OH-CH2 3.44Å
182A79.7Confident86.9Confident6 Ų619.6 Ų19.65%0.0510%0.098CC..Iπ-helixtrans-60.6-34.9176.700000113T178 I179 L352 D355T178-A182 WeakPolarHBondContact O-CB 3.29Å; T178-A182 PolarHBondContact O-N 3.36Å; I179-A182 PolarHBondContact O-N 3.26Å; A182-L352 HydrophobicContact CB-CD2 4.25Å; A182-D355 WeakPolarHBondContact CA-OD2 3.49Å; A182-D355 HydrophobicContact CB-CB 4.3Å; A182-D355 WeakPolarHBondContact CB-OD2 3.38Å
183S81.3Confident87.4Confident1 Ų114.7 Ų14.71%0.0077%0.073CC..Iπ-helixtrans-101.1-69.6-171.860.40000113.6I179 E180 Y181 C187 F348 A351I179-S183 VanDerWaalsContact O-CB 3.23Å; I179-S183 WeakPolarHBondContact O-CB 3.31Å; I179-S183 PolarHBondContact O-N 3.26Å; I179-S183 PolarHBondContact O-OG 3.47Å; E180-S183 PolarHBondContact O-N 2.87Å; Y181-S183 VanDerWaalsContact C-N 3.26Å; Y181-S183 PolarHBondContact O-N 3.01Å; S183-C187 WeakPolarHBondContact O-CB 3.45Å; S183-C187 PolarHBondContact O-N 3.34Å; S183-C187 VanDerWaalsContact O-N 3.13Å; S183-C187 PolarHBondContact O-SG 3.32Å; S183-C187 VanDerWaalsContact O-SG 3.35Å; S183-F348 WeakPolarHBondContact OG-CD1 3.31Å; S183-F348 WeakPolarHBondContact OG-CE1 3.02Å; S183-A351 VanDerWaalsContact CA-CB 3.47Å
184L83.3Confident87.8Confident8 Ų816 Ų164%0.0428%0.08CC..Iπ-helixtrans-69.7-55.5-172-66.5-176.8000111.2E180 G186 C187 I188 Q347 F348 Y372 Y376E180-L184 HydrophobicContact CG-CB 4.47Å; E180-L184 HydrophobicContact CG-CD1 4.2Å; E180-L184 PolarHBondContact O-N 2.81Å; L184-G186 PolarHBondContact O-N 2.91Å; L184-C187 PolarHBondContact O-N 3.33Å; L184-I188 WeakPolarHBondContact O-CB 3.41Å; L184-I188 WeakPolarHBondContact O-CD1 3.41Å; L184-I188 WeakPolarHBondContact O-CG1 3.4Å; L184-I188 PolarHBondContact O-N 3.43Å; L184-Q347 VanDerWaalsContact CD2-NE2 3.28Å; L184-F348 HydrophobicContact CD1-CZ 4.01Å; L184-F348 HydrophobicContact CD2-CE2 3.87Å; L184-F348 HydrophobicContact CD2-CZ 3.84Å; L184-F348 HydrophobicContact CG-CE1 4.36Å; L184-F348 HydrophobicContact CG-CE2 4.31Å; L184-F348 HydrophobicContact CG-CZ 3.76Å; L184-Y372 HydrophobicContact CD1-CE1 4.16Å; L184-Y376 HydrophobicContact CD1-CD1 4.01Å; L184-Y376 HydrophobicContact CD1-CD2 4.3Å; L184-Y376 HydrophobicContact CD1-CE1 3.66Å; L184-Y376 HydrophobicContact CD1-CE2 3.99Å; L184-Y376 HydrophobicContact CD1-CG 4.3Å
185I88.2Confident88.2Confident42 Ų4217.3 Ų17.322%0.2159%0.091CC..Iπ-helixtrans-64.4-45.9-173.5-62.2177.7000110.4E180 Y181 I188 K189E180-I185 PolarHBondContact O-N 2.92Å; Y181-I185 HydrophobicContact CD1-CD1 3.65Å; Y181-I185 HydrophobicContact CD2-CD1 3.87Å; Y181-I185 HydrophobicContact CE1-CD1 3.69Å; Y181-I185 HydrophobicContact CE2-CD1 3.94Å; Y181-I185 HydrophobicContact CG-CD1 3.75Å; I185-I188 PolarHBondContact O-N 3.18Å; I185-K189 HydrophobicContact CG2-CD 4.32Å; I185-K189 HydrophobicContact CG2-CG 4.5Å; I185-K189 WeakPolarHBondContact O-CB 3.19Å; I185-K189 WeakPolarHBondContact O-CG 3.31Å; I185-K189 PolarHBondContact O-N 2.68Å
186G89.3Confident88.6Confident1 Ų115.3 Ų15.31%0.019%0.094CC..Hα-helixtrans-58.2-48.5175.400000113Y181 L184 K189 R190Y181-G186 PolarHBondContact O-N 2.86Å; L184-G186 PolarHBondContact O-N 2.91Å; G186-K189 PolarHBondContact O-N 2.92Å; G186-R190 WeakPolarHBondContact O-CB 3.47Å; G186-R190 VanDerWaalsContact O-CG 3.23Å; G186-R190 WeakPolarHBondContact O-CG 3.34Å; G186-R190 PolarHBondContact O-N 3.16Å
187C90.9Very high89.1Confident1 Ų113.7 Ų13.71%0.0079%0.086CC..Hα-helixtrans-63.3-41.9178.5-82.30000113.2S22 S183 L184 S191 A351S22-C187 VanDerWaalsContact CB-SG 3.54Å; S22-C187 PolarHBondContact OG-SG 3.32Å; S183-C187 WeakPolarHBondContact O-CB 3.45Å; S183-C187 PolarHBondContact O-N 3.34Å; S183-C187 VanDerWaalsContact O-N 3.13Å; S183-C187 PolarHBondContact O-SG 3.32Å; S183-C187 VanDerWaalsContact O-SG 3.35Å; L184-C187 PolarHBondContact O-N 3.33Å; C187-S191 WeakPolarHBondContact O-CB 3.35Å; C187-S191 PolarHBondContact O-N 3.4Å; C187-S191 PolarHBondContact O-OG 3.29Å; C187-A351 WeakPolarHBondContact SG-CB 3.31Å
188I93Very high89.6Confident34 Ų3413.7 Ų13.717%0.1749%0.086CC..Hα-helixtrans-61.7-51.8178.1-69.4165.6000109.5W18 L184 I185 R190 S191 Q192W18-I188 HydrophobicContact CD2-CG1 3.84Å; W18-I188 HydrophobicContact CE3-CG1 4.28Å; W18-I188 HydrophobicContact CG-CG1 4.2Å; W18-I188 HydrophobicContact CH2-CD1 4.23Å; W18-I188 HydrophobicContact CH2-CG1 4.41Å; W18-I188 HydrophobicContact CZ2-CD1 4.17Å; W18-I188 HydrophobicContact CZ2-CG1 4.01Å; W18-I188 HydrophobicContact CZ3-CD1 4.5Å; L184-I188 WeakPolarHBondContact O-CB 3.41Å; L184-I188 WeakPolarHBondContact O-CD1 3.41Å; L184-I188 WeakPolarHBondContact O-CG1 3.4Å; L184-I188 PolarHBondContact O-N 3.43Å; I185-I188 PolarHBondContact O-N 3.18Å; I188-R190 PolarHBondContact O-N 3.37Å; I188-S191 PolarHBondContact O-N 3.14Å; I188-Q192 HydrophobicContact CG2-CG 4.17Å; I188-Q192 VanDerWaalsContact O-CB 3.29Å; I188-Q192 WeakPolarHBondContact O-CB 3.38Å; I188-Q192 VanDerWaalsContact O-CG 3.29Å; I188-Q192 WeakPolarHBondContact O-CG 3.31Å; I188-Q192 PolarHBondContact O-N 2.93Å
189K94.6Very high90.1Very high14 Ų1415 Ų156%0.0619%0.092CC..Hα-helixtrans-60.9-40.7-178.9-75.6-170.5174.3-170.20112.9T161 I185 G186 T193 V198 Y243T161-K189 HydrophobicContact CG2-CD 4.45Å; T161-K189 PolarHBondContact OG1-NZ 3.38Å; I185-K189 HydrophobicContact CG2-CD 4.32Å; I185-K189 HydrophobicContact CG2-CG 4.5Å; I185-K189 WeakPolarHBondContact O-CB 3.19Å; I185-K189 WeakPolarHBondContact O-CG 3.31Å; I185-K189 PolarHBondContact O-N 2.68Å; G186-K189 PolarHBondContact O-N 2.92Å; K189-T193 VanDerWaalsContact O-CB 3.27Å; K189-T193 WeakPolarHBondContact O-CB 3.41Å; K189-T193 PolarHBondContact O-N 3.4Å; K189-T193 PolarHBondContact O-OG1 2.8Å; K189-V198 HydrophobicContact CG-CG1 4.43Å; K189-Y243 HydrophobicContact CB-CD1 3.84Å; K189-Y243 HydrophobicContact CB-CD2 4.17Å; K189-Y243 HydrophobicContact CB-CE1 4.22Å; K189-Y243 HydrophobicContact CB-CG 3.79Å; K189-Y243 HydrophobicContact CD-CD2 3.63Å; K189-Y243 HydrophobicContact CD-CE2 3.87Å; K189-Y243 HydrophobicContact CD-CG 4.1Å
190R94.3Very high90.7Very high0 Ų016.3 Ų16.30%010%0.101CC..Hα-helixtrans-59.8-50.2174.9-73.8174.9176.296.26111.8S22 F25 E30 G186 I188 T193 L194 Y243S22-R190 WeakPolarHBondContact OG-CD 3.42Å; F25-R190 HydrophobicContact CB-CB 3.89Å; F25-R190 HydrophobicContact CB-CG 4.32Å; F25-R190 HydrophobicContact CD1-CB 4.02Å; F25-R190 HydrophobicContact CD1-CG 3.56Å; F25-R190 HydrophobicContact CD2-CB 4.27Å; F25-R190 HydrophobicContact CE1-CG 3.93Å; F25-R190 HydrophobicContact CG-CB 3.81Å; F25-R190 HydrophobicContact CG-CG 3.9Å; E30-R190 IonicContact OE1-CZ 3.93Å; E30-R190 IonicContact OE1-NE 3.41Å; E30-R190 PolarHBondContact OE1-NE 2.83Å; E30-R190 IonicContact OE1-NH2 3Å; E30-R190 PolarHBondContact OE1-NH2 3.08Å; E30-R190 IonicContact OE2-NE 3.19Å; E30-R190 IonicContact OE2-NH2 2.77Å; G186-R190 WeakPolarHBondContact O-CB 3.47Å; G186-R190 VanDerWaalsContact O-CG 3.23Å; G186-R190 WeakPolarHBondContact O-CG 3.34Å; G186-R190 PolarHBondContact O-N 3.16Å; I188-R190 PolarHBondContact O-N 3.37Å; R190-T193 PolarHBondContact O-N 3.24Å; R190-L194 PolarHBondContact O-N 2.76Å; R190-L194 VanDerWaalsContact O-N 3.14Å; R190-Y243 HydrophobicContact CG-CD1 4.12Å; R190-Y243 HydrophobicContact CG-CE1 3.9Å
191S94.8Very high91.3Very high2 Ų216.2 Ų16.21%0.01410%0.101CC..Hα-helixtrans-64.9-44.6-178.2-54.60000111.7W18 G21 S22 C187 I188 T193 L194 A195W18-S191 WeakPolarHBondContact CA-OG 3.35Å; W18-S191 PolarHBondContact O-OG 3.29Å; W18-S191 VanDerWaalsContact O-OG 3.08Å; G21-S191 WeakPolarHBondContact CA-OG 3.48Å; S22-S191 PolarHBondContact N-OG 2.98Å; C187-S191 WeakPolarHBondContact O-CB 3.35Å; C187-S191 PolarHBondContact O-N 3.4Å; C187-S191 PolarHBondContact O-OG 3.29Å; I188-S191 PolarHBondContact O-N 3.14Å; S191-T193 PolarHBondContact O-N 3.34Å; S191-L194 WeakPolarHBondContact O-CB 3.44Å; S191-L194 PolarHBondContact O-N 3.05Å; S191-A195 PolarHBondContact O-N 3.45Å
192Q95.2Very high91.8Very high8 Ų816.1 Ų16.14%0.03710%0.102CC..Hα-helixtrans-63.1-40.8175.9-76.1-175.6-5.800112.2I188 L194 A195 G196 A197 V198 L293I188-Q192 HydrophobicContact CG2-CG 4.17Å; I188-Q192 VanDerWaalsContact O-CB 3.29Å; I188-Q192 WeakPolarHBondContact O-CB 3.38Å; I188-Q192 VanDerWaalsContact O-CG 3.29Å; I188-Q192 WeakPolarHBondContact O-CG 3.31Å; I188-Q192 PolarHBondContact O-N 2.93Å; Q192-L194 VanDerWaalsContact C-N 3.26Å; Q192-L194 PolarHBondContact O-N 2.86Å; Q192-A195 WeakPolarHBondContact O-CB 3.28Å; Q192-A195 PolarHBondContact O-N 3.09Å; Q192-A195 VanDerWaalsContact O-N 3.09Å; Q192-G196 PolarHBondContact O-N 2.95Å; Q192-A197 CarbonylContact C-O 3.56Å; Q192-A197 VanDerWaalsContact C-O 3.22Å; Q192-A197 VanDerWaalsContact CB-O 3.29Å; Q192-A197 WeakPolarHBondContact CB-O 3.17Å; Q192-A197 PolarHBondContact O-N 3.41Å; Q192-V198 HydrophobicContact CB-CG2 4.46Å; Q192-L293 HydrophobicContact CG-CD2 3.89Å
193T93.6Very high92.3Very high10 Ų1016.3 Ų16.36%0.06111%0.105CC..Hα-helixtrans-60.4-35.8175-61.10000112.1F25 K189 R190 S191 G196 V198 Y243F25-T193 HydrophobicContact CE2-CG2 3.85Å; K189-T193 VanDerWaalsContact O-CB 3.27Å; K189-T193 WeakPolarHBondContact O-CB 3.41Å; K189-T193 PolarHBondContact O-N 3.4Å; K189-T193 PolarHBondContact O-OG1 2.8Å; R190-T193 PolarHBondContact O-N 3.24Å; S191-T193 PolarHBondContact O-N 3.34Å; T193-G196 PolarHBondContact O-N 3.24Å; T193-V198 WeakPolarHBondContact OG1-CG2 3.39Å; T193-Y243 WeakPolarHBondContact OG1-CB 3.47Å
194L92.4Very high93Very high49 Ų4916.8 Ų16.826%0.25711%0.108SC..Hα-helixtrans-70.6-39.6173.1-66.9171.6000112.7G21 Y24 F25 R190 S191 Q192 G196G21-L194 WeakPolarHBondContact O-CD1 3.15Å; Y24-L194 HydrophobicContact CD1-CD1 3.59Å; Y24-L194 HydrophobicContact CD1-CD2 3.79Å; Y24-L194 HydrophobicContact CD1-CG 4.3Å; Y24-L194 HydrophobicContact CE1-CD2 4.06Å; Y24-L194 HydrophobicContact CG-CD1 4.32Å; F25-L194 HydrophobicContact CB-CD1 3.84Å; F25-L194 HydrophobicContact CB-CD2 4.36Å; F25-L194 HydrophobicContact CB-CG 4.11Å; F25-L194 HydrophobicContact CD2-CD2 3.98Å; F25-L194 HydrophobicContact CD2-CG 3.97Å; R190-L194 PolarHBondContact O-N 2.76Å; R190-L194 VanDerWaalsContact O-N 3.14Å; S191-L194 WeakPolarHBondContact O-CB 3.44Å; S191-L194 PolarHBondContact O-N 3.05Å; Q192-L194 VanDerWaalsContact C-N 3.26Å; Q192-L194 PolarHBondContact O-N 2.86Å; L194-G196 PolarHBondContact O-N 2.82Å
195A91.7Very high93.7Very high28 Ų2816.4 Ų16.423%0.23111%0.106CC..Hα-helixtrans-63.7-21.7175.400000112.2Y17 S191 Q192 P289Y17-A195 WeakPolarHBondContact OH-CB 3.29Å; S191-A195 PolarHBondContact O-N 3.45Å; Q192-A195 WeakPolarHBondContact O-CB 3.28Å; Q192-A195 PolarHBondContact O-N 3.09Å; Q192-A195 VanDerWaalsContact O-N 3.09Å; A195-P289 VanDerWaalsContact O-CB 3.27Å; A195-P289 WeakPolarHBondContact O-CB 3.17Å; A195-P289 WeakPolarHBondContact O-CG 3.08Å
196G92Very high94.2Very high41 Ų4114.5 Ų14.542%0.42310%0.096SC..THydrogen-bonded Turntrans104.75.6171.700000114.9Q192 T193 L194Q192-G196 PolarHBondContact O-N 2.95Å; T193-G196 PolarHBondContact O-N 3.24Å; L194-G196 PolarHBondContact O-N 2.82Å
197A95Very high94.6Very high2 Ų214.5 Ų14.52%0.01710%0.096CC..  trans-150.5143.6174.200000109.8Q192 P289 L290 L293Q192-A197 CarbonylContact C-O 3.56Å; Q192-A197 VanDerWaalsContact C-O 3.22Å; Q192-A197 VanDerWaalsContact CB-O 3.29Å; Q192-A197 WeakPolarHBondContact CB-O 3.17Å; Q192-A197 PolarHBondContact O-N 3.41Å; A197-P289 HydrophobicContact CB-CB 3.82Å; A197-L290 HydrophobicContact CB-CD2 3.66Å; A197-L293 HydrophobicContact CB-CD1 3.53Å; A197-L293 HydrophobicContact CB-CG 4.36Å
198V96.2Very high95Very high1 Ų114.6 Ų14.61%0.00610%0.096CC..  trans-111.6130.8178.7-1790000108.2K189 Q192 T193 T200 H235 I241K189-V198 HydrophobicContact CG-CG1 4.43Å; Q192-V198 HydrophobicContact CB-CG2 4.46Å; T193-V198 WeakPolarHBondContact OG1-CG2 3.39Å; V198-T200 VanDerWaalsContact C-N 3.27Å; V198-T200 WeakPolarHBondContact CG1-O 3.47Å; V198-T200 PolarHBondContact O-N 2.93Å; V198-H235 PolarHBondContact N-NE2 3.43Å; V198-H235 VanDerWaalsContact N-NE2 3.13Å; V198-H235 PolarHBondContact O-NE2 2.91Å; V198-H235 VanDerWaalsContact O-NE2 3.16Å; V198-I241 HydrophobicContact CB-CG2 4.27Å
199N95.2Very high95.3Very high36 Ų3615.7 Ų15.719%0.19310%0.1CC..SBendtrans-61.5-37.9-174.7-173.552000112.7W232 L293N199-W232 PolarHBondContact O-NE1 2.9Å; N199-W232 PolarHBondContact OD1-NE1 3.22Å; N199-L293 HydrophobicContact CB-CD2 4.2Å
200T96.4Very high95.5Very high36 Ų3617.3 Ų17.322%0.22111%0.107CC..  trans-151.7138.3176-170.40000111.5V198 I228V198-T200 VanDerWaalsContact C-N 3.27Å; V198-T200 WeakPolarHBondContact CG1-O 3.47Å; V198-T200 PolarHBondContact O-N 2.93Å; T200-I228 WeakPolarHBondContact OG1-CG1 3.48Å; T200-I228 PolarHBondContact OG1-N 3.02Å
201I96.7Very high95.6Very high3 Ų320.1 Ų20.12%0.01513%0.126CC..  trans-62.9162.6157.466.3-177.4000110A159 T206 F208 D227 V230 S231 I241A159-I201 HydrophobicContact CB-CG2 4.35Å; I201-T206 HydrophobicContact CB-CG2 4.08Å; I201-T206 HydrophobicContact CD1-CG2 3.97Å; I201-T206 HydrophobicContact CG2-CG2 4.06Å; I201-F208 HydrophobicContact CD1-CE1 3.72Å; I201-F208 HydrophobicContact CD1-CE2 4.16Å; I201-F208 HydrophobicContact CD1-CZ 3.18Å; I201-D227 HydrophobicContact CD1-CB 4.14Å; I201-D227 HydrophobicContact CG1-CB 3.75Å; I201-V230 HydrophobicContact CD1-CG1 3.63Å; I201-S231 WeakPolarHBondContact CG1-OG 3.42Å; I201-S231 PolarHBondContact N-OG 3.13Å; I201-I241 HydrophobicContact CG2-CD1 4.11Å; I201-I241 HydrophobicContact CG2-CG2 3.61Å
202S93.4Very high95.8Very high15 Ų1520 Ų2011%0.10513%0.126CC..  trans-81.2117.4163.7177.90000109.2T161 P164 V204 F205 T206T161-S202 WeakPolarHBondContact OG1-CB 3.49Å; T161-S202 PolarHBondContact OG1-N 3.25Å; P164-S202 WeakPolarHBondContact CG-OG 3.38Å; S202-V204 PolarHBondContact O-N 3.47Å; S202-V204 PolarHBondContact OG-N 3.37Å; S202-F205 PolarHBondContact O-N 2.9Å; S202-T206 PolarHBondContact O-OG1 3.32Å
203G91.9Very high96Very high10 Ų1019.7 Ų19.710%0.10312%0.124CC..THydrogen-bonded Turntrans-58.8-14.9173.800000115K114 D227K114-G203 PolarHBondContact NZ-O 3.47Å; G203-D227 PolarHBondContact N-OD2 3.48Å; G203-D227 VanDerWaalsContact N-OD2 3.09Å
204V95.4Very high96.2Very high12 Ų1222.2 Ų22.27%0.07314%0.139CC..THydrogen-bonded Turntrans-83.9-34.7-175.3-174.40000112.2L133 D134 T137 S202 M251L133-V204 WeakPolarHBondContact CA-O 3.49Å; D134-V204 HydrophobicContact CB-CG1 4.3Å; D134-V204 PolarHBondContact N-O 3.4Å; D134-V204 WeakPolarHBondContact OD2-CG2 3.36Å; T137-V204 HydrophobicContact CG2-CG1 4.05Å; T137-V204 WeakPolarHBondContact OG1-CG1 3.29Å; S202-V204 PolarHBondContact O-N 3.47Å; S202-V204 PolarHBondContact OG-N 3.37Å; V204-M251 HydrophobicContact CB-SD 4.42Å; V204-M251 HydrophobicContact CG1-CB 3.77Å; V204-M251 HydrophobicContact CG1-CE 4.49Å; V204-M251 HydrophobicContact CG1-CG 4.48Å; V204-M251 HydrophobicContact CG1-SD 4.14Å; V204-M251 HydrophobicContact CG2-CE 3.69Å; V204-M251 HydrophobicContact CG2-SD 3.83Å
205F97.6Very high96.5Very high0 Ų023 Ų230%014%0.144CC..EExtended strand (participates in β ladder)trans-155.299.3-176.5-177-138.9000111.7M131 L133 V139 A143 M147 G162 S202 A247 C249M131-F205 HydrophobicContact CE-CE2 4.1Å; M131-F205 HydrophobicContact CG-CD2 4.34Å; M131-F205 HydrophobicContact CG-CE2 4.08Å; M131-F205 HydrophobicContact SD-CD2 4.32Å; M131-F205 HydrophobicContact SD-CE2 3.5Å; M131-F205 VanDerWaalsContact SD-CE2 3.5Å; M131-F205 HydrophobicContact SD-CZ 4.36Å; L133-F205 HydrophobicContact CD2-CB 4.45Å; L133-F205 HydrophobicContact CD2-CD2 3.38Å; L133-F205 HydrophobicContact CD2-CE2 3.97Å; L133-F205 HydrophobicContact CD2-CG 4.31Å; V139-F205 HydrophobicContact CG1-CE2 3.86Å; V139-F205 HydrophobicContact CG1-CZ 3.8Å; V139-F205 HydrophobicContact CG2-CE2 4.26Å; A143-F205 HydrophobicContact CB-CE1 3.88Å; A143-F205 HydrophobicContact CB-CZ 3.72Å; M147-F205 HydrophobicContact CE-CE1 4.47Å; M147-F205 HydrophobicContact CE-CZ 4.47Å; M147-F205 HydrophobicContact CG-CZ 4.29Å; G162-F205 PolarHBondContact N-O 3.5Å; S202-F205 PolarHBondContact O-N 2.9Å; F205-A247 HydrophobicContact CE1-CB 3.93Å; F205-A247 WeakPolarHBondContact CE1-O 3.39Å; F205-C249 HydrophobicContact CB-CB 4.25Å; F205-C249 WeakPolarHBondContact CB-SG 3.4Å; F205-C249 HydrophobicContact CD1-CB 3.8Å; F205-C249 HydrophobicContact CE1-CB 4.32Å; F205-C249 HydrophobicContact CG-CB 4.07Å
206T98.5Very high96.8Very high2 Ų222.5 Ų22.51%0.01214%0.138CC..EExtended strand (participates in β ladder)trans-146136.6179.8-65.80000111.1M131 C132 A159 V160 T161 I201 S202 F208M131-T206 CarbonylContact C-O 3.55Å; M131-T206 WeakPolarHBondContact CA-O 3.41Å; C132-T206 PolarHBondContact N-O 2.93Å; C132-T206 PolarHBondContact O-N 3.28Å; A159-T206 HydrophobicContact CB-CG2 4.1Å; V160-T206 WeakPolarHBondContact O-CA 3.4Å; V160-T206 VanDerWaalsContact O-CG2 3.31Å; V160-T206 WeakPolarHBondContact O-CG2 3.23Å; T161-T206 PolarHBondContact OG1-OG1 3.42Å; I201-T206 HydrophobicContact CB-CG2 4.08Å; I201-T206 HydrophobicContact CD1-CG2 3.97Å; I201-T206 HydrophobicContact CG2-CG2 4.06Å; S202-T206 PolarHBondContact O-OG1 3.32Å; T206-F208 HydrophobicContact CG2-CD1 4.46Å; T206-F208 HydrophobicContact CG2-CD2 3.86Å; T206-F208 HydrophobicContact CG2-CE1 4.12Å; T206-F208 HydrophobicContact CG2-CE2 3.46Å; T206-F208 VanDerWaalsContact CG2-CE2 3.46Å; T206-F208 HydrophobicContact CG2-CG 4.36Å; T206-F208 HydrophobicContact CG2-CZ 3.66Å
207L98.6Very high97.1Very high0 Ų022.7 Ų22.70%014%0.139CC..EExtended strand (participates in β ladder)trans-98.6127.8171.1-177.860.8000109.5I49 M131 M147 I148 F151 A159 V160I49-L207 HydrophobicContact CD1-CD1 4.37Å; I49-L207 HydrophobicContact CD1-CD2 4.34Å; I49-L207 HydrophobicContact CG1-CD1 4.43Å; I49-L207 HydrophobicContact CG2-CD1 4.04Å; M131-L207 HydrophobicContact CB-CD1 4.02Å; M131-L207 HydrophobicContact CE-CB 4.19Å; M131-L207 HydrophobicContact CE-CD1 4.09Å; M131-L207 HydrophobicContact CE-CD2 4.44Å; M131-L207 HydrophobicContact CE-CG 4.48Å; M147-L207 HydrophobicContact CB-CB 4.07Å; M147-L207 HydrophobicContact CB-CD2 3.67Å; M147-L207 HydrophobicContact CE-CB 3.83Å; I148-L207 HydrophobicContact CB-CD2 4.22Å; I148-L207 HydrophobicContact CD1-CD2 4Å; F151-L207 HydrophobicContact CD2-CD2 4.03Å; F151-L207 HydrophobicContact CE2-CB 4.32Å; F151-L207 HydrophobicContact CE2-CD2 3.68Å; F151-L207 HydrophobicContact CE2-CG 3.76Å; F151-L207 HydrophobicContact CZ-CG 4.46Å; A159-L207 CarbonylContact C-O 3.5Å; A159-L207 VanDerWaalsContact CA-O 3.24Å; A159-L207 WeakPolarHBondContact CA-O 3.48Å; V160-L207 PolarHBondContact N-O 3.13Å; V160-L207 PolarHBondContact O-N 2.89Å
208F98.7Very high97.2Very high3 Ų326 Ų261%0.01315%0.152CC..EExtended strand (participates in β ladder)trans-114.2148.1178.3-65.7-93.3000111.2Y129 V130 C132 G158 A159 I201 T206 K210 V213 W219 V230 L234Y129-F208 CarbonylContact C-O 3.59Å; Y129-F208 WeakPolarHBondContact CA-O 3.43Å; V130-F208 PolarHBondContact N-O 3.46Å; V130-F208 PolarHBondContact O-N 3.34Å; C132-F208 HydrophobicContact CB-CE2 4.11Å; G158-F208 WeakPolarHBondContact O-CA 3.43Å; A159-F208 HydrophobicContact CB-CD1 3.65Å; A159-F208 HydrophobicContact CB-CE1 3.93Å; A159-F208 HydrophobicContact CB-CG 4.36Å; I201-F208 HydrophobicContact CD1-CE1 3.72Å; I201-F208 HydrophobicContact CD1-CE2 4.16Å; I201-F208 HydrophobicContact CD1-CZ 3.18Å; T206-F208 HydrophobicContact CG2-CD1 4.46Å; T206-F208 HydrophobicContact CG2-CD2 3.86Å; T206-F208 HydrophobicContact CG2-CE1 4.12Å; T206-F208 HydrophobicContact CG2-CE2 3.46Å; T206-F208 VanDerWaalsContact CG2-CE2 3.46Å; T206-F208 HydrophobicContact CG2-CG 4.36Å; T206-F208 HydrophobicContact CG2-CZ 3.66Å; F208-K210 PolarHBondContact O-N 3.29Å; F208-V213 HydrophobicContact CB-CG2 3.63Å; F208-V213 HydrophobicContact CD1-CG2 3.62Å; F208-V213 HydrophobicContact CE1-CG2 4.41Å; F208-V213 HydrophobicContact CG-CG2 3.8Å; F208-W219 HydrophobicContact CD2-CZ2 4.17Å; F208-W219 AromaticContact CE2-CZ2 3.86Å; F208-W219 HydrophobicContact CE2-CZ2 3.86Å; F208-W219 HydrophobicContact CZ-CZ2 4.02Å; F208-V230 HydrophobicContact CE1-CG1 4.09Å; F208-V230 HydrophobicContact CE1-CG2 4.41Å; F208-V230 HydrophobicContact CZ-CG1 4.16Å; F208-L234 HydrophobicContact CD1-CD1 4.2Å; F208-L234 HydrophobicContact CE1-CD1 4.07Å
209K98.3Very high97.3Very high57 Ų5726.2 Ų26.225%0.24815%0.153CC..EExtended strand (participates in β ladder)trans-76.7118.4157.9-167.6175.4-173167.70108.1Y129 F151 G158 S211 A212 V213Y129-K209 HydrophobicContact CE1-CG 4.43Å; F151-K209 HydrophobicContact CD1-CB 4.46Å; F151-K209 HydrophobicContact CE1-CB 3.84Å; G158-K209 PolarHBondContact O-N 2.89Å; K209-S211 VanDerWaalsContact C-N 3.29Å; K209-S211 WeakPolarHBondContact CE-OG 3.18Å; K209-S211 WeakPolarHBondContact CG-OG 3.33Å; K209-S211 PolarHBondContact O-N 2.97Å; K209-A212 HydrophobicContact CB-CB 4.16Å; K209-A212 WeakPolarHBondContact O-CB 3.16Å; K209-A212 PolarHBondContact O-N 2.75Å; K209-V213 PolarHBondContact O-N 2.93Å
210K98.5Very high97.3Very high49 Ų4925.9 Ų25.921%0.21315%0.151CC..Hα-helixtrans-52.1-47-177-177177.6173.7-172.90112I122 A125 Y127 D128 V130 F208 A212 V213 V214I122-K210 HydrophobicContact CD1-CG 4.22Å; I122-K210 HydrophobicContact CG1-CG 4.14Å; A125-K210 PolarHBondContact O-NZ 3.49Å; Y127-K210 VanDerWaalsContact O-CD 3.3Å; Y127-K210 WeakPolarHBondContact O-CD 3.42Å; D128-K210 VanDerWaalsContact O-CB 3.23Å; D128-K210 WeakPolarHBondContact O-CB 3.42Å; D128-K210 PolarHBondContact O-N 3.46Å; V130-K210 HydrophobicContact CG2-CB 3.91Å; V130-K210 HydrophobicContact CG2-CD 4.4Å; V130-K210 HydrophobicContact CG2-CG 4.21Å; F208-K210 PolarHBondContact O-N 3.29Å; K210-A212 VanDerWaalsContact C-N 3.25Å; K210-A212 PolarHBondContact O-N 3.36Å; K210-V213 PolarHBondContact O-N 2.73Å; K210-V213 VanDerWaalsContact O-N 3.11Å; K210-V214 HydrophobicContact CG-CG2 4.47Å; K210-V214 WeakPolarHBondContact O-CG2 3.49Å; K210-V214 PolarHBondContact O-N 3.49Å
211S98.2Very high97.3Very high59 Ų5926.1 Ų26.141%0.41315%0.152SC..Hα-helixtrans-60.2-32.1178.349.40000113.6K209 V214 D215K209-S211 VanDerWaalsContact C-N 3.29Å; K209-S211 WeakPolarHBondContact CE-OG 3.18Å; K209-S211 WeakPolarHBondContact CG-OG 3.33Å; K209-S211 PolarHBondContact O-N 2.97Å; S211-V214 PolarHBondContact O-N 3.49Å; S211-D215 WeakPolarHBondContact O-CB 3.37Å; S211-D215 PolarHBondContact O-N 3.42Å
212A98.5Very high97.1Very high0 Ų027.8 Ų27.80%016%0.162CC..Hα-helixtrans-70.8-38.9175.800000111.8K209 K210 D215 V216 L234 Y239K209-A212 HydrophobicContact CB-CB 4.16Å; K209-A212 WeakPolarHBondContact O-CB 3.16Å; K209-A212 PolarHBondContact O-N 2.75Å; K210-A212 VanDerWaalsContact C-N 3.25Å; K210-A212 PolarHBondContact O-N 3.36Å; A212-D215 PolarHBondContact O-N 2.84Å; A212-V216 WeakPolarHBondContact O-CG2 3.36Å; A212-V216 PolarHBondContact O-N 2.84Å; A212-L234 HydrophobicContact CB-CD2 3.79Å; A212-Y239 HydrophobicContact CB-CD1 3.86Å; A212-Y239 HydrophobicContact CB-CD2 4.14Å; A212-Y239 HydrophobicContact CB-CE1 3.68Å; A212-Y239 HydrophobicContact CB-CE2 3.97Å; A212-Y239 HydrophobicContact CB-CG 4.09Å
213V98.5Very high97.1Very high0 Ų028 Ų280%016%0.161CC..Hα-helixtrans-65.7-40174.5-178.90000110.9I122 F208 K209 K210 V216 G217 Y218 W219I122-V213 HydrophobicContact CD1-CB 3.7Å; I122-V213 HydrophobicContact CD1-CG1 3.55Å; I122-V213 HydrophobicContact CD1-CG2 4.22Å; F208-V213 HydrophobicContact CB-CG2 3.63Å; F208-V213 HydrophobicContact CD1-CG2 3.62Å; F208-V213 HydrophobicContact CE1-CG2 4.41Å; F208-V213 HydrophobicContact CG-CG2 3.8Å; K209-V213 PolarHBondContact O-N 2.93Å; K210-V213 PolarHBondContact O-N 2.73Å; K210-V213 VanDerWaalsContact O-N 3.11Å; V213-V216 VanDerWaalsContact O-CG2 3.24Å; V213-V216 WeakPolarHBondContact O-CG2 3.49Å; V213-G217 PolarHBondContact O-N 2.95Å; V213-Y218 HydrophobicContact CG1-CD1 4.22Å; V213-Y218 WeakPolarHBondContact O-CA 3.29Å; V213-Y218 PolarHBondContact O-N 3.05Å; V213-W219 HydrophobicContact CG1-CD2 4.41Å; V213-W219 HydrophobicContact CG1-CE3 4.04Å; V213-W219 HydrophobicContact CG1-CH2 3.87Å; V213-W219 HydrophobicContact CG1-CZ2 4.22Å; V213-W219 HydrophobicContact CG1-CZ3 3.77Å; V213-W219 HydrophobicContact CG2-CH2 4.47Å; V213-W219 HydrophobicContact CG2-CZ2 4.48Å
214V98.3Very high97.2Very high63 Ų6328.2 Ų28.238%0.38216%0.159SC..Hα-helixtrans-66.1-45.5175.8175.80000111.5K210 S211 V216 G217 Y218K210-V214 HydrophobicContact CG-CG2 4.47Å; K210-V214 WeakPolarHBondContact O-CG2 3.49Å; K210-V214 PolarHBondContact O-N 3.49Å; S211-V214 PolarHBondContact O-N 3.49Å; V214-V216 PolarHBondContact O-N 2.67Å; V214-G217 PolarHBondContact O-N 3.35Å; V214-Y218 HydrophobicContact CB-CE1 4.47Å; V214-Y218 HydrophobicContact CG2-CE1 3.71Å
215D98.4Very high97.2Very high65 Ų6527.8 Ų27.835%0.34816%0.157SC..Hα-helixtrans-62-31.6-179.6178.850.6000112.5S211 A212 G217 R237 Y239S211-D215 WeakPolarHBondContact O-CB 3.37Å; S211-D215 PolarHBondContact O-N 3.42Å; A212-D215 PolarHBondContact O-N 2.84Å; D215-G217 VanDerWaalsContact C-N 3.27Å; D215-G217 PolarHBondContact O-N 3.3Å; D215-R237 IonicContact OD1-CZ 3.82Å; D215-R237 IonicContact OD1-NE 3.3Å; D215-R237 PolarHBondContact OD1-NE 2.85Å; D215-R237 IonicContact OD1-NH2 2.77Å; D215-R237 PolarHBondContact OD1-NH2 2.92Å; D215-R237 WeakPolarHBondContact OD2-CG 3.17Å; D215-R237 IonicContact OD2-NE 2.96Å; D215-R237 PolarHBondContact OD2-NE 3.41Å; D215-Y239 HydrophobicContact CB-CE2 4.23Å; D215-Y239 WeakPolarHBondContact CB-OH 3.31Å; D215-Y239 WeakPolarHBondContact OD2-CE2 3.21Å; D215-Y239 PolarHBondContact OD2-OH 3.36Å
216V98Very high97.1Very high19 Ų1928.5 Ų28.512%0.11516%0.16CC..THydrogen-bonded Turntrans-82.8-1173.9-58.40000113.8A212 V213 V214 V230 K233 L234 R237 Y239A212-V216 WeakPolarHBondContact O-CG2 3.36Å; A212-V216 PolarHBondContact O-N 2.84Å; V213-V216 VanDerWaalsContact O-CG2 3.24Å; V213-V216 WeakPolarHBondContact O-CG2 3.49Å; V214-V216 PolarHBondContact O-N 2.67Å; V216-V230 HydrophobicContact CG2-CG2 4.37Å; V216-K233 HydrophobicContact CB-CB 3.94Å; V216-K233 HydrophobicContact CG1-CB 4.19Å; V216-K233 HydrophobicContact CG2-CB 4.28Å; V216-K233 WeakPolarHBondContact O-CE 3.46Å; V216-K233 PolarHBondContact O-NZ 2.93Å; V216-L234 HydrophobicContact CG1-CD2 4.05Å; V216-L234 HydrophobicContact CG1-CG 4.5Å; V216-L234 HydrophobicContact CG2-CD2 4.44Å; V216-R237 HydrophobicContact CG1-CB 3.73Å; V216-R237 HydrophobicContact CG1-CG 4.03Å; V216-Y239 HydrophobicContact CG1-CD2 4.49Å; V216-Y239 HydrophobicContact CG1-CE2 4.48Å
217G97.9Very high97Very high44 Ų4429.6 Ų29.645%0.45417%0.166SC..THydrogen-bonded Turntrans73.439.5-177.700000113.2V213 V214 D215 K233V213-G217 PolarHBondContact O-N 2.95Å; V214-G217 PolarHBondContact O-N 3.35Å; D215-G217 VanDerWaalsContact C-N 3.27Å; D215-G217 PolarHBondContact O-N 3.3Å; G217-K233 PolarHBondContact O-NZ 3.34Å
218Y98Very high96.9Very high72 Ų7230.1 Ų30.128%0.28217%0.169SC..SBendtrans61.9-167173.5-45.8-85.2000115.7N119 I122 V213 V214 K233N119-Y218 WeakPolarHBondContact OD1-CB 3.48Å; I122-Y218 HydrophobicContact CG2-CD1 3.73Å; I122-Y218 HydrophobicContact CG2-CE1 3.85Å; V213-Y218 HydrophobicContact CG1-CD1 4.22Å; V213-Y218 WeakPolarHBondContact O-CA 3.29Å; V213-Y218 PolarHBondContact O-N 3.05Å; V214-Y218 HydrophobicContact CB-CE1 4.47Å; V214-Y218 HydrophobicContact CG2-CE1 3.71Å; Y218-K233 PolarHBondContact O-NZ 2.99Å
219W97.8Very high96.9Very high6 Ų630 Ų302%0.02317%0.168CC..  trans-77.6135.9177.8-66.4-90.4000110.9A115 L118 N119 I122 C132 F208 V213 T221 E226A115-W219 HydrophobicContact CB-CB 4.04Å; L118-W219 HydrophobicContact CB-CD2 3.87Å; L118-W219 HydrophobicContact CB-CE3 3.56Å; L118-W219 HydrophobicContact CB-CH2 4.22Å; L118-W219 HydrophobicContact CB-CZ2 4.5Å; L118-W219 HydrophobicContact CB-CZ3 3.74Å; L118-W219 HydrophobicContact CD1-CD2 4.04Å; L118-W219 HydrophobicContact CD1-CG 4.28Å; L118-W219 HydrophobicContact CD1-CZ2 4.28Å; N119-W219 PolarHBondContact ND2-O 2.94Å; N119-W219 VanDerWaalsContact OD1-CE3 3.3Å; N119-W219 PolarHBondContact OD1-N 2.91Å; I122-W219 HydrophobicContact CB-CH2 4.44Å; I122-W219 HydrophobicContact CB-CZ3 3.94Å; I122-W219 HydrophobicContact CD1-CH2 3.83Å; I122-W219 HydrophobicContact CD1-CZ3 3.8Å; I122-W219 HydrophobicContact CG1-CZ3 4.45Å; I122-W219 HydrophobicContact CG2-CZ3 3.9Å; C132-W219 VanDerWaalsContact SG-CZ2 3.57Å; F208-W219 HydrophobicContact CD2-CZ2 4.17Å; F208-W219 AromaticContact CE2-CZ2 3.86Å; F208-W219 HydrophobicContact CE2-CZ2 3.86Å; F208-W219 HydrophobicContact CZ-CZ2 4.02Å; V213-W219 HydrophobicContact CG1-CD2 4.41Å; V213-W219 HydrophobicContact CG1-CE3 4.04Å; V213-W219 HydrophobicContact CG1-CH2 3.87Å; V213-W219 HydrophobicContact CG1-CZ2 4.22Å; V213-W219 HydrophobicContact CG1-CZ3 3.77Å; V213-W219 HydrophobicContact CG2-CH2 4.47Å; V213-W219 HydrophobicContact CG2-CZ2 4.48Å; W219-T221 PolarHBondContact O-N 3.2Å; W219-E226 HydrophobicContact CB-CB 4.38Å
220D96.4Very high96.9Very high29 Ų2927.3 Ų27.316%0.15516%0.157CC..  trans-73.2120.4179.5-54.1-61.6000110.2A115 D222 M223 A229 K233 R277A115-D220 WeakPolarHBondContact CB-O 3.37Å; D220-D222 VanDerWaalsContact C-N 3.25Å; D220-D222 PolarHBondContact O-N 3.4Å; D220-M223 HydrophobicContact CB-CB 4.1Å; D220-M223 HydrophobicContact CB-CG 3.71Å; D220-A229 WeakPolarHBondContact OD2-CB 3.16Å; D220-K233 WeakPolarHBondContact OD1-CD 3.44Å; D220-K233 IonicContact OD1-NZ 3.43Å; D220-K233 PolarHBondContact OD1-NZ 3.11Å; D220-K233 WeakPolarHBondContact OD2-CD 3.18Å; D220-K233 IonicContact OD2-NZ 3.9Å; D220-R277 VanDerWaalsContact CG-NH1 3.27Å; D220-R277 IonicContact OD1-NH1 2.83Å; D220-R277 IonicContact OD2-CZ 3.61Å; D220-R277 IonicContact OD2-NH1 3.18Å; D220-R277 PolarHBondContact OD2-NH1 3.16Å; D220-R277 IonicContact OD2-NH2 2.77Å
221T95Very high96.9Very high40 Ų4025 Ų2525%0.24515%0.146CC..THydrogen-bonded Turntrans-77.3-11.4-177.555.50000113.5A115 N116 W219 Y399 A400A115-T221 HydrophobicContact CB-CG2 4.36Å; N116-T221 HydrophobicContact CB-CG2 4.24Å; W219-T221 PolarHBondContact O-N 3.2Å; T221-Y399 HydrophobicContact CG2-CD1 4.46Å; T221-Y399 HydrophobicContact CG2-CE1 4.34Å; T221-Y399 CarbonylContact O-C 3.22Å; T221-Y399 WeakPolarHBondContact O-CA 3.23Å; T221-A400 PolarHBondContact O-N 3.41Å
222D93.4Very high96.9Very high39 Ų3922.2 Ų22.221%0.20913%0.127CC..THydrogen-bonded Turntrans-103-6.4-178.167.3-19.1000114.8D220 R394 G397 G398D220-D222 VanDerWaalsContact C-N 3.25Å; D220-D222 PolarHBondContact O-N 3.4Å; D222-R394 PolarHBondContact O-NE 3.03Å; D222-G397 PolarHBondContact OD2-N 2.92Å; D222-G398 VanDerWaalsContact CA-O 3.22Å; D222-G398 WeakPolarHBondContact CA-O 3.25Å; D222-G398 WeakPolarHBondContact CB-O 3.23Å
223M93.8Very high96.8Very high19 Ų1923.7 Ų23.79%0.09413%0.134CC..SBendtrans-85.9135.7174.8-70.7-65.3178.100111.5D220 T225 A229 E273 R277 A400D220-M223 HydrophobicContact CB-CB 4.1Å; D220-M223 HydrophobicContact CB-CG 3.71Å; M223-T225 PolarHBondContact O-N 2.97Å; M223-A229 HydrophobicContact CB-CB 3.84Å; M223-A229 HydrophobicContact CG-CB 3.73Å; M223-E273 HydrophobicContact CE-CB 4.36Å; M223-E273 HydrophobicContact SD-CB 3.63Å; M223-E273 HydrophobicContact SD-CG 4.43Å; M223-E273 VanDerWaalsContact SD-OE2 3.39Å; M223-R277 HydrophobicContact CE-CB 3.96Å; M223-R277 HydrophobicContact CE-CG 4.14Å; M223-A400 WeakPolarHBondContact O-CB 3.42Å
224I93.3Very high96.8Very high14 Ų1423.7 Ų23.77%0.07213%0.134CC..SBendtrans-69.7-23-177.4-164.761.5000113.6R266 Q269 E273I224-R266 HydrophobicContact CD1-CG 4.44Å; I224-R266 HydrophobicContact CG1-CG 3.58Å; I224-R266 HydrophobicContact CG2-CG 4.49Å; I224-Q269 HydrophobicContact CG2-CB 4.18Å; I224-Q269 HydrophobicContact CG2-CG 3.96Å; I224-E273 PolarHBondContact N-OE2 3.02Å
225T94.9Very high96.8Very high4 Ų420.9 Ų20.93%0.02512%0.116CC..  trans-126.8104.8174.255.70000109.1M223 D227 I228 A229 R266 G270M223-T225 PolarHBondContact O-N 2.97Å; T225-D227 WeakPolarHBondContact CB-OD1 3.44Å; T225-D227 PolarHBondContact O-N 2.83Å; T225-I228 HydrophobicContact CG2-CD1 4.11Å; T225-I228 WeakPolarHBondContact OG1-CD1 3.25Å; T225-I228 WeakPolarHBondContact OG1-CG1 3.19Å; T225-A229 WeakPolarHBondContact O-CB 3.25Å; T225-A229 PolarHBondContact O-N 2.96Å; T225-R266 HydrophobicContact CG2-CG 4.26Å; T225-G270 WeakPolarHBondContact OG1-CA 2.99Å
226E95.5Very high96.8Very high14 Ų1419.7 Ų19.77%0.06511%0.11CC..Hα-helixtrans-66.6-30.3-178.376.6-69168.500112.5K114 A115 L118 W219 V230K114-E226 VanDerWaalsContact CD-OE1 3.27Å; K114-E226 WeakPolarHBondContact CD-OE1 3.22Å; K114-E226 WeakPolarHBondContact CE-OE1 3.09Å; K114-E226 IonicContact NZ-OE1 3.11Å; K114-E226 PolarHBondContact NZ-OE1 2.83Å; A115-E226 HydrophobicContact CB-CB 3.88Å; L118-E226 HydrophobicContact CD1-CG 4.12Å; W219-E226 HydrophobicContact CB-CB 4.38Å; E226-V230 WeakPolarHBondContact O-CB 3.48Å; E226-V230 VanDerWaalsContact O-CG1 3.31Å; E226-V230 WeakPolarHBondContact O-CG1 3.39Å; E226-V230 PolarHBondContact O-N 2.86Å
227D96.9Very high96.7Very high26 Ų2626.1 Ų26.114%0.13913%0.132CC..Hα-helixtrans-72.2-45.9-177.258.1-11.4000112.7I201 G203 T225 V230 S231I201-D227 HydrophobicContact CD1-CB 4.14Å; I201-D227 HydrophobicContact CG1-CB 3.75Å; G203-D227 PolarHBondContact N-OD2 3.48Å; G203-D227 VanDerWaalsContact N-OD2 3.09Å; T225-D227 WeakPolarHBondContact CB-OD1 3.44Å; T225-D227 PolarHBondContact O-N 2.83Å; D227-V230 WeakPolarHBondContact O-CG1 3.22Å; D227-S231 WeakPolarHBondContact O-CB 3.38Å; D227-S231 PolarHBondContact O-N 3.39Å; D227-S231 VanDerWaalsContact O-N 3.11Å; D227-S231 PolarHBondContact O-OG 3.14Å
228I97.3Very high96.6Very high11 Ų1124.9 Ų24.96%0.05612%0.119CC..Hα-helixtrans-63-46.7173.6-50.2-178.3000109.3T200 T225 V230 S231 W232 V274T200-I228 WeakPolarHBondContact OG1-CG1 3.48Å; T200-I228 PolarHBondContact OG1-N 3.02Å; T225-I228 HydrophobicContact CG2-CD1 4.11Å; T225-I228 WeakPolarHBondContact OG1-CD1 3.25Å; T225-I228 WeakPolarHBondContact OG1-CG1 3.19Å; I228-V230 PolarHBondContact O-N 3.27Å; I228-S231 WeakPolarHBondContact O-CB 3.39Å; I228-S231 PolarHBondContact O-N 2.81Å; I228-W232 PolarHBondContact O-N 2.93Å; I228-V274 HydrophobicContact CB-CG2 4.46Å; I228-V274 HydrophobicContact CG2-CB 4.33Å; I228-V274 HydrophobicContact CG2-CG2 3.91Å
229A97.4Very high96.6Very high0 Ų023.6 Ų23.60%011%0.114CC..Hα-helixtrans-63-45.2-175.900000112.9D220 M223 T225 S231 W232 K233 V274 R277D220-A229 WeakPolarHBondContact OD2-CB 3.16Å; M223-A229 HydrophobicContact CB-CB 3.84Å; M223-A229 HydrophobicContact CG-CB 3.73Å; T225-A229 WeakPolarHBondContact O-CB 3.25Å; T225-A229 PolarHBondContact O-N 2.96Å; A229-S231 VanDerWaalsContact C-N 3.33Å; A229-W232 PolarHBondContact O-N 3.35Å; A229-K233 WeakPolarHBondContact O-CG 3.48Å; A229-K233 PolarHBondContact O-N 2.92Å; A229-K233 VanDerWaalsContact O-N 3.1Å; A229-V274 HydrophobicContact CB-CG2 4.2Å; A229-R277 PolarHBondContact O-NH2 3.45Å
230V98.2Very high96.5Very high0 Ų029.3 Ų29.30%014%0.136CC..Hα-helixtrans-68.3-33.7177.675.70000111.8I201 F208 V216 E226 D227 I228 W232 K233 L234I201-V230 HydrophobicContact CD1-CG1 3.63Å; F208-V230 HydrophobicContact CE1-CG1 4.09Å; F208-V230 HydrophobicContact CE1-CG2 4.41Å; F208-V230 HydrophobicContact CZ-CG1 4.16Å; V216-V230 HydrophobicContact CG2-CG2 4.37Å; E226-V230 WeakPolarHBondContact O-CB 3.48Å; E226-V230 VanDerWaalsContact O-CG1 3.31Å; E226-V230 WeakPolarHBondContact O-CG1 3.39Å; E226-V230 PolarHBondContact O-N 2.86Å; D227-V230 WeakPolarHBondContact O-CG1 3.22Å; I228-V230 PolarHBondContact O-N 3.27Å; V230-W232 VanDerWaalsContact C-N 3.33Å; V230-W232 PolarHBondContact O-N 3.17Å; V230-K233 PolarHBondContact O-N 3.36Å; V230-L234 HydrophobicContact CG2-CD1 4.46Å; V230-L234 HydrophobicContact CG2-CG 4.47Å; V230-L234 WeakPolarHBondContact O-CB 3.38Å; V230-L234 WeakPolarHBondContact O-CG 3.48Å; V230-L234 PolarHBondContact O-N 3.44Å
231S98.3Very high96.5Very high0 Ų028.2 Ų28.20%013%0.13CC..Hα-helixtrans-58.7-46.6177.3-60.70000111.3I201 D227 I228 A229 L234 H235I201-S231 WeakPolarHBondContact CG1-OG 3.42Å; I201-S231 PolarHBondContact N-OG 3.13Å; D227-S231 WeakPolarHBondContact O-CB 3.38Å; D227-S231 PolarHBondContact O-N 3.39Å; D227-S231 VanDerWaalsContact O-N 3.11Å; D227-S231 PolarHBondContact O-OG 3.14Å; I228-S231 WeakPolarHBondContact O-CB 3.39Å; I228-S231 PolarHBondContact O-N 2.81Å; A229-S231 VanDerWaalsContact C-N 3.33Å; S231-L234 PolarHBondContact O-N 3.32Å; S231-H235 PolarHBondContact O-CD2 3.32Å; S231-H235 PolarHBondContact O-N 2.83Å; S231-H235 VanDerWaalsContact O-N 3.1Å
232W98.1Very high96.5Very high1 Ų128.3 Ų28.30%0.00413%0.127CC..Hα-helixtrans-70.1-39.3178.1-80.378.3000112.6N199 I228 A229 V230 L234 H235 L236 V274 T282 L293 M294N199-W232 PolarHBondContact O-NE1 2.9Å; N199-W232 PolarHBondContact OD1-NE1 3.22Å; I228-W232 PolarHBondContact O-N 2.93Å; A229-W232 PolarHBondContact O-N 3.35Å; V230-W232 VanDerWaalsContact C-N 3.33Å; V230-W232 PolarHBondContact O-N 3.17Å; W232-L234 VanDerWaalsContact C-N 3.34Å; W232-L234 PolarHBondContact O-N 2.87Å; W232-H235 PolarHBondContact O-N 3.43Å; W232-L236 VanDerWaalsContact O-CB 3.3Å; W232-L236 WeakPolarHBondContact O-CB 3.44Å; W232-L236 WeakPolarHBondContact O-CG 3.34Å; W232-L236 PolarHBondContact O-N 2.81Å; W232-V274 HydrophobicContact CB-CG1 3.76Å; W232-V274 VanDerWaalsContact CD1-CG1 3.41Å; W232-V274 HydrophobicContact CD2-CG1 3.58Å; W232-V274 HydrophobicContact CE3-CG1 4.37Å; W232-V274 HydrophobicContact CG-CG1 3.26Å; W232-T282 HydrophobicContact CZ3-CG2 3.99Å; W232-T282 WeakPolarHBondContact CZ3-OG1 3.36Å; W232-L293 HydrophobicContact CH2-CB 3.9Å; W232-L293 HydrophobicContact CZ2-CB 3.89Å; W232-M294 HydrophobicContact CE3-CE 4.28Å; W232-M294 HydrophobicContact CH2-CB 3.97Å; W232-M294 HydrophobicContact CH2-CE 3.67Å; W232-M294 HydrophobicContact CZ2-CE 4.5Å; W232-M294 HydrophobicContact CZ3-CE 3.55Å
233K98.1Very high96.6Very high32 Ų3226.8 Ų26.814%0.13912%0.118CC..Hα-helixtrans-58.5-45.4174-74.3175.463.9177.40112.1V216 G217 Y218 D220 A229 V230 H235 L236 R237V216-K233 HydrophobicContact CB-CB 3.94Å; V216-K233 HydrophobicContact CG1-CB 4.19Å; V216-K233 HydrophobicContact CG2-CB 4.28Å; V216-K233 WeakPolarHBondContact O-CE 3.46Å; V216-K233 PolarHBondContact O-NZ 2.93Å; G217-K233 PolarHBondContact O-NZ 3.34Å; Y218-K233 PolarHBondContact O-NZ 2.99Å; D220-K233 WeakPolarHBondContact OD1-CD 3.44Å; D220-K233 IonicContact OD1-NZ 3.43Å; D220-K233 PolarHBondContact OD1-NZ 3.11Å; D220-K233 WeakPolarHBondContact OD2-CD 3.18Å; D220-K233 IonicContact OD2-NZ 3.9Å; A229-K233 WeakPolarHBondContact O-CG 3.48Å; A229-K233 PolarHBondContact O-N 2.92Å; A229-K233 VanDerWaalsContact O-N 3.1Å; V230-K233 PolarHBondContact O-N 3.36Å; K233-H235 PolarHBondContact O-N 3.4Å; K233-L236 PolarHBondContact O-N 3.38Å; K233-R237 WeakPolarHBondContact O-CB 3.49Å; K233-R237 PolarHBondContact O-N 2.91Å
234L98.2Very high96.6Very high0 Ų026.8 Ų26.80%012%0.118CC..Hα-helixtrans-58.3-49.7175.3-74.2170.9000111.4A159 F208 A212 V216 V230 S231 W232 R237 G238 Y239 I241A159-L234 HydrophobicContact CB-CD1 3.96Å; F208-L234 HydrophobicContact CD1-CD1 4.2Å; F208-L234 HydrophobicContact CE1-CD1 4.07Å; A212-L234 HydrophobicContact CB-CD2 3.79Å; V216-L234 HydrophobicContact CG1-CD2 4.05Å; V216-L234 HydrophobicContact CG1-CG 4.5Å; V216-L234 HydrophobicContact CG2-CD2 4.44Å; V230-L234 HydrophobicContact CG2-CD1 4.46Å; V230-L234 HydrophobicContact CG2-CG 4.47Å; V230-L234 WeakPolarHBondContact O-CB 3.38Å; V230-L234 WeakPolarHBondContact O-CG 3.48Å; V230-L234 PolarHBondContact O-N 3.44Å; S231-L234 PolarHBondContact O-N 3.32Å; W232-L234 VanDerWaalsContact C-N 3.34Å; W232-L234 PolarHBondContact O-N 2.87Å; L234-R237 PolarHBondContact O-N 3.28Å; L234-G238 PolarHBondContact O-N 3.34Å; L234-G238 VanDerWaalsContact O-N 3.08Å; L234-Y239 HydrophobicContact CD2-CD2 3.88Å; L234-Y239 HydrophobicContact CD2-CG 4.18Å; L234-Y239 WeakPolarHBondContact O-CB 3.24Å; L234-Y239 PolarHBondContact O-N 2.96Å; L234-I241 HydrophobicContact CB-CD1 4.22Å; L234-I241 HydrophobicContact CD1-CD1 4.07Å; L234-I241 HydrophobicContact CD1-CG1 4.34Å
235H97.8Very high96.6Very high3 Ų326.4 Ų26.41%0.01412%0.116CC..Hα-helixtrans-62.2-44.9179.8-81.4-31.3000114V198 S231 W232 K233 R237 G238 Y239 R287 L290V198-H235 PolarHBondContact N-NE2 3.43Å; V198-H235 VanDerWaalsContact N-NE2 3.13Å; V198-H235 PolarHBondContact O-NE2 2.91Å; V198-H235 VanDerWaalsContact O-NE2 3.16Å; S231-H235 PolarHBondContact O-CD2 3.32Å; S231-H235 PolarHBondContact O-N 2.83Å; S231-H235 VanDerWaalsContact O-N 3.1Å; W232-H235 PolarHBondContact O-N 3.43Å; K233-H235 PolarHBondContact O-N 3.4Å; H235-R237 PolarHBondContact O-N 3.47Å; H235-G238 PolarHBondContact O-N 2.85Å; H235-Y239 PolarHBondContact ND1-O 3.01Å; H235-R287 PolarHBondContact O-NH1 3.42Å; H235-L290 HydrophobicContact CB-CD1 4.2Å; H235-L290 HydrophobicContact CB-CD2 3.64Å
236L97.4Very high96.4Very high41 Ų4126.7 Ų26.722%0.21512%0.118CC..Hα-helixtrans-63.4-33.3176.5-73.2173.5000111.8W232 K233 D278 T285 L290W232-L236 VanDerWaalsContact O-CB 3.3Å; W232-L236 WeakPolarHBondContact O-CB 3.44Å; W232-L236 WeakPolarHBondContact O-CG 3.34Å; W232-L236 PolarHBondContact O-N 2.81Å; K233-L236 PolarHBondContact O-N 3.38Å; L236-D278 HydrophobicContact CD1-CB 3.82Å; L236-T285 HydrophobicContact CD2-CG2 3.62Å; L236-L290 HydrophobicContact CD2-CD1 4.45Å
237R96.6Very high96.4Very high154 Ų15426 Ų2658%0.58112%0.115SC*.Hα-helixtrans-83-14.6-179.2-163.459.7-179.2145.9-1.9114.4D215 V216 K233 L234 H235 Y239D215-R237 IonicContact OD1-CZ 3.82Å; D215-R237 IonicContact OD1-NE 3.3Å; D215-R237 PolarHBondContact OD1-NE 2.85Å; D215-R237 IonicContact OD1-NH2 2.77Å; D215-R237 PolarHBondContact OD1-NH2 2.92Å; D215-R237 WeakPolarHBondContact OD2-CG 3.17Å; D215-R237 IonicContact OD2-NE 2.96Å; D215-R237 PolarHBondContact OD2-NE 3.41Å; V216-R237 HydrophobicContact CG1-CB 3.73Å; V216-R237 HydrophobicContact CG1-CG 4.03Å; K233-R237 WeakPolarHBondContact O-CB 3.49Å; K233-R237 PolarHBondContact O-N 2.91Å; L234-R237 PolarHBondContact O-N 3.28Å; H235-R237 PolarHBondContact O-N 3.47Å; R237-Y239 HydrophobicContact CB-CD2 4.15Å; R237-Y239 HydrophobicContact CB-CE2 4.28Å; R237-Y239 HydrophobicContact CG-CD2 4.4Å; R237-Y239 HydrophobicContact CG-CE2 4.03Å
238G95.9Very high96.3Very high18 Ų1826.2 Ų26.219%0.18612%0.115CC..THydrogen-bonded Turntrans129.5-18.217100000114.1L234 H235 R287L234-G238 PolarHBondContact O-N 3.34Å; L234-G238 VanDerWaalsContact O-N 3.08Å; H235-G238 PolarHBondContact O-N 2.85Å; G238-R287 VanDerWaalsContact C-NH1 3.26Å; G238-R287 VanDerWaalsContact CA-NH2 3.26Å; G238-R287 PolarHBondContact O-NH1 3.03Å; G238-R287 PolarHBondContact O-NH2 2.89Å; G238-R287 VanDerWaalsContact O-NH2 3.11Å
239Y97.2Very high96.2Very high45 Ų4525.7 Ų25.718%0.17611%0.112CC..  trans-73.9155.1-172.8-60.9-76.5000112.6K156 A212 D215 V216 L234 H235 R237K156-Y239 WeakPolarHBondContact O-CA 3.45Å; A212-Y239 HydrophobicContact CB-CD1 3.86Å; A212-Y239 HydrophobicContact CB-CD2 4.14Å; A212-Y239 HydrophobicContact CB-CE1 3.68Å; A212-Y239 HydrophobicContact CB-CE2 3.97Å; A212-Y239 HydrophobicContact CB-CG 4.09Å; D215-Y239 HydrophobicContact CB-CE2 4.23Å; D215-Y239 WeakPolarHBondContact CB-OH 3.31Å; D215-Y239 WeakPolarHBondContact OD2-CE2 3.21Å; D215-Y239 PolarHBondContact OD2-OH 3.36Å; V216-Y239 HydrophobicContact CG1-CD2 4.49Å; V216-Y239 HydrophobicContact CG1-CE2 4.48Å; L234-Y239 HydrophobicContact CD2-CD2 3.88Å; L234-Y239 HydrophobicContact CD2-CG 4.18Å; L234-Y239 WeakPolarHBondContact O-CB 3.24Å; L234-Y239 PolarHBondContact O-N 2.96Å; H235-Y239 PolarHBondContact ND1-O 3.01Å; R237-Y239 HydrophobicContact CB-CD2 4.15Å; R237-Y239 HydrophobicContact CB-CE2 4.28Å; R237-Y239 HydrophobicContact CG-CD2 4.4Å; R237-Y239 HydrophobicContact CG-CE2 4.03Å
240R96.3Very high96.1Very high125 Ų12529.3 Ų29.347%0.47213%0.126SC..EExtended strand (participates in β ladder)trans-100.3155173.2-67.7174.3177.5167.9-1.7110.3D154 K156 L157 G158 A159D154-R240 IonicContact OD1-NH1 3.07Å; D154-R240 VanDerWaalsContact OD2-CD 3.24Å; D154-R240 WeakPolarHBondContact OD2-CD 3.48Å; D154-R240 IonicContact OD2-CZ 3.54Å; D154-R240 IonicContact OD2-NH1 3.93Å; D154-R240 PolarHBondContact OD2-NH1 2.92Å; K156-R240 PolarHBondContact O-N 3.45Å; L157-R240 HydrophobicContact CD1-CB 4.23Å; G158-R240 PolarHBondContact N-O 2.87Å; A159-R240 PolarHBondContact N-O 3.09Å
241I97.4Very high95.9Very high6 Ų629.7 Ų29.73%0.03113%0.128CC..EExtended strand (participates in β ladder)trans-126.9133.4173.7-59.2178.9000106.6A159 V198 I201 L234A159-I241 HydrophobicContact CB-CG1 4.3Å; A159-I241 HydrophobicContact CB-CG2 4.44Å; A159-I241 VanDerWaalsContact O-CA 3.32Å; A159-I241 WeakPolarHBondContact O-CA 3.15Å; V198-I241 HydrophobicContact CB-CG2 4.27Å; I201-I241 HydrophobicContact CG2-CD1 4.11Å; I201-I241 HydrophobicContact CG2-CG2 3.61Å; L234-I241 HydrophobicContact CB-CD1 4.22Å; L234-I241 HydrophobicContact CD1-CD1 4.07Å; L234-I241 HydrophobicContact CD1-CG1 4.34Å
242K94.5Very high95.7Very high42 Ų4229.9 Ų29.918%0.18313%0.129CC..EExtended strand (participates in β ladder)trans-116.6148.7175.6-74.9178.7-177.2174.30110.6N150 L157 A159 V160 T161N150-K242 WeakPolarHBondContact OD1-CD 3.49Å; L157-K242 HydrophobicContact CD1-CB 4.03Å; L157-K242 HydrophobicContact CD1-CD 3.85Å; L157-K242 HydrophobicContact CD1-CG 3.64Å; L157-K242 HydrophobicContact CD2-CD 4.12Å; A159-K242 PolarHBondContact O-N 2.61Å; A159-K242 VanDerWaalsContact O-N 3.09Å; V160-K242 CarbonylContact C-O 3.5Å; V160-K242 WeakPolarHBondContact CA-O 3.42Å; T161-K242 PolarHBondContact N-O 3.2Å
243Y95.4Very high95.3Very high7 Ų729.9 Ų29.93%0.02713%0.129CC..EExtended strand (participates in β ladder)trans-97126.6165.5170.4-122.1000109.3T161 G162 N163 K189 R190 T193 P245T161-Y243 HydrophobicContact CG2-CD2 4.2Å; T161-Y243 WeakPolarHBondContact O-CA 3.44Å; G162-Y243 WeakPolarHBondContact O-CD2 3.36Å; G162-Y243 VanDerWaalsContact O-CE2 3.28Å; G162-Y243 WeakPolarHBondContact O-CE2 3.19Å; N163-Y243 HydrophobicContact CB-CE2 3.98Å; N163-Y243 PolarHBondContact ND2-OH 2.92Å; N163-Y243 PolarHBondContact OD1-OH 3.46Å; K189-Y243 HydrophobicContact CB-CD1 3.84Å; K189-Y243 HydrophobicContact CB-CD2 4.17Å; K189-Y243 HydrophobicContact CB-CE1 4.22Å; K189-Y243 HydrophobicContact CB-CG 3.79Å; K189-Y243 HydrophobicContact CD-CD2 3.63Å; K189-Y243 HydrophobicContact CD-CE2 3.87Å; K189-Y243 HydrophobicContact CD-CG 4.1Å; R190-Y243 HydrophobicContact CG-CD1 4.12Å; R190-Y243 HydrophobicContact CG-CE1 3.9Å; T193-Y243 WeakPolarHBondContact OG1-CB 3.47Å; Y243-P245 HydrophobicContact CE1-CB 3.86Å
244E93.8Very high95Very high19 Ų1928.3 Ų28.39%0.08912%0.122CC..EExtended strand (participates in β ladder)trans-108.8100.6175.7179.347.7-10500109.8M147 N150 V160 T161 L246 A247M147-E244 HydrophobicContact SD-CB 3.97Å; M147-E244 HydrophobicContact SD-CG 4.41Å; N150-E244 PolarHBondContact ND2-OE2 3.4Å; V160-E244 HydrophobicContact CG1-CB 3.62Å; T161-E244 PolarHBondContact O-N 3.48Å; E244-L246 VanDerWaalsContact C-N 3.3Å; E244-L246 PolarHBondContact O-N 3.25Å; E244-L246 VanDerWaalsContact OE1-CB 3.27Å; E244-L246 WeakPolarHBondContact OE1-CB 3.27Å; E244-L246 PolarHBondContact OE1-N 3Å; E244-A247 HydrophobicContact CB-CB 4.11Å; E244-A247 HydrophobicContact CG-CB 3.7Å; E244-A247 PolarHBondContact O-N 3.02Å
245P93Very high94.6Very high6 Ų629.9 Ų29.94%0.03913%0.13CC..EExtended strand (participates in β ladder)trans-69.8-22.4-176.331.7-40.2000113.8F25 E30 N163 Y243 A247 Y358F25-P245 HydrophobicContact CE1-CG 4.17Å; E30-P245 HydrophobicContact CG-CG 4.06Å; E30-P245 WeakPolarHBondContact OE1-CB 3.06Å; E30-P245 VanDerWaalsContact OE1-CG 3.28Å; E30-P245 WeakPolarHBondContact OE1-CG 3.03Å; N163-P245 WeakPolarHBondContact CB-O 3.46Å; N163-P245 PolarHBondContact ND2-O 3.33Å; Y243-P245 HydrophobicContact CE1-CB 3.86Å; P245-A247 VanDerWaalsContact C-N 3.33Å; P245-Y358 HydrophobicContact CB-CE1 4.18Å; P245-Y358 HydrophobicContact CB-CE2 4.37Å; P245-Y358 WeakPolarHBondContact CB-OH 3.32Å; P245-Y358 WeakPolarHBondContact O-CD1 3.1Å; P245-Y358 VanDerWaalsContact O-CE1 3.27Å; P245-Y358 WeakPolarHBondContact O-CE1 3.4Å
246L92.3Very high94.2Very high11 Ų1132.7 Ų32.76%0.05815%0.147CC..EExtended strand (participates in β ladder)trans-75.7-23.2176.9-64.7165.2000112.5Y33 L35 Y146 E244 M248 Y358Y33-L246 HydrophobicContact CD1-CD1 4.41Å; Y33-L246 HydrophobicContact CG-CD1 4.06Å; L35-L246 HydrophobicContact CD2-CD2 3.55Å; Y146-L246 HydrophobicContact CD1-CB 4.04Å; Y146-L246 HydrophobicContact CD1-CD1 3.88Å; Y146-L246 HydrophobicContact CD2-CB 3.71Å; Y146-L246 HydrophobicContact CE1-CB 4.32Å; Y146-L246 HydrophobicContact CE1-CD1 3.92Å; Y146-L246 HydrophobicContact CE2-CB 4.02Å; Y146-L246 HydrophobicContact CG-CB 3.74Å; Y146-L246 HydrophobicContact CG-CD1 4.43Å; E244-L246 VanDerWaalsContact C-N 3.3Å; E244-L246 PolarHBondContact O-N 3.25Å; E244-L246 VanDerWaalsContact OE1-CB 3.27Å; E244-L246 WeakPolarHBondContact OE1-CB 3.27Å; E244-L246 PolarHBondContact OE1-N 3Å; L246-M248 PolarHBondContact O-N 3.24Å; L246-Y358 HydrophobicContact CD2-CE1 3.96Å
247A94.3Very high93.8Very high0 Ų037 Ų370%017%0.169CC..EExtended strand (participates in β ladder)trans-80.584.8-179.700000110.4A143 M147 G162 N163 F205 E244 P245A143-A247 HydrophobicContact CB-CB 4.05Å; M147-A247 HydrophobicContact CG-CB 3.46Å; M147-A247 VanDerWaalsContact CG-CB 3.46Å; M147-A247 HydrophobicContact SD-CB 3.35Å; M147-A247 WeakPolarHBondContact SD-CB 3.28Å; G162-A247 CarbonylContact C-O 3.58Å; G162-A247 WeakPolarHBondContact CA-O 3.4Å; N163-A247 PolarHBondContact N-O 3.37Å; F205-A247 HydrophobicContact CE1-CB 3.93Å; F205-A247 WeakPolarHBondContact CE1-O 3.39Å; E244-A247 HydrophobicContact CB-CB 4.11Å; E244-A247 HydrophobicContact CG-CB 3.7Å; E244-A247 PolarHBondContact O-N 3.02Å; P245-A247 VanDerWaalsContact C-N 3.33Å
248M94.7Very high93.6Very high30 Ų3031.7 Ų31.715%0.14816%0.163CC..EExtended strand (participates in β ladder)trans-86149-177.6-62.2-178-64.200112.6D140 A143 L246 Y358D140-M248 HydrophobicContact CB-CB 4.15Å; D140-M248 VanDerWaalsContact CB-O 3.26Å; D140-M248 WeakPolarHBondContact CB-O 3.24Å; D140-M248 PolarHBondContact N-O 3.35Å; D140-M248 VanDerWaalsContact N-O 3.13Å; A143-M248 WeakPolarHBondContact CB-O 3.1Å; L246-M248 PolarHBondContact O-N 3.24Å; M248-Y358 HydrophobicContact SD-CD1 4.22Å
249C95.8Very high93.3Very high0 Ų031.2 Ų31.20%016%0.157CC..EExtended strand (participates in β ladder)trans-143.1162.6162.3710000109.4T137 I138 N163 P164 R165 F205T137-C249 HydrophobicContact CG2-CB 3.62Å; I138-C249 CarbonylContact O-C 3.51Å; I138-C249 WeakPolarHBondContact O-CA 3.43Å; I138-C249 WeakPolarHBondContact O-CB 3.16Å; N163-C249 PolarHBondContact O-N 2.78Å; P164-C249 CarbonylContact C-O 3.58Å; R165-C249 WeakPolarHBondContact CA-O 3.17Å; R165-C249 WeakPolarHBondContact CB-O 3.28Å; R165-C249 PolarHBondContact N-O 3.39Å; F205-C249 HydrophobicContact CB-CB 4.25Å; F205-C249 WeakPolarHBondContact CB-SG 3.4Å; F205-C249 HydrophobicContact CD1-CB 3.8Å; F205-C249 HydrophobicContact CE1-CB 4.32Å; F205-C249 HydrophobicContact CG-CB 4.07Å
250W95.4Very high93Very high75 Ų7529.9 Ų29.928%0.28415%0.154SC..EExtended strand (participates in β ladder)trans-117.9122.8175.9-61-93.3000110.2T137 I138 D140 R165 R167T137-W250 WeakPolarHBondContact CA-O 3.4Å; I138-W250 HydrophobicContact CB-CB 4.36Å; I138-W250 HydrophobicContact CB-CE3 4.38Å; I138-W250 HydrophobicContact CG2-CE3 4.16Å; I138-W250 PolarHBondContact N-O 3.39Å; I138-W250 PolarHBondContact O-N 3.18Å; D140-W250 HydrophobicContact CB-CH2 3.87Å; D140-W250 HydrophobicContact CB-CZ3 3.74Å; R165-W250 HydrophobicContact CB-CG 4.31Å; R165-W250 CarbonylContact O-C 3.53Å; R165-W250 VanDerWaalsContact O-CA 3.28Å; R165-W250 WeakPolarHBondContact O-CA 3.4Å; R167-W250 HydrophobicContact CB-CB 4.15Å
251M93.8Very high92.9Very high8 Ų828.5 Ų28.54%0.03915%0.148CC..EExtended strand (participates in β ladder)trans-118.8159.7-176.866175.4-67.900111.4P164 R165 I166 R167 Y181 V204 V253P164-M251 HydrophobicContact CB-CG 4.35Å; P164-M251 HydrophobicContact CB-SD 3.78Å; R165-M251 WeakPolarHBondContact O-CG 3.46Å; R165-M251 PolarHBondContact O-N 3.42Å; I166-M251 HydrophobicContact CD1-CG 4.45Å; R167-M251 WeakPolarHBondContact CB-O 3.48Å; R167-M251 PolarHBondContact N-O 3.03Å; Y181-M251 HydrophobicContact CE1-SD 4.1Å; V204-M251 HydrophobicContact CB-SD 4.42Å; V204-M251 HydrophobicContact CG1-CB 3.77Å; V204-M251 HydrophobicContact CG1-CE 4.49Å; V204-M251 HydrophobicContact CG1-CG 4.48Å; V204-M251 HydrophobicContact CG1-SD 4.14Å; V204-M251 HydrophobicContact CG2-CE 3.69Å; V204-M251 HydrophobicContact CG2-SD 3.83Å; M251-V253 HydrophobicContact CE-CG1 4.11Å
252L93Very high92.7Very high5 Ų535.2 Ų35.23%0.02618%0.177CC..  trans-90.1140.5172.6-65.3172.5000110.8T61 D136 R167 N168 R407 T410T61-L252 HydrophobicContact CG2-CD1 3.74Å; D136-L252 HydrophobicContact CB-CB 4.47Å; D136-L252 HydrophobicContact CB-CD1 4.12Å; D136-L252 HydrophobicContact CB-CG 4.46Å; R167-L252 HydrophobicContact CB-CD2 4.06Å; R167-L252 HydrophobicContact CG-CD2 4.31Å; N168-L252 HydrophobicContact CB-CD2 3.78Å; L252-R407 HydrophobicContact CB-CB 4.12Å; L252-R407 HydrophobicContact CB-CG 3.82Å; L252-R407 HydrophobicContact CD1-CB 4.37Å; L252-T410 HydrophobicContact CD1-CG2 3.75Å
253V91.5Very high92.6Very high0 Ų033.8 Ų33.80%017%0.171CC..  trans-120.7160.8175.8-72.60000112I166 N168 Q177 Y181 M251 E255I166-V253 HydrophobicContact CD1-CB 4.27Å; I166-V253 HydrophobicContact CD1-CG1 3.34Å; I166-V253 HydrophobicContact CD1-CG2 3.98Å; I166-V253 HydrophobicContact CG1-CG2 4.47Å; I166-V253 HydrophobicContact CG2-CG2 3.68Å; N168-V253 PolarHBondContact ND2-O 3.31Å; N168-V253 WeakPolarHBondContact OD1-CG2 3.08Å; N168-V253 PolarHBondContact OD1-N 2.68Å; Q177-V253 HydrophobicContact CB-CG2 4.24Å; Y181-V253 HydrophobicContact CE2-CG1 4.44Å; M251-V253 HydrophobicContact CE-CG1 4.11Å; V253-E255 PolarHBondContact O-N 3.39Å
254P91.2Very high92.5Very high0 Ų034.2 Ų34.20%017%0.173CC..  trans-59.1132.2177.9-21.431.1000112.4Q177 L260 Q263 P405 D406Q177-P254 PolarHBondContact NE2-O 3.48Å; P254-L260 HydrophobicContact CB-CB 4.47Å; P254-Q263 HydrophobicContact CG-CB 4.38Å; P254-P405 HydrophobicContact CB-CB 4.2Å; P254-P405 HydrophobicContact CG-CB 3.84Å; P254-P405 HydrophobicContact CG-CG 3.84Å; P254-D406 VanDerWaalsContact CA-O 3.24Å; P254-D406 WeakPolarHBondContact CA-O 3.29Å
255E89.4Confident92.6Very high33 Ų3333.5 Ų33.515%0.15417%0.17CC..  trans-95.9-4.9174.2-67.9-149.8126.700113.3N168 S170 S171 V253 D406 G408N168-E255 WeakPolarHBondContact ND2-CG 3.22Å; S170-E255 PolarHBondContact OG-OE1 3.06Å; S171-E255 WeakPolarHBondContact CB-OE1 3.38Å; S171-E255 PolarHBondContact N-OE1 3.27Å; S171-E255 PolarHBondContact OG-OE1 2.65Å; V253-E255 PolarHBondContact O-N 3.39Å; E255-D406 PolarHBondContact N-O 3.49Å; E255-G408 WeakPolarHBondContact OE2-CA 3.21Å
256T90.5Very high92.7Very high61 Ų6134.7 Ų34.737%0.37417%0.173SC..SBendtrans-108.9147.3175.257.90000112.7L173 G258 G259 L260 D406L173-T256 VanDerWaalsContact CD2-C 3.49Å; T256-G258 PolarHBondContact O-N 3.27Å; T256-G259 PolarHBondContact O-N 2.87Å; T256-G259 PolarHBondContact OG1-N 3.29Å; T256-L260 PolarHBondContact O-N 3.25Å; T256-D406 VanDerWaalsContact CG2-OD2 3.24Å; T256-D406 WeakPolarHBondContact CG2-OD2 3.48Å
257L88.8Confident92.8Very high132 Ų13237.5 Ų37.569%0.69118%0.184SC*.Hα-helixtrans-59.4-36.5175-67.5177.5000112.3L173 L260 W261L173-L257 HydrophobicContact CD1-CD2 4.09Å; L173-L257 HydrophobicContact CD2-CD2 4.47Å; L257-L260 PolarHBondContact O-N 3.17Å; L257-W261 VanDerWaalsContact O-CB 3.32Å; L257-W261 WeakPolarHBondContact O-CB 3.48Å; L257-W261 PolarHBondContact O-N 3.29Å
258G90.8Very high92.9Very high43 Ų4338.6 Ų38.644%0.44319%0.192SC..Hα-helixtrans-66.8-41.4176.300000112.9T256 K262T256-G258 PolarHBondContact O-N 3.27Å; G258-K262 WeakPolarHBondContact O-CG 3.43Å; G258-K262 PolarHBondContact O-N 3.29Å; G258-K262 VanDerWaalsContact O-N 3.1Å
259G91.2Very high92.9Very high7 Ų737.9 Ų37.97%0.07219%0.189CC..Hα-helixtrans-63.7-45.6173.700000112T256 K262 Q263T256-G259 PolarHBondContact O-N 2.87Å; T256-G259 PolarHBondContact OG1-N 3.29Å; G259-K262 PolarHBondContact O-N 2.72Å; G259-Q263 PolarHBondContact O-N 2.81Å
260L90.7Very high92.9Very high18 Ų1838 Ų389%0.09419%0.189CC..Hα-helixtrans-59.5-49.3175.5179.763.8000111.3L173 P254 T256 L257 K262 Q263 R264L173-L260 HydrophobicContact CD1-CD2 3.69Å; L173-L260 HydrophobicContact CD2-CB 4.25Å; L173-L260 HydrophobicContact CD2-CD2 4.39Å; L173-L260 HydrophobicContact CG-CD2 4.37Å; P254-L260 HydrophobicContact CB-CB 4.47Å; T256-L260 PolarHBondContact O-N 3.25Å; L257-L260 PolarHBondContact O-N 3.17Å; L260-K262 PolarHBondContact O-N 3.23Å; L260-Q263 WeakPolarHBondContact O-CB 3.05Å; L260-Q263 PolarHBondContact O-N 3.32Å; L260-Q263 VanDerWaalsContact O-N 3.15Å; L260-R264 HydrophobicContact CD1-CG 4.08Å; L260-R264 HydrophobicContact CG-CG 4.33Å; L260-R264 WeakPolarHBondContact O-CG 3.45Å; L260-R264 PolarHBondContact O-N 3.22Å
261W93.1Very high92.9Very high96 Ų9634.6 Ų34.636%0.36418%0.178SC..Hα-helixtrans-55.5-48.4178.2173.5-101.5000112.4L257 Q263 R264 V265 A382 V383 V386L257-W261 VanDerWaalsContact O-CB 3.32Å; L257-W261 WeakPolarHBondContact O-CB 3.48Å; L257-W261 PolarHBondContact O-N 3.29Å; W261-Q263 VanDerWaalsContact C-N 3.32Å; W261-Q263 PolarHBondContact O-N 3.33Å; W261-R264 PolarHBondContact O-N 2.83Å; W261-V265 HydrophobicContact CD2-CG2 4.08Å; W261-V265 HydrophobicContact CG-CG2 4.49Å; W261-V265 HydrophobicContact CH2-CG2 4.46Å; W261-V265 HydrophobicContact CZ2-CG2 3.88Å; W261-V265 WeakPolarHBondContact O-CG2 3.49Å; W261-V265 PolarHBondContact O-N 3.41Å; W261-A382 HydrophobicContact CH2-CB 3.78Å; W261-A382 HydrophobicContact CZ3-CB 3.79Å; W261-V383 HydrophobicContact CE3-CG2 3.79Å; W261-V383 HydrophobicContact CH2-CG2 4.2Å; W261-V383 HydrophobicContact CZ3-CB 4.47Å; W261-V383 HydrophobicContact CZ3-CG2 3.57Å; W261-V386 HydrophobicContact CH2-CG2 4.28Å; W261-V386 HydrophobicContact CZ2-CB 4.28Å; W261-V386 HydrophobicContact CZ2-CG2 3.9Å
262K93.6Very high93Very high146 Ų14634.5 Ų34.564%0.63518%0.177SC*.Hα-helixtrans-58.9-43.4177.4-73.5176.2-177.5179.50111.7G258 G259 L260 R266G258-K262 WeakPolarHBondContact O-CG 3.43Å; G258-K262 PolarHBondContact O-N 3.29Å; G258-K262 VanDerWaalsContact O-N 3.1Å; G259-K262 PolarHBondContact O-N 2.72Å; L260-K262 PolarHBondContact O-N 3.23Å; K262-R266 WeakPolarHBondContact O-CB 2.8Å; K262-R266 PolarHBondContact O-N 3.32Å; K262-R266 VanDerWaalsContact O-N 3.09Å
263Q93.1Very high93.2Very high12 Ų1234.7 Ų34.76%0.05618%0.178CC..Hα-helixtrans-61.7-47177.3-176.5-17367.600111.6P254 G259 L260 W261 R266 W267P254-Q263 HydrophobicContact CG-CB 4.38Å; G259-Q263 PolarHBondContact O-N 2.81Å; L260-Q263 WeakPolarHBondContact O-CB 3.05Å; L260-Q263 PolarHBondContact O-N 3.32Å; L260-Q263 VanDerWaalsContact O-N 3.15Å; W261-Q263 VanDerWaalsContact C-N 3.32Å; W261-Q263 PolarHBondContact O-N 3.33Å; Q263-R266 VanDerWaalsContact O-CB 3.27Å; Q263-R266 WeakPolarHBondContact O-CB 3.43Å; Q263-R266 PolarHBondContact O-N 3.43Å; Q263-W267 HydrophobicContact CG-CD2 4.16Å; Q263-W267 VanDerWaalsContact CG-CE2 3.49Å; Q263-W267 HydrophobicContact CG-CH2 4.11Å; Q263-W267 HydrophobicContact CG-CZ2 3.46Å; Q263-W267 VanDerWaalsContact CG-CZ2 3.46Å; Q263-W267 PolarHBondContact O-N 2.86Å
264R93.7Very high93.4Very high16 Ų1634.7 Ų34.76%0.0618%0.178CC..Hα-helixtrans-67.6-40.8-178.8-60.4-54.3170.6141.82.9113.4E180 L260 W261 R266 W267 A268 V383E180-R264 IonicContact OE1-CZ 2.67Å; E180-R264 VanDerWaalsContact OE1-CZ 3.23Å; E180-R264 IonicContact OE1-NH1 3.72Å; E180-R264 PolarHBondContact OE1-NH1 3.27Å; E180-R264 IonicContact OE1-NH2 2.92Å; E180-R264 PolarHBondContact OE1-NH2 3.2Å; E180-R264 IonicContact OE2-CZ 3.27Å; E180-R264 IonicContact OE2-NH1 2.61Å; E180-R264 IonicContact OE2-NH2 2.95Å; E180-R264 PolarHBondContact OE2-NH2 3.37Å; L260-R264 HydrophobicContact CD1-CG 4.08Å; L260-R264 HydrophobicContact CG-CG 4.33Å; L260-R264 WeakPolarHBondContact O-CG 3.45Å; L260-R264 PolarHBondContact O-N 3.22Å; W261-R264 PolarHBondContact O-N 2.83Å; R264-R266 PolarHBondContact O-N 3.21Å; R264-W267 VanDerWaalsContact CZ-CZ3 3.43Å; R264-W267 VanDerWaalsContact NH1-CZ3 3.3Å; R264-W267 PolarHBondContact O-N 3.49Å; R264-A268 WeakPolarHBondContact O-CB 3.28Å; R264-A268 PolarHBondContact O-N 3.31Å; R264-V383 HydrophobicContact CB-CG1 4.16Å; R264-V383 HydrophobicContact CB-CG2 3.65Å; R264-V383 WeakPolarHBondContact O-CG1 3.32Å
265V95.4Very high93.6Very high5 Ų535.4 Ų35.43%0.0318%0.182CC..Hα-helixtrans-58.5-40.4172.1172.70000110.9W261 Q269 V383 V386 K390W261-V265 HydrophobicContact CD2-CG2 4.08Å; W261-V265 HydrophobicContact CG-CG2 4.49Å; W261-V265 HydrophobicContact CH2-CG2 4.46Å; W261-V265 HydrophobicContact CZ2-CG2 3.88Å; W261-V265 WeakPolarHBondContact O-CG2 3.49Å; W261-V265 PolarHBondContact O-N 3.41Å; V265-Q269 WeakPolarHBondContact O-CB 3.35Å; V265-Q269 PolarHBondContact O-N 3.22Å; V265-V383 HydrophobicContact CG2-CG1 4.43Å; V265-V383 HydrophobicContact CG2-CG2 4.22Å; V265-V386 HydrophobicContact CG1-CG1 4.09Å; V265-V386 HydrophobicContact CG2-CG1 4.33Å; V265-K390 HydrophobicContact CG1-CD 4.02Å
266R94.5Very high93.9Very high30 Ų3037.3 Ų37.311%0.11319%0.193CC..Hα-helixtrans-61.3-50.5176.7-160.4-167-48.7116.81.3112I224 T225 K262 Q263 R264 Q269 G270I224-R266 HydrophobicContact CD1-CG 4.44Å; I224-R266 HydrophobicContact CG1-CG 3.58Å; I224-R266 HydrophobicContact CG2-CG 4.49Å; T225-R266 HydrophobicContact CG2-CG 4.26Å; K262-R266 WeakPolarHBondContact O-CB 2.8Å; K262-R266 PolarHBondContact O-N 3.32Å; K262-R266 VanDerWaalsContact O-N 3.09Å; Q263-R266 VanDerWaalsContact O-CB 3.27Å; Q263-R266 WeakPolarHBondContact O-CB 3.43Å; Q263-R266 PolarHBondContact O-N 3.43Å; R264-R266 PolarHBondContact O-N 3.21Å; R266-Q269 PolarHBondContact O-N 3.42Å; R266-G270 PolarHBondContact O-N 2.57Å
267W94.3Very high94.1Very high71 Ų7138 Ų3827%0.26919%0.188SC..Hα-helixtrans-63.1-45.2-178.9-63-11.6000112.4Y181 Q263 R264 G270 G271Y181-W267 VanDerWaalsContact OH-CH2 3.28Å; Y181-W267 WeakPolarHBondContact OH-CH2 3.44Å; Q263-W267 HydrophobicContact CG-CD2 4.16Å; Q263-W267 VanDerWaalsContact CG-CE2 3.49Å; Q263-W267 HydrophobicContact CG-CH2 4.11Å; Q263-W267 HydrophobicContact CG-CZ2 3.46Å; Q263-W267 VanDerWaalsContact CG-CZ2 3.46Å; Q263-W267 PolarHBondContact O-N 2.86Å; R264-W267 VanDerWaalsContact CZ-CZ3 3.43Å; R264-W267 VanDerWaalsContact NH1-CZ3 3.3Å; R264-W267 PolarHBondContact O-N 3.49Å; W267-G270 PolarHBondContact O-N 2.89Å; W267-G271 PolarHBondContact O-N 3.03Å
268A95.6Very high94.5Very high22 Ų2232.1 Ų32.118%0.18216%0.158CC..Hα-helixtrans-64.3-41.9176.400000111.6R264 G271 H272 V383 A387R264-A268 WeakPolarHBondContact O-CB 3.28Å; R264-A268 PolarHBondContact O-N 3.31Å; A268-G271 PolarHBondContact O-N 2.94Å; A268-H272 PolarHBondContact O-CD2 3.15Å; A268-H272 VanDerWaalsContact O-CD2 3.3Å; A268-H272 PolarHBondContact O-N 3.2Å; A268-H272 PolarHBondContact O-ND1 3.07Å; A268-V383 HydrophobicContact CB-CG1 3.41Å; A268-V383 VanDerWaalsContact CB-CG1 3.41Å; A268-A387 HydrophobicContact CB-CB 3.55Å
269Q95.7Very high94.8Very high16 Ų1633 Ų338%0.07515%0.15CC..Hα-helixtrans-61.7-47.9178.1-179.9-173.1-29.900110.6I224 V265 R266 G271 H272 E273 A387 K390 A391I224-Q269 HydrophobicContact CG2-CB 4.18Å; I224-Q269 HydrophobicContact CG2-CG 3.96Å; V265-Q269 WeakPolarHBondContact O-CB 3.35Å; V265-Q269 PolarHBondContact O-N 3.22Å; R266-Q269 PolarHBondContact O-N 3.42Å; Q269-G271 VanDerWaalsContact C-N 3.33Å; Q269-G271 PolarHBondContact O-N 2.84Å; Q269-H272 CarbonylContact O-C 3.54Å; Q269-H272 WeakPolarHBondContact O-CA 3.45Å; Q269-H272 WeakPolarHBondContact O-CB 3.36Å; Q269-H272 PolarHBondContact O-N 3.36Å; Q269-E273 HydrophobicContact CG-CG 4.41Å; Q269-E273 WeakPolarHBondContact CG-OE1 3.23Å; Q269-E273 PolarHBondContact NE2-OE1 3.36Å; Q269-E273 WeakPolarHBondContact O-CG 3.21Å; Q269-E273 PolarHBondContact O-N 2.72Å; Q269-A387 HydrophobicContact CB-CB 4.1Å; Q269-K390 HydrophobicContact CG-CB 4.13Å; Q269-A391 HydrophobicContact CG-CB 4.06Å
270G95.3Very high95Very high1 Ų139.7 Ų39.71%0.0118%0.177CC..Hα-helixtrans-58.3-43.3177.400000113.3T225 R266 W267 H272 E273 V274T225-G270 WeakPolarHBondContact OG1-CA 2.99Å; R266-G270 PolarHBondContact O-N 2.57Å; W267-G270 PolarHBondContact O-N 2.89Å; G270-H272 VanDerWaalsContact C-N 3.33Å; G270-H272 PolarHBondContact O-N 3.39Å; G270-E273 PolarHBondContact O-N 3.39Å; G270-V274 PolarHBondContact O-N 3.13Å; G270-V274 VanDerWaalsContact O-N 3.11Å
271G95.9Very high95.3Very high4 Ų441.5 Ų41.54%0.04119%0.191CC..Hα-helixtrans-57.3-45.5170.700000112.3W267 A268 Q269 V274 L275 Q297W267-G271 PolarHBondContact O-N 3.03Å; A268-G271 PolarHBondContact O-N 2.94Å; Q269-G271 VanDerWaalsContact C-N 3.33Å; Q269-G271 PolarHBondContact O-N 2.84Å; G271-V274 PolarHBondContact O-N 3.26Å; G271-L275 WeakPolarHBondContact O-CB 3.36Å; G271-L275 PolarHBondContact O-N 2.85Å; G271-Q297 VanDerWaalsContact CA-NE2 3.26Å; G271-Q297 PolarHBondContact O-NE2 3.37Å
272H96.2Very high95.5Very high6 Ų636.9 Ų36.93%0.02817%0.173CC..Hα-helixtrans-68.3-36180-59.7160000112.6A268 Q269 G270 V274 L275 L276 I301 F388 A391A268-H272 PolarHBondContact O-CD2 3.15Å; A268-H272 VanDerWaalsContact O-CD2 3.3Å; A268-H272 PolarHBondContact O-N 3.2Å; A268-H272 PolarHBondContact O-ND1 3.07Å; Q269-H272 CarbonylContact O-C 3.54Å; Q269-H272 WeakPolarHBondContact O-CA 3.45Å; Q269-H272 WeakPolarHBondContact O-CB 3.36Å; Q269-H272 PolarHBondContact O-N 3.36Å; G270-H272 VanDerWaalsContact C-N 3.33Å; G270-H272 PolarHBondContact O-N 3.39Å; H272-V274 VanDerWaalsContact C-N 3.34Å; H272-L275 PolarHBondContact O-N 2.88Å; H272-L276 WeakPolarHBondContact O-CB 3.33Å; H272-L276 VanDerWaalsContact O-CG 3.24Å; H272-L276 WeakPolarHBondContact O-CG 3.18Å; H272-L276 PolarHBondContact O-N 3.27Å; H272-I301 WeakPolarHBondContact CD2-CD1 3.13Å; H272-I301 WeakPolarHBondContact NE2-CD1 3.5Å; H272-I301 WeakPolarHBondContact NE2-CG1 3.47Å; H272-F388 HydrophobicContact CB-CD2 4.16Å; H272-F388 AromaticContact CG-CD2 3.92Å; H272-F388 VanDerWaalsContact ND1-CA 3.34Å; H272-F388 WeakPolarHBondContact ND1-CA 3.23Å; H272-F388 AromaticContact ND1-CD2 3.88Å; H272-F388 PolarHBondContact ND1-N 2.6Å; H272-A391 HydrophobicContact CB-CB 3.58Å
273E96Very high95.6Very high9 Ų932.5 Ų32.54%0.04216%0.156CC..Hα-helixtrans-61-44.5175.4-73.3174.5-172.800111M223 I224 Q269 G270 L276 R277 A391 R394M223-E273 HydrophobicContact CE-CB 4.36Å; M223-E273 HydrophobicContact SD-CB 3.63Å; M223-E273 HydrophobicContact SD-CG 4.43Å; M223-E273 VanDerWaalsContact SD-OE2 3.39Å; I224-E273 PolarHBondContact N-OE2 3.02Å; Q269-E273 HydrophobicContact CG-CG 4.41Å; Q269-E273 WeakPolarHBondContact CG-OE1 3.23Å; Q269-E273 PolarHBondContact NE2-OE1 3.36Å; Q269-E273 WeakPolarHBondContact O-CG 3.21Å; Q269-E273 PolarHBondContact O-N 2.72Å; G270-E273 PolarHBondContact O-N 3.39Å; E273-L276 PolarHBondContact O-N 3.36Å; E273-R277 VanDerWaalsContact O-CB 3.31Å; E273-R277 WeakPolarHBondContact O-CB 3.28Å; E273-R277 PolarHBondContact O-N 2.71Å; E273-A391 HydrophobicContact CG-CB 3.8Å; E273-R394 WeakPolarHBondContact OE1-CD 3.32Å; E273-R394 WeakPolarHBondContact OE1-CG 3.14Å; E273-R394 IonicContact OE1-NE 3.69Å
274V96.5Very high95.8Very high0 Ų040 Ų400%019%0.188CC..Hα-helixtrans-64.4-44.9174.9166.90000111.7I228 A229 W232 G270 G271 H272 L276 R277 D278I228-V274 HydrophobicContact CB-CG2 4.46Å; I228-V274 HydrophobicContact CG2-CB 4.33Å; I228-V274 HydrophobicContact CG2-CG2 3.91Å; A229-V274 HydrophobicContact CB-CG2 4.2Å; W232-V274 HydrophobicContact CB-CG1 3.76Å; W232-V274 VanDerWaalsContact CD1-CG1 3.41Å; W232-V274 HydrophobicContact CD2-CG1 3.58Å; W232-V274 HydrophobicContact CE3-CG1 4.37Å; W232-V274 HydrophobicContact CG-CG1 3.26Å; G270-V274 PolarHBondContact O-N 3.13Å; G270-V274 VanDerWaalsContact O-N 3.11Å; G271-V274 PolarHBondContact O-N 3.26Å; H272-V274 VanDerWaalsContact C-N 3.34Å; V274-L276 VanDerWaalsContact C-N 3.29Å; V274-L276 PolarHBondContact O-N 3.44Å; V274-R277 PolarHBondContact O-N 3.11Å; V274-D278 HydrophobicContact CG1-CB 4.44Å; V274-D278 VanDerWaalsContact O-CB 3.31Å; V274-D278 WeakPolarHBondContact O-CB 3.22Å; V274-D278 PolarHBondContact O-N 2.96Å
275L96.2Very high95.7Very high16 Ų1641.1 Ų41.18%0.08420%0.197CC..Hα-helixtrans-55.1-47.2175.2180145.6000110.9G271 H272 F279 M294 Q297 I298 I301G271-L275 WeakPolarHBondContact O-CB 3.36Å; G271-L275 PolarHBondContact O-N 2.85Å; H272-L275 PolarHBondContact O-N 2.88Å; L275-F279 WeakPolarHBondContact O-CB 3.41Å; L275-F279 PolarHBondContact O-N 2.77Å; L275-F279 VanDerWaalsContact O-N 3.17Å; L275-M294 HydrophobicContact CB-SD 4.41Å; L275-M294 HydrophobicContact CD1-SD 4.29Å; L275-M294 HydrophobicContact CG-SD 3.91Å; L275-Q297 HydrophobicContact CD1-CB 3.99Å; L275-Q297 HydrophobicContact CD1-CG 3.72Å; L275-I298 HydrophobicContact CD1-CB 4.49Å; L275-I298 HydrophobicContact CD1-CG1 3.53Å; L275-I298 HydrophobicContact CD2-CG1 4.48Å; L275-I298 HydrophobicContact CG-CG1 4.19Å; L275-I301 HydrophobicContact CD1-CD1 3.87Å
276L95.4Very high95.5Very high73 Ų7349.4 Ų49.438%0.38223%0.232SC..Hα-helixtrans-69.1-39.7179.3-67.3168.5000113H272 E273 V274 A391 L392H272-L276 WeakPolarHBondContact O-CB 3.33Å; H272-L276 VanDerWaalsContact O-CG 3.24Å; H272-L276 WeakPolarHBondContact O-CG 3.18Å; H272-L276 PolarHBondContact O-N 3.27Å; E273-L276 PolarHBondContact O-N 3.36Å; V274-L276 VanDerWaalsContact C-N 3.29Å; V274-L276 PolarHBondContact O-N 3.44Å; L276-A391 HydrophobicContact CD1-CB 4.28Å; L276-L392 HydrophobicContact CD1-CD2 3.7Å; L276-L392 HydrophobicContact CD1-CG 4.24Å; L276-L392 HydrophobicContact CD2-CD2 4.13Å
277R95.1Very high95.4Very high75 Ų7552.2 Ų52.228%0.28324%0.243SC..Hα-helixtrans-71.6-46.9-179.5-175.8-169.160.4-168.13.3111.8D220 M223 A229 E273 V274D220-R277 VanDerWaalsContact CG-NH1 3.27Å; D220-R277 IonicContact OD1-NH1 2.83Å; D220-R277 IonicContact OD2-CZ 3.61Å; D220-R277 IonicContact OD2-NH1 3.18Å; D220-R277 PolarHBondContact OD2-NH1 3.16Å; D220-R277 IonicContact OD2-NH2 2.77Å; M223-R277 HydrophobicContact CE-CB 3.96Å; M223-R277 HydrophobicContact CE-CG 4.14Å; A229-R277 PolarHBondContact O-NH2 3.45Å; E273-R277 VanDerWaalsContact O-CB 3.31Å; E273-R277 WeakPolarHBondContact O-CB 3.28Å; E273-R277 PolarHBondContact O-N 2.71Å; V274-R277 PolarHBondContact O-N 3.11Å
278D96.1Very high95.4Very high9 Ų955.9 Ų55.95%0.04826%0.261CS..Hα-helixtrans-104.3-2-162.4-65.5-22.1000113.7L236 V274 F280 S281 T282L236-D278 HydrophobicContact CD1-CB 3.82Å; V274-D278 HydrophobicContact CG1-CB 4.44Å; V274-D278 VanDerWaalsContact O-CB 3.31Å; V274-D278 WeakPolarHBondContact O-CB 3.22Å; V274-D278 PolarHBondContact O-N 2.96Å; D278-F280 PolarHBondContact O-N 3.35Å; D278-S281 PolarHBondContact O-N 3.31Å; D278-T282 VanDerWaalsContact O-CB 3.3Å; D278-T282 WeakPolarHBondContact O-CB 3.33Å; D278-T282 PolarHBondContact O-N 2.7Å; D278-T282 PolarHBondContact O-OG1 3.13Å
279F96.8Very high95.4Very high62 Ų6256.5 Ų56.527%0.27226%0.263SS..Hα-helixtrans-49.6-56.9179.6178.8-102.7000112.9L275 S281 T282 M283 M294 I298L275-F279 WeakPolarHBondContact O-CB 3.41Å; L275-F279 PolarHBondContact O-N 2.77Å; L275-F279 VanDerWaalsContact O-N 3.17Å; F279-S281 PolarHBondContact O-N 3.35Å; F279-T282 WeakPolarHBondContact O-CB 3.26Å; F279-T282 PolarHBondContact O-N 3.17Å; F279-M283 HydrophobicContact CE1-CG 4.2Å; F279-M283 HydrophobicContact CE2-CE 4.34Å; F279-M283 HydrophobicContact CE2-CG 4.36Å; F279-M283 HydrophobicContact CZ-CG 4.1Å; F279-M283 WeakPolarHBondContact O-CG 3.05Å; F279-M283 PolarHBondContact O-N 3.2Å; F279-M294 HydrophobicContact CB-SD 4.49Å; F279-M294 HydrophobicContact CD2-CG 3.96Å; F279-M294 HydrophobicContact CD2-SD 3.9Å; F279-M294 HydrophobicContact CE2-CG 4.4Å; F279-I298 HydrophobicContact CD2-CD1 3.93Å; F279-I298 HydrophobicContact CE2-CD1 3.65Å
280F96.7Very high95.5Very high146 Ų14655.9 Ų55.964%0.6426%0.261SS*.Hα-helixtrans-67.9-37.9-177.2-66.8-69.6000112.6D278 T282 M283 K284D278-F280 PolarHBondContact O-N 3.35Å; F280-T282 VanDerWaalsContact C-N 3.3Å; F280-T282 PolarHBondContact O-N 3.28Å; F280-M283 PolarHBondContact O-N 3.36Å; F280-K284 WeakPolarHBondContact O-CG 3.19Å; F280-K284 PolarHBondContact O-N 3.01Å; F280-K284 VanDerWaalsContact O-N 3.16Å
281S96.9Very high95.5Very high56 Ų5658.4 Ų58.439%0.39227%0.27SS..Hα-helixtrans-60.8-44174.6-61.90000110.5D278 F279 K284 T285D278-S281 PolarHBondContact O-N 3.31Å; F279-S281 PolarHBondContact O-N 3.35Å; S281-K284 PolarHBondContact O-N 2.96Å; S281-T285 WeakPolarHBondContact O-CG2 3.39Å; S281-T285 PolarHBondContact O-N 3.45Å
282T96.9Very high95.5Very high0 Ų060.6 Ų60.60%028%0.28CS..Hα-helixtrans-59.2-52176.6-57.90000110.6W232 D278 F279 F280 K284 T285 L290 Y291 M294W232-T282 HydrophobicContact CZ3-CG2 3.99Å; W232-T282 WeakPolarHBondContact CZ3-OG1 3.36Å; D278-T282 VanDerWaalsContact O-CB 3.3Å; D278-T282 WeakPolarHBondContact O-CB 3.33Å; D278-T282 PolarHBondContact O-N 2.7Å; D278-T282 PolarHBondContact O-OG1 3.13Å; F279-T282 WeakPolarHBondContact O-CB 3.26Å; F279-T282 PolarHBondContact O-N 3.17Å; F280-T282 VanDerWaalsContact C-N 3.3Å; F280-T282 PolarHBondContact O-N 3.28Å; T282-K284 PolarHBondContact O-N 3.03Å; T282-K284 VanDerWaalsContact O-N 3.16Å; T282-T285 PolarHBondContact O-N 3.5Å; T282-T285 PolarHBondContact O-OG1 3.24Å; T282-L290 HydrophobicContact CG2-CB 3.79Å; T282-Y291 HydrophobicContact CG2-CD1 4.2Å; T282-Y291 WeakPolarHBondContact O-CE1 3.47Å; T282-M294 HydrophobicContact CG2-CB 4.17Å; T282-M294 HydrophobicContact CG2-CE 4.29Å; T282-M294 WeakPolarHBondContact OG1-CE 3.04Å
283M96.2Very high95.5Very high53 Ų5360.5 Ų60.526%0.26128%0.28SS..Hα-helixtrans-56-34.1179.3-67.8-5510800112.7F279 F280 Y291 M294 F295F279-M283 HydrophobicContact CE1-CG 4.2Å; F279-M283 HydrophobicContact CE2-CE 4.34Å; F279-M283 HydrophobicContact CE2-CG 4.36Å; F279-M283 HydrophobicContact CZ-CG 4.1Å; F279-M283 WeakPolarHBondContact O-CG 3.05Å; F279-M283 PolarHBondContact O-N 3.2Å; F280-M283 PolarHBondContact O-N 3.36Å; M283-Y291 HydrophobicContact CE-CD1 3.74Å; M283-Y291 HydrophobicContact CE-CE1 4.01Å; M283-Y291 PolarHBondContact O-OH 3.34Å; M283-Y291 HydrophobicContact SD-CD1 4.43Å; M283-Y291 HydrophobicContact SD-CE1 4.27Å; M283-M294 HydrophobicContact CE-CB 4.44Å; M283-M294 HydrophobicContact CE-CG 4.04Å; M283-F295 HydrophobicContact CE-CE2 4.01Å; M283-F295 HydrophobicContact CE-CZ 4.12Å; M283-F295 HydrophobicContact SD-CE2 4.28Å; M283-F295 HydrophobicContact SD-CZ 4.05Å
284K96.2Very high95.5Very high170 Ų17060 Ų6074%0.73928%0.278SS*.Hα-helixtrans-73.1-24.9177.4-69.7172-177.1-179.60114.4F280 S281 T282 K286F280-K284 WeakPolarHBondContact O-CG 3.19Å; F280-K284 PolarHBondContact O-N 3.01Å; F280-K284 VanDerWaalsContact O-N 3.16Å; S281-K284 PolarHBondContact O-N 2.96Å; T282-K284 PolarHBondContact O-N 3.03Å; T282-K284 VanDerWaalsContact O-N 3.16Å; K284-K286 VanDerWaalsContact C-N 3.31Å; K284-K286 PolarHBondContact O-N 2.74Å
285T92.9Very high95.4Very high39 Ų3964.4 Ų64.424%0.23930%0.297CS..THydrogen-bonded Turntrans-68.9-21.8-173.764.30000115.1L236 S281 T282 R287 L290L236-T285 HydrophobicContact CD2-CG2 3.62Å; S281-T285 WeakPolarHBondContact O-CG2 3.39Å; S281-T285 PolarHBondContact O-N 3.45Å; T282-T285 PolarHBondContact O-N 3.5Å; T282-T285 PolarHBondContact O-OG1 3.24Å; T285-R287 PolarHBondContact O-N 3.08Å; T285-R287 VanDerWaalsContact O-N 3.15Å; T285-R287 PolarHBondContact OG1-N 3.5Å; T285-L290 HydrophobicContact CG2-CD1 4.42Å
286K89.5Confident95.3Very high179 Ų17965 Ų6578%0.77830%0.299SS*.  trans55.823.4-172.2-59-176.4-178.8-179.50114.2K284 Y291K284-K286 VanDerWaalsContact C-N 3.31Å; K284-K286 PolarHBondContact O-N 2.74Å; K286-Y291 WeakPolarHBondContact CA-OH 3.25Å; K286-Y291 PolarHBondContact N-OH 3.33Å
287R92.8Very high95.3Very high90 Ų9062.7 Ų62.734%0.3429%0.287SS..  trans-94.5103.9177.1-70.6-179.8169.7-149.6-12.6110.3H235 G238 T285 P289 L290 Y291H235-R287 PolarHBondContact O-NH1 3.42Å; G238-R287 VanDerWaalsContact C-NH1 3.26Å; G238-R287 VanDerWaalsContact CA-NH2 3.26Å; G238-R287 PolarHBondContact O-NH1 3.03Å; G238-R287 PolarHBondContact O-NH2 2.89Å; G238-R287 VanDerWaalsContact O-NH2 3.11Å; T285-R287 PolarHBondContact O-N 3.08Å; T285-R287 VanDerWaalsContact O-N 3.15Å; T285-R287 PolarHBondContact OG1-N 3.5Å; R287-P289 VanDerWaalsContact C-CD 3.42Å; R287-P289 VanDerWaalsContact C-N 3.33Å; R287-L290 HydrophobicContact CB-CB 4.4Å; R287-L290 HydrophobicContact CB-CD1 3.98Å; R287-L290 HydrophobicContact CB-CG 3.95Å; R287-L290 PolarHBondContact O-N 3Å; R287-Y291 PolarHBondContact O-N 2.74Å
288F95Very high95.3Very high147 Ų14761 Ų6165%0.64528%0.283SS*.Hα-helixtrans-50.9-41.8-179.3-173.7-108.9000114.7L290 Y291 I292F288-L290 VanDerWaalsContact C-N 3.27Å; F288-L290 PolarHBondContact O-N 2.55Å; F288-Y291 HydrophobicContact CD2-CD2 4.46Å; F288-Y291 WeakPolarHBondContact O-CB 3.39Å; F288-Y291 PolarHBondContact O-N 2.87Å; F288-I292 HydrophobicContact CD1-CD1 3.98Å; F288-I292 HydrophobicContact CD1-CG1 4.44Å; F288-I292 HydrophobicContact CE1-CD1 3.62Å; F288-I292 HydrophobicContact CE1-CG1 4.11Å; F288-I292 HydrophobicContact CZ-CD1 4.21Å; F288-I292 HydrophobicContact CZ-CG1 4.28Å; F288-I292 PolarHBondContact O-N 3.29Å; F288-I292 VanDerWaalsContact O-N 3.14Å
289P95.7Very high95.2Very high35 Ų3563.5 Ų63.523%0.22730%0.295CS..Hα-helixtrans-59.8-35.1177.5-26.337.2000113.7A195 A197 R287 Y291 I292 L293A195-P289 VanDerWaalsContact O-CB 3.27Å; A195-P289 WeakPolarHBondContact O-CB 3.17Å; A195-P289 WeakPolarHBondContact O-CG 3.08Å; A197-P289 HydrophobicContact CB-CB 3.82Å; R287-P289 VanDerWaalsContact C-CD 3.42Å; R287-P289 VanDerWaalsContact C-N 3.33Å; P289-Y291 VanDerWaalsContact C-N 3.33Å; P289-I292 PolarHBondContact O-N 3.25Å; P289-L293 PolarHBondContact O-N 3.48Å
290L96.7Very high94.9Very high4 Ų462.7 Ų62.72%0.02130%0.297CS..Hα-helixtrans-73.7-28.4178.4-54.6-175.6000112A197 H235 L236 T282 T285 R287 F288 M294A197-L290 HydrophobicContact CB-CD2 3.66Å; H235-L290 HydrophobicContact CB-CD1 4.2Å; H235-L290 HydrophobicContact CB-CD2 3.64Å; L236-L290 HydrophobicContact CD2-CD1 4.45Å; T282-L290 HydrophobicContact CG2-CB 3.79Å; T285-L290 HydrophobicContact CG2-CD1 4.42Å; R287-L290 HydrophobicContact CB-CB 4.4Å; R287-L290 HydrophobicContact CB-CD1 3.98Å; R287-L290 HydrophobicContact CB-CG 3.95Å; R287-L290 PolarHBondContact O-N 3Å; F288-L290 VanDerWaalsContact C-N 3.27Å; F288-L290 PolarHBondContact O-N 2.55Å; L290-M294 VanDerWaalsContact O-CB 3.26Å; L290-M294 WeakPolarHBondContact O-CB 3.46Å; L290-M294 PolarHBondContact O-N 3.3Å
291Y96.8Very high94.7Very high53 Ų5356.4 Ų56.421%0.20827%0.27CS..Hα-helixtrans-65.3-43.5171.3-59.3-21000110.9T282 M283 K286 R287 F288 P289 L293 M294 F295T282-Y291 HydrophobicContact CG2-CD1 4.2Å; T282-Y291 WeakPolarHBondContact O-CE1 3.47Å; M283-Y291 HydrophobicContact CE-CD1 3.74Å; M283-Y291 HydrophobicContact CE-CE1 4.01Å; M283-Y291 PolarHBondContact O-OH 3.34Å; M283-Y291 HydrophobicContact SD-CD1 4.43Å; M283-Y291 HydrophobicContact SD-CE1 4.27Å; K286-Y291 WeakPolarHBondContact CA-OH 3.25Å; K286-Y291 PolarHBondContact N-OH 3.33Å; R287-Y291 PolarHBondContact O-N 2.74Å; F288-Y291 HydrophobicContact CD2-CD2 4.46Å; F288-Y291 WeakPolarHBondContact O-CB 3.39Å; F288-Y291 PolarHBondContact O-N 2.87Å; P289-Y291 VanDerWaalsContact C-N 3.33Å; Y291-L293 PolarHBondContact O-N 3.22Å; Y291-M294 PolarHBondContact O-N 2.89Å; Y291-F295 WeakPolarHBondContact O-CB 3.4Å; Y291-F295 WeakPolarHBondContact O-CD2 3.2Å; Y291-F295 PolarHBondContact O-N 3.46Å
292I95.1Very high94.5Very high50 Ų5058.3 Ų58.326%0.25628%0.276SS..Hα-helixtrans-56.3-53.2175.8-62172.7000109.9F288 P289 M294 F295 E296F288-I292 HydrophobicContact CD1-CD1 3.98Å; F288-I292 HydrophobicContact CD1-CG1 4.44Å; F288-I292 HydrophobicContact CE1-CD1 3.62Å; F288-I292 HydrophobicContact CE1-CG1 4.11Å; F288-I292 HydrophobicContact CZ-CD1 4.21Å; F288-I292 HydrophobicContact CZ-CG1 4.28Å; F288-I292 PolarHBondContact O-N 3.29Å; F288-I292 VanDerWaalsContact O-N 3.14Å; P289-I292 PolarHBondContact O-N 3.25Å; I292-M294 PolarHBondContact O-N 2.9Å; I292-F295 PolarHBondContact O-N 3.31Å; I292-E296 WeakPolarHBondContact O-CB 3.5Å; I292-E296 PolarHBondContact O-N 3.27Å
293L95.6Very high94.2Very high4 Ų459.8 Ų59.82%0.02128%0.281CS..Hα-helixtrans-59.9-45.3-179.3-63.7-178.2000112.6Q192 A197 N199 W232 P289 Y291 Q297Q192-L293 HydrophobicContact CG-CD2 3.89Å; A197-L293 HydrophobicContact CB-CD1 3.53Å; A197-L293 HydrophobicContact CB-CG 4.36Å; N199-L293 HydrophobicContact CB-CD2 4.2Å; W232-L293 HydrophobicContact CH2-CB 3.9Å; W232-L293 HydrophobicContact CZ2-CB 3.89Å; P289-L293 PolarHBondContact O-N 3.48Å; Y291-L293 PolarHBondContact O-N 3.22Å; L293-Q297 PolarHBondContact O-N 3.03Å; L293-Q297 VanDerWaalsContact O-N 3.14Å
294M96.2Very high94Very high0 Ų057.8 Ų57.80%027%0.272CS..Hα-helixtrans-65.1-48-178.8-177.96166.800111.5W232 L275 F279 T282 M283 L290 Y291 I292 Q297 I298W232-M294 HydrophobicContact CE3-CE 4.28Å; W232-M294 HydrophobicContact CH2-CB 3.97Å; W232-M294 HydrophobicContact CH2-CE 3.67Å; W232-M294 HydrophobicContact CZ2-CE 4.5Å; W232-M294 HydrophobicContact CZ3-CE 3.55Å; L275-M294 HydrophobicContact CB-SD 4.41Å; L275-M294 HydrophobicContact CD1-SD 4.29Å; L275-M294 HydrophobicContact CG-SD 3.91Å; F279-M294 HydrophobicContact CB-SD 4.49Å; F279-M294 HydrophobicContact CD2-CG 3.96Å; F279-M294 HydrophobicContact CD2-SD 3.9Å; F279-M294 HydrophobicContact CE2-CG 4.4Å; T282-M294 HydrophobicContact CG2-CB 4.17Å; T282-M294 HydrophobicContact CG2-CE 4.29Å; T282-M294 WeakPolarHBondContact OG1-CE 3.04Å; M283-M294 HydrophobicContact CE-CB 4.44Å; M283-M294 HydrophobicContact CE-CG 4.04Å; L290-M294 VanDerWaalsContact O-CB 3.26Å; L290-M294 WeakPolarHBondContact O-CB 3.46Å; L290-M294 PolarHBondContact O-N 3.3Å; Y291-M294 PolarHBondContact O-N 2.89Å; I292-M294 PolarHBondContact O-N 2.9Å; M294-Q297 PolarHBondContact O-N 3.31Å; M294-I298 HydrophobicContact CG-CD1 3.98Å; M294-I298 VanDerWaalsContact O-CG1 3.31Å; M294-I298 WeakPolarHBondContact O-CG1 3.16Å; M294-I298 PolarHBondContact O-N 3.04Å; M294-I298 HydrophobicContact SD-CD1 4.22Å
295F95.5Very high93.7Very high91 Ų9152.9 Ų52.940%0.39925%0.249SC..Hα-helixtrans-72.8-35.3-179.3-73.4-64.1000112.4M283 Y291 I292 Q297 I298 I299M283-F295 HydrophobicContact CE-CE2 4.01Å; M283-F295 HydrophobicContact CE-CZ 4.12Å; M283-F295 HydrophobicContact SD-CE2 4.28Å; M283-F295 HydrophobicContact SD-CZ 4.05Å; Y291-F295 WeakPolarHBondContact O-CB 3.4Å; Y291-F295 WeakPolarHBondContact O-CD2 3.2Å; Y291-F295 PolarHBondContact O-N 3.46Å; I292-F295 PolarHBondContact O-N 3.31Å; F295-Q297 PolarHBondContact O-N 3.08Å; F295-I298 HydrophobicContact CD1-CD1 4.23Å; F295-I298 PolarHBondContact O-N 3.06Å; F295-I299 HydrophobicContact CB-CD1 4.43Å; F295-I299 VanDerWaalsContact O-CB 3.28Å; F295-I299 WeakPolarHBondContact O-CB 3.4Å; F295-I299 WeakPolarHBondContact O-CD1 3.48Å; F295-I299 WeakPolarHBondContact O-CG1 3.27Å; F295-I299 PolarHBondContact O-N 2.77Å
296E93.9Very high93.6Very high28 Ų2853.3 Ų53.313%0.13125%0.25CC..Hα-helixtrans-54.3-45.4170.7178.5-176.7162.100110.4Y10 M14 W18 I292 S300Y10-E296 PolarHBondContact OH-O 2.9Å; M14-E296 VanDerWaalsContact CE-CD 3.41Å; M14-E296 HydrophobicContact CE-CG 3.63Å; M14-E296 WeakPolarHBondContact CE-OE1 3.43Å; M14-E296 HydrophobicContact SD-CG 4.47Å; W18-E296 WeakPolarHBondContact CZ2-OE1 3.4Å; I292-E296 WeakPolarHBondContact O-CB 3.5Å; I292-E296 PolarHBondContact O-N 3.27Å; E296-S300 VanDerWaalsContact O-CB 3.29Å; E296-S300 WeakPolarHBondContact O-CB 3.01Å; E296-S300 PolarHBondContact O-N 3.21Å; E296-S300 PolarHBondContact O-OG 2.54Å
297Q93.8Very high93.5Very high26 Ų2646.3 Ų46.312%0.12122%0.222CC..Hα-helixtrans-68.9-46.3179.1-167178.114.600112.6G271 L275 L293 M294 F295 I299 S300 I301G271-Q297 VanDerWaalsContact CA-NE2 3.26Å; G271-Q297 PolarHBondContact O-NE2 3.37Å; L275-Q297 HydrophobicContact CD1-CB 3.99Å; L275-Q297 HydrophobicContact CD1-CG 3.72Å; L293-Q297 PolarHBondContact O-N 3.03Å; L293-Q297 VanDerWaalsContact O-N 3.14Å; M294-Q297 PolarHBondContact O-N 3.31Å; F295-Q297 PolarHBondContact O-N 3.08Å; Q297-I299 PolarHBondContact O-N 3.36Å; Q297-S300 PolarHBondContact O-N 2.96Å; Q297-I301 HydrophobicContact CG-CD1 4.19Å; Q297-I301 WeakPolarHBondContact O-CD1 3.27Å; Q297-I301 VanDerWaalsContact O-CG1 3.27Å; Q297-I301 WeakPolarHBondContact O-CG1 3.34Å; Q297-I301 PolarHBondContact O-N 2.88Å
298I95.5Very high93.2Very high38 Ų3845 Ų4520%0.19522%0.221CC..Hα-helixtrans-58.5-49176.8-68.1166.3000110.6L275 F279 M294 F295 S300 I301 L302L275-I298 HydrophobicContact CD1-CB 4.49Å; L275-I298 HydrophobicContact CD1-CG1 3.53Å; L275-I298 HydrophobicContact CD2-CG1 4.48Å; L275-I298 HydrophobicContact CG-CG1 4.19Å; F279-I298 HydrophobicContact CD2-CD1 3.93Å; F279-I298 HydrophobicContact CE2-CD1 3.65Å; M294-I298 HydrophobicContact CG-CD1 3.98Å; M294-I298 VanDerWaalsContact O-CG1 3.31Å; M294-I298 WeakPolarHBondContact O-CG1 3.16Å; M294-I298 PolarHBondContact O-N 3.04Å; M294-I298 HydrophobicContact SD-CD1 4.22Å; F295-I298 HydrophobicContact CD1-CD1 4.23Å; F295-I298 PolarHBondContact O-N 3.06Å; I298-S300 VanDerWaalsContact C-N 3.33Å; I298-S300 PolarHBondContact O-N 3.42Å; I298-I301 PolarHBondContact O-N 3.18Å; I298-L302 HydrophobicContact CG2-CD1 3.79Å; I298-L302 HydrophobicContact CG2-CG 4.27Å; I298-L302 WeakPolarHBondContact O-CB 3.39Å; I298-L302 WeakPolarHBondContact O-CG 3.17Å; I298-L302 PolarHBondContact O-N 3.2Å
299I93.9Very high93Very high62 Ų6244.2 Ų44.232%0.31822%0.223SC..Hα-helixtrans-63.6-41.6-179.4-66165.7000110Y10 F295 Q297 I301 L302 W303Y10-I299 HydrophobicContact CD1-CG2 4.35Å; Y10-I299 HydrophobicContact CD2-CG2 3.63Å; Y10-I299 HydrophobicContact CE1-CG2 4.15Å; Y10-I299 HydrophobicContact CE2-CB 4.17Å; Y10-I299 HydrophobicContact CE2-CG2 3.4Å; Y10-I299 HydrophobicContact CG-CG2 4.1Å; F295-I299 HydrophobicContact CB-CD1 4.43Å; F295-I299 VanDerWaalsContact O-CB 3.28Å; F295-I299 WeakPolarHBondContact O-CB 3.4Å; F295-I299 WeakPolarHBondContact O-CD1 3.48Å; F295-I299 WeakPolarHBondContact O-CG1 3.27Å; F295-I299 PolarHBondContact O-N 2.77Å; Q297-I299 PolarHBondContact O-N 3.36Å; I299-I301 VanDerWaalsContact C-N 3.34Å; I299-I301 PolarHBondContact O-N 2.85Å; I299-L302 PolarHBondContact O-N 3.25Å; I299-W303 WeakPolarHBondContact O-CB 3.09Å; I299-W303 PolarHBondContact O-N 3.22Å
300S91.4Very high92.6Very high45 Ų4545 Ų4532%0.31522%0.222SC..Hα-helixtrans-58.8-43.8176.2-61.50000112.4Y10 E296 Q297 I298 V304Y10-S300 PolarHBondContact OH-OG 2.77Å; E296-S300 VanDerWaalsContact O-CB 3.29Å; E296-S300 WeakPolarHBondContact O-CB 3.01Å; E296-S300 PolarHBondContact O-N 3.21Å; E296-S300 PolarHBondContact O-OG 2.54Å; Q297-S300 PolarHBondContact O-N 2.96Å; I298-S300 VanDerWaalsContact C-N 3.33Å; I298-S300 PolarHBondContact O-N 3.42Å; S300-V304 WeakPolarHBondContact O-CG2 3.33Å; S300-V304 PolarHBondContact O-N 3.07Å
301I92.5Very high92Very high14 Ų1449.4 Ų49.47%0.07225%0.245CC..Hα-helixtrans-66-51.8178-64162.5000110.3H272 L275 Q297 I298 I299 W303 V304 Y305 V384 F388H272-I301 WeakPolarHBondContact CD2-CD1 3.13Å; H272-I301 WeakPolarHBondContact NE2-CD1 3.5Å; H272-I301 WeakPolarHBondContact NE2-CG1 3.47Å; L275-I301 HydrophobicContact CD1-CD1 3.87Å; Q297-I301 HydrophobicContact CG-CD1 4.19Å; Q297-I301 WeakPolarHBondContact O-CD1 3.27Å; Q297-I301 VanDerWaalsContact O-CG1 3.27Å; Q297-I301 WeakPolarHBondContact O-CG1 3.34Å; Q297-I301 PolarHBondContact O-N 2.88Å; I298-I301 PolarHBondContact O-N 3.18Å; I299-I301 VanDerWaalsContact C-N 3.34Å; I299-I301 PolarHBondContact O-N 2.85Å; I301-W303 VanDerWaalsContact C-N 3.27Å; I301-W303 PolarHBondContact O-N 2.74Å; I301-V304 PolarHBondContact O-N 3.13Å; I301-Y305 HydrophobicContact CG2-CD2 3.91Å; I301-Y305 HydrophobicContact CG2-CE2 3.74Å; I301-Y305 VanDerWaalsContact O-CD2 3.3Å; I301-Y305 WeakPolarHBondContact O-CD2 3.45Å; I301-Y305 PolarHBondContact O-N 2.89Å; I301-V384 HydrophobicContact CG2-CG1 4.17Å; I301-F388 HydrophobicContact CG2-CD2 4.48Å
302L93Very high91.6Very high96 Ų9648.4 Ų48.450%0.50325%0.251SS..Hα-helixtrans-59.3-41.2179.6-70.4177.4000111.3I298 I299 V304 Y305 I306I298-L302 HydrophobicContact CG2-CD1 3.79Å; I298-L302 HydrophobicContact CG2-CG 4.27Å; I298-L302 WeakPolarHBondContact O-CB 3.39Å; I298-L302 WeakPolarHBondContact O-CG 3.17Å; I298-L302 PolarHBondContact O-N 3.2Å; I299-L302 PolarHBondContact O-N 3.25Å; L302-V304 VanDerWaalsContact C-N 3.34Å; L302-V304 PolarHBondContact O-N 3.25Å; L302-Y305 PolarHBondContact O-N 2.65Å; L302-I306 HydrophobicContact CB-CD1 4.39Å; L302-I306 WeakPolarHBondContact O-CB 3.16Å; L302-I306 WeakPolarHBondContact O-CD1 3.47Å; L302-I306 WeakPolarHBondContact O-CG1 3.34Å; L302-I306 PolarHBondContact O-N 3.11Å
303W90.8Very high91.2Very high31 Ų3152.9 Ų52.912%0.11727%0.266CS..Hα-helixtrans-58.1-44.7177.4-178.393.2000111.4L7 Y10 P11 I299 I301 Y305 I306 V307 W377L7-W303 WeakPolarHBondContact O-CZ2 3.41Å; L7-W303 PolarHBondContact O-NE1 3.24Å; Y10-W303 HydrophobicContact CD1-CB 4.1Å; Y10-W303 AromaticContact CD1-CD1 3.69Å; Y10-W303 HydrophobicContact CD1-CD2 4.25Å; Y10-W303 AromaticContact CD1-CG 3.75Å; Y10-W303 HydrophobicContact CD1-CG 3.75Å; Y10-W303 HydrophobicContact CE1-CB 4.39Å; Y10-W303 HydrophobicContact CE1-CG 4.41Å; P11-W303 HydrophobicContact CG-CZ2 3.91Å; I299-W303 WeakPolarHBondContact O-CB 3.09Å; I299-W303 PolarHBondContact O-N 3.22Å; I301-W303 VanDerWaalsContact C-N 3.27Å; I301-W303 PolarHBondContact O-N 2.74Å; W303-Y305 PolarHBondContact O-N 3.48Å; W303-I306 PolarHBondContact O-N 2.88Å; W303-V307 HydrophobicContact CD2-CG2 3.87Å; W303-V307 HydrophobicContact CE3-CG2 4.09Å; W303-V307 HydrophobicContact CH2-CG2 3.94Å; W303-V307 HydrophobicContact CZ2-CG2 3.7Å; W303-V307 HydrophobicContact CZ3-CG2 4.12Å; W303-V307 VanDerWaalsContact O-CG2 3.28Å; W303-V307 WeakPolarHBondContact O-CG2 3.32Å; W303-V307 PolarHBondContact O-N 2.92Å; W303-W377 HydrophobicContact CE3-CZ3 4.25Å; W303-W377 AromaticContact CH2-CE3 3.89Å; W303-W377 HydrophobicContact CH2-CE3 3.89Å; W303-W377 AromaticContact CH2-CZ3 3.89Å; W303-W377 HydrophobicContact CH2-CZ3 3.89Å; W303-W377 AromaticContact CZ3-CE3 3.7Å; W303-W377 HydrophobicContact CZ3-CE3 3.7Å; W303-W377 AromaticContact CZ3-CZ3 3.61Å; W303-W377 HydrophobicContact CZ3-CZ3 3.61Å
304V90.5Very high90.6Very high11 Ų1155 Ų557%0.06728%0.276CS..Hα-helixtrans-58.8-50.4175.7168.20000111.4S300 I301 L302 I306 V307 L308 A381 V384S300-V304 WeakPolarHBondContact O-CG2 3.33Å; S300-V304 PolarHBondContact O-N 3.07Å; I301-V304 PolarHBondContact O-N 3.13Å; L302-V304 VanDerWaalsContact C-N 3.34Å; L302-V304 PolarHBondContact O-N 3.25Å; V304-I306 VanDerWaalsContact C-N 3.32Å; V304-I306 PolarHBondContact O-N 2.71Å; V304-V307 PolarHBondContact O-N 3.34Å; V304-L308 HydrophobicContact CG1-CD1 3.91Å; V304-L308 VanDerWaalsContact O-CG 3.31Å; V304-L308 WeakPolarHBondContact O-CG 3.5Å; V304-L308 PolarHBondContact O-N 3.26Å; V304-L308 VanDerWaalsContact O-N 3.08Å; V304-A381 HydrophobicContact CG1-CB 3.84Å; V304-A381 HydrophobicContact CG2-CB 4.42Å; V304-V384 HydrophobicContact CB-CG1 4.31Å; V304-V384 HydrophobicContact CG1-CB 4.26Å; V304-V384 HydrophobicContact CG1-CG1 4.17Å
305Y91.5Very high90Very high68 Ų6862.4 Ų62.427%0.26731%0.309SS..Hα-helixtrans-62.1-41.5179.2-78.6-75.6000112I301 L302 W303 L308 L309 V384 L385I301-Y305 HydrophobicContact CG2-CD2 3.91Å; I301-Y305 HydrophobicContact CG2-CE2 3.74Å; I301-Y305 VanDerWaalsContact O-CD2 3.3Å; I301-Y305 WeakPolarHBondContact O-CD2 3.45Å; I301-Y305 PolarHBondContact O-N 2.89Å; L302-Y305 PolarHBondContact O-N 2.65Å; W303-Y305 PolarHBondContact O-N 3.48Å; Y305-L308 PolarHBondContact O-N 2.85Å; Y305-L309 WeakPolarHBondContact O-CB 3.29Å; Y305-L309 VanDerWaalsContact O-CG 3.27Å; Y305-L309 WeakPolarHBondContact O-CG 3.35Å; Y305-L309 PolarHBondContact O-N 3Å; Y305-V384 HydrophobicContact CE2-CG1 4.31Å; Y305-L385 HydrophobicContact CD1-CD2 3.9Å; Y305-L385 HydrophobicContact CE1-CD2 3.43Å; Y305-L385 VanDerWaalsContact CE1-CD2 3.43Å
306I90.7Very high89.7Confident48 Ų4864.9 Ų64.925%0.24633%0.325CS..Hα-helixtrans-63.8-45.4178.6-71166.2000111.2F3 L7 L302 W303 V304 L308 L309 Y310F3-I306 HydrophobicContact CE1-CG2 3.82Å; F3-I306 HydrophobicContact CE2-CG2 4.07Å; F3-I306 HydrophobicContact CZ-CG2 3.28Å; L7-I306 HydrophobicContact CD2-CG2 3.78Å; L302-I306 HydrophobicContact CB-CD1 4.39Å; L302-I306 WeakPolarHBondContact O-CB 3.16Å; L302-I306 WeakPolarHBondContact O-CD1 3.47Å; L302-I306 WeakPolarHBondContact O-CG1 3.34Å; L302-I306 PolarHBondContact O-N 3.11Å; W303-I306 PolarHBondContact O-N 2.88Å; V304-I306 VanDerWaalsContact C-N 3.32Å; V304-I306 PolarHBondContact O-N 2.71Å; I306-L308 VanDerWaalsContact C-N 3.31Å; I306-L308 PolarHBondContact O-N 3.05Å; I306-L309 PolarHBondContact O-N 2.86Å; I306-Y310 VanDerWaalsContact O-CB 3.3Å; I306-Y310 WeakPolarHBondContact O-CB 3.28Å; I306-Y310 PolarHBondContact O-N 3.13Å
307V86.2Confident89.2Confident31 Ų3166.3 Ų66.319%0.18834%0.336CS..Hα-helixtrans-57.7-46.1176168.60000110.4L7 W303 V304 Y310 L311L7-V307 HydrophobicContact CD1-CG2 4.49Å; L7-V307 HydrophobicContact CD2-CB 4.46Å; L7-V307 HydrophobicContact CD2-CG2 3.45Å; L7-V307 VanDerWaalsContact CD2-CG2 3.45Å; L7-V307 HydrophobicContact CG-CG2 4.4Å; W303-V307 HydrophobicContact CD2-CG2 3.87Å; W303-V307 HydrophobicContact CE3-CG2 4.09Å; W303-V307 HydrophobicContact CH2-CG2 3.94Å; W303-V307 HydrophobicContact CZ2-CG2 3.7Å; W303-V307 HydrophobicContact CZ3-CG2 4.12Å; W303-V307 VanDerWaalsContact O-CG2 3.28Å; W303-V307 WeakPolarHBondContact O-CG2 3.32Å; W303-V307 PolarHBondContact O-N 2.92Å; V304-V307 PolarHBondContact O-N 3.34Å; V307-Y310 PolarHBondContact O-N 3.38Å; V307-L311 HydrophobicContact CG1-CD1 3.93Å; V307-L311 HydrophobicContact CG1-CG 4.33Å; V307-L311 WeakPolarHBondContact O-CB 3.31Å; V307-L311 VanDerWaalsContact O-CG 3.3Å; V307-L311 WeakPolarHBondContact O-CG 3.46Å; V307-L311 PolarHBondContact O-N 2.62Å
308L88Confident88.7Confident64 Ų6466.1 Ų66.134%0.33534%0.339SS..Hα-helixtrans-67.9-41.9-178.1-68.8168000112.8V304 Y305 I306 Y310 L311 G312 L385V304-L308 HydrophobicContact CG1-CD1 3.91Å; V304-L308 VanDerWaalsContact O-CG 3.31Å; V304-L308 WeakPolarHBondContact O-CG 3.5Å; V304-L308 PolarHBondContact O-N 3.26Å; V304-L308 VanDerWaalsContact O-N 3.08Å; Y305-L308 PolarHBondContact O-N 2.85Å; I306-L308 VanDerWaalsContact C-N 3.31Å; I306-L308 PolarHBondContact O-N 3.05Å; L308-Y310 VanDerWaalsContact C-N 3.29Å; L308-Y310 PolarHBondContact O-N 3.31Å; L308-L311 PolarHBondContact O-N 3.18Å; L308-G312 PolarHBondContact O-N 3.41Å; L308-L385 HydrophobicContact CD1-CD1 3.54Å; L308-L385 HydrophobicContact CD1-CD2 3.57Å; L308-L385 HydrophobicContact CD1-CG 3.71Å
309L90.1Very high88.1Confident129 Ų12968.2 Ų68.268%0.67535%0.351SS*.Hα-helixtrans-62.1-40174-71.7173.1000111.2Y305 I306 G312 Y313Y305-L309 WeakPolarHBondContact O-CB 3.29Å; Y305-L309 VanDerWaalsContact O-CG 3.27Å; Y305-L309 WeakPolarHBondContact O-CG 3.35Å; Y305-L309 PolarHBondContact O-N 3Å; I306-L309 PolarHBondContact O-N 2.86Å; L309-G312 PolarHBondContact O-N 2.98Å; L309-Y313 WeakPolarHBondContact O-CB 3.29Å; L309-Y313 PolarHBondContact O-N 3.13Å
310Y86.2Confident87.3Confident53 Ų5371.6 Ų71.621%0.20836%0.363CS..Hα-helixtrans-66.7-43.2176.5-178.8-110.1000112.5F3 F4 L7 I306 V307 L308 G312 Y313 L314F3-Y310 HydrophobicContact CD1-CD2 4.05Å; F3-Y310 HydrophobicContact CD1-CE2 4.4Å; F3-Y310 AromaticContact CE1-CD2 3.95Å; F3-Y310 HydrophobicContact CE1-CD2 3.95Å; F3-Y310 HydrophobicContact CE1-CG 4.2Å; F4-Y310 AromaticContact CD2-CE1 3.86Å; F4-Y310 HydrophobicContact CD2-CE1 3.86Å; F4-Y310 HydrophobicContact CE2-CE1 4.16Å; L7-Y310 HydrophobicContact CD1-CD1 3.59Å; L7-Y310 HydrophobicContact CD1-CE1 4.12Å; L7-Y310 HydrophobicContact CD1-CG 4Å; I306-Y310 VanDerWaalsContact O-CB 3.3Å; I306-Y310 WeakPolarHBondContact O-CB 3.28Å; I306-Y310 PolarHBondContact O-N 3.13Å; V307-Y310 PolarHBondContact O-N 3.38Å; L308-Y310 VanDerWaalsContact C-N 3.29Å; L308-Y310 PolarHBondContact O-N 3.31Å; Y310-G312 VanDerWaalsContact C-N 3.33Å; Y310-G312 PolarHBondContact O-N 3.2Å; Y310-Y313 PolarHBondContact O-N 2.72Å; Y310-L314 HydrophobicContact CD1-CD1 3.95Å; Y310-L314 HydrophobicContact CD1-CG 4.38Å; Y310-L314 HydrophobicContact CE1-CD1 3.37Å; Y310-L314 HydrophobicContact CE1-CG 3.97Å; Y310-L314 HydrophobicContact CE2-CD1 4.48Å; Y310-L314 HydrophobicContact CE2-CD2 4.35Å; Y310-L314 HydrophobicContact CE2-CG 4.21Å; Y310-L314 WeakPolarHBondContact O-CG 2.93Å; Y310-L314 PolarHBondContact O-N 3.08Å
311L84.8Confident86.9Confident95 Ų9577.4 Ų77.450%0.49739%0.39SS..Hα-helixtrans-62.4-40.9174.3-71.2174.8000111.5V307 L308 L314 F315V307-L311 HydrophobicContact CG1-CD1 3.93Å; V307-L311 HydrophobicContact CG1-CG 4.33Å; V307-L311 WeakPolarHBondContact O-CB 3.31Å; V307-L311 VanDerWaalsContact O-CG 3.3Å; V307-L311 WeakPolarHBondContact O-CG 3.46Å; V307-L311 PolarHBondContact O-N 2.62Å; L308-L311 PolarHBondContact O-N 3.18Å; L311-L314 PolarHBondContact O-N 3.02Å; L311-F315 WeakPolarHBondContact O-CB 3.49Å; L311-F315 PolarHBondContact O-N 2.83Å
312G87.5Confident86.5Confident33 Ų3379.8 Ų79.834%0.3440%0.402SS..Hα-helixtrans-62.8-43.817400000112.6L308 L309 Y310 F315 I316L308-G312 PolarHBondContact O-N 3.41Å; L309-G312 PolarHBondContact O-N 2.98Å; Y310-G312 VanDerWaalsContact C-N 3.33Å; Y310-G312 PolarHBondContact O-N 3.2Å; G312-F315 PolarHBondContact O-N 3.48Å; G312-I316 VanDerWaalsContact O-CG1 3.32Å; G312-I316 WeakPolarHBondContact O-CG1 3.26Å; G312-I316 PolarHBondContact O-N 2.63Å
313Y87.2Confident86Confident143 Ų14384.1 Ų84.156%0.56141%0.413SS*.Hα-helixtrans-59.9-49.7173.8170.9-96.6000111.7L309 Y310 F315 I316 T317L309-Y313 WeakPolarHBondContact O-CB 3.29Å; L309-Y313 PolarHBondContact O-N 3.13Å; Y310-Y313 PolarHBondContact O-N 2.72Å; Y313-F315 VanDerWaalsContact C-N 3.27Å; Y313-F315 PolarHBondContact O-N 2.95Å; Y313-I316 PolarHBondContact O-N 3.42Å; Y313-I316 VanDerWaalsContact O-N 3.15Å; Y313-T317 HydrophobicContact CD2-CG2 4.01Å; Y313-T317 HydrophobicContact CE1-CG2 4.25Å; Y313-T317 HydrophobicContact CE2-CG2 3.55Å; Y313-T317 PolarHBondContact O-N 3.45Å; Y313-T317 PolarHBondContact O-OG1 3.34Å
314L83.5Confident85.6Confident48 Ų4887.5 Ų87.525%0.25144%0.438SS..Hα-helixtrans-56.7-43.4177.1-76.6-179.1000111.3Y310 L311 I316 T317 A318Y310-L314 HydrophobicContact CD1-CD1 3.95Å; Y310-L314 HydrophobicContact CD1-CG 4.38Å; Y310-L314 HydrophobicContact CE1-CD1 3.37Å; Y310-L314 HydrophobicContact CE1-CG 3.97Å; Y310-L314 HydrophobicContact CE2-CD1 4.48Å; Y310-L314 HydrophobicContact CE2-CD2 4.35Å; Y310-L314 HydrophobicContact CE2-CG 4.21Å; Y310-L314 WeakPolarHBondContact O-CG 2.93Å; Y310-L314 PolarHBondContact O-N 3.08Å; L311-L314 PolarHBondContact O-N 3.02Å; L314-I316 PolarHBondContact O-N 2.9Å; L314-T317 PolarHBondContact O-N 3.39Å; L314-A318 WeakPolarHBondContact O-CA 3.45Å; L314-A318 WeakPolarHBondContact O-CB 3.49Å; L314-A318 PolarHBondContact O-N 3.49Å
315F84.6Confident85.2Confident156 Ų15689.6 Ų89.668%0.68445%0.446SS*.Hα-helixtrans-61.6-41.6177.8-176.8-99.7000112.7L311 G312 Y313L311-F315 WeakPolarHBondContact O-CB 3.49Å; L311-F315 PolarHBondContact O-N 2.83Å; G312-F315 PolarHBondContact O-N 3.48Å; Y313-F315 VanDerWaalsContact C-N 3.27Å; Y313-F315 PolarHBondContact O-N 2.95Å
316I87.2Confident84.6Confident143 Ų14390 Ų9073%0.73345%0.452SS*.Hα-helixtrans-70-39.7178.9-67.3165.3000111.6G312 Y313 L314G312-I316 VanDerWaalsContact O-CG1 3.32Å; G312-I316 WeakPolarHBondContact O-CG1 3.26Å; G312-I316 PolarHBondContact O-N 2.63Å; Y313-I316 PolarHBondContact O-N 3.42Å; Y313-I316 VanDerWaalsContact O-N 3.15Å; L314-I316 PolarHBondContact O-N 2.9Å
317T85.4Confident84.2Confident58 Ų5890.5 Ų90.536%0.35646%0.457SS..Hα-helixtrans-90.6-0.5-177.162.40000114.3Y313 L314 N319Y313-T317 HydrophobicContact CD2-CG2 4.01Å; Y313-T317 HydrophobicContact CE1-CG2 4.25Å; Y313-T317 HydrophobicContact CE2-CG2 3.55Å; Y313-T317 PolarHBondContact O-N 3.45Å; Y313-T317 PolarHBondContact O-OG1 3.34Å; L314-T317 PolarHBondContact O-N 3.39Å; T317-N319 PolarHBondContact O-N 3.09Å
318A81.6Confident83.9Confident23 Ų2394.6 Ų94.619%0.1947%0.47CS..  trans-64.1110.9-174.200000110.7L314 F320 F325L314-A318 WeakPolarHBondContact O-CA 3.45Å; L314-A318 WeakPolarHBondContact O-CB 3.49Å; L314-A318 PolarHBondContact O-N 3.49Å; A318-F320 HydrophobicContact CB-CD1 4.35Å; A318-F320 HydrophobicContact CB-CD2 3.91Å; A318-F320 HydrophobicContact CB-CE1 3.9Å; A318-F320 HydrophobicContact CB-CE2 3.41Å; A318-F320 VanDerWaalsContact CB-CE2 3.41Å; A318-F320 HydrophobicContact CB-CG 4.36Å; A318-F320 HydrophobicContact CB-CZ 3.41Å; A318-F320 VanDerWaalsContact CB-CZ 3.41Å; A318-F320 PolarHBondContact O-N 2.76Å; A318-F325 HydrophobicContact CB-CE1 4.22Å
319N82.5Confident83.5Confident82 Ų8293.3 Ų93.344%0.43947%0.466SS..  trans-87.281.9166.8-169.9-2.6000109T317 L321 D322T317-N319 PolarHBondContact O-N 3.09Å; N319-L321 PolarHBondContact O-N 3.19Å; N319-L321 PolarHBondContact OD1-N 3.47Å; N319-D322 HydrophobicContact CB-CB 4.03Å; N319-D322 WeakPolarHBondContact ND2-CB 3.38Å; N319-D322 PolarHBondContact O-N 3.31Å; N319-D322 PolarHBondContact OD1-N 3.4Å
320F78.4Confident82.9Confident133 Ų13393 Ų9358%0.58346%0.46SS*.THydrogen-bonded Turntrans-61.2-13.4-179.5-63.8-74.9000113.9A318 M326A318-F320 HydrophobicContact CB-CD1 4.35Å; A318-F320 HydrophobicContact CB-CD2 3.91Å; A318-F320 HydrophobicContact CB-CE1 3.9Å; A318-F320 HydrophobicContact CB-CE2 3.41Å; A318-F320 VanDerWaalsContact CB-CE2 3.41Å; A318-F320 HydrophobicContact CB-CG 4.36Å; A318-F320 HydrophobicContact CB-CZ 3.41Å; A318-F320 VanDerWaalsContact CB-CZ 3.41Å; A318-F320 PolarHBondContact O-N 2.76Å; F320-M326 HydrophobicContact CD1-CE 4.32Å; F320-M326 HydrophobicContact CD1-SD 3.85Å
321L82.2Confident82.7Confident167 Ų16793.7 Ų93.787%0.87447%0.472SS*.THydrogen-bonded Turntrans-91.6-15.7176.5-60.3177.5000113.2N319 Y323N319-L321 PolarHBondContact O-N 3.19Å; N319-L321 PolarHBondContact OD1-N 3.47Å; L321-Y323 PolarHBondContact O-N 2.93Å
322D84Confident82.5Confident63 Ų6390.9 Ų90.934%0.33746%0.457SS..  trans-85.2104.1175.4178.4-3.7000110N319 T324 F325 M326N319-D322 HydrophobicContact CB-CB 4.03Å; N319-D322 WeakPolarHBondContact ND2-CB 3.38Å; N319-D322 PolarHBondContact O-N 3.31Å; N319-D322 PolarHBondContact OD1-N 3.4Å; D322-T324 PolarHBondContact O-N 2.75Å; D322-T324 WeakPolarHBondContact OD1-CA 3.4Å; D322-T324 WeakPolarHBondContact OD1-CB 3.21Å; D322-T324 PolarHBondContact OD1-N 2.89Å; D322-F325 HydrophobicContact CB-CB 3.83Å; D322-F325 PolarHBondContact O-N 2.93Å; D322-F325 PolarHBondContact OD1-N 2.84Å; D322-M326 WeakPolarHBondContact O-CG 3.41Å; D322-M326 PolarHBondContact O-N 3.27Å
323Y82.6Confident82.2Confident187 Ų18795.3 Ų95.373%0.73347%0.467SS*.Hα-helixtrans-56-36.3177.7179-97.3000113.1L321 M326 T327L321-Y323 PolarHBondContact O-N 2.93Å; Y323-M326 PolarHBondContact O-N 3.03Å; Y323-T327 WeakPolarHBondContact O-CB 3.31Å; Y323-T327 PolarHBondContact O-N 3.38Å; Y323-T327 PolarHBondContact O-OG1 3.05Å
324T83.7Confident81.8Confident103 Ų10391.3 Ų91.363%0.63246%0.455SS*.Hα-helixtrans-70-45.7-179.4-500000110.2D322 M326 T327 Y328D322-T324 PolarHBondContact O-N 2.75Å; D322-T324 WeakPolarHBondContact OD1-CA 3.4Å; D322-T324 WeakPolarHBondContact OD1-CB 3.21Å; D322-T324 PolarHBondContact OD1-N 2.89Å; T324-M326 PolarHBondContact O-N 3.42Å; T324-T327 PolarHBondContact O-N 3.07Å; T324-Y328 VanDerWaalsContact O-CB 3.31Å; T324-Y328 WeakPolarHBondContact O-CB 3.39Å; T324-Y328 PolarHBondContact O-N 3.17Å
325F80.6Confident81.9Confident54 Ų5494.5 Ų94.524%0.23747%0.472CS..Hα-helixtrans-59.4-45.5174.2175.2-96.3000111.8A318 D322 S329A318-F325 HydrophobicContact CB-CE1 4.22Å; D322-F325 HydrophobicContact CB-CB 3.83Å; D322-F325 PolarHBondContact O-N 2.93Å; D322-F325 PolarHBondContact OD1-N 2.84Å; F325-S329 VanDerWaalsContact O-CB 3.25Å; F325-S329 WeakPolarHBondContact O-CB 3.35Å; F325-S329 PolarHBondContact O-N 3.01Å; F325-S329 PolarHBondContact O-OG 3.27Å
326M79.3Confident81.7Confident78 Ų7887.6 Ų87.638%0.38444%0.443SS..Hα-helixtrans-62-48.5178.2-75.9-65.4-72.400111.7F320 D322 Y323 T324 Y328 S329 F330F320-M326 HydrophobicContact CD1-CE 4.32Å; F320-M326 HydrophobicContact CD1-SD 3.85Å; D322-M326 WeakPolarHBondContact O-CG 3.41Å; D322-M326 PolarHBondContact O-N 3.27Å; Y323-M326 PolarHBondContact O-N 3.03Å; T324-M326 PolarHBondContact O-N 3.42Å; M326-Y328 PolarHBondContact O-N 3.45Å; M326-S329 PolarHBondContact O-N 3.21Å; M326-F330 WeakPolarHBondContact O-CB 3.26Å; M326-F330 PolarHBondContact O-N 2.82Å
327T82Confident81.4Confident58 Ų5882.8 Ų82.836%0.35642%0.422SS..Hα-helixtrans-61.3-46.7179.4-54.30000111.1Y323 T324 F330 S331Y323-T327 WeakPolarHBondContact O-CB 3.31Å; Y323-T327 PolarHBondContact O-N 3.38Å; Y323-T327 PolarHBondContact O-OG1 3.05Å; T324-T327 PolarHBondContact O-N 3.07Å; T327-F330 PolarHBondContact O-N 3.19Å; T327-S331 WeakPolarHBondContact O-CB 3Å; T327-S331 PolarHBondContact O-N 3.48Å; T327-S331 PolarHBondContact O-OG 2.83Å
328Y81.3Confident81.4Confident117 Ų11786.8 Ų86.846%0.45944%0.435SS..Hα-helixtrans-63.2-48.2178.7177.4-100.9000112.6T324 M326 F330 S331 I332T324-Y328 VanDerWaalsContact O-CB 3.31Å; T324-Y328 WeakPolarHBondContact O-CB 3.39Å; T324-Y328 PolarHBondContact O-N 3.17Å; M326-Y328 PolarHBondContact O-N 3.45Å; Y328-F330 VanDerWaalsContact C-N 3.32Å; Y328-F330 PolarHBondContact O-N 3.42Å; Y328-S331 PolarHBondContact O-N 3.03Å; Y328-I332 HydrophobicContact CD1-CD1 4Å; Y328-I332 HydrophobicContact CD2-CD1 4.34Å; Y328-I332 HydrophobicContact CE1-CD1 3.37Å; Y328-I332 HydrophobicContact CE2-CD1 3.76Å; Y328-I332 HydrophobicContact CE2-CG1 4.48Å; Y328-I332 HydrophobicContact CG-CD1 4.46Å; Y328-I332 WeakPolarHBondContact O-CG1 2.91Å; Y328-I332 PolarHBondContact O-N 3.35Å; Y328-I332 WeakPolarHBondContact OH-CD1 3.4Å
329S78.4Confident81.6Confident36 Ų3688.3 Ų88.325%0.25244%0.441SS..Hα-helixtrans-62.9-40.6179.5-60.40000111.5F325 M326 F333F325-S329 VanDerWaalsContact O-CB 3.25Å; F325-S329 WeakPolarHBondContact O-CB 3.35Å; F325-S329 PolarHBondContact O-N 3.01Å; F325-S329 PolarHBondContact O-OG 3.27Å; M326-S329 PolarHBondContact O-N 3.21Å; S329-F333 WeakPolarHBondContact O-CB 3.3Å; S329-F333 PolarHBondContact O-N 3.24Å
330F78.6Confident81.7Confident124 Ų12485.8 Ų85.854%0.54443%0.427SS..Hα-helixtrans-66.5-44177-174-109.6000112.2M326 T327 Y328 I332 F333 L334M326-F330 WeakPolarHBondContact O-CB 3.26Å; M326-F330 PolarHBondContact O-N 2.82Å; T327-F330 PolarHBondContact O-N 3.19Å; Y328-F330 VanDerWaalsContact C-N 3.32Å; Y328-F330 PolarHBondContact O-N 3.42Å; F330-I332 VanDerWaalsContact C-N 3.34Å; F330-I332 PolarHBondContact O-N 3.36Å; F330-F333 PolarHBondContact O-N 3.14Å; F330-L334 HydrophobicContact CD1-CD1 3.71Å; F330-L334 HydrophobicContact CD1-CG 4.23Å; F330-L334 HydrophobicContact CE1-CD1 3.22Å; F330-L334 HydrophobicContact CE1-CG 3.92Å; F330-L334 HydrophobicContact CE2-CD1 4.37Å; F330-L334 HydrophobicContact CE2-CD2 4.4Å; F330-L334 HydrophobicContact CE2-CG 4.22Å; F330-L334 HydrophobicContact CG-CD1 4.47Å; F330-L334 HydrophobicContact CZ-CD1 3.6Å; F330-L334 HydrophobicContact CZ-CD2 4.11Å; F330-L334 HydrophobicContact CZ-CG 3.9Å; F330-L334 WeakPolarHBondContact O-CB 3.44Å; F330-L334 WeakPolarHBondContact O-CG 3.4Å; F330-L334 PolarHBondContact O-N 3.26Å
331S82.3Confident81.9Confident66 Ų6681.7 Ų81.746%0.46241%0.414SS..Hα-helixtrans-59.9-43.6176.1-64.80000112.3T327 Y328 L334 L335T327-S331 WeakPolarHBondContact O-CB 3Å; T327-S331 PolarHBondContact O-N 3.48Å; T327-S331 PolarHBondContact O-OG 2.83Å; Y328-S331 PolarHBondContact O-N 3.03Å; S331-L334 PolarHBondContact O-N 3.22Å; S331-L335 WeakPolarHBondContact O-CB 3Å; S331-L335 PolarHBondContact O-N 2.93Å
332I80.5Confident82.1Confident36 Ų3680.6 Ų80.619%0.18540%0.402CS..Hα-helixtrans-64.1-46.9176.9-76.4-176.2000111F4 Y328 F330 L334 L335 S336F4-I332 HydrophobicContact CD1-CG2 3.67Å; F4-I332 HydrophobicContact CD2-CG2 3.89Å; F4-I332 HydrophobicContact CE1-CG2 3.2Å; F4-I332 HydrophobicContact CE2-CG2 3.44Å; F4-I332 VanDerWaalsContact CE2-CG2 3.44Å; F4-I332 HydrophobicContact CG-CG2 3.99Å; F4-I332 HydrophobicContact CZ-CB 4.5Å; F4-I332 HydrophobicContact CZ-CG2 3.07Å; Y328-I332 HydrophobicContact CD1-CD1 4Å; Y328-I332 HydrophobicContact CD2-CD1 4.34Å; Y328-I332 HydrophobicContact CE1-CD1 3.37Å; Y328-I332 HydrophobicContact CE2-CD1 3.76Å; Y328-I332 HydrophobicContact CE2-CG1 4.48Å; Y328-I332 HydrophobicContact CG-CD1 4.46Å; Y328-I332 WeakPolarHBondContact O-CG1 2.91Å; Y328-I332 PolarHBondContact O-N 3.35Å; Y328-I332 WeakPolarHBondContact OH-CD1 3.4Å; F330-I332 VanDerWaalsContact C-N 3.34Å; F330-I332 PolarHBondContact O-N 3.36Å; I332-L334 VanDerWaalsContact C-N 3.35Å; I332-L334 PolarHBondContact O-N 3.42Å; I332-L335 PolarHBondContact O-N 3.25Å; I332-S336 WeakPolarHBondContact O-CB 3.5Å; I332-S336 PolarHBondContact O-N 3.15Å; I332-S336 PolarHBondContact O-OG 3.14Å
333F79.3Confident82.3Confident126 Ų12678.5 Ų78.555%0.55339%0.39SS*.Hα-helixtrans-59.8-44.4177.2175.8-96.6000112.1S329 F330 S336 S337S329-F333 WeakPolarHBondContact O-CB 3.3Å; S329-F333 PolarHBondContact O-N 3.24Å; F330-F333 PolarHBondContact O-N 3.14Å; F333-S336 WeakPolarHBondContact O-CB 3.09Å; F333-S336 PolarHBondContact O-N 3.32Å; F333-S337 WeakPolarHBondContact O-CB 3.32Å; F333-S337 PolarHBondContact O-N 3.23Å; F333-S337 PolarHBondContact O-OG 3.31Å
334L80.6Confident82.5Confident59 Ų5969.9 Ų69.931%0.30936%0.357SS..Hα-helixtrans-63.3-52.2177-78.9-177.2000111.9F330 S331 I332 S336 S337 F338F330-L334 HydrophobicContact CD1-CD1 3.71Å; F330-L334 HydrophobicContact CD1-CG 4.23Å; F330-L334 HydrophobicContact CE1-CD1 3.22Å; F330-L334 HydrophobicContact CE1-CG 3.92Å; F330-L334 HydrophobicContact CE2-CD1 4.37Å; F330-L334 HydrophobicContact CE2-CD2 4.4Å; F330-L334 HydrophobicContact CE2-CG 4.22Å; F330-L334 HydrophobicContact CG-CD1 4.47Å; F330-L334 HydrophobicContact CZ-CD1 3.6Å; F330-L334 HydrophobicContact CZ-CD2 4.11Å; F330-L334 HydrophobicContact CZ-CG 3.9Å; F330-L334 WeakPolarHBondContact O-CB 3.44Å; F330-L334 WeakPolarHBondContact O-CG 3.4Å; F330-L334 PolarHBondContact O-N 3.26Å; S331-L334 PolarHBondContact O-N 3.22Å; I332-L334 VanDerWaalsContact C-N 3.35Å; I332-L334 PolarHBondContact O-N 3.42Å; L334-S336 PolarHBondContact O-N 3.15Å; L334-S336 VanDerWaalsContact O-N 3.17Å; L334-S337 PolarHBondContact O-N 3Å; L334-S337 VanDerWaalsContact O-N 3.13Å; L334-F338 HydrophobicContact CB-CD2 4.25Å; L334-F338 HydrophobicContact CB-CE2 4.19Å; L334-F338 HydrophobicContact CD2-CE2 4.09Å; L334-F338 WeakPolarHBondContact O-CD2 3.36Å; L334-F338 PolarHBondContact O-N 2.82Å
335L84.3Confident82.5Confident115 Ų11567.2 Ų67.260%0.60234%0.341SS*.Hα-helixtrans-54.2-39.5179.2178.461.5000111.2S331 I332 T339S331-L335 WeakPolarHBondContact O-CB 3Å; S331-L335 PolarHBondContact O-N 2.93Å; I332-L335 PolarHBondContact O-N 3.25Å; L335-T339 WeakPolarHBondContact O-CB 3.43Å; L335-T339 PolarHBondContact O-N 3.28Å; L335-T339 PolarHBondContact O-OG1 3.2Å
336S81.5Confident82.9Confident11 Ų1167.6 Ų67.68%0.07735%0.345CS..Hα-helixtrans-66.6-49.4178.9-56.80000112.7F4 L8 I332 F333 L334 F338 T339 M340F4-S336 WeakPolarHBondContact CE1-OG 3.37Å; F4-S336 WeakPolarHBondContact CZ-OG 3.37Å; L8-S336 WeakPolarHBondContact CD1-OG 3.39Å; L8-S336 VanDerWaalsContact CD2-CB 3.42Å; I332-S336 WeakPolarHBondContact O-CB 3.5Å; I332-S336 PolarHBondContact O-N 3.15Å; I332-S336 PolarHBondContact O-OG 3.14Å; F333-S336 WeakPolarHBondContact O-CB 3.09Å; F333-S336 PolarHBondContact O-N 3.32Å; L334-S336 PolarHBondContact O-N 3.15Å; L334-S336 VanDerWaalsContact O-N 3.17Å; S336-F338 VanDerWaalsContact C-N 3.34Å; S336-F338 PolarHBondContact O-N 3.39Å; S336-T339 PolarHBondContact O-N 2.78Å; S336-M340 VanDerWaalsContact O-CB 3.32Å; S336-M340 WeakPolarHBondContact O-CB 3.43Å; S336-M340 VanDerWaalsContact O-CG 3.3Å; S336-M340 WeakPolarHBondContact O-CG 3.5Å; S336-M340 PolarHBondContact O-N 3.33Å
337S81.3Confident83.3Confident43 Ų4364 Ų6430%0.30133%0.327SS..Hα-helixtrans-61-45.4178.8-58.20000110.3F333 L334 M340 T341F333-S337 WeakPolarHBondContact O-CB 3.32Å; F333-S337 PolarHBondContact O-N 3.23Å; F333-S337 PolarHBondContact O-OG 3.31Å; L334-S337 PolarHBondContact O-N 3Å; L334-S337 VanDerWaalsContact O-N 3.13Å; S337-M340 PolarHBondContact O-N 3.09Å; S337-T341 WeakPolarHBondContact O-CB 3.35Å; S337-T341 PolarHBondContact O-N 2.67Å; S337-T341 PolarHBondContact O-OG1 3.42Å
338F84.7Confident83.5Confident142 Ų14261.2 Ų61.262%0.62331%0.31SS*.Hα-helixtrans-62.8-45.9176.5-77.5-62000112.6L334 S336 M340 T341 F342L334-F338 HydrophobicContact CB-CD2 4.25Å; L334-F338 HydrophobicContact CB-CE2 4.19Å; L334-F338 HydrophobicContact CD2-CE2 4.09Å; L334-F338 WeakPolarHBondContact O-CD2 3.36Å; L334-F338 PolarHBondContact O-N 2.82Å; S336-F338 VanDerWaalsContact C-N 3.34Å; S336-F338 PolarHBondContact O-N 3.39Å; F338-M340 VanDerWaalsContact C-N 3.33Å; F338-M340 PolarHBondContact O-N 3.17Å; F338-T341 PolarHBondContact O-N 2.98Å; F338-F342 WeakPolarHBondContact O-CB 3.26Å; F338-F342 PolarHBondContact O-N 3.43Å
339T85.7Confident83.8Confident54 Ų5459 Ų5933%0.33131%0.309SS..Hα-helixtrans-60.8-45178.1-57.50000110.8V12 L335 S336 F342 I343V12-T339 HydrophobicContact CG2-CG2 4.04Å; L335-T339 WeakPolarHBondContact O-CB 3.43Å; L335-T339 PolarHBondContact O-N 3.28Å; L335-T339 PolarHBondContact O-OG1 3.2Å; S336-T339 PolarHBondContact O-N 2.78Å; T339-F342 PolarHBondContact O-N 3.31Å; T339-I343 WeakPolarHBondContact O-CG2 3.35Å; T339-I343 PolarHBondContact O-N 3.08Å
340M83.5Confident84.3Confident29 Ų2958.7 Ų58.714%0.14331%0.305CS..Hα-helixtrans-65.3-46.6178-76.5-52.7-57.300112.5L8 P11 V12 S336 S337 F338 F342 I343 N344 W377L8-M340 HydrophobicContact CD2-CG 3.94Å; L8-M340 HydrophobicContact CD2-SD 4.46Å; P11-M340 HydrophobicContact CB-CE 3.61Å; P11-M340 HydrophobicContact CB-SD 4.03Å; P11-M340 HydrophobicContact CG-CE 3.85Å; P11-M340 HydrophobicContact CG-SD 3.64Å; V12-M340 HydrophobicContact CG2-SD 3.83Å; S336-M340 VanDerWaalsContact O-CB 3.32Å; S336-M340 WeakPolarHBondContact O-CB 3.43Å; S336-M340 VanDerWaalsContact O-CG 3.3Å; S336-M340 WeakPolarHBondContact O-CG 3.5Å; S336-M340 PolarHBondContact O-N 3.33Å; S337-M340 PolarHBondContact O-N 3.09Å; F338-M340 VanDerWaalsContact C-N 3.33Å; F338-M340 PolarHBondContact O-N 3.17Å; M340-F342 VanDerWaalsContact C-N 3.32Å; M340-F342 PolarHBondContact O-N 3.38Å; M340-I343 WeakPolarHBondContact O-CG2 3.03Å; M340-N344 WeakPolarHBondContact O-CB 3.36Å; M340-N344 VanDerWaalsContact O-CG 3.3Å; M340-N344 PolarHBondContact O-N 3.32Å; M340-N344 VanDerWaalsContact O-N 3.09Å; M340-N344 PolarHBondContact O-ND2 3.42Å; M340-W377 HydrophobicContact CE-CZ2 4.23Å
341T83.3Confident84.8Confident48 Ų4852.8 Ų52.829%0.29428%0.279SS..Hα-helixtrans-62-43.7176.4-63.50000110.5S337 F338 N344 V345S337-T341 WeakPolarHBondContact O-CB 3.35Å; S337-T341 PolarHBondContact O-N 2.67Å; S337-T341 PolarHBondContact O-OG1 3.42Å; F338-T341 PolarHBondContact O-N 2.98Å; T341-N344 PolarHBondContact O-N 3.37Å; T341-V345 HydrophobicContact CG2-CG2 4.3Å; T341-V345 VanDerWaalsContact O-CG2 3.28Å; T341-V345 WeakPolarHBondContact O-CG2 3.5Å; T341-V345 PolarHBondContact O-N 2.94Å
342F87.1Confident85Confident143 Ų14351.5 Ų51.563%0.62727%0.267SS*.Hα-helixtrans-61-51.1-179.7-177.2-105.5000112.5F338 T339 M340 N344 V345 I346F338-F342 WeakPolarHBondContact O-CB 3.26Å; F338-F342 PolarHBondContact O-N 3.43Å; T339-F342 PolarHBondContact O-N 3.31Å; M340-F342 VanDerWaalsContact C-N 3.32Å; M340-F342 PolarHBondContact O-N 3.38Å; F342-N344 VanDerWaalsContact C-N 3.3Å; F342-N344 PolarHBondContact O-N 3.43Å; F342-V345 PolarHBondContact O-N 3.35Å; F342-I346 HydrophobicContact CD1-CD1 3.94Å; F342-I346 HydrophobicContact CE1-CD1 3.47Å; F342-I346 VanDerWaalsContact CE1-CD1 3.47Å; F342-I346 HydrophobicContact CE2-CD1 4.42Å; F342-I346 HydrophobicContact CZ-CD1 3.75Å; F342-I346 WeakPolarHBondContact O-CG1 3.49Å; F342-I346 PolarHBondContact O-N 3.49Å; F342-I346 VanDerWaalsContact O-N 3.13Å
343I88Confident85.3Confident19 Ų1956 Ų5610%0.09729%0.285CS..Hα-helixtrans-64.4-37179.6-168.560.5000111.9V12 I16 I19 T339 M340 I346 Q347V12-I343 HydrophobicContact CG2-CG2 4.23Å; I16-I343 HydrophobicContact CG1-CD1 3.83Å; I16-I343 HydrophobicContact CG1-CG1 4.47Å; I19-I343 HydrophobicContact CD1-CD1 3.97Å; T339-I343 WeakPolarHBondContact O-CG2 3.35Å; T339-I343 PolarHBondContact O-N 3.08Å; M340-I343 WeakPolarHBondContact O-CG2 3.03Å; I343-I346 PolarHBondContact O-N 3.35Å; I343-Q347 PolarHBondContact O-N 3.48Å
344N85.4Confident85.8Confident7 Ų750.2 Ų50.24%0.03726%0.26CS..Hα-helixtrans-66.4-43.7176.1-75.6-53.7000111.3M340 T341 F342 I346 Q347 F348 P373M340-N344 WeakPolarHBondContact O-CB 3.36Å; M340-N344 VanDerWaalsContact O-CG 3.3Å; M340-N344 PolarHBondContact O-N 3.32Å; M340-N344 VanDerWaalsContact O-N 3.09Å; M340-N344 PolarHBondContact O-ND2 3.42Å; T341-N344 PolarHBondContact O-N 3.37Å; F342-N344 VanDerWaalsContact C-N 3.3Å; F342-N344 PolarHBondContact O-N 3.43Å; N344-I346 PolarHBondContact O-N 2.88Å; N344-Q347 WeakPolarHBondContact O-CB 3.36Å; N344-Q347 PolarHBondContact O-N 2.95Å; N344-F348 HydrophobicContact CB-CD2 4.42Å; N344-F348 VanDerWaalsContact O-CD2 3.23Å; N344-F348 WeakPolarHBondContact O-CD2 3.22Å; N344-F348 PolarHBondContact O-N 3.05Å; N344-P373 HydrophobicContact CB-CB 3.78Å; N344-P373 HydrophobicContact CB-CG 3.48Å; N344-P373 VanDerWaalsContact CB-CG 3.48Å; N344-P373 WeakPolarHBondContact ND2-CB 3.47Å
345V85.4Confident86.1Confident47 Ų4747.7 Ų47.729%0.28525%0.247SC..Hα-helixtrans-56.9-41.6176.3167.70000111T341 F342 T349T341-V345 HydrophobicContact CG2-CG2 4.3Å; T341-V345 VanDerWaalsContact O-CG2 3.28Å; T341-V345 WeakPolarHBondContact O-CG2 3.5Å; T341-V345 PolarHBondContact O-N 2.94Å; F342-V345 PolarHBondContact O-N 3.35Å; V345-T349 WeakPolarHBondContact O-CB 3.38Å; V345-T349 PolarHBondContact O-N 3.1Å; V345-T349 PolarHBondContact O-OG1 3.18Å
346I88.5Confident86.2Confident62 Ų6243.9 Ų43.932%0.31823%0.23SC..Hα-helixtrans-61.7-50.9173.2-64.3171000110.6I19 F342 I343 N344 F348 T349 V350I19-I346 HydrophobicContact CD1-CG2 3.95Å; F342-I346 HydrophobicContact CD1-CD1 3.94Å; F342-I346 HydrophobicContact CE1-CD1 3.47Å; F342-I346 VanDerWaalsContact CE1-CD1 3.47Å; F342-I346 HydrophobicContact CE2-CD1 4.42Å; F342-I346 HydrophobicContact CZ-CD1 3.75Å; F342-I346 WeakPolarHBondContact O-CG1 3.49Å; F342-I346 PolarHBondContact O-N 3.49Å; F342-I346 VanDerWaalsContact O-N 3.13Å; I343-I346 PolarHBondContact O-N 3.35Å; N344-I346 PolarHBondContact O-N 2.88Å; I346-F348 PolarHBondContact O-N 3.46Å; I346-T349 PolarHBondContact O-N 3.28Å; I346-V350 HydrophobicContact CG2-CG2 4.38Å; I346-V350 WeakPolarHBondContact O-CG2 3.46Å; I346-V350 PolarHBondContact O-N 2.81Å
347Q88.1Confident86.4Confident1 Ų146.4 Ų46.41%0.00524%0.238CC..Hα-helixtrans-55.5-50.5-179.4-176.5178.1-1900112.1S15 I19 L184 I343 N344 T349 V350 A351S15-Q347 PolarHBondContact OG-OE1 3.15Å; I19-Q347 HydrophobicContact CD1-CB 3.81Å; I19-Q347 HydrophobicContact CD1-CG 4.42Å; I19-Q347 HydrophobicContact CG1-CB 3.83Å; I19-Q347 HydrophobicContact CG1-CG 3.95Å; L184-Q347 VanDerWaalsContact CD2-NE2 3.28Å; I343-Q347 PolarHBondContact O-N 3.48Å; N344-Q347 WeakPolarHBondContact O-CB 3.36Å; N344-Q347 PolarHBondContact O-N 2.95Å; Q347-T349 VanDerWaalsContact C-N 3.34Å; Q347-T349 PolarHBondContact O-N 3.27Å; Q347-V350 PolarHBondContact O-N 2.94Å; Q347-A351 VanDerWaalsContact O-CB 3.23Å; Q347-A351 WeakPolarHBondContact O-CB 3.42Å; Q347-A351 PolarHBondContact O-N 3.4Å
348F86.5Confident86.6Confident1 Ų145.5 Ų45.50%0.00423%0.228CC..Hα-helixtrans-66.7-37-179.8-84.3-98.1000111.8I179 S183 L184 N344 I346 A351 L352 V369 Y372 P373I179-F348 HydrophobicContact CG2-CD1 3.95Å; I179-F348 HydrophobicContact CG2-CE1 3.99Å; S183-F348 WeakPolarHBondContact OG-CD1 3.31Å; S183-F348 WeakPolarHBondContact OG-CE1 3.02Å; L184-F348 HydrophobicContact CD1-CZ 4.01Å; L184-F348 HydrophobicContact CD2-CE2 3.87Å; L184-F348 HydrophobicContact CD2-CZ 3.84Å; L184-F348 HydrophobicContact CG-CE1 4.36Å; L184-F348 HydrophobicContact CG-CE2 4.31Å; L184-F348 HydrophobicContact CG-CZ 3.76Å; N344-F348 HydrophobicContact CB-CD2 4.42Å; N344-F348 VanDerWaalsContact O-CD2 3.23Å; N344-F348 WeakPolarHBondContact O-CD2 3.22Å; N344-F348 PolarHBondContact O-N 3.05Å; I346-F348 PolarHBondContact O-N 3.46Å; F348-A351 PolarHBondContact O-N 3.47Å; F348-L352 VanDerWaalsContact O-CB 3.25Å; F348-L352 WeakPolarHBondContact O-CB 3.3Å; F348-L352 WeakPolarHBondContact O-CG 3.14Å; F348-L352 PolarHBondContact O-N 3.38Å; F348-V369 HydrophobicContact CB-CB 4.25Å; F348-V369 HydrophobicContact CB-CG1 3.3Å; F348-V369 HydrophobicContact CB-CG2 3.91Å; F348-V369 HydrophobicContact CD1-CB 4.48Å; F348-V369 HydrophobicContact CD1-CG1 4.23Å; F348-V369 HydrophobicContact CD1-CG2 3.83Å; F348-V369 HydrophobicContact CD2-CG1 4.39Å; F348-V369 HydrophobicContact CG-CB 4.47Å; F348-V369 HydrophobicContact CG-CG1 3.74Å; F348-V369 HydrophobicContact CG-CG2 4.14Å; F348-Y372 AromaticContact CE1-CD1 3.73Å; F348-Y372 HydrophobicContact CE1-CD1 3.73Å; F348-Y372 HydrophobicContact CE1-CE1 4.1Å; F348-Y372 AromaticContact CZ-CD1 3.49Å; F348-Y372 HydrophobicContact CZ-CD1 3.49Å; F348-Y372 VanDerWaalsContact CZ-CD1 3.49Å; F348-Y372 AromaticContact CZ-CE1 3.81Å; F348-Y372 HydrophobicContact CZ-CE1 3.81Å; F348-P373 HydrophobicContact CD2-CG 4.27Å; F348-P373 HydrophobicContact CE2-CG 3.76Å; F348-P373 HydrophobicContact CZ-CG 4.36Å
349T86.6Confident86.4Confident71 Ų7140.9 Ų40.944%0.43621%0.208SC..Hα-helixtrans-65.3-47178.2-63.80000111.1V345 I346 Q347 A351 F353V345-T349 WeakPolarHBondContact O-CB 3.38Å; V345-T349 PolarHBondContact O-N 3.1Å; V345-T349 PolarHBondContact O-OG1 3.18Å; I346-T349 PolarHBondContact O-N 3.28Å; Q347-T349 VanDerWaalsContact C-N 3.34Å; Q347-T349 PolarHBondContact O-N 3.27Å; T349-A351 VanDerWaalsContact C-N 3.34Å; T349-F353 VanDerWaalsContact O-CB 3.29Å; T349-F353 WeakPolarHBondContact O-CB 3.31Å; T349-F353 PolarHBondContact O-N 3.38Å
350V89.4Confident85.6Confident29 Ų2947.6 Ų47.618%0.17623%0.233CC..Hα-helixtrans-60.3-46.9174.9169.70000110.5I19 I23 I346 Q347 F353 I354I19-V350 HydrophobicContact CG2-CG1 4.42Å; I19-V350 HydrophobicContact CG2-CG2 4.3Å; I23-V350 HydrophobicContact CD1-CG1 3.87Å; I23-V350 HydrophobicContact CD1-CG2 4.31Å; I23-V350 HydrophobicContact CG1-CG1 3.55Å; I346-V350 HydrophobicContact CG2-CG2 4.38Å; I346-V350 WeakPolarHBondContact O-CG2 3.46Å; I346-V350 PolarHBondContact O-N 2.81Å; Q347-V350 PolarHBondContact O-N 2.94Å; V350-F353 WeakPolarHBondContact O-CB 3.27Å; V350-F353 PolarHBondContact O-N 3.34Å; V350-I354 HydrophobicContact CG1-CD1 3.97Å; V350-I354 WeakPolarHBondContact O-CG1 3.35Å; V350-I354 PolarHBondContact O-N 2.91Å
351A89Confident84.5Confident0 Ų053.6 Ų53.60%026%0.258CS..Hα-helixtrans-63.2-47.8-177.900000112S183 C187 Q347 F348 T349 F353 I354 D355S183-A351 VanDerWaalsContact CA-CB 3.47Å; C187-A351 WeakPolarHBondContact SG-CB 3.31Å; Q347-A351 VanDerWaalsContact O-CB 3.23Å; Q347-A351 WeakPolarHBondContact O-CB 3.42Å; Q347-A351 PolarHBondContact O-N 3.4Å; F348-A351 PolarHBondContact O-N 3.47Å; T349-A351 VanDerWaalsContact C-N 3.34Å; A351-F353 VanDerWaalsContact C-N 3.3Å; A351-F353 PolarHBondContact O-N 3.3Å; A351-I354 PolarHBondContact O-N 3.42Å; A351-D355 VanDerWaalsContact O-CB 3.23Å; A351-D355 WeakPolarHBondContact O-CB 3.3Å; A351-D355 PolarHBondContact O-N 2.86Å
352L86.6Confident83.4Confident39 Ų3954.8 Ų54.820%0.20426%0.263CS..Hα-helixtrans-65.1-33.7176.8-71.4172.3000112.2A182 F348 D355 S356 L366 V369A182-L352 HydrophobicContact CB-CD2 4.25Å; F348-L352 VanDerWaalsContact O-CB 3.25Å; F348-L352 WeakPolarHBondContact O-CB 3.3Å; F348-L352 WeakPolarHBondContact O-CG 3.14Å; F348-L352 PolarHBondContact O-N 3.38Å; L352-D355 PolarHBondContact O-N 3.37Å; L352-S356 VanDerWaalsContact O-CB 3.25Å; L352-S356 WeakPolarHBondContact O-CB 3.18Å; L352-S356 PolarHBondContact O-N 2.88Å; L352-L366 HydrophobicContact CD1-CD2 3.78Å; L352-V369 HydrophobicContact CD1-CG2 3.81Å
353F87.6Confident81.9Confident130 Ų13053.8 Ų53.857%0.5726%0.262SS*.Hα-helixtrans-62.6-49.9174.1177.7-95000111.2T349 V350 A351 D355 S356T349-F353 VanDerWaalsContact O-CB 3.29Å; T349-F353 WeakPolarHBondContact O-CB 3.31Å; T349-F353 PolarHBondContact O-N 3.38Å; V350-F353 WeakPolarHBondContact O-CB 3.27Å; V350-F353 PolarHBondContact O-N 3.34Å; A351-F353 VanDerWaalsContact C-N 3.3Å; A351-F353 PolarHBondContact O-N 3.3Å; F353-D355 VanDerWaalsContact C-N 3.33Å; F353-D355 PolarHBondContact O-N 2.91Å; F353-S356 PolarHBondContact O-N 3.29Å; F353-S356 PolarHBondContact O-OG 3.04Å
354I89Confident80.5Confident4 Ų455.4 Ų55.42%0.02128%0.278CS..Hα-helixtrans-60.5-46176-69.2168.7000110.3S22 Y26 E30 V350 A351 S356S22-I354 VanDerWaalsContact OG-CD1 3.3Å; S22-I354 WeakPolarHBondContact OG-CD1 3.45Å; Y26-I354 HydrophobicContact CD2-CB 4.4Å; Y26-I354 HydrophobicContact CD2-CG1 4.02Å; Y26-I354 HydrophobicContact CD2-CG2 3.93Å; Y26-I354 HydrophobicContact CG-CD1 4.42Å; Y26-I354 HydrophobicContact CG-CG1 4.06Å; E30-I354 WeakPolarHBondContact OE2-CG2 3.43Å; V350-I354 HydrophobicContact CG1-CD1 3.97Å; V350-I354 WeakPolarHBondContact O-CG1 3.35Å; V350-I354 PolarHBondContact O-N 2.91Å; A351-I354 PolarHBondContact O-N 3.42Å; I354-S356 VanDerWaalsContact C-N 3.32Å; I354-S356 PolarHBondContact O-N 3.48Å
355D87.1Confident79.3Confident6 Ų655.2 Ų55.23%0.03228%0.277CS..Hα-helixtrans-71.7-25.1-174.3-154.365.8000113.8R165 A182 A351 L352 F353 R357 Y358 E359R165-D355 IonicContact CZ-OD1 3.54Å; R165-D355 VanDerWaalsContact CZ-OD1 3.27Å; R165-D355 IonicContact CZ-OD2 2.88Å; R165-D355 VanDerWaalsContact NH1-CG 3.28Å; R165-D355 IonicContact NH1-OD1 2.65Å; R165-D355 PolarHBondContact NH1-OD1 3.48Å; R165-D355 IonicContact NH1-OD2 3.46Å; R165-D355 PolarHBondContact NH1-OD2 3.42Å; R165-D355 IonicContact NH2-OD1 2.89Å; R165-D355 PolarHBondContact NH2-OD1 2.84Å; R165-D355 IonicContact NH2-OD2 3.52Å; R165-D355 PolarHBondContact NH2-OD2 2.94Å; A182-D355 WeakPolarHBondContact CA-OD2 3.49Å; A182-D355 HydrophobicContact CB-CB 4.3Å; A182-D355 WeakPolarHBondContact CB-OD2 3.38Å; A351-D355 VanDerWaalsContact O-CB 3.23Å; A351-D355 WeakPolarHBondContact O-CB 3.3Å; A351-D355 PolarHBondContact O-N 2.86Å; L352-D355 PolarHBondContact O-N 3.37Å; F353-D355 VanDerWaalsContact C-N 3.33Å; F353-D355 PolarHBondContact O-N 2.91Å; D355-R357 PolarHBondContact O-N 2.93Å; D355-Y358 PolarHBondContact O-N 3.5Å; D355-E359 PolarHBondContact O-N 3.48Å
356S85.7Confident78.3Confident36 Ų3656 Ų5625%0.25228%0.28SS..THydrogen-bonded Turntrans-59-11.4-179.470.80000115.1L352 F353 I354 E359L352-S356 VanDerWaalsContact O-CB 3.25Å; L352-S356 WeakPolarHBondContact O-CB 3.18Å; L352-S356 PolarHBondContact O-N 2.88Å; F353-S356 PolarHBondContact O-N 3.29Å; F353-S356 PolarHBondContact O-OG 3.04Å; I354-S356 VanDerWaalsContact C-N 3.32Å; I354-S356 PolarHBondContact O-N 3.48Å; S356-E359 CarbonylContact C-O 3.41Å; S356-E359 WeakPolarHBondContact CA-O 3.3Å
357R85.1Confident77.2Confident63 Ų6359.2 Ų59.224%0.23830%0.296CS..THydrogen-bonded Turntrans-71.6-37.7171.8-66.7-176.767.3-165.20.6112E30 Y33 L35 D355E30-R357 VanDerWaalsContact C-NH1 3.32Å; E30-R357 PolarHBondContact O-NH1 3.26Å; E30-R357 PolarHBondContact O-NH2 2.83Å; Y33-R357 PolarHBondContact O-NH2 2.93Å; L35-R357 HydrophobicContact CD1-CB 4.07Å; L35-R357 WeakPolarHBondContact CD1-O 3.22Å; D355-R357 PolarHBondContact O-N 2.93Å
358Y86.2Confident76.1Confident25 Ų2562.7 Ų62.710%0.09831%0.311CS..THydrogen-bonded Turntrans-89.7-34.8-174.5-55.9-77.4000112E30 L35 R165 P245 L246 M248 D355E30-Y358 VanDerWaalsContact CD-OH 3.29Å; E30-Y358 PolarHBondContact OE1-OH 2.82Å; E30-Y358 PolarHBondContact OE2-OH 3.22Å; L35-Y358 HydrophobicContact CD2-CD1 3.93Å; L35-Y358 HydrophobicContact CD2-CE1 3.9Å; R165-Y358 VanDerWaalsContact NH2-CB 3.29Å; P245-Y358 HydrophobicContact CB-CE1 4.18Å; P245-Y358 HydrophobicContact CB-CE2 4.37Å; P245-Y358 WeakPolarHBondContact CB-OH 3.32Å; P245-Y358 WeakPolarHBondContact O-CD1 3.1Å; P245-Y358 VanDerWaalsContact O-CE1 3.27Å; P245-Y358 WeakPolarHBondContact O-CE1 3.4Å; L246-Y358 HydrophobicContact CD2-CE1 3.96Å; M248-Y358 HydrophobicContact SD-CD1 4.22Å; D355-Y358 PolarHBondContact O-N 3.5Å
359E79.7Confident75.2Confident44 Ų4462.8 Ų62.821%0.20631%0.312CS..SBendtrans-133.4133.9178.8-161-177.613600110.5K169 D355 S356 K361K169-E359 IonicContact NZ-OE1 2.71Å; K169-E359 PolarHBondContact NZ-OE1 3.36Å; K169-E359 IonicContact NZ-OE2 3.23Å; K169-E359 PolarHBondContact NZ-OE2 2.8Å; K169-E359 VanDerWaalsContact NZ-OE2 3.07Å; D355-E359 PolarHBondContact O-N 3.48Å; S356-E359 CarbonylContact C-O 3.41Å; S356-E359 WeakPolarHBondContact CA-O 3.3Å; E359-K361 PolarHBondContact O-N 3.36Å
360K70.1Confident74.1Confident195 Ų19561.9 Ų61.985%0.84831%0.309SS*.  trans-57.1140.1-178.2-73.4-175.1-179.6177.10111.1N362K360-N362 PolarHBondContact O-N 3.22Å
361K60.6Low73Confident155 Ų15569.9 Ų69.967%0.67434%0.336SS*.  trans-47.5107.8-176.9-65.8-179-179179.40112.5E359 M363E359-K361 PolarHBondContact O-N 3.36Å; K361-M363 VanDerWaalsContact C-N 3.31Å; K361-M363 HydrophobicContact CB-CG 4.41Å; K361-M363 PolarHBondContact O-N 3.33Å; K361-M363 VanDerWaalsContact O-N 3.11Å
362N60.2Low72.2Confident73 Ų7370.8 Ų70.839%0.3934%0.339SS..  trans-82.280.8163.3-166.6-4000108.7K360 A364 G365K360-N362 PolarHBondContact O-N 3.22Å; N362-A364 PolarHBondContact O-N 3.25Å; N362-A364 VanDerWaalsContact O-N 3.16Å; N362-A364 WeakPolarHBondContact OD1-CB 3.5Å; N362-G365 WeakPolarHBondContact O-CA 3.34Å; N362-G365 PolarHBondContact O-N 3.12Å
363M55.4Low71.4Confident123 Ų12369.1 Ų69.161%0.60633%0.331SS*.THydrogen-bonded Turntrans-56.5-28.5179.4-74.5-62.8-6300112.6K361 G365 L366K361-M363 VanDerWaalsContact C-N 3.31Å; K361-M363 HydrophobicContact CB-CG 4.41Å; K361-M363 PolarHBondContact O-N 3.33Å; K361-M363 VanDerWaalsContact O-N 3.11Å; M363-G365 PolarHBondContact O-N 3.48Å; M363-L366 HydrophobicContact CE-CD1 3.59Å; M363-L366 PolarHBondContact O-N 2.81Å; M363-L366 HydrophobicContact SD-CD1 3.84Å
364A58.2Low70.5Confident53 Ų5366.1 Ų66.144%0.43832%0.323SS..THydrogen-bonded Turntrans-63.5-24.4173.500000112.4N362 L366 I367 F368N362-A364 PolarHBondContact O-N 3.25Å; N362-A364 VanDerWaalsContact O-N 3.16Å; N362-A364 WeakPolarHBondContact OD1-CB 3.5Å; A364-L366 VanDerWaalsContact C-N 3.31Å; A364-L366 PolarHBondContact O-N 2.87Å; A364-I367 PolarHBondContact O-N 3.47Å; A364-F368 WeakPolarHBondContact O-CD2 3.5Å
365G61.1Low69.7Low2 Ų269.6 Ų69.62%0.02135%0.345CS..Hα-helixtrans-64.1-31.9176.300000113.8N362 M363 I367 F368 V369N362-G365 WeakPolarHBondContact O-CA 3.34Å; N362-G365 PolarHBondContact O-N 3.12Å; M363-G365 PolarHBondContact O-N 3.48Å; G365-I367 PolarHBondContact O-N 3.4Å; G365-F368 PolarHBondContact O-N 3.32Å; G365-V369 WeakPolarHBondContact O-CG2 3.34Å; G365-V369 PolarHBondContact O-N 2.82Å
366L63.8Low69.2Low65 Ų6571.7 Ų71.734%0.3435%0.352SS..Hα-helixtrans-61.4-28.4178.7-69.2169.5000112.9L352 M363 A364 V369L352-L366 HydrophobicContact CD1-CD2 3.78Å; M363-L366 HydrophobicContact CE-CD1 3.59Å; M363-L366 PolarHBondContact O-N 2.81Å; M363-L366 HydrophobicContact SD-CD1 3.84Å; A364-L366 VanDerWaalsContact C-N 3.31Å; A364-L366 PolarHBondContact O-N 2.87Å; L366-V369 WeakPolarHBondContact O-CB 3.49Å; L366-V369 PolarHBondContact O-N 3.34Å
367I65.2Low68.7Low128 Ų12873 Ų7366%0.65635%0.352SS*.Hα-helixtrans-67.5-42.8175.1-61.5174.3000109.9A364 G365 V369A364-I367 PolarHBondContact O-N 3.47Å; G365-I367 PolarHBondContact O-N 3.4Å; I367-V369 VanDerWaalsContact C-N 3.3Å; I367-V369 PolarHBondContact O-N 2.99Å
368F65.6Low68.5Low74 Ų7475.5 Ų75.533%0.32537%0.368SS..Hα-helixtrans-70-26.9177.8-64.1-75.3000112.7I172 I176 I179 A364 G365 S370 W371 Y372I172-F368 HydrophobicContact CG2-CE1 4.2Å; I176-F368 HydrophobicContact CG1-CD1 4.46Å; I179-F368 HydrophobicContact CD1-CB 3.84Å; I179-F368 HydrophobicContact CD1-CD2 4.34Å; I179-F368 HydrophobicContact CD1-CG 4.46Å; A364-F368 WeakPolarHBondContact O-CD2 3.5Å; G365-F368 PolarHBondContact O-N 3.32Å; F368-S370 PolarHBondContact O-N 3.14Å; F368-W371 PolarHBondContact O-N 3.47Å; F368-Y372 WeakPolarHBondContact O-CB 3.24Å; F368-Y372 PolarHBondContact O-N 2.96Å
369V66.2Low68.5Low3 Ų376.8 Ų76.82%0.01838%0.377CS..Hα-helixtrans-55.1-33.6177.3165.20000113.1I179 F348 L352 G365 L366 I367 W371 P373I179-V369 HydrophobicContact CG2-CG2 4.1Å; F348-V369 HydrophobicContact CB-CB 4.25Å; F348-V369 HydrophobicContact CB-CG1 3.3Å; F348-V369 HydrophobicContact CB-CG2 3.91Å; F348-V369 HydrophobicContact CD1-CB 4.48Å; F348-V369 HydrophobicContact CD1-CG1 4.23Å; F348-V369 HydrophobicContact CD1-CG2 3.83Å; F348-V369 HydrophobicContact CD2-CG1 4.39Å; F348-V369 HydrophobicContact CG-CB 4.47Å; F348-V369 HydrophobicContact CG-CG1 3.74Å; F348-V369 HydrophobicContact CG-CG2 4.14Å; L352-V369 HydrophobicContact CD1-CG2 3.81Å; G365-V369 WeakPolarHBondContact O-CG2 3.34Å; G365-V369 PolarHBondContact O-N 2.82Å; L366-V369 WeakPolarHBondContact O-CB 3.49Å; L366-V369 PolarHBondContact O-N 3.34Å; I367-V369 VanDerWaalsContact C-N 3.3Å; I367-V369 PolarHBondContact O-N 2.99Å; V369-W371 PolarHBondContact O-N 2.83Å; V369-P373 WeakPolarHBondContact O-CD 3.39Å; V369-P373 WeakPolarHBondContact O-CG 3.4Å
370S64.7Low68.8Low53 Ų5376.5 Ų76.537%0.37138%0.376SS..THydrogen-bonded Turntrans-70.1-34.9-174.1-62.30000113.2F368F368-S370 PolarHBondContact O-N 3.14Å
371W66.4Low69.6Low196 Ų19668.1 Ų68.174%0.74234%0.343SS*.THydrogen-bonded Turntrans-104.8-26.1-174.7-65.691.8000113.4F368 V369 P373 T374 V375F368-W371 PolarHBondContact O-N 3.47Å; V369-W371 PolarHBondContact O-N 2.83Å; W371-P373 VanDerWaalsContact C-CD 3.45Å; W371-T374 PolarHBondContact O-N 3.13Å; W371-V375 PolarHBondContact O-N 3.43Å
372Y71.5Confident71.2Confident20 Ų2062.4 Ų62.48%0.07833%0.326CS..Hα-helixtrans-55.8-42.5-175.6176-102.4000114.1I176 E180 L184 F348 F368 T374 V375 Y376I176-Y372 HydrophobicContact CG2-CD2 3.31Å; I176-Y372 HydrophobicContact CG2-CE2 3.07Å; I176-Y372 HydrophobicContact CG2-CG 4.42Å; E180-Y372 HydrophobicContact CB-CE1 4.18Å; E180-Y372 VanDerWaalsContact CB-OH 3.31Å; E180-Y372 WeakPolarHBondContact CB-OH 3.36Å; E180-Y372 HydrophobicContact CG-CE1 4.24Å; E180-Y372 WeakPolarHBondContact CG-OH 3.3Å; E180-Y372 PolarHBondContact OE2-OH 3.47Å; L184-Y372 HydrophobicContact CD1-CE1 4.16Å; F348-Y372 AromaticContact CE1-CD1 3.73Å; F348-Y372 HydrophobicContact CE1-CD1 3.73Å; F348-Y372 HydrophobicContact CE1-CE1 4.1Å; F348-Y372 AromaticContact CZ-CD1 3.49Å; F348-Y372 HydrophobicContact CZ-CD1 3.49Å; F348-Y372 VanDerWaalsContact CZ-CD1 3.49Å; F348-Y372 AromaticContact CZ-CE1 3.81Å; F348-Y372 HydrophobicContact CZ-CE1 3.81Å; F368-Y372 WeakPolarHBondContact O-CB 3.24Å; F368-Y372 PolarHBondContact O-N 2.96Å; Y372-T374 VanDerWaalsContact C-N 3.31Å; Y372-T374 PolarHBondContact O-N 3.31Å; Y372-V375 PolarHBondContact O-N 3.47Å; Y372-Y376 HydrophobicContact CE1-CD2 4.22Å; Y372-Y376 HydrophobicContact CE1-CG 4.27Å; Y372-Y376 AromaticContact CZ-CD2 3.85Å; Y372-Y376 VanDerWaalsContact O-CB 3.26Å; Y372-Y376 WeakPolarHBondContact O-CB 3.39Å; Y372-Y376 PolarHBondContact O-N 3.35Å; Y372-Y376 WeakPolarHBondContact OH-CD2 3.48Å
373P70.2Confident72.8Confident4 Ų459.1 Ų59.13%0.02631%0.308CS..Hα-helixtrans-55.2-46.4177.8-2431.1000112.2N344 F348 V369 W371 V375 Y376 W377N344-P373 HydrophobicContact CB-CB 3.78Å; N344-P373 HydrophobicContact CB-CG 3.48Å; N344-P373 VanDerWaalsContact CB-CG 3.48Å; N344-P373 WeakPolarHBondContact ND2-CB 3.47Å; F348-P373 HydrophobicContact CD2-CG 4.27Å; F348-P373 HydrophobicContact CE2-CG 3.76Å; F348-P373 HydrophobicContact CZ-CG 4.36Å; V369-P373 WeakPolarHBondContact O-CD 3.39Å; V369-P373 WeakPolarHBondContact O-CG 3.4Å; W371-P373 VanDerWaalsContact C-CD 3.45Å; P373-V375 PolarHBondContact O-N 3.06Å; P373-Y376 WeakPolarHBondContact O-CB 3.31Å; P373-Y376 PolarHBondContact O-N 2.82Å; P373-W377 PolarHBondContact O-N 2.96Å
374T68.2Low74.6Confident67 Ų6754.2 Ų54.241%0.41129%0.285SS..Hα-helixtrans-59.6-46.5179.6-540000111.6W371 Y372 W377 I378W371-T374 PolarHBondContact O-N 3.13Å; Y372-T374 VanDerWaalsContact C-N 3.31Å; Y372-T374 PolarHBondContact O-N 3.31Å; T374-W377 PolarHBondContact O-N 2.98Å; T374-I378 HydrophobicContact CG2-CD1 4.26Å; T374-I378 WeakPolarHBondContact O-CG1 3.47Å; T374-I378 PolarHBondContact O-N 2.94Å; T374-I378 VanDerWaalsContact O-N 3.12Å
375V72.9Confident76.2Confident77 Ų7754.9 Ų54.947%0.46728%0.281SS..Hα-helixtrans-63-44.1176.9176.60000110.8W371 Y372 P373 W377 I378 I379W371-V375 PolarHBondContact O-N 3.43Å; Y372-V375 PolarHBondContact O-N 3.47Å; P373-V375 PolarHBondContact O-N 3.06Å; V375-W377 PolarHBondContact O-N 3.27Å; V375-I378 PolarHBondContact O-N 3.3Å; V375-I379 HydrophobicContact CG1-CD1 3.68Å; V375-I379 HydrophobicContact CG1-CG1 4.34Å; V375-I379 WeakPolarHBondContact O-CB 3.42Å; V375-I379 VanDerWaalsContact O-CG1 3.31Å; V375-I379 WeakPolarHBondContact O-CG1 3.45Å; V375-I379 PolarHBondContact O-N 3.02Å
376Y76.1Confident77.8Confident49 Ų4957.3 Ų57.319%0.19230%0.295CS..Hα-helixtrans-59.6-44.9177.6179.1-102000112.1E180 L184 Y372 P373 I379 N380E180-Y376 WeakPolarHBondContact OE1-CE2 3.41Å; L184-Y376 HydrophobicContact CD1-CD1 4.01Å; L184-Y376 HydrophobicContact CD1-CD2 4.3Å; L184-Y376 HydrophobicContact CD1-CE1 3.66Å; L184-Y376 HydrophobicContact CD1-CE2 3.99Å; L184-Y376 HydrophobicContact CD1-CG 4.3Å; Y372-Y376 HydrophobicContact CE1-CD2 4.22Å; Y372-Y376 HydrophobicContact CE1-CG 4.27Å; Y372-Y376 AromaticContact CZ-CD2 3.85Å; Y372-Y376 VanDerWaalsContact O-CB 3.26Å; Y372-Y376 WeakPolarHBondContact O-CB 3.39Å; Y372-Y376 PolarHBondContact O-N 3.35Å; Y372-Y376 WeakPolarHBondContact OH-CD2 3.48Å; P373-Y376 WeakPolarHBondContact O-CB 3.31Å; P373-Y376 PolarHBondContact O-N 2.82Å; Y376-I379 PolarHBondContact O-N 3.35Å; Y376-N380 WeakPolarHBondContact CD1-ND2 3.39Å; Y376-N380 WeakPolarHBondContact CE1-ND2 3.47Å; Y376-N380 VanDerWaalsContact O-CB 3.26Å; Y376-N380 WeakPolarHBondContact O-CB 3.23Å; Y376-N380 PolarHBondContact O-N 3.44Å; Y376-N380 PolarHBondContact OH-ND2 3.21Å
377W76.1Confident79.3Confident65 Ų6554.2 Ų54.225%0.24628%0.279CS..Hα-helixtrans-62.3-43.8177.1-77.4111.3000112.2P11 W303 M340 P373 T374 V375 N380 A381P11-W377 HydrophobicContact CB-CH2 3.6Å; P11-W377 HydrophobicContact CB-CZ2 3.7Å; P11-W377 HydrophobicContact CB-CZ3 4.47Å; W303-W377 HydrophobicContact CE3-CZ3 4.25Å; W303-W377 AromaticContact CH2-CE3 3.89Å; W303-W377 HydrophobicContact CH2-CE3 3.89Å; W303-W377 AromaticContact CH2-CZ3 3.89Å; W303-W377 HydrophobicContact CH2-CZ3 3.89Å; W303-W377 AromaticContact CZ3-CE3 3.7Å; W303-W377 HydrophobicContact CZ3-CE3 3.7Å; W303-W377 AromaticContact CZ3-CZ3 3.61Å; W303-W377 HydrophobicContact CZ3-CZ3 3.61Å; M340-W377 HydrophobicContact CE-CZ2 4.23Å; P373-W377 PolarHBondContact O-N 2.96Å; T374-W377 PolarHBondContact O-N 2.98Å; V375-W377 PolarHBondContact O-N 3.27Å; W377-N380 PolarHBondContact O-N 3.06Å; W377-A381 WeakPolarHBondContact O-CB 3.4Å; W377-A381 PolarHBondContact O-N 2.85Å
378I80.6Confident80.6Confident114 Ų11450.4 Ų50.459%0.58526%0.258SS*.Hα-helixtrans-63.8-48.3177.4-67167.2000110.6T374 V375 N380 A381 A382T374-I378 HydrophobicContact CG2-CD1 4.26Å; T374-I378 WeakPolarHBondContact O-CG1 3.47Å; T374-I378 PolarHBondContact O-N 2.94Å; T374-I378 VanDerWaalsContact O-N 3.12Å; V375-I378 PolarHBondContact O-N 3.3Å; I378-N380 PolarHBondContact O-N 2.93Å; I378-A381 PolarHBondContact O-N 3.43Å; I378-A382 WeakPolarHBondContact O-CB 3.28Å; I378-A382 PolarHBondContact O-N 3.41Å
379I85.8Confident81.9Confident52 Ų5249.4 Ų49.427%0.26726%0.259SS..Hα-helixtrans-60.7-47.2178.8-69.5172.5000110V375 Y376 A381 A382 V383V375-I379 HydrophobicContact CG1-CD1 3.68Å; V375-I379 HydrophobicContact CG1-CG1 4.34Å; V375-I379 WeakPolarHBondContact O-CB 3.42Å; V375-I379 VanDerWaalsContact O-CG1 3.31Å; V375-I379 WeakPolarHBondContact O-CG1 3.45Å; V375-I379 PolarHBondContact O-N 3.02Å; Y376-I379 PolarHBondContact O-N 3.35Å; I379-A381 PolarHBondContact O-N 2.87Å; I379-A382 PolarHBondContact O-N 3.43Å; I379-V383 HydrophobicContact CG2-CG2 4.07Å; I379-V383 VanDerWaalsContact O-CB 3.31Å; I379-V383 WeakPolarHBondContact O-CB 3.41Å; I379-V383 WeakPolarHBondContact O-CG2 3.1Å; I379-V383 PolarHBondContact O-N 2.86Å
380N85.7Confident83.2Confident38 Ų3854 Ų5420%0.20328%0.279CS..Hα-helixtrans-63-42.2179.6-82.4-9.1000112.6Y376 W377 I378 A382 V383 V384Y376-N380 WeakPolarHBondContact CD1-ND2 3.39Å; Y376-N380 WeakPolarHBondContact CE1-ND2 3.47Å; Y376-N380 VanDerWaalsContact O-CB 3.26Å; Y376-N380 WeakPolarHBondContact O-CB 3.23Å; Y376-N380 PolarHBondContact O-N 3.44Å; Y376-N380 PolarHBondContact OH-ND2 3.21Å; W377-N380 PolarHBondContact O-N 3.06Å; I378-N380 PolarHBondContact O-N 2.93Å; N380-A382 VanDerWaalsContact C-N 3.34Å; N380-A382 PolarHBondContact O-N 3.46Å; N380-V383 PolarHBondContact O-N 3.31Å; N380-V384 VanDerWaalsContact O-CG2 3.31Å; N380-V384 WeakPolarHBondContact O-CG2 3.34Å; N380-V384 PolarHBondContact O-N 2.9Å
381A88Confident84.5Confident19 Ų1951.9 Ų51.916%0.15726%0.264CS..Hα-helixtrans-59-48175.800000110.9V304 W377 I378 I379 V383 V384 L385V304-A381 HydrophobicContact CG1-CB 3.84Å; V304-A381 HydrophobicContact CG2-CB 4.42Å; W377-A381 WeakPolarHBondContact O-CB 3.4Å; W377-A381 PolarHBondContact O-N 2.85Å; I378-A381 PolarHBondContact O-N 3.43Å; I379-A381 PolarHBondContact O-N 2.87Å; A381-V383 PolarHBondContact O-N 3.49Å; A381-V384 PolarHBondContact O-N 2.95Å; A381-L385 WeakPolarHBondContact O-CG 3.41Å; A381-L385 PolarHBondContact O-N 3.37Å
382A92.5Very high85.7Confident36 Ų3647.6 Ų47.630%0.29826%0.255SS..Hα-helixtrans-63.3-40.4177.100000112.4W261 I378 I379 N380 L385 V386W261-A382 HydrophobicContact CH2-CB 3.78Å; W261-A382 HydrophobicContact CZ3-CB 3.79Å; I378-A382 WeakPolarHBondContact O-CB 3.28Å; I378-A382 PolarHBondContact O-N 3.41Å; I379-A382 PolarHBondContact O-N 3.43Å; N380-A382 VanDerWaalsContact C-N 3.34Å; N380-A382 PolarHBondContact O-N 3.46Å; A382-L385 PolarHBondContact O-N 3.23Å; A382-V386 PolarHBondContact O-N 3.31Å
383V94.3Very high86.5Confident3 Ų355 Ų552%0.01829%0.288CS..Hα-helixtrans-60.9-46.6176.3160.30000110.9W261 R264 V265 A268 I379 N380 A381 L385 V386 A387W261-V383 HydrophobicContact CE3-CG2 3.79Å; W261-V383 HydrophobicContact CH2-CG2 4.2Å; W261-V383 HydrophobicContact CZ3-CB 4.47Å; W261-V383 HydrophobicContact CZ3-CG2 3.57Å; R264-V383 HydrophobicContact CB-CG1 4.16Å; R264-V383 HydrophobicContact CB-CG2 3.65Å; R264-V383 WeakPolarHBondContact O-CG1 3.32Å; V265-V383 HydrophobicContact CG2-CG1 4.43Å; V265-V383 HydrophobicContact CG2-CG2 4.22Å; A268-V383 HydrophobicContact CB-CG1 3.41Å; A268-V383 VanDerWaalsContact CB-CG1 3.41Å; I379-V383 HydrophobicContact CG2-CG2 4.07Å; I379-V383 VanDerWaalsContact O-CB 3.31Å; I379-V383 WeakPolarHBondContact O-CB 3.41Å; I379-V383 WeakPolarHBondContact O-CG2 3.1Å; I379-V383 PolarHBondContact O-N 2.86Å; N380-V383 PolarHBondContact O-N 3.31Å; A381-V383 PolarHBondContact O-N 3.49Å; V383-L385 VanDerWaalsContact C-N 3.34Å; V383-L385 PolarHBondContact O-N 3.2Å; V383-V386 PolarHBondContact O-N 2.83Å; V383-A387 WeakPolarHBondContact O-CB 3.36Å; V383-A387 PolarHBondContact O-N 3.45Å
384V93.5Very high87.2Confident20 Ų2058.6 Ų58.612%0.12130%0.301CS..Hα-helixtrans-60.1-43.9179.6166.60000111.2I301 V304 Y305 N380 A381 V386 A387 F388I301-V384 HydrophobicContact CG2-CG1 4.17Å; V304-V384 HydrophobicContact CB-CG1 4.31Å; V304-V384 HydrophobicContact CG1-CB 4.26Å; V304-V384 HydrophobicContact CG1-CG1 4.17Å; Y305-V384 HydrophobicContact CE2-CG1 4.31Å; N380-V384 VanDerWaalsContact O-CG2 3.31Å; N380-V384 WeakPolarHBondContact O-CG2 3.34Å; N380-V384 PolarHBondContact O-N 2.9Å; A381-V384 PolarHBondContact O-N 2.95Å; V384-V386 VanDerWaalsContact C-N 3.25Å; V384-V386 PolarHBondContact O-N 2.9Å; V384-A387 PolarHBondContact O-N 3.44Å; V384-F388 WeakPolarHBondContact O-CB 3.41Å; V384-F388 PolarHBondContact O-N 3.48Å
385L92.6Very high87.6Confident67 Ų6763.7 Ų63.735%0.35132%0.317SS..Hα-helixtrans-57.7-36.7177.7-71.5179.5000113.3Y305 L308 A381 A382 V383 P389Y305-L385 HydrophobicContact CD1-CD2 3.9Å; Y305-L385 HydrophobicContact CE1-CD2 3.43Å; Y305-L385 VanDerWaalsContact CE1-CD2 3.43Å; L308-L385 HydrophobicContact CD1-CD1 3.54Å; L308-L385 HydrophobicContact CD1-CD2 3.57Å; L308-L385 HydrophobicContact CD1-CG 3.71Å; A381-L385 WeakPolarHBondContact O-CG 3.41Å; A381-L385 PolarHBondContact O-N 3.37Å; A382-L385 PolarHBondContact O-N 3.23Å; V383-L385 VanDerWaalsContact C-N 3.34Å; V383-L385 PolarHBondContact O-N 3.2Å; L385-P389 WeakPolarHBondContact O-CD 3.24Å; L385-P389 WeakPolarHBondContact O-CG 3.42Å
386V94.2Very high87.7Confident54 Ų5469.3 Ų69.333%0.32734%0.335SS..Hα-helixtrans-85.5-37.9-179.9174.80000111.6W261 V265 A382 V383 V384 K390W261-V386 HydrophobicContact CH2-CG2 4.28Å; W261-V386 HydrophobicContact CZ2-CB 4.28Å; W261-V386 HydrophobicContact CZ2-CG2 3.9Å; V265-V386 HydrophobicContact CG1-CG1 4.09Å; V265-V386 HydrophobicContact CG2-CG1 4.33Å; A382-V386 PolarHBondContact O-N 3.31Å; V383-V386 PolarHBondContact O-N 2.83Å; V384-V386 VanDerWaalsContact C-N 3.25Å; V384-V386 PolarHBondContact O-N 2.9Å; V386-K390 HydrophobicContact CG1-CD 4.3Å; V386-K390 WeakPolarHBondContact O-CG 3.25Å
387A94.8Very high87.8Confident0 Ų069.9 Ų69.90%036%0.356CS..Hα-helixtrans-70.7-40.1-175.900000113.1A268 Q269 V383 V384 K390 A391A268-A387 HydrophobicContact CB-CB 3.55Å; Q269-A387 HydrophobicContact CB-CB 4.1Å; V383-A387 WeakPolarHBondContact O-CB 3.36Å; V383-A387 PolarHBondContact O-N 3.45Å; V384-A387 PolarHBondContact O-N 3.44Å; A387-K390 WeakPolarHBondContact O-CB 3.32Å; A387-K390 PolarHBondContact O-N 3.45Å; A387-A391 PolarHBondContact O-N 2.96Å
388F92.6Very high88Confident48 Ų4868.4 Ų68.421%0.21136%0.361CS..Hα-helixtrans-65-47.8-175.4-172.8-103.7000113.3H272 I301 V384 K390 A391 L392H272-F388 HydrophobicContact CB-CD2 4.16Å; H272-F388 AromaticContact CG-CD2 3.92Å; H272-F388 VanDerWaalsContact ND1-CA 3.34Å; H272-F388 WeakPolarHBondContact ND1-CA 3.23Å; H272-F388 AromaticContact ND1-CD2 3.88Å; H272-F388 PolarHBondContact ND1-N 2.6Å; I301-F388 HydrophobicContact CG2-CD2 4.48Å; V384-F388 WeakPolarHBondContact O-CB 3.41Å; V384-F388 PolarHBondContact O-N 3.48Å; F388-K390 VanDerWaalsContact C-N 3.27Å; F388-K390 PolarHBondContact O-N 2.89Å; F388-A391 PolarHBondContact O-N 2.92Å; F388-L392 HydrophobicContact CD1-CD1 4.01Å; F388-L392 HydrophobicContact CE1-CD1 3.67Å; F388-L392 HydrophobicContact CE1-CG 4.32Å; F388-L392 HydrophobicContact CZ-CD1 4.25Å; F388-L392 HydrophobicContact CZ-CG 4.49Å; F388-L392 PolarHBondContact O-N 3.4Å; F388-L392 VanDerWaalsContact O-N 3.08Å
389P93.1Very high88.3Confident53 Ų5368.1 Ų68.134%0.34435%0.353SS..Hα-helixtrans-62-32.8172.6-23.635.1000113.6L385 L392 K393L385-P389 WeakPolarHBondContact O-CD 3.24Å; L385-P389 WeakPolarHBondContact O-CG 3.42Å; P389-L392 PolarHBondContact O-N 3.15Å; P389-K393 WeakPolarHBondContact O-CB 3.31Å; P389-K393 WeakPolarHBondContact O-CG 3.36Å; P389-K393 PolarHBondContact O-N 3.05Å; P389-K393 VanDerWaalsContact O-N 3.15Å
390K93Very high88.3Confident100 Ų10066 Ų6644%0.43534%0.343SS..Hα-helixtrans-65.5-43.2175-78-176.6173.8-1720111.9V265 Q269 V386 A387 F388 L392 K393 R394V265-K390 HydrophobicContact CG1-CD 4.02Å; Q269-K390 HydrophobicContact CG-CB 4.13Å; V386-K390 HydrophobicContact CG1-CD 4.3Å; V386-K390 WeakPolarHBondContact O-CG 3.25Å; A387-K390 WeakPolarHBondContact O-CB 3.32Å; A387-K390 PolarHBondContact O-N 3.45Å; F388-K390 VanDerWaalsContact C-N 3.27Å; F388-K390 PolarHBondContact O-N 2.89Å; K390-L392 VanDerWaalsContact C-N 3.35Å; K390-L392 PolarHBondContact O-N 3.33Å; K390-K393 PolarHBondContact O-N 3.48Å; K390-R394 PolarHBondContact O-N 3.33Å; K390-R394 VanDerWaalsContact O-N 3.14Å
391A92.2Very high88.4Confident8 Ų867.3 Ų67.37%0.06635%0.353CS..Hα-helixtrans-61.4-43.2176.100000111.5Q269 H272 E273 L276 A387 F388 K393 R394Q269-A391 HydrophobicContact CG-CB 4.06Å; H272-A391 HydrophobicContact CB-CB 3.58Å; E273-A391 HydrophobicContact CG-CB 3.8Å; L276-A391 HydrophobicContact CD1-CB 4.28Å; A387-A391 PolarHBondContact O-N 2.96Å; F388-A391 PolarHBondContact O-N 2.92Å; A391-K393 VanDerWaalsContact C-N 3.29Å; A391-K393 PolarHBondContact O-N 3.02Å; A391-R394 WeakPolarHBondContact O-CB 3.33Å; A391-R394 PolarHBondContact O-N 2.93Å
392L91.5Very high88.1Confident105 Ų10570 Ų7055%0.5536%0.359SS..Hα-helixtrans-62.1-34.5176.3-71.5171.8000113.4L276 F388 P389 K390L276-L392 HydrophobicContact CD1-CD2 3.7Å; L276-L392 HydrophobicContact CD1-CG 4.24Å; L276-L392 HydrophobicContact CD2-CD2 4.13Å; F388-L392 HydrophobicContact CD1-CD1 4.01Å; F388-L392 HydrophobicContact CE1-CD1 3.67Å; F388-L392 HydrophobicContact CE1-CG 4.32Å; F388-L392 HydrophobicContact CZ-CD1 4.25Å; F388-L392 HydrophobicContact CZ-CG 4.49Å; F388-L392 PolarHBondContact O-N 3.4Å; F388-L392 VanDerWaalsContact O-N 3.08Å; P389-L392 PolarHBondContact O-N 3.15Å; K390-L392 VanDerWaalsContact C-N 3.35Å; K390-L392 PolarHBondContact O-N 3.33Å
393K89.3Confident87.6Confident177 Ų17772.4 Ų72.477%0.7737%0.374SS*.THydrogen-bonded Turntrans-89.60.6-178.3-68.8179.1-178.6-177.10113.7P389 K390 A391 K395P389-K393 WeakPolarHBondContact O-CB 3.31Å; P389-K393 WeakPolarHBondContact O-CG 3.36Å; P389-K393 PolarHBondContact O-N 3.05Å; P389-K393 VanDerWaalsContact O-N 3.15Å; K390-K393 PolarHBondContact O-N 3.48Å; A391-K393 VanDerWaalsContact C-N 3.29Å; A391-K393 PolarHBondContact O-N 3.02Å; K393-K395 PolarHBondContact O-N 2.91Å
394R84.5Confident86.9Confident78 Ų7874.1 Ų74.129%0.29439%0.386SS..PPolyproline II helixtrans-64.7127.6-176.7-170.972-179160.87.5110.3D222 E273 K390 A391 K396D222-R394 PolarHBondContact O-NE 3.03Å; E273-R394 WeakPolarHBondContact OE1-CD 3.32Å; E273-R394 WeakPolarHBondContact OE1-CG 3.14Å; E273-R394 IonicContact OE1-NE 3.69Å; K390-R394 PolarHBondContact O-N 3.33Å; K390-R394 VanDerWaalsContact O-N 3.14Å; A391-R394 WeakPolarHBondContact O-CB 3.33Å; A391-R394 PolarHBondContact O-N 2.93Å; R394-K396 PolarHBondContact O-N 3.21Å
395K75.8Confident86.4Confident175 Ų17574.6 Ų74.676%0.76139%0.389SS*.PPolyproline II helixtrans-73.3122.8175.2-68.5-174.3178.9-177.80109.5K393K393-K395 PolarHBondContact O-N 2.91Å
396K76.5Confident85.8Confident195 Ų19575.5 Ų75.585%0.84840%0.395SS*.THydrogen-bonded Turntrans-71.1136.8173.5-61.9-176.1178.7-177.50110R394R394-K396 PolarHBondContact O-N 3.21Å
397G76.8Confident85.2Confident61 Ų6174.3 Ų74.363%0.62938%0.384SS*.THydrogen-bonded Turntrans83.7-1.9177.700000117.4D222D222-G397 PolarHBondContact OD2-N 2.92Å
398G81.3Confident84.4Confident34 Ų3475.7 Ų75.735%0.35140%0.398SS..SBendtrans-92.2143.2174.100000112.1D222 A400D222-G398 VanDerWaalsContact CA-O 3.22Å; D222-G398 WeakPolarHBondContact CA-O 3.25Å; D222-G398 WeakPolarHBondContact CB-O 3.23Å; G398-A400 PolarHBondContact O-N 3.26Å
399Y86.4Confident83.2Confident107 Ų10777.5 Ų77.542%0.4241%0.41SS..  trans-59.1133.5179.2-67.6-74.1000112.7R112 N116 T221 T401R112-Y399 HydrophobicContact CB-CD1 3.72Å; R112-Y399 HydrophobicContact CB-CD2 4.44Å; R112-Y399 HydrophobicContact CB-CE1 3.95Å; R112-Y399 HydrophobicContact CB-CG 3.99Å; R112-Y399 HydrophobicContact CG-CD1 4.21Å; R112-Y399 HydrophobicContact CG-CD2 4.1Å; R112-Y399 HydrophobicContact CG-CE1 4.22Å; R112-Y399 HydrophobicContact CG-CE2 4.11Å; R112-Y399 HydrophobicContact CG-CG 4.16Å; R112-Y399 VanDerWaalsContact O-CD1 3.26Å; R112-Y399 WeakPolarHBondContact O-CD1 3.22Å; N116-Y399 HydrophobicContact CB-CE1 4.4Å; T221-Y399 HydrophobicContact CG2-CD1 4.46Å; T221-Y399 HydrophobicContact CG2-CE1 4.34Å; T221-Y399 CarbonylContact O-C 3.22Å; T221-Y399 WeakPolarHBondContact O-CA 3.23Å; Y399-T401 PolarHBondContact O-N 2.85Å
400A85.5Confident81.8Confident7 Ų775.8 Ų75.86%0.05840%0.399CS..  trans-87.992.2174.800000111.5G113 T221 M223 G398G113-A400 WeakPolarHBondContact CA-O 3.34Å; T221-A400 PolarHBondContact O-N 3.41Å; M223-A400 WeakPolarHBondContact O-CB 3.42Å; G398-A400 PolarHBondContact O-N 3.26Å
401T87.3Confident79.8Confident66 Ų6679 Ų7941%0.40542%0.415SS..  trans-104.3147.3175.862.40000111.1N111 Y399N111-T401 VanDerWaalsContact OD1-CB 3.26Å; N111-T401 WeakPolarHBondContact OD1-CB 3.47Å; N111-T401 WeakPolarHBondContact OD1-CG2 3.41Å; Y399-T401 PolarHBondContact O-N 2.85Å
402W83.3Confident77.6Confident77 Ų7790.4 Ų90.429%0.29246%0.457SS..  trans-157156.6173.456.2-88.4000109.5
403S81.3Confident76.9Confident86 Ų8689.7 Ų89.760%0.60145%0.452SS*.PPolyproline II helixtrans-95.6140179.460.60000111.5
404S80.5Confident76.3Confident38 Ų3885.1 Ų85.127%0.26644%0.435SS..PPolyproline II helixtrans-51.7138.9172.9-66.70000111.5E58E58-S404 PolarHBondContact OE1-OG 3.27Å
405P81.5Confident75.8Confident30 Ų3085.4 Ų85.420%0.19544%0.443CS..PPolyproline II helixtrans-72.2161.2177.331.9-34.3000110.6P254 R407P254-P405 HydrophobicContact CB-CB 4.2Å; P254-P405 HydrophobicContact CG-CB 3.84Å; P254-P405 HydrophobicContact CG-CG 3.84Å; P405-R407 PolarHBondContact O-N 2.91Å
406D81.2Confident75.9Confident87 Ų8780.2 Ų80.247%0.46542%0.424SS..PPolyproline II helixtrans-60.6126.4165167.558.5000110.1P254 E255 T256 G408P254-D406 VanDerWaalsContact CA-O 3.24Å; P254-D406 WeakPolarHBondContact CA-O 3.29Å; E255-D406 PolarHBondContact N-O 3.49Å; T256-D406 VanDerWaalsContact CG2-OD2 3.24Å; T256-D406 WeakPolarHBondContact CG2-OD2 3.48Å; D406-G408 PolarHBondContact OD1-N 3.36Å
407R81.1Confident75.8Confident29 Ų2973 Ų7311%0.10940%0.398CS..  trans-108.57.1-177.5-68.8164175.9142.1-2.5112.4E58 D136 N168 L252 P405 T410E58-R407 VanDerWaalsContact CD-NH1 3.28Å; E58-R407 IonicContact OE1-CZ 3.79Å; E58-R407 IonicContact OE1-NH1 2.84Å; E58-R407 PolarHBondContact OE1-NH1 3.5Å; E58-R407 VanDerWaalsContact OE1-NH1 3.11Å; E58-R407 IonicContact OE1-NH2 3.43Å; E58-R407 PolarHBondContact OE1-NH2 2.9Å; E58-R407 IonicContact OE2-CZ 2.69Å; E58-R407 IonicContact OE2-NH1 3.41Å; E58-R407 PolarHBondContact OE2-NH1 2.74Å; E58-R407 IonicContact OE2-NH2 3.86Å; D136-R407 IonicContact OD2-CZ 3.05Å; D136-R407 IonicContact OD2-NE 2.62Å; D136-R407 PolarHBondContact OD2-NE 3.32Å; D136-R407 IonicContact OD2-NH2 3.76Å; D136-R407 PolarHBondContact OD2-NH2 2.75Å; N168-R407 PolarHBondContact ND2-O 3.36Å; L252-R407 HydrophobicContact CB-CB 4.12Å; L252-R407 HydrophobicContact CB-CG 3.82Å; L252-R407 HydrophobicContact CD1-CB 4.37Å; P405-R407 PolarHBondContact O-N 2.91Å; R407-T410 HydrophobicContact CB-CG2 4.2Å
408G77.9Confident75.8Confident29 Ų2973.8 Ų73.830%0.29938%0.382SS..  trans59.1-140.8-178.200000112.2E255 D406 T410E255-G408 WeakPolarHBondContact OE2-CA 3.21Å; D406-G408 PolarHBondContact OD1-N 3.36Å; G408-T410 PolarHBondContact O-N 3.22Å
409N66.7Low75.4Confident85 Ų8576.6 Ų76.646%0.45539%0.385SS..  trans-77.6109.6-178.8-168-13.5000111.4Q411N409-Q411 PolarHBondContact OD1-N 3.01Å; N409-Q411 VanDerWaalsContact OD1-N 3.14Å
410T64.2Low74.5Confident17 Ų1774.3 Ų74.310%0.10438%0.382CS..  trans-82.9-20.1-177.456.50000113.8R167 L252 R407 G408 R412R167-T410 PolarHBondContact NH2-O 3.46Å; L252-T410 HydrophobicContact CD1-CG2 3.75Å; R407-T410 HydrophobicContact CB-CG2 4.2Å; G408-T410 PolarHBondContact O-N 3.22Å; T410-R412 VanDerWaalsContact C-N 3.28Å; T410-R412 PolarHBondContact O-N 3.35Å
411Q51.2Low73.6Confident168 Ų16879.9 Ų79.979%0.78541%0.409SS*.  trans-82.232.5-167.5-67.2-168.9-12.100115.6N409N409-Q411 PolarHBondContact OD1-N 3.01Å; N409-Q411 VanDerWaalsContact OD1-N 3.14Å
412R46.8Very low72.3Confident247 Ų24781.2 Ų81.293%0.93241%0.409SS*.  trans-134.50179.2-66.9-170.9-179.3-1750.7114.6R167 T410R167-R412 PolarHBondContact NE-O 3.03Å; R167-R412 VanDerWaalsContact NE-O 3.08Å; T410-R412 VanDerWaalsContact C-N 3.28Å; T410-R412 PolarHBondContact O-N 3.35Å

Retrieved 412 of 412 residues in 834.4 ms (Link to these results)

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