A0A077ZB56_TRITR Loading...

Pyridine nucleotide-disulfide oxidoreductase domain-containing protein 1

AlphaFold DB , UniProt , Accession A0A077ZB56, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 486 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
1M51.4Low86Confident172 Ų17255.9 Ų55.985%0.84729%0.294SS*.  01020-103.1-176.9-93.700105.2L3 G97M1-L3 PolarHBondContact O-N 3.37Å; M1-G97 VanDerWaalsContact SD-O 3.39Å
2D59Low86.8Confident161 Ų16152 Ų5286%0.86128%0.277SS*.  trans-74.2108.6171.9-69.4-21.9000106.4C4D2-C4 PolarHBondContact O-N 3.12Å
3L62.6Low87.3Confident89 Ų8948.3 Ų48.347%0.46626%0.259SS..  trans-71.7114.7177.4-176.174.1000107.7M1 T99 K101M1-L3 PolarHBondContact O-N 3.37Å; L3-T99 HydrophobicContact CD1-CG2 3.82Å; L3-K101 HydrophobicContact CD1-CD 4.4Å; L3-K101 HydrophobicContact CD1-CG 4.08Å; L3-K101 HydrophobicContact CD2-CD 3.83Å; L3-K101 HydrophobicContact CD2-CG 4.37Å; L3-K101 HydrophobicContact CG-CD 4.38Å; L3-K101 HydrophobicContact CG-CG 4.4Å
4C87.2Confident87.8Confident57 Ų5745.8 Ų45.839%0.38525%0.25SS..EExtended strand (participates in β ladder)trans-97.7136.8175.1-169.80000109.4D2 T99 F100 K101D2-C4 PolarHBondContact O-N 3.12Å; C4-T99 PolarHBondContact N-O 3.28Å; C4-F100 HydrophobicContact CB-CD1 3.76Å; C4-F100 HydrophobicContact CB-CE1 3.99Å; C4-F100 CarbonylContact O-C 3.55Å; C4-F100 VanDerWaalsContact O-CA 3.25Å; C4-F100 WeakPolarHBondContact O-CA 2.99Å; C4-K101 PolarHBondContact O-N 2.65Å
5E94.5Very high88.3Confident115 Ų11543.3 Ų43.354%0.53724%0.237SC..EExtended strand (participates in β ladder)trans-114139177.9-173.7175168.800109.4K101E5-K101 WeakPolarHBondContact CA-O 3.49Å; E5-K101 HydrophobicContact CB-CB 4.26Å; E5-K101 HydrophobicContact CG-CB 4.04Å
6A97.8Very high88.9Confident5 Ų541 Ų414%0.04123%0.226CC..EExtended strand (participates in β ladder)trans-132.3149.2169.400000109.5I9 S32 L34 K101 Y102 R103A6-I9 HydrophobicContact CB-CG1 4.05Å; A6-S32 WeakPolarHBondContact CA-OG 3.44Å; A6-L34 HydrophobicContact CB-CB 3.66Å; A6-K101 PolarHBondContact N-O 3.08Å; A6-Y102 WeakPolarHBondContact O-CA 3.25Å; A6-R103 PolarHBondContact O-N 3.02Å
7T98.5Very high89.5Confident9 Ų938.6 Ų38.66%0.05521%0.212CC..EExtended strand (participates in β ladder)trans-63.7-51.8174.9-60.40000109.5E31 S32 R103 K104 F380T7-E31 VanDerWaalsContact CB-OE2 3.32Å; T7-E31 WeakPolarHBondContact CB-OE2 3.19Å; T7-E31 HydrophobicContact CG2-CB 4.19Å; T7-E31 HydrophobicContact CG2-CG 4.24Å; T7-E31 VanDerWaalsContact CG2-OE2 3.31Å; T7-E31 WeakPolarHBondContact CG2-OE2 3.29Å; T7-E31 PolarHBondContact OG1-OE2 3.23Å; T7-S32 WeakPolarHBondContact CB-O 3.01Å; T7-S32 PolarHBondContact N-O 3.18Å; T7-S32 PolarHBondContact N-OG 2.9Å; T7-R103 HydrophobicContact CG2-CB 4.48Å; T7-R103 WeakPolarHBondContact O-CA 3.34Å; T7-R103 WeakPolarHBondContact O-CB 3.2Å; T7-R103 PolarHBondContact O-N 3.01Å; T7-K104 PolarHBondContact O-N 3.26Å; T7-F380 HydrophobicContact CG2-CD2 4.03Å; T7-F380 HydrophobicContact CG2-CE1 4.14Å; T7-F380 HydrophobicContact CG2-CE2 3.54Å; T7-F380 HydrophobicContact CG2-CZ 3.59Å
8F98.8Very high89.9Confident0 Ų036.6 Ų36.60%020%0.201CC..EExtended strand (participates in β ladder)trans-113.7129.9178.2-55.4-75.8000110.1L24 C28 E31 S32 I33 L34 K104 M376 F380F8-L24 HydrophobicContact CB-CD1 3.9Å; F8-L24 HydrophobicContact CD1-CD1 4.38Å; F8-L24 HydrophobicContact CD1-CD2 3.78Å; F8-L24 HydrophobicContact CD2-CD2 4.12Å; F8-L24 HydrophobicContact CE1-CD2 3.91Å; F8-L24 HydrophobicContact CE2-CD2 4.22Å; F8-L24 HydrophobicContact CG-CD1 4.11Å; F8-L24 HydrophobicContact CG-CD2 3.91Å; F8-L24 HydrophobicContact CZ-CD2 4.13Å; F8-C28 HydrophobicContact CE2-CB 3.81Å; F8-C28 HydrophobicContact CZ-CB 4.47Å; F8-E31 HydrophobicContact CD2-CB 4.07Å; F8-E31 HydrophobicContact CE2-CB 3.67Å; F8-E31 HydrophobicContact CE2-CG 4Å; F8-S32 PolarHBondContact N-O 3.12Å; F8-I33 HydrophobicContact CB-CG1 4.25Å; F8-I33 HydrophobicContact CD2-CG1 4.06Å; F8-I33 WeakPolarHBondContact O-CA 3.07Å; F8-L34 PolarHBondContact O-N 2.88Å; F8-K104 WeakPolarHBondContact CA-O 3.27Å; F8-K104 HydrophobicContact CD1-CB 3.77Å; F8-K104 HydrophobicContact CD1-CG 4.22Å; F8-K104 HydrophobicContact CE1-CB 4.08Å; F8-K104 HydrophobicContact CE1-CG 4.01Å; F8-M376 HydrophobicContact CB-CE 4.33Å; F8-M376 HydrophobicContact CD1-CB 4.38Å; F8-M376 HydrophobicContact CD1-CE 3.82Å; F8-M376 HydrophobicContact CE1-CB 4.26Å; F8-F380 HydrophobicContact CE1-CB 3.96Å; F8-F380 HydrophobicContact CE1-CG 4.21Å; F8-F380 HydrophobicContact CZ-CB 3.81Å; F8-F380 AromaticContact CZ-CD1 3.93Å; F8-F380 HydrophobicContact CZ-CD1 3.93Å; F8-F380 HydrophobicContact CZ-CD2 4.36Å; F8-F380 AromaticContact CZ-CG 3.77Å; F8-F380 HydrophobicContact CZ-CG 3.77Å
9I98.8Very high90.3Very high0 Ų034.8 Ų34.80%019%0.192CC..EExtended strand (participates in β ladder)trans-113.8131.5165.5-59.8-171.8000109.4A6 V11 L34 L36 I92 F100 K104 L105 C106A6-I9 HydrophobicContact CB-CG1 4.05Å; I9-V11 HydrophobicContact CG2-CG2 4.2Å; I9-L34 CarbonylContact C-O 3.42Å; I9-L34 VanDerWaalsContact CA-O 3.26Å; I9-L34 WeakPolarHBondContact CA-O 3.12Å; I9-L34 HydrophobicContact CD1-CD2 4.05Å; I9-L34 HydrophobicContact CG1-CB 4.21Å; I9-L34 HydrophobicContact CG1-CD2 4.33Å; I9-L36 HydrophobicContact CG2-CD1 3.96Å; I9-L36 HydrophobicContact CG2-CG 4.13Å; I9-I92 HydrophobicContact CB-CD1 4.39Å; I9-I92 HydrophobicContact CD1-CD1 4.36Å; I9-I92 HydrophobicContact CG2-CD1 3.86Å; I9-F100 HydrophobicContact CD1-CB 3.69Å; I9-K104 PolarHBondContact N-O 2.74Å; I9-L105 HydrophobicContact CB-CD1 4.1Å; I9-L105 HydrophobicContact CG2-CD1 4.02Å; I9-L105 CarbonylContact O-C 3.5Å; I9-L105 VanDerWaalsContact O-CA 3.3Å; I9-L105 WeakPolarHBondContact O-CA 3.45Å; I9-L105 WeakPolarHBondContact O-CD1 3.23Å; I9-C106 PolarHBondContact O-N 2.71Å
10V98.8Very high90.8Very high0 Ų033.1 Ų33.10%018%0.182CC..EExtended strand (participates in β ladder)trans-116.4124.8172-1770000108.7A17 C20 V21 L24 L34 M35 L36 C106 A108V10-A17 HydrophobicContact CG1-CB 3.88Å; V10-C20 HydrophobicContact CG1-CB 4.42Å; V10-V21 HydrophobicContact CB-CG2 3.85Å; V10-V21 HydrophobicContact CG1-CG2 4.14Å; V10-V21 HydrophobicContact CG2-CG2 3.79Å; V10-L24 HydrophobicContact CG2-CD1 3.91Å; V10-L34 PolarHBondContact N-O 3.24Å; V10-M35 CarbonylContact O-C 3.3Å; V10-M35 WeakPolarHBondContact O-CA 3.47Å; V10-L36 PolarHBondContact O-N 3.27Å; V10-C106 HydrophobicContact CB-CB 4.45Å; V10-C106 HydrophobicContact CG1-CB 4.21Å; V10-C106 HydrophobicContact CG2-CB 4.13Å; V10-A108 HydrophobicContact CG1-CB 4.47Å
11V98.5Very high91.1Very high7 Ų731.5 Ų31.54%0.04217%0.174CC..EExtended strand (participates in β ladder)trans-105.6118.1180-1760000109.6I9 L36 V82 I92 L105 C106 L107 A108 T109 F311I9-V11 HydrophobicContact CG2-CG2 4.2Å; V11-L36 WeakPolarHBondContact CA-O 3.24Å; V11-L36 HydrophobicContact CG2-CB 4.43Å; V11-L36 HydrophobicContact CG2-CD1 4.47Å; V11-V82 HydrophobicContact CG1-CB 4.02Å; V11-V82 HydrophobicContact CG1-CG2 3.68Å; V11-V82 HydrophobicContact CG2-CG2 4.11Å; V11-I92 HydrophobicContact CG2-CD1 4.03Å; V11-L105 HydrophobicContact CG2-CD1 3.71Å; V11-C106 PolarHBondContact N-O 3.49Å; V11-L107 HydrophobicContact CB-CD2 4.2Å; V11-L107 HydrophobicContact CG2-CD2 4.22Å; V11-A108 CarbonylContact O-C 3.58Å; V11-A108 WeakPolarHBondContact O-CA 3.44Å; V11-A108 PolarHBondContact O-N 2.82Å; V11-T109 HydrophobicContact CB-CG2 4.45Å; V11-T109 HydrophobicContact CG1-CG2 3.8Å; V11-F311 HydrophobicContact CG1-CZ 4.13Å
12G96.1Very high93.3Very high9 Ų925.9 Ų25.99%0.09315%0.145CC..  trans136.7156.5-177.500000111.8A17 M35 L36G12-A17 VanDerWaalsContact C-CB 3.47Å; G12-A17 VanDerWaalsContact O-CB 3.26Å; G12-A17 WeakPolarHBondContact O-CB 3.18Å; G12-M35 WeakPolarHBondContact O-CE 3.13Å; G12-L36 PolarHBondContact N-O 2.93Å
13G93.5Very high95.2Very high4 Ų420 Ų204%0.04111%0.112CC..SBendtrans-114.4-0.3176.400000114.2T37 V42 K43G13-T37 WeakPolarHBondContact CA-OG1 3.34Å; G13-V42 CarbonylContact O-C 3.44Å; G13-V42 VanDerWaalsContact O-CA 3.29Å; G13-V42 WeakPolarHBondContact O-CA 3.47Å; G13-K43 PolarHBondContact O-N 3.17Å
14G94.2Very high96.9Very high13 Ų1315.7 Ų15.713%0.1349%0.09CC..SBendtrans-87-177.9-173.600000114.2A16 A17 M18 S223G14-A16 VanDerWaalsContact C-N 3.28Å; G14-A16 PolarHBondContact O-N 3.08Å; G14-A17 WeakPolarHBondContact O-CB 3.09Å; G14-A17 PolarHBondContact O-N 3.06Å; G14-M18 PolarHBondContact O-N 3.48Å; G14-S223 PolarHBondContact N-OG 3.4Å
15V95.4Very high97.5Very high8 Ų813.4 Ų13.45%0.0488%0.075CC..Hα-helixtrans-52.7-43.1-179.2176.70000112.5A17 S19 K43 V45 V60 A365 R366V15-A17 PolarHBondContact O-N 3.06Å; V15-S19 VanDerWaalsContact O-CB 3.28Å; V15-S19 WeakPolarHBondContact O-CB 3.49Å; V15-S19 PolarHBondContact O-N 3.03Å; V15-S19 PolarHBondContact O-OG 3.42Å; V15-K43 HydrophobicContact CG2-CB 4.15Å; V15-V45 HydrophobicContact CG1-CG2 3.95Å; V15-V60 HydrophobicContact CG2-CG1 3.95Å; V15-V60 HydrophobicContact CG2-CG2 3.77Å; V15-A365 HydrophobicContact CB-CB 4.39Å; V15-R366 HydrophobicContact CG1-CB 3.74Å; V15-R366 HydrophobicContact CG1-CG 4.46Å
16A98Very high97.6Very high7 Ų714.5 Ų14.56%0.0588%0.082CC..Hα-helixtrans-63.2-42.117800000112.6G14 C20 A108 A342 A365 G369G14-A16 VanDerWaalsContact C-N 3.28Å; G14-A16 PolarHBondContact O-N 3.08Å; A16-C20 WeakPolarHBondContact O-CB 3.44Å; A16-C20 PolarHBondContact O-N 3.29Å; A16-A108 HydrophobicContact CB-CB 4.15Å; A16-A342 HydrophobicContact CB-CB 4.32Å; A16-A365 WeakPolarHBondContact CA-O 3.48Å; A16-A365 HydrophobicContact CB-CB 4.14Å; A16-A365 VanDerWaalsContact CB-O 3.28Å; A16-A365 WeakPolarHBondContact CB-O 3.44Å; A16-G369 VanDerWaalsContact O-CA 3.24Å; A16-G369 WeakPolarHBondContact O-CA 3.39Å
17A98.2Very high97.6Very high0 Ų017.3 Ų17.30%010%0.096CC..Hα-helixtrans-66.5-48179.800000110.8V10 G12 G14 V15 C20 V21 M35 A108V10-A17 HydrophobicContact CG1-CB 3.88Å; G12-A17 VanDerWaalsContact C-CB 3.47Å; G12-A17 VanDerWaalsContact O-CB 3.26Å; G12-A17 WeakPolarHBondContact O-CB 3.18Å; G14-A17 WeakPolarHBondContact O-CB 3.09Å; G14-A17 PolarHBondContact O-N 3.06Å; V15-A17 PolarHBondContact O-N 3.06Å; A17-C20 WeakPolarHBondContact O-CB 3.29Å; A17-C20 PolarHBondContact O-N 3.47Å; A17-V21 WeakPolarHBondContact O-CG2 3.45Å; A17-V21 PolarHBondContact O-N 3.1Å; A17-M35 HydrophobicContact CB-CE 3.96Å; A17-A108 HydrophobicContact CB-CB 3.78Å
18M97.1Very high97.6Very high2 Ų217.1 Ų17.11%0.0110%0.095CC..Hα-helixtrans-63.6-43.6177.8-78.8-54.4-60.100112.4G14 C20 V21 E22 M35 V42 K43 I44 V68G14-M18 PolarHBondContact O-N 3.48Å; M18-C20 VanDerWaalsContact C-N 3.25Å; M18-C20 PolarHBondContact O-N 2.82Å; M18-V21 PolarHBondContact O-N 2.86Å; M18-E22 WeakPolarHBondContact O-CB 3.05Å; M18-E22 VanDerWaalsContact O-CG 3.28Å; M18-E22 WeakPolarHBondContact O-CG 3.25Å; M18-E22 PolarHBondContact O-N 3.05Å; M18-M35 HydrophobicContact CG-CE 4.04Å; M18-M35 HydrophobicContact SD-CE 3.57Å; M18-M35 VanDerWaalsContact SD-CE 3.57Å; M18-M35 HydrophobicContact SD-SD 3.62Å; M18-M35 VanDerWaalsContact SD-SD 3.62Å; M18-V42 HydrophobicContact CE-CG2 4.26Å; M18-V42 HydrophobicContact CG-CB 3.8Å; M18-V42 HydrophobicContact CG-CG2 3.96Å; M18-V42 HydrophobicContact SD-CB 3.8Å; M18-V42 HydrophobicContact SD-CG1 4.13Å; M18-V42 HydrophobicContact SD-CG2 3.64Å; M18-K43 WeakPolarHBondContact CB-O 3.23Å; M18-K43 VanDerWaalsContact CG-O 3.26Å; M18-K43 WeakPolarHBondContact CG-O 3.29Å; M18-I44 HydrophobicContact CB-CG2 4.47Å; M18-I44 HydrophobicContact CE-CG2 3.81Å; M18-I44 HydrophobicContact CG-CG2 4.06Å; M18-V68 HydrophobicContact CE-CG1 4.11Å; M18-V68 HydrophobicContact CE-CG2 4.09Å; M18-V68 HydrophobicContact SD-CG1 4.49Å; M18-V68 HydrophobicContact SD-CG2 4.3Å
19S98.1Very high97.5Very high4 Ų420.9 Ų20.93%0.02812%0.119CC..Hα-helixtrans-61.6-36177.2-54.70000111.8V15 Q23 R366V15-S19 VanDerWaalsContact O-CB 3.28Å; V15-S19 WeakPolarHBondContact O-CB 3.49Å; V15-S19 PolarHBondContact O-N 3.03Å; V15-S19 PolarHBondContact O-OG 3.42Å; S19-Q23 VanDerWaalsContact O-CG 3.29Å; S19-Q23 WeakPolarHBondContact O-CG 3.41Å; S19-Q23 PolarHBondContact O-N 2.95Å; S19-R366 WeakPolarHBondContact OG-CG 2.95Å
20C98.8Very high97.4Very high0 Ų028.4 Ų28.40%016%0.159CC..Hα-helixtrans-66.7-47.9173.9-177.90000111.8V10 A16 A17 M18 E22 Q23 L24 G369V10-C20 HydrophobicContact CG1-CB 4.42Å; A16-C20 WeakPolarHBondContact O-CB 3.44Å; A16-C20 PolarHBondContact O-N 3.29Å; A17-C20 WeakPolarHBondContact O-CB 3.29Å; A17-C20 PolarHBondContact O-N 3.47Å; M18-C20 VanDerWaalsContact C-N 3.25Å; M18-C20 PolarHBondContact O-N 2.82Å; C20-E22 PolarHBondContact O-N 2.86Å; C20-Q23 PolarHBondContact O-N 3.22Å; C20-L24 WeakPolarHBondContact O-CG 3.24Å; C20-L24 PolarHBondContact O-N 3.45Å; C20-G369 WeakPolarHBondContact CA-O 3.47Å; C20-G369 VanDerWaalsContact CB-O 3.28Å; C20-G369 WeakPolarHBondContact CB-O 3.46Å; C20-G369 PolarHBondContact N-O 2.88Å
21V98.6Very high97.4Very high0 Ų031 Ų310%017%0.171CC..Hα-helixtrans-60.3-43.9178168.40000111.6V10 A17 M18 Q23 L24 A25 I33 M35 V75V10-V21 HydrophobicContact CB-CG2 3.85Å; V10-V21 HydrophobicContact CG1-CG2 4.14Å; V10-V21 HydrophobicContact CG2-CG2 3.79Å; A17-V21 WeakPolarHBondContact O-CG2 3.45Å; A17-V21 PolarHBondContact O-N 3.1Å; M18-V21 PolarHBondContact O-N 2.86Å; V21-Q23 VanDerWaalsContact C-N 3.35Å; V21-Q23 PolarHBondContact O-N 2.93Å; V21-L24 PolarHBondContact O-N 2.81Å; V21-A25 VanDerWaalsContact O-CB 3.28Å; V21-A25 WeakPolarHBondContact O-CB 3.23Å; V21-A25 PolarHBondContact O-N 2.92Å; V21-I33 HydrophobicContact CG1-CG2 4.39Å; V21-I33 HydrophobicContact CG2-CG2 4.38Å; V21-M35 HydrophobicContact CG2-CB 4.32Å; V21-M35 HydrophobicContact CG2-CG 4.28Å; V21-M35 HydrophobicContact CG2-SD 4.09Å; V21-V75 HydrophobicContact CG1-CB 4.44Å; V21-V75 HydrophobicContact CG1-CG1 3.76Å; V21-V75 HydrophobicContact CG1-CG2 3.76Å
22E97.9Very high97.3Very high54 Ų5433.1 Ų33.125%0.25219%0.187SC..Hα-helixtrans-59.8-44.2178.6-74.2173.5173.700111.9M18 C20 A25 M26 F72M18-E22 WeakPolarHBondContact O-CB 3.05Å; M18-E22 VanDerWaalsContact O-CG 3.28Å; M18-E22 WeakPolarHBondContact O-CG 3.25Å; M18-E22 PolarHBondContact O-N 3.05Å; C20-E22 PolarHBondContact O-N 2.86Å; E22-A25 PolarHBondContact O-N 2.97Å; E22-M26 WeakPolarHBondContact O-CB 3.12Å; E22-M26 PolarHBondContact O-N 2.79Å; E22-M26 VanDerWaalsContact O-N 3.11Å; E22-F72 HydrophobicContact CG-CE2 4.22Å; E22-F72 HydrophobicContact CG-CZ 3.86Å
23Q98.4Very high97.4Very high36 Ų3632.9 Ų32.917%0.16818%0.183CC..Hα-helixtrans-66.7-43.9177.3-67.2-63.6-48.500111.6S19 C20 V21 A25 M26 L27 A370S19-Q23 VanDerWaalsContact O-CG 3.29Å; S19-Q23 WeakPolarHBondContact O-CG 3.41Å; S19-Q23 PolarHBondContact O-N 2.95Å; C20-Q23 PolarHBondContact O-N 3.22Å; V21-Q23 VanDerWaalsContact C-N 3.35Å; V21-Q23 PolarHBondContact O-N 2.93Å; Q23-A25 PolarHBondContact O-N 2.7Å; Q23-M26 PolarHBondContact O-N 3.04Å; Q23-L27 HydrophobicContact CB-CD1 4.38Å; Q23-L27 VanDerWaalsContact O-CB 3.28Å; Q23-L27 WeakPolarHBondContact O-CB 3.31Å; Q23-L27 WeakPolarHBondContact O-CD1 3.35Å; Q23-L27 WeakPolarHBondContact O-CG 3.38Å; Q23-L27 PolarHBondContact O-N 3Å; Q23-A370 HydrophobicContact CG-CB 3.9Å; Q23-A370 WeakPolarHBondContact CG-O 3.41Å
24L98.8Very high97.7Very high0 Ų033.1 Ų33.10%018%0.184CC..Hα-helixtrans-62.1-44176.3-72.3170.1000111.8F8 V10 C20 V21 M26 L27 C28 I33 G373 M376 A377F8-L24 HydrophobicContact CB-CD1 3.9Å; F8-L24 HydrophobicContact CD1-CD1 4.38Å; F8-L24 HydrophobicContact CD1-CD2 3.78Å; F8-L24 HydrophobicContact CD2-CD2 4.12Å; F8-L24 HydrophobicContact CE1-CD2 3.91Å; F8-L24 HydrophobicContact CE2-CD2 4.22Å; F8-L24 HydrophobicContact CG-CD1 4.11Å; F8-L24 HydrophobicContact CG-CD2 3.91Å; F8-L24 HydrophobicContact CZ-CD2 4.13Å; V10-L24 HydrophobicContact CG2-CD1 3.91Å; C20-L24 WeakPolarHBondContact O-CG 3.24Å; C20-L24 PolarHBondContact O-N 3.45Å; V21-L24 PolarHBondContact O-N 2.81Å; L24-M26 VanDerWaalsContact C-N 3.26Å; L24-M26 PolarHBondContact O-N 3.2Å; L24-L27 PolarHBondContact O-N 3.08Å; L24-C28 WeakPolarHBondContact O-CA 3.45Å; L24-C28 WeakPolarHBondContact O-CB 3.48Å; L24-C28 PolarHBondContact O-N 3.45Å; L24-I33 VanDerWaalsContact C-CD1 3.46Å; L24-I33 HydrophobicContact CB-CD1 3.62Å; L24-I33 HydrophobicContact CB-CG1 4.18Å; L24-G373 WeakPolarHBondContact CD2-O 3.14Å; L24-M376 HydrophobicContact CD1-CE 3.97Å; L24-M376 HydrophobicContact CD1-SD 4.39Å; L24-M376 HydrophobicContact CD2-CB 3.92Å; L24-A377 HydrophobicContact CD2-CB 4.3Å
25A98.1Very high97.8Very high8 Ų832.5 Ų32.57%0.06618%0.177CC..Hα-helixtrans-61.3-38.6-179.700000111.4V21 E22 Q23 I33 F72 V75V21-A25 VanDerWaalsContact O-CB 3.28Å; V21-A25 WeakPolarHBondContact O-CB 3.23Å; V21-A25 PolarHBondContact O-N 2.92Å; E22-A25 PolarHBondContact O-N 2.97Å; Q23-A25 PolarHBondContact O-N 2.7Å; A25-I33 VanDerWaalsContact CA-CD1 3.46Å; A25-I33 HydrophobicContact CB-CD1 4.02Å; A25-I33 VanDerWaalsContact N-CD1 3.3Å; A25-F72 HydrophobicContact CB-CB 4.26Å; A25-F72 HydrophobicContact CB-CD1 3.6Å; A25-F72 HydrophobicContact CB-CE1 4.18Å; A25-F72 HydrophobicContact CB-CG 4.06Å; A25-V75 HydrophobicContact CB-CG2 3.89Å
26M97.3Very high97.9Very high139 Ų13932.2 Ų32.269%0.68518%0.176SC*.Hα-helixtrans-74.7-42.1177.8-171.2-178.3-59.600113.3E22 Q23 L24E22-M26 WeakPolarHBondContact O-CB 3.12Å; E22-M26 PolarHBondContact O-N 2.79Å; E22-M26 VanDerWaalsContact O-N 3.11Å; Q23-M26 PolarHBondContact O-N 3.04Å; L24-M26 VanDerWaalsContact C-N 3.26Å; L24-M26 PolarHBondContact O-N 3.2Å
27L98.1Very high97.7Very high63 Ų6332 Ų3233%0.3317%0.174SC..Hα-helixtrans-88.9-20.1-171.1-65168.5000114Q23 L24 P29 R374 A377 K381Q23-L27 HydrophobicContact CB-CD1 4.38Å; Q23-L27 VanDerWaalsContact O-CB 3.28Å; Q23-L27 WeakPolarHBondContact O-CB 3.31Å; Q23-L27 WeakPolarHBondContact O-CD1 3.35Å; Q23-L27 WeakPolarHBondContact O-CG 3.38Å; Q23-L27 PolarHBondContact O-N 3Å; L24-L27 PolarHBondContact O-N 3.08Å; L27-P29 VanDerWaalsContact C-CD 3.49Å; L27-R374 HydrophobicContact CD1-CB 4.42Å; L27-R374 HydrophobicContact CD1-CG 3.69Å; L27-A377 HydrophobicContact CB-CB 3.94Å; L27-A377 HydrophobicContact CD1-CB 4.16Å; L27-K381 PolarHBondContact O-NZ 3.45Å
28C97.9Very high97.4Very high6 Ų633.1 Ų33.14%0.04118%0.183CC..  trans-132.959.3-178.9-60.20000110.7F8 L24 D30 E31 N74 A377F8-C28 HydrophobicContact CE2-CB 3.81Å; F8-C28 HydrophobicContact CZ-CB 4.47Å; L24-C28 WeakPolarHBondContact O-CA 3.45Å; L24-C28 WeakPolarHBondContact O-CB 3.48Å; L24-C28 PolarHBondContact O-N 3.45Å; C28-D30 PolarHBondContact O-N 2.94Å; C28-D30 VanDerWaalsContact O-N 3.15Å; C28-E31 HydrophobicContact CB-CB 3.88Å; C28-E31 HydrophobicContact CB-CG 3.92Å; C28-E31 PolarHBondContact O-N 2.98Å; C28-N74 PolarHBondContact O-ND2 2.83Å; C28-N74 VanDerWaalsContact O-ND2 3.09Å; C28-A377 VanDerWaalsContact SG-CB 3.57Å
29P96.8Very high96.9Very high79 Ų7934.1 Ų34.151%0.51319%0.19SC..THydrogen-bonded Turntrans-61.9-25.4-174.626.2-35.8000113.7L27 N74L27-P29 VanDerWaalsContact C-CD 3.49Å; P29-N74 PolarHBondContact O-ND2 3Å
30D96.9Very high96.4Very high157 Ų15736.6 Ų36.684%0.8420%0.203SC*.THydrogen-bonded Turntrans-87.4-6.9179.2-59.8-47.3000113.4C28C28-D30 PolarHBondContact O-N 2.94Å; C28-D30 VanDerWaalsContact O-N 3.15Å
31E97.8Very high95.9Very high54 Ų5438.1 Ų38.125%0.25221%0.212SC..SBendtrans-99.1147.5-178.1-63.8-63158.900111.7T7 F8 C28 N74 F380T7-E31 VanDerWaalsContact CB-OE2 3.32Å; T7-E31 WeakPolarHBondContact CB-OE2 3.19Å; T7-E31 HydrophobicContact CG2-CB 4.19Å; T7-E31 HydrophobicContact CG2-CG 4.24Å; T7-E31 VanDerWaalsContact CG2-OE2 3.31Å; T7-E31 WeakPolarHBondContact CG2-OE2 3.29Å; T7-E31 PolarHBondContact OG1-OE2 3.23Å; F8-E31 HydrophobicContact CD2-CB 4.07Å; F8-E31 HydrophobicContact CE2-CB 3.67Å; F8-E31 HydrophobicContact CE2-CG 4Å; C28-E31 HydrophobicContact CB-CB 3.88Å; C28-E31 HydrophobicContact CB-CG 3.92Å; C28-E31 PolarHBondContact O-N 2.98Å; E31-N74 WeakPolarHBondContact O-CB 3.42Å; E31-N74 PolarHBondContact O-ND2 2.88Å; E31-F380 HydrophobicContact CG-CE1 3.93Å; E31-F380 WeakPolarHBondContact OE1-CE1 3.48Å
32S97.9Very high95.5Very high53 Ų5338.1 Ų38.137%0.37121%0.212SC..  trans-81.512917854.20000111.6A6 T7 F8A6-S32 WeakPolarHBondContact CA-OG 3.44Å; T7-S32 WeakPolarHBondContact CB-O 3.01Å; T7-S32 PolarHBondContact N-O 3.18Å; T7-S32 PolarHBondContact N-OG 2.9Å; F8-S32 PolarHBondContact N-O 3.12Å
33I98.6Very high95.2Very high3 Ų335.8 Ų35.82%0.01520%0.201CC..EExtended strand (participates in β ladder)trans-118.4127.6178.7-57.5159.4000108.4F8 V21 L24 A25 N74 V75 K76F8-I33 HydrophobicContact CB-CG1 4.25Å; F8-I33 HydrophobicContact CD2-CG1 4.06Å; F8-I33 WeakPolarHBondContact O-CA 3.07Å; V21-I33 HydrophobicContact CG1-CG2 4.39Å; V21-I33 HydrophobicContact CG2-CG2 4.38Å; L24-I33 VanDerWaalsContact C-CD1 3.46Å; L24-I33 HydrophobicContact CB-CD1 3.62Å; L24-I33 HydrophobicContact CB-CG1 4.18Å; A25-I33 VanDerWaalsContact CA-CD1 3.46Å; A25-I33 HydrophobicContact CB-CD1 4.02Å; A25-I33 VanDerWaalsContact N-CD1 3.3Å; I33-N74 PolarHBondContact N-O 2.76Å; I33-V75 HydrophobicContact CB-CG2 4.07Å; I33-V75 HydrophobicContact CD1-CG2 4.05Å; I33-V75 HydrophobicContact CG2-CG2 4.23Å; I33-V75 WeakPolarHBondContact O-CA 3.42Å; I33-K76 PolarHBondContact O-N 3.08Å
34L98.1Very high94.9Very high9 Ų935.3 Ų35.35%0.04720%0.199CC..EExtended strand (participates in β ladder)trans-118.4124.1175173.867.1000110A6 F8 I9 V10 L36 K76 V78 F100A6-L34 HydrophobicContact CB-CB 3.66Å; F8-L34 PolarHBondContact O-N 2.88Å; I9-L34 CarbonylContact C-O 3.42Å; I9-L34 VanDerWaalsContact CA-O 3.26Å; I9-L34 WeakPolarHBondContact CA-O 3.12Å; I9-L34 HydrophobicContact CD1-CD2 4.05Å; I9-L34 HydrophobicContact CG1-CB 4.21Å; I9-L34 HydrophobicContact CG1-CD2 4.33Å; V10-L34 PolarHBondContact N-O 3.24Å; L34-L36 HydrophobicContact CD1-CD2 4.26Å; L34-L36 HydrophobicContact CD2-CD2 4.03Å; L34-L36 HydrophobicContact CD2-CG 4.44Å; L34-L36 HydrophobicContact CG-CD2 4.05Å; L34-L36 HydrophobicContact CG-CG 4.35Å; L34-K76 CarbonylContact C-O 3.44Å; L34-K76 WeakPolarHBondContact CA-O 3.23Å; L34-K76 HydrophobicContact CD1-CB 4.17Å; L34-V78 HydrophobicContact CD1-CB 4.4Å; L34-V78 HydrophobicContact CD1-CG2 3.75Å; L34-F100 HydrophobicContact CD2-CB 4.07Å; L34-F100 HydrophobicContact CD2-CD1 3.26Å; L34-F100 HydrophobicContact CD2-CE1 3.8Å; L34-F100 HydrophobicContact CD2-CG 3.74Å
35M97.7Very high94.5Very high0 Ų036.7 Ų36.70%021%0.208CC..EExtended strand (participates in β ladder)trans-101.8124.7173.4-171.5177.9179.900109.7V10 G12 A17 M18 V21 V42 K76 V77 V78V10-M35 CarbonylContact O-C 3.3Å; V10-M35 WeakPolarHBondContact O-CA 3.47Å; G12-M35 WeakPolarHBondContact O-CE 3.13Å; A17-M35 HydrophobicContact CB-CE 3.96Å; M18-M35 HydrophobicContact CG-CE 4.04Å; M18-M35 HydrophobicContact SD-CE 3.57Å; M18-M35 VanDerWaalsContact SD-CE 3.57Å; M18-M35 HydrophobicContact SD-SD 3.62Å; M18-M35 VanDerWaalsContact SD-SD 3.62Å; V21-M35 HydrophobicContact CG2-CB 4.32Å; V21-M35 HydrophobicContact CG2-CG 4.28Å; V21-M35 HydrophobicContact CG2-SD 4.09Å; M35-V42 HydrophobicContact CE-CB 4.19Å; M35-V42 HydrophobicContact CE-CG1 3.5Å; M35-V42 HydrophobicContact SD-CG1 4.07Å; M35-K76 PolarHBondContact N-O 3.41Å; M35-V77 HydrophobicContact CB-CB 4.5Å; M35-V77 HydrophobicContact CB-CG1 4.21Å; M35-V77 HydrophobicContact CB-CG2 4.18Å; M35-V77 HydrophobicContact CG-CG1 4.39Å; M35-V77 WeakPolarHBondContact O-CA 3.37Å; M35-V77 HydrophobicContact SD-CG1 4.42Å; M35-V77 HydrophobicContact SD-CG2 4.4Å; M35-V78 PolarHBondContact O-N 2.76Å
36L96.8Very high94.1Very high2 Ų237.4 Ų37.41%0.0121%0.213CC..EExtended strand (participates in β ladder)trans-108.2114.4175.3-61.1179.5000108.9I9 V10 V11 G12 L34 V78 V82 I92 T94 F100I9-L36 HydrophobicContact CG2-CD1 3.96Å; I9-L36 HydrophobicContact CG2-CG 4.13Å; V10-L36 PolarHBondContact O-N 3.27Å; V11-L36 WeakPolarHBondContact CA-O 3.24Å; V11-L36 HydrophobicContact CG2-CB 4.43Å; V11-L36 HydrophobicContact CG2-CD1 4.47Å; G12-L36 PolarHBondContact N-O 2.93Å; L34-L36 HydrophobicContact CD1-CD2 4.26Å; L34-L36 HydrophobicContact CD2-CD2 4.03Å; L34-L36 HydrophobicContact CD2-CG 4.44Å; L34-L36 HydrophobicContact CG-CD2 4.05Å; L34-L36 HydrophobicContact CG-CG 4.35Å; L36-V78 HydrophobicContact CD2-CB 3.8Å; L36-V78 HydrophobicContact CD2-CG1 4.23Å; L36-V82 HydrophobicContact CB-CG2 3.83Å; L36-V82 HydrophobicContact CD1-CG2 3.63Å; L36-V82 HydrophobicContact CG-CG2 4.37Å; L36-I92 HydrophobicContact CD1-CB 4.45Å; L36-I92 HydrophobicContact CD1-CG2 3.82Å; L36-T94 HydrophobicContact CD1-CG2 4.33Å; L36-T94 HydrophobicContact CD2-CG2 4.43Å; L36-F100 HydrophobicContact CD1-CD2 4.08Å; L36-F100 HydrophobicContact CD2-CD2 4.18Å; L36-F100 HydrophobicContact CD2-CE2 4.01Å; L36-F100 HydrophobicContact CD2-CZ 4.29Å
37T94.7Very high93.6Very high4 Ų435.6 Ų35.63%0.02521%0.205CC..EExtended strand (participates in β ladder)trans-126.2145.6-178.4175.10000110.7G13 S39 V65 V77 V78 S79 S80G13-T37 WeakPolarHBondContact CA-OG1 3.34Å; T37-S39 VanDerWaalsContact CG2-O 3.25Å; T37-S39 WeakPolarHBondContact CG2-O 3.47Å; T37-S39 PolarHBondContact O-N 2.85Å; T37-S39 PolarHBondContact OG1-N 3.32Å; T37-V65 HydrophobicContact CG2-CG1 3.95Å; T37-V77 HydrophobicContact CG2-CG1 3.82Å; T37-V78 PolarHBondContact N-O 2.94Å; T37-V78 VanDerWaalsContact N-O 3.09Å; T37-S79 CarbonylContact O-C 3.46Å; T37-S79 VanDerWaalsContact O-CA 3.29Å; T37-S79 WeakPolarHBondContact O-CA 3.31Å; T37-S80 CarbonylContact O-C 3.38Å; T37-S80 PolarHBondContact O-N 3.08Å
38A91.3Very high93.2Very high23 Ų2338 Ų3819%0.1921%0.21CC..SBendtrans-78.2-9.3176.100000113.1Q81 F221A38-Q81 HydrophobicContact CB-CB 4.11Å; A38-Q81 HydrophobicContact CB-CG 4.32Å; A38-F221 HydrophobicContact CB-CB 4.42Å
39S87.2Confident92.8Very high23 Ų2343.9 Ų43.916%0.16124%0.237CC..SBendtrans-117.3164.5-176.4-174.80000112.4T37 V41 S79T37-S39 VanDerWaalsContact CG2-O 3.25Å; T37-S39 WeakPolarHBondContact CG2-O 3.47Å; T37-S39 PolarHBondContact O-N 2.85Å; T37-S39 PolarHBondContact OG1-N 3.32Å; S39-V41 VanDerWaalsContact C-N 3.3Å; S39-V41 PolarHBondContact OG-N 3.39Å; S39-S79 WeakPolarHBondContact O-CB 3.11Å; S39-S79 PolarHBondContact O-OG 2.88Å
40N86.1Confident92.3Very high55 Ų5546.3 Ų46.329%0.29424%0.24SC..SBendtrans-87.3-1.2173.7-64-36.5000112.9V65 S79 S214N40-V65 WeakPolarHBondContact O-CG1 3.44Å; N40-V65 PolarHBondContact O-N 2.86Å; N40-S79 WeakPolarHBondContact OD1-CB 3.39Å; N40-S79 PolarHBondContact OD1-OG 2.73Å; N40-S214 PolarHBondContact ND2-OG 2.94Å
41V88.3Confident91.6Very high32 Ų3240.6 Ų40.619%0.19421%0.21CC..EExtended strand (participates in β ladder)trans-125.1156.3173.5-63.80000110.4S39 E62 M63S39-V41 VanDerWaalsContact C-N 3.3Å; S39-V41 PolarHBondContact OG-N 3.39Å; V41-E62 HydrophobicContact CB-CB 4.4Å; V41-E62 HydrophobicContact CG2-CG 4.41Å; V41-M63 CarbonylContact C-O 3.52Å; V41-M63 VanDerWaalsContact CA-O 3.29Å; V41-M63 WeakPolarHBondContact CA-O 3.47Å
42V91.6Very high90.7Very high0 Ų038.2 Ų38.20%020%0.2CC..EExtended strand (participates in β ladder)trans-120.3155.1171.3-61.30000109.9G13 M18 M35 I44 E62 M63 V65 V68G13-V42 CarbonylContact O-C 3.44Å; G13-V42 VanDerWaalsContact O-CA 3.29Å; G13-V42 WeakPolarHBondContact O-CA 3.47Å; M18-V42 HydrophobicContact CE-CG2 4.26Å; M18-V42 HydrophobicContact CG-CB 3.8Å; M18-V42 HydrophobicContact CG-CG2 3.96Å; M18-V42 HydrophobicContact SD-CB 3.8Å; M18-V42 HydrophobicContact SD-CG1 4.13Å; M18-V42 HydrophobicContact SD-CG2 3.64Å; M35-V42 HydrophobicContact CE-CB 4.19Å; M35-V42 HydrophobicContact CE-CG1 3.5Å; M35-V42 HydrophobicContact SD-CG1 4.07Å; V42-I44 HydrophobicContact CG2-CG2 4.22Å; V42-E62 WeakPolarHBondContact O-CA 3.44Å; V42-M63 HydrophobicContact CG2-CB 3.99Å; V42-M63 PolarHBondContact N-O 3.28Å; V42-M63 PolarHBondContact O-N 2.86Å; V42-V65 HydrophobicContact CG1-CG1 4.11Å; V42-V68 HydrophobicContact CG2-CG2 3.5Å; V42-V68 VanDerWaalsContact CG2-CG2 3.5Å
43K90.9Very high90Very high6 Ų637 Ų373%0.02619%0.193CC..EExtended strand (participates in β ladder)trans-96.3117.8177.1-58.2-60.5-170.8175.80110G13 V15 M18 V60 S61 E62 T128 S223G13-K43 PolarHBondContact O-N 3.17Å; V15-K43 HydrophobicContact CG2-CB 4.15Å; M18-K43 WeakPolarHBondContact CB-O 3.23Å; M18-K43 VanDerWaalsContact CG-O 3.26Å; M18-K43 WeakPolarHBondContact CG-O 3.29Å; K43-V60 HydrophobicContact CB-CG1 3.79Å; K43-V60 HydrophobicContact CD-CG1 4.1Å; K43-V60 HydrophobicContact CG-CG1 4.3Å; K43-S61 WeakPolarHBondContact CA-O 3.29Å; K43-E62 HydrophobicContact CD-CG 3.99Å; K43-E62 VanDerWaalsContact NZ-CG 3.35Å; K43-E62 IonicContact NZ-OE1 3.54Å; K43-E62 PolarHBondContact NZ-OE1 2.76Å; K43-T128 PolarHBondContact NZ-OG1 3.42Å; K43-S223 WeakPolarHBondContact CE-O 3.38Å; K43-S223 VanDerWaalsContact CG-CB 3.42Å
44I91.2Very high89.4Confident25 Ų2537.3 Ų37.313%0.12820%0.195CC..EExtended strand (participates in β ladder)trans-110.8156.8178.758.4152.7000111.3M18 V42 V60 S61 M63M18-I44 HydrophobicContact CB-CG2 4.47Å; M18-I44 HydrophobicContact CE-CG2 3.81Å; M18-I44 HydrophobicContact CG-CG2 4.06Å; V42-I44 HydrophobicContact CG2-CG2 4.22Å; I44-V60 WeakPolarHBondContact O-CA 3.48Å; I44-S61 WeakPolarHBondContact CG1-O 3.49Å; I44-S61 WeakPolarHBondContact CG1-OG 3.42Å; I44-S61 PolarHBondContact N-O 3.32Å; I44-S61 PolarHBondContact O-N 3.3Å; I44-M63 HydrophobicContact CD1-CB 4.32Å; I44-M63 HydrophobicContact CD1-CE 3.75Å; I44-M63 HydrophobicContact CG1-CB 4.25Å; I44-M63 HydrophobicContact CG2-CB 4.12Å; I44-M63 HydrophobicContact CG2-CE 4.42Å; I44-M63 HydrophobicContact CG2-SD 4.37Å
45V91.1Very high89Confident30 Ų3036.9 Ų36.918%0.18219%0.193CC..EExtended strand (participates in β ladder)trans-80.4131.6170174.60000108.6V15 W48 F58 R366V15-V45 HydrophobicContact CG1-CG2 3.95Å; V45-W48 HydrophobicContact CG1-CB 3.96Å; V45-W48 HydrophobicContact CG1-CG 4.33Å; V45-F58 HydrophobicContact CB-CD2 4.38Å; V45-F58 HydrophobicContact CG1-CB 3.66Å; V45-F58 HydrophobicContact CG1-CD1 4.39Å; V45-F58 HydrophobicContact CG1-CD2 3.82Å; V45-F58 HydrophobicContact CG1-CG 3.72Å; V45-F58 HydrophobicContact CG2-CD2 4.03Å; V45-F58 HydrophobicContact CG2-CE2 4Å; V45-R366 HydrophobicContact CG2-CG 4Å
46S89.2Confident88.7Confident23 Ų2338.2 Ų38.216%0.16120%0.199CC..EExtended strand (participates in β ladder)trans-138.1159.7178.850.80000110.4W48 D59 S61S46-W48 PolarHBondContact O-N 3.4Å; S46-W48 VanDerWaalsContact O-N 3.1Å; S46-D59 PolarHBondContact N-O 3.45Å; S46-D59 PolarHBondContact O-N 3.33Å; S46-D59 VanDerWaalsContact O-O 3.12Å; S46-D59 PolarHBondContact OG-O 3.44Å; S46-D59 VanDerWaalsContact OG-O 3.12Å; S46-S61 VanDerWaalsContact CB-OG 3.29Å; S46-S61 WeakPolarHBondContact CB-OG 3.25Å; S46-S61 WeakPolarHBondContact OG-CB 3.45Å; S46-S61 PolarHBondContact OG-OG 2.78Å
47N87.6Confident88.4Confident100 Ų10039.8 Ų39.854%0.53521%0.21SC..EExtended strand (participates in β ladder)trans50.536.8-177.3-57.5-36.3000113.1Q49 D59N47-Q49 PolarHBondContact O-N 3.15Å; N47-D59 HydrophobicContact CB-CB 4.42Å; N47-D59 PolarHBondContact ND2-OD2 3.25Å
48W90.5Very high88.2Confident115 Ų11539.7 Ų39.744%0.43621%0.209SC..EExtended strand (participates in β ladder)trans-67.5131.2-178.2-178.789.9000111V45 S46 K50 E56 S57 F58V45-W48 HydrophobicContact CG1-CB 3.96Å; V45-W48 HydrophobicContact CG1-CG 4.33Å; S46-W48 PolarHBondContact O-N 3.4Å; S46-W48 VanDerWaalsContact O-N 3.1Å; W48-K50 HydrophobicContact CH2-CB 3.9Å; W48-K50 HydrophobicContact CZ2-CB 4.36Å; W48-K50 HydrophobicContact CZ3-CB 4.39Å; W48-E56 HydrophobicContact CZ2-CG 4.23Å; W48-E56 VanDerWaalsContact NE1-CD 3.29Å; W48-E56 PolarHBondContact NE1-OE2 3.5Å; W48-S57 CarbonylContact C-O 3.53Å; W48-S57 WeakPolarHBondContact CA-O 3.43Å; W48-F58 HydrophobicContact CB-CB 4.21Å
49Q88.2Confident88.1Confident129 Ų12939.4 Ų39.460%0.60321%0.205SC*.EExtended strand (participates in β ladder)trans-139.3138.7179.2-65.4-177.7-27.400109.5N47 E56 S57N47-Q49 PolarHBondContact O-N 3.15Å; Q49-E56 WeakPolarHBondContact O-CA 3.22Å; Q49-S57 PolarHBondContact N-O 2.87Å; Q49-S57 PolarHBondContact O-N 3.39Å
50K86.1Confident88.1Confident130 Ų13039.3 Ų39.357%0.56520%0.203SC*.EExtended strand (participates in β ladder)trans-87.6118.2171-174166.5-178.2172.20108W48 G52 A53W48-K50 HydrophobicContact CH2-CB 3.9Å; W48-K50 HydrophobicContact CZ2-CB 4.36Å; W48-K50 HydrophobicContact CZ3-CB 4.39Å; K50-G52 WeakPolarHBondContact CE-O 3.17Å; K50-G52 WeakPolarHBondContact CG-O 3.4Å; K50-A53 VanDerWaalsContact CE-C 3.45Å; K50-A53 WeakPolarHBondContact CE-O 3.39Å; K50-A53 PolarHBondContact NZ-O 2.94Å
51V83Confident88.2Confident36 Ų3637.5 Ų37.522%0.21820%0.195CC..  trans-100.4-21.4-174.5-174.60000111.6L55 I406 E454V51-L55 HydrophobicContact CB-CD2 3.91Å; V51-L55 HydrophobicContact CB-CG 4.08Å; V51-L55 HydrophobicContact CG1-CD2 3.86Å; V51-L55 PolarHBondContact N-O 3.45Å; V51-I406 HydrophobicContact CG1-CD1 4.4Å; V51-E454 HydrophobicContact CG1-CB 4.23Å; V51-E454 HydrophobicContact CG1-CG 3.96Å
52G79.6Confident88.2Confident4 Ų437.3 Ų37.34%0.04119%0.191CC..SBendtrans-155.3-156.2167.200000110.6K50 I54 L55 E458K50-G52 WeakPolarHBondContact CE-O 3.17Å; K50-G52 WeakPolarHBondContact CG-O 3.4Å; G52-I54 PolarHBondContact O-N 3.21Å; G52-L55 PolarHBondContact N-O 3.23Å; G52-E458 WeakPolarHBondContact CA-OE2 3.23Å
53A81.2Confident88.1Confident27 Ų2738.8 Ų38.822%0.22320%0.199CC..SBendtrans-60.2-39.6-175.900000113.7K50 E458K50-A53 VanDerWaalsContact CE-C 3.45Å; K50-A53 WeakPolarHBondContact CE-O 3.39Å; K50-A53 PolarHBondContact NZ-O 2.94Å; A53-E458 PolarHBondContact N-OE2 2.88Å
54I86.4Confident88Confident11 Ų1140 Ų406%0.05621%0.208CC..SBendtrans-125.5-27.3178.5-59.6170.2000110.7G52 E56 I389 C390 L393 E458 M462G52-I54 PolarHBondContact O-N 3.21Å; I54-E56 WeakPolarHBondContact O-CG 3.43Å; I54-E56 PolarHBondContact O-N 3.46Å; I54-I389 HydrophobicContact CD1-CB 4.3Å; I54-I389 HydrophobicContact CD1-CD1 4.31Å; I54-I389 HydrophobicContact CD1-CG1 4.33Å; I54-I389 HydrophobicContact CG1-CD1 4.01Å; I54-I389 HydrophobicContact CG1-CG1 4.34Å; I54-C390 HydrophobicContact CG2-CB 4.25Å; I54-L393 HydrophobicContact CD1-CB 4.25Å; I54-E458 WeakPolarHBondContact CA-OE1 3.45Å; I54-E458 WeakPolarHBondContact CB-OE1 3.27Å; I54-E458 PolarHBondContact N-OE1 3.02Å; I54-E458 VanDerWaalsContact N-OE1 3.15Å; I54-E458 PolarHBondContact N-OE2 3.25Å; I54-M462 HydrophobicContact CD1-CE 3.77Å; I54-M462 HydrophobicContact CD1-CG 4.37Å; I54-M462 HydrophobicContact CD1-SD 3.81Å
55L89.9Confident87.9Confident0 Ų039.3 Ų39.30%021%0.205CC..  trans-61.3124.3-178.3-175.470.4000112.1V51 G52 T395 V397 I406 E454 E458V51-L55 HydrophobicContact CB-CD2 3.91Å; V51-L55 HydrophobicContact CB-CG 4.08Å; V51-L55 HydrophobicContact CG1-CD2 3.86Å; V51-L55 PolarHBondContact N-O 3.45Å; G52-L55 PolarHBondContact N-O 3.23Å; L55-T395 HydrophobicContact CB-CG2 4.32Å; L55-T395 HydrophobicContact CD1-CG2 4.29Å; L55-V397 HydrophobicContact CD1-CG2 3.51Å; L55-V397 HydrophobicContact CD2-CG2 4.11Å; L55-V397 HydrophobicContact CG-CG2 3.8Å; L55-I406 HydrophobicContact CD1-CG2 4.04Å; L55-I406 HydrophobicContact CD2-CD1 3.85Å; L55-I406 HydrophobicContact CD2-CG1 4.45Å; L55-I406 HydrophobicContact CD2-CG2 3.6Å; L55-E454 HydrophobicContact CD2-CB 3.98Å; L55-E454 HydrophobicContact CD2-CG 4.06Å; L55-E458 WeakPolarHBondContact CB-OE1 3.5Å; L55-E458 WeakPolarHBondContact CB-OE2 3.18Å; L55-E458 PolarHBondContact N-OE1 2.92Å; L55-E458 PolarHBondContact N-OE2 2.89Å
56E91.3Very high87.8Confident28 Ų2845 Ų4513%0.13123%0.227CC..EExtended strand (participates in β ladder)trans-117.5140.2179.1-48-175.9173.900110.4W48 Q49 I54 F58 R366 V397W48-E56 HydrophobicContact CZ2-CG 4.23Å; W48-E56 VanDerWaalsContact NE1-CD 3.29Å; W48-E56 PolarHBondContact NE1-OE2 3.5Å; Q49-E56 WeakPolarHBondContact O-CA 3.22Å; I54-E56 WeakPolarHBondContact O-CG 3.43Å; I54-E56 PolarHBondContact O-N 3.46Å; E56-F58 HydrophobicContact CB-CD1 4.42Å; E56-R366 IonicContact OE1-CZ 2.74Å; E56-R366 IonicContact OE1-NH1 2.66Å; E56-R366 PolarHBondContact OE1-NH1 3.23Å; E56-R366 VanDerWaalsContact OE2-CD 3.3Å; E56-R366 WeakPolarHBondContact OE2-CD 3.26Å; E56-R366 IonicContact OE2-CZ 3.09Å; E56-R366 VanDerWaalsContact OE2-CZ 3.26Å; E56-R366 IonicContact OE2-NE 2.69Å; E56-R366 PolarHBondContact OE2-NE 2.92Å; E56-R366 IonicContact OE2-NH1 2.62Å; E56-R366 PolarHBondContact OE2-NH1 3.22Å; E56-V397 WeakPolarHBondContact O-CG2 3.37Å
57S90.3Very high87.9Confident34 Ų3446.1 Ų46.124%0.23824%0.236CC..EExtended strand (participates in β ladder)trans-117.5137.1165.8-173.80000109.1W48 Q49W48-S57 CarbonylContact C-O 3.53Å; W48-S57 WeakPolarHBondContact CA-O 3.43Å; Q49-S57 PolarHBondContact N-O 2.87Å; Q49-S57 PolarHBondContact O-N 3.39Å
58F91.4Very high88Confident3 Ų341.4 Ų41.41%0.01321%0.21CC..EExtended strand (participates in β ladder)trans-160.8156.6177.959.7-95.1000111.1V45 W48 E56 V60 P227 W362 T363 R366V45-F58 HydrophobicContact CB-CD2 4.38Å; V45-F58 HydrophobicContact CG1-CB 3.66Å; V45-F58 HydrophobicContact CG1-CD1 4.39Å; V45-F58 HydrophobicContact CG1-CD2 3.82Å; V45-F58 HydrophobicContact CG1-CG 3.72Å; V45-F58 HydrophobicContact CG2-CD2 4.03Å; V45-F58 HydrophobicContact CG2-CE2 4Å; W48-F58 HydrophobicContact CB-CB 4.21Å; E56-F58 HydrophobicContact CB-CD1 4.42Å; F58-V60 HydrophobicContact CD2-CG2 4.22Å; F58-V60 HydrophobicContact CE2-CG2 3.93Å; F58-P227 VanDerWaalsContact O-CG 3.22Å; F58-P227 WeakPolarHBondContact O-CG 3.24Å; F58-W362 AromaticContact CE2-CD1 3.91Å; F58-W362 AromaticContact CZ-CD1 3.72Å; F58-T363 HydrophobicContact CE1-CG2 4.04Å; F58-T363 HydrophobicContact CZ-CG2 4.36Å; F58-R366 HydrophobicContact CE1-CB 4.43Å; F58-R366 HydrophobicContact CZ-CB 4.08Å
59D88.5Confident88Confident17 Ų1738.5 Ų38.59%0.09121%0.206CC..EExtended strand (participates in β ladder)trans-94153.8170.6-59.8-17.8000109.6S46 N47 K202S46-D59 PolarHBondContact N-O 3.45Å; S46-D59 PolarHBondContact O-N 3.33Å; S46-D59 VanDerWaalsContact O-O 3.12Å; S46-D59 PolarHBondContact OG-O 3.44Å; S46-D59 VanDerWaalsContact OG-O 3.12Å; N47-D59 HydrophobicContact CB-CB 4.42Å; N47-D59 PolarHBondContact ND2-OD2 3.25Å; D59-K202 IonicContact OD1-NZ 2.88Å; D59-K202 IonicContact OD2-NZ 2.94Å; D59-K202 PolarHBondContact OD2-NZ 3.5Å
60V88.5Confident88.1Confident21 Ų2139 Ų3913%0.12721%0.212CC..EExtended strand (participates in β ladder)trans-105.5125.9170176.40000108.4V15 K43 I44 F58 L225V15-V60 HydrophobicContact CG2-CG1 3.95Å; V15-V60 HydrophobicContact CG2-CG2 3.77Å; K43-V60 HydrophobicContact CB-CG1 3.79Å; K43-V60 HydrophobicContact CD-CG1 4.1Å; K43-V60 HydrophobicContact CG-CG1 4.3Å; I44-V60 WeakPolarHBondContact O-CA 3.48Å; F58-V60 HydrophobicContact CD2-CG2 4.22Å; F58-V60 HydrophobicContact CE2-CG2 3.93Å; V60-L225 WeakPolarHBondContact CB-O 3.28Å
61S87.8Confident88.3Confident17 Ų1738.1 Ų38.112%0.11921%0.21CC..EExtended strand (participates in β ladder)trans-123.6162.5178.151.80000111.7K43 I44 S46K43-S61 WeakPolarHBondContact CA-O 3.29Å; I44-S61 WeakPolarHBondContact CG1-O 3.49Å; I44-S61 WeakPolarHBondContact CG1-OG 3.42Å; I44-S61 PolarHBondContact N-O 3.32Å; I44-S61 PolarHBondContact O-N 3.3Å; S46-S61 VanDerWaalsContact CB-OG 3.29Å; S46-S61 WeakPolarHBondContact CB-OG 3.25Å; S46-S61 WeakPolarHBondContact OG-CB 3.45Å; S46-S61 PolarHBondContact OG-OG 2.78Å
62E88.4Confident88.8Confident27 Ų2738.1 Ų38.113%0.12621%0.207CC..EExtended strand (participates in β ladder)trans-94.5135.6177.2-68.2-173.716000110.8V41 V42 K43 T128 T205V41-E62 HydrophobicContact CB-CB 4.4Å; V41-E62 HydrophobicContact CG2-CG 4.41Å; V42-E62 WeakPolarHBondContact O-CA 3.44Å; K43-E62 HydrophobicContact CD-CG 3.99Å; K43-E62 VanDerWaalsContact NZ-CG 3.35Å; K43-E62 IonicContact NZ-OE1 3.54Å; K43-E62 PolarHBondContact NZ-OE1 2.76Å; E62-T128 PolarHBondContact OE1-OG1 2.87Å; E62-T128 VanDerWaalsContact OE1-OG1 3.12Å; E62-T205 WeakPolarHBondContact OE2-CG2 3.47Å
63M88.7Confident89.4Confident32 Ų3244 Ų4416%0.15825%0.247CC..EExtended strand (participates in β ladder)trans-123.3140.6171.4179.9-174.7-7800108.9V41 V42 I44 V68 Q71V41-M63 CarbonylContact C-O 3.52Å; V41-M63 VanDerWaalsContact CA-O 3.29Å; V41-M63 WeakPolarHBondContact CA-O 3.47Å; V42-M63 HydrophobicContact CG2-CB 3.99Å; V42-M63 PolarHBondContact N-O 3.28Å; V42-M63 PolarHBondContact O-N 2.86Å; I44-M63 HydrophobicContact CD1-CB 4.32Å; I44-M63 HydrophobicContact CD1-CE 3.75Å; I44-M63 HydrophobicContact CG1-CB 4.25Å; I44-M63 HydrophobicContact CG2-CB 4.12Å; I44-M63 HydrophobicContact CG2-CE 4.42Å; I44-M63 HydrophobicContact CG2-SD 4.37Å; M63-V68 HydrophobicContact CG-CG2 4.31Å; M63-V68 HydrophobicContact SD-CG2 3.71Å; M63-Q71 VanDerWaalsContact CE-OE1 3.31Å
64S90.1Very high90.1Very high32 Ų3244 Ų4422%0.22424%0.244CC..EExtended strand (participates in β ladder)trans-66144.9173.386.80000110.6F66 S67 V68S64-F66 PolarHBondContact O-N 2.79Å; S64-F66 VanDerWaalsContact O-N 3.14Å; S64-S67 WeakPolarHBondContact O-CB 3.43Å; S64-S67 PolarHBondContact O-N 2.6Å; S64-S67 PolarHBondContact OG-N 2.83Å; S64-S67 PolarHBondContact OG-OG 3Å; S64-V68 PolarHBondContact O-N 2.92Å
65V88.6Confident90.7Very high10 Ų1043.5 Ų43.56%0.06124%0.241CC..Hα-helixtrans-58.5-26.8176.4-67.60000113.5T37 N40 V42 V77T37-V65 HydrophobicContact CG2-CG1 3.95Å; N40-V65 WeakPolarHBondContact O-CG1 3.44Å; N40-V65 PolarHBondContact O-N 2.86Å; V42-V65 HydrophobicContact CG1-CG1 4.11Å; V65-V77 HydrophobicContact CB-CB 4.05Å; V65-V77 HydrophobicContact CB-CG1 3.7Å; V65-V77 HydrophobicContact CG1-CB 4.48Å; V65-V77 HydrophobicContact CG1-CG1 3.59Å
66F88.6Confident91Very high148 Ų14850.2 Ų50.265%0.64927%0.271SS*.Hα-helixtrans-67.2-44.5175.2-58.9-70000111.2S64 V68 T69 D70S64-F66 PolarHBondContact O-N 2.79Å; S64-F66 VanDerWaalsContact O-N 3.14Å; F66-V68 VanDerWaalsContact C-N 3.25Å; F66-V68 PolarHBondContact O-N 3.43Å; F66-T69 PolarHBondContact O-N 3.41Å; F66-T69 VanDerWaalsContact O-N 3.07Å; F66-D70 PolarHBondContact O-N 2.84Å; F66-D70 VanDerWaalsContact O-N 3.09Å
67S91.1Very high91.2Very high48 Ų4850 Ų5034%0.33627%0.271SS..Hα-helixtrans-62.9-30.4180-54.30000113S64 T69 D70 Q71S64-S67 WeakPolarHBondContact O-CB 3.43Å; S64-S67 PolarHBondContact O-N 2.6Å; S64-S67 PolarHBondContact OG-N 2.83Å; S64-S67 PolarHBondContact OG-OG 3Å; S67-T69 VanDerWaalsContact C-N 3.35Å; S67-D70 PolarHBondContact O-N 3.12Å; S67-Q71 WeakPolarHBondContact O-CB 3.23Å; S67-Q71 PolarHBondContact O-N 2.83Å
68V90.3Very high91.4Very high0 Ų050 Ų500%027%0.27CS..Hα-helixtrans-62.3-44.4173.8-179.90000110.9M18 V42 M63 S64 F66 D70 Q71 F72 V75 V77M18-V68 HydrophobicContact CE-CG1 4.11Å; M18-V68 HydrophobicContact CE-CG2 4.09Å; M18-V68 HydrophobicContact SD-CG1 4.49Å; M18-V68 HydrophobicContact SD-CG2 4.3Å; V42-V68 HydrophobicContact CG2-CG2 3.5Å; V42-V68 VanDerWaalsContact CG2-CG2 3.5Å; M63-V68 HydrophobicContact CG-CG2 4.31Å; M63-V68 HydrophobicContact SD-CG2 3.71Å; S64-V68 PolarHBondContact O-N 2.92Å; F66-V68 VanDerWaalsContact C-N 3.25Å; F66-V68 PolarHBondContact O-N 3.43Å; V68-D70 VanDerWaalsContact C-N 3.33Å; V68-Q71 PolarHBondContact O-N 2.87Å; V68-F72 HydrophobicContact CG1-CD2 4.25Å; V68-F72 PolarHBondContact O-N 3.32Å; V68-V75 HydrophobicContact CG1-CG1 4.03Å; V68-V77 HydrophobicContact CB-CG2 3.8Å; V68-V77 HydrophobicContact CG1-CG2 3.67Å; V68-V77 HydrophobicContact CG2-CG2 4.47Å
69T89.4Confident91.4Very high55 Ų5552 Ų5234%0.33728%0.284SS..Hα-helixtrans-69.6-34.1-179.7-55.50000111.2F66 S67 Q71 F72F66-T69 PolarHBondContact O-N 3.41Å; F66-T69 VanDerWaalsContact O-N 3.07Å; S67-T69 VanDerWaalsContact C-N 3.35Å; T69-Q71 VanDerWaalsContact C-N 3.33Å; T69-F72 CarbonylContact O-C 3.56Å
70D91Very high91.7Very high140 Ų14051.6 Ų51.675%0.74928%0.282SS*.Hα-helixtrans-67.2-35.2174-67-24.3000112F66 S67 V68F66-D70 PolarHBondContact O-N 2.84Å; F66-D70 VanDerWaalsContact O-N 3.09Å; S67-D70 PolarHBondContact O-N 3.12Å; V68-D70 VanDerWaalsContact C-N 3.33Å
71Q91.3Very high92Very high110 Ų11052.9 Ų52.951%0.51429%0.287SS..Hα-helixtrans-77.7-36.3-179.9-175173.5-13.600112.9M63 S67 V68 T69M63-Q71 VanDerWaalsContact CE-OE1 3.31Å; S67-Q71 WeakPolarHBondContact O-CB 3.23Å; S67-Q71 PolarHBondContact O-N 2.83Å; V68-Q71 PolarHBondContact O-N 2.87Å; T69-Q71 VanDerWaalsContact C-N 3.33Å
72F92.7Very high92.4Very high36 Ų3652.6 Ų52.616%0.15828%0.284CS..  trans-124.5103.2-176.8-57.3-75.2000111.1E22 A25 V68 T69 N74 V75E22-F72 HydrophobicContact CG-CE2 4.22Å; E22-F72 HydrophobicContact CG-CZ 3.86Å; A25-F72 HydrophobicContact CB-CB 4.26Å; A25-F72 HydrophobicContact CB-CD1 3.6Å; A25-F72 HydrophobicContact CB-CE1 4.18Å; A25-F72 HydrophobicContact CB-CG 4.06Å; V68-F72 HydrophobicContact CG1-CD2 4.25Å; V68-F72 PolarHBondContact O-N 3.32Å; T69-F72 CarbonylContact O-C 3.56Å; F72-N74 PolarHBondContact O-N 2.87Å; F72-N74 VanDerWaalsContact O-N 3.12Å; F72-V75 HydrophobicContact CB-CB 3.77Å; F72-V75 HydrophobicContact CB-CG2 3.45Å; F72-V75 VanDerWaalsContact CB-CG2 3.45Å; F72-V75 HydrophobicContact CG-CG2 4.17Å; F72-V75 PolarHBondContact O-N 2.78Å
73S92.9Very high92.8Very high127 Ų12753.9 Ų53.989%0.88829%0.294SS*.THydrogen-bonded Turntrans-63.6-22.1-173.556.10000115.1
74N96.1Very high93.2Very high27 Ų2755.4 Ų55.414%0.14430%0.301CS..THydrogen-bonded Turntrans-96.52177.466.5-31.7000113.6C28 P29 E31 I33 F72C28-N74 PolarHBondContact O-ND2 2.83Å; C28-N74 VanDerWaalsContact O-ND2 3.09Å; P29-N74 PolarHBondContact O-ND2 3Å; E31-N74 WeakPolarHBondContact O-CB 3.42Å; E31-N74 PolarHBondContact O-ND2 2.88Å; I33-N74 PolarHBondContact N-O 2.76Å; F72-N74 PolarHBondContact O-N 2.87Å; F72-N74 VanDerWaalsContact O-N 3.12Å
75V97.5Very high93.6Very high1 Ų154 Ų541%0.00629%0.29CS..EExtended strand (participates in β ladder)trans-104.5130.9178.1-179.20000109.7V21 A25 I33 V68 F72 V77V21-V75 HydrophobicContact CG1-CB 4.44Å; V21-V75 HydrophobicContact CG1-CG1 3.76Å; V21-V75 HydrophobicContact CG1-CG2 3.76Å; A25-V75 HydrophobicContact CB-CG2 3.89Å; I33-V75 HydrophobicContact CB-CG2 4.07Å; I33-V75 HydrophobicContact CD1-CG2 4.05Å; I33-V75 HydrophobicContact CG2-CG2 4.23Å; I33-V75 WeakPolarHBondContact O-CA 3.42Å; V68-V75 HydrophobicContact CG1-CG1 4.03Å; F72-V75 HydrophobicContact CB-CB 3.77Å; F72-V75 HydrophobicContact CB-CG2 3.45Å; F72-V75 VanDerWaalsContact CB-CG2 3.45Å; F72-V75 HydrophobicContact CG-CG2 4.17Å; F72-V75 PolarHBondContact O-N 2.78Å; V75-V77 HydrophobicContact CG1-CG2 4.24Å
76K96Very high94Very high142 Ų14254.7 Ų54.762%0.61729%0.294SS*.EExtended strand (participates in β ladder)trans-113.8141.5165.4-66.6-177.7-178.1176.80109.3I33 L34 M35I33-K76 PolarHBondContact O-N 3.08Å; L34-K76 CarbonylContact C-O 3.44Å; L34-K76 WeakPolarHBondContact CA-O 3.23Å; L34-K76 HydrophobicContact CD1-CB 4.17Å; M35-K76 PolarHBondContact N-O 3.41Å
77V95.8Very high94.4Very high23 Ų2348.4 Ų48.414%0.13927%0.268CS..EExtended strand (participates in β ladder)trans-116.5131.6175.3-168.60000109.9M35 T37 V65 V68 V75M35-V77 HydrophobicContact CB-CB 4.5Å; M35-V77 HydrophobicContact CB-CG1 4.21Å; M35-V77 HydrophobicContact CB-CG2 4.18Å; M35-V77 HydrophobicContact CG-CG1 4.39Å; M35-V77 WeakPolarHBondContact O-CA 3.37Å; M35-V77 HydrophobicContact SD-CG1 4.42Å; M35-V77 HydrophobicContact SD-CG2 4.4Å; T37-V77 HydrophobicContact CG2-CG1 3.82Å; V65-V77 HydrophobicContact CB-CB 4.05Å; V65-V77 HydrophobicContact CB-CG1 3.7Å; V65-V77 HydrophobicContact CG1-CB 4.48Å; V65-V77 HydrophobicContact CG1-CG1 3.59Å; V68-V77 HydrophobicContact CB-CG2 3.8Å; V68-V77 HydrophobicContact CG1-CG2 3.67Å; V68-V77 HydrophobicContact CG2-CG2 4.47Å; V75-V77 HydrophobicContact CG1-CG2 4.24Å
78V94.4Very high94.7Very high35 Ų3551 Ų5121%0.21228%0.284CS..EExtended strand (participates in β ladder)trans-119.9117.5173.9174.40000108.6L34 M35 L36 T37 S80 F100L34-V78 HydrophobicContact CD1-CB 4.4Å; L34-V78 HydrophobicContact CD1-CG2 3.75Å; M35-V78 PolarHBondContact O-N 2.76Å; L36-V78 HydrophobicContact CD2-CB 3.8Å; L36-V78 HydrophobicContact CD2-CG1 4.23Å; T37-V78 PolarHBondContact N-O 2.94Å; T37-V78 VanDerWaalsContact N-O 3.09Å; V78-S80 VanDerWaalsContact C-N 3.34Å; V78-S80 PolarHBondContact O-N 2.92Å; V78-S80 VanDerWaalsContact O-N 3.08Å; V78-F100 HydrophobicContact CG1-CZ 4.35Å; V78-F100 HydrophobicContact CG2-CZ 4.5Å
79S93Very high95Very high43 Ų4357.1 Ų57.130%0.30131%0.311SS..EExtended strand (participates in β ladder)trans-80.980.1174-66.10000110.4T37 S39 N40T37-S79 CarbonylContact O-C 3.46Å; T37-S79 VanDerWaalsContact O-CA 3.29Å; T37-S79 WeakPolarHBondContact O-CA 3.31Å; S39-S79 WeakPolarHBondContact O-CB 3.11Å; S39-S79 PolarHBondContact O-OG 2.88Å; N40-S79 WeakPolarHBondContact OD1-CB 3.39Å; N40-S79 PolarHBondContact OD1-OG 2.73Å
80S93.7Very high95.4Very high9 Ų957.6 Ų57.66%0.06331%0.308CS..  trans-150.3130.2175.8-160.80000110T37 V78 V82 T94 D96T37-S80 CarbonylContact O-C 3.38Å; T37-S80 PolarHBondContact O-N 3.08Å; V78-S80 VanDerWaalsContact C-N 3.34Å; V78-S80 PolarHBondContact O-N 2.92Å; V78-S80 VanDerWaalsContact O-N 3.08Å; S80-V82 PolarHBondContact O-N 3.48Å; S80-T94 WeakPolarHBondContact OG-CB 3.37Å; S80-D96 PolarHBondContact OG-OD1 3.34Å; S80-D96 PolarHBondContact OG-OD2 3.49Å
81Q94.8Very high95.7Very high48 Ų4853 Ų5322%0.22428%0.282CS..  trans-66.3129-179.2-177.7-174.6-1400110.4A38 V83 T94 I95A38-Q81 HydrophobicContact CB-CB 4.11Å; A38-Q81 HydrophobicContact CB-CG 4.32Å; Q81-V83 HydrophobicContact CG-CG1 4.48Å; Q81-T94 CarbonylContact O-C 3.51Å; Q81-T94 WeakPolarHBondContact O-CA 3.36Å; Q81-T94 WeakPolarHBondContact O-CB 3.21Å; Q81-I95 HydrophobicContact CB-CB 4.43Å; Q81-I95 HydrophobicContact CB-CG2 4.12Å; Q81-I95 PolarHBondContact O-N 3.04Å
82V96.7Very high96Very high11 Ų1147.9 Ų47.97%0.06726%0.258CS..EExtended strand (participates in β ladder)trans-72.6130.2169.8176.20000109.8V11 L36 S80 I92 T94 F311V11-V82 HydrophobicContact CG1-CB 4.02Å; V11-V82 HydrophobicContact CG1-CG2 3.68Å; V11-V82 HydrophobicContact CG2-CG2 4.11Å; L36-V82 HydrophobicContact CB-CG2 3.83Å; L36-V82 HydrophobicContact CD1-CG2 3.63Å; L36-V82 HydrophobicContact CG-CG2 4.37Å; S80-V82 PolarHBondContact O-N 3.48Å; V82-I92 HydrophobicContact CB-CG2 4.15Å; V82-I92 HydrophobicContact CG1-CG2 3.35Å; V82-I92 HydrophobicContact CG2-CG2 3.66Å; V82-T94 HydrophobicContact CG2-CG2 4.22Å; V82-F311 HydrophobicContact CB-CE1 4.49Å; V82-F311 HydrophobicContact CG1-CE1 3.7Å; V82-F311 HydrophobicContact CG1-CZ 4.35Å
83V96.3Very high96.2Very high55 Ų5550.1 Ų50.133%0.33327%0.268SS..EExtended strand (participates in β ladder)trans-121.2-11.7-177.6-63.30000113.3Q81 K93 I95 T310Q81-V83 HydrophobicContact CG-CG1 4.48Å; V83-K93 WeakPolarHBondContact CG2-O 3.27Å; V83-K93 PolarHBondContact N-O 2.94Å; V83-I95 HydrophobicContact CG1-CB 3.67Å; V83-I95 HydrophobicContact CG1-CD1 4.39Å; V83-I95 HydrophobicContact CG1-CG1 4.06Å; V83-T310 WeakPolarHBondContact O-CG2 3.28Å
84H97Very high96.4Very high64 Ų6444.1 Ų44.130%0.29623%0.226SC..EExtended strand (participates in β ladder)trans-157.8141-179.817580.5000111.4K93 E315H84-K93 HydrophobicContact CB-CB 4.21Å; H84-K93 PolarHBondContact N-O 2.92Å; H84-K93 PolarHBondContact O-N 2.95Å; H84-E315 VanDerWaalsContact CE1-CD 3.46Å; H84-E315 IonicContact CE1-OE1 3.28Å; H84-E315 PolarHBondContact CE1-OE1 3.45Å; H84-E315 IonicContact CE1-OE2 3.97Å; H84-E315 PolarHBondContact CE1-OE2 2.81Å; H84-E315 IonicContact ND1-OE1 3.47Å; H84-E315 PolarHBondContact ND1-OE1 2.69Å; H84-E315 IonicContact NE2-OE1 2.86Å; H84-E315 IonicContact NE2-OE2 3.4Å
85L98.3Very high96.3Very high1 Ų148.1 Ų48.11%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-118130.6170.1169.663.2000108I92 Y102 L105 F311 N316 F318L85-I92 HydrophobicContact CD1-CG1 3.87Å; L85-Y102 HydrophobicContact CD1-CE1 3.77Å; L85-Y102 WeakPolarHBondContact CD1-OH 3.22Å; L85-L105 HydrophobicContact CD1-CD2 3.64Å; L85-L105 HydrophobicContact CD2-CD2 4.1Å; L85-F311 HydrophobicContact CB-CD1 3.93Å; L85-F311 HydrophobicContact CD2-CB 4.38Å; L85-F311 HydrophobicContact CD2-CD1 4.29Å; L85-N316 PolarHBondContact O-ND2 3.25Å; L85-N316 PolarHBondContact O-OD1 3.23Å; L85-F318 HydrophobicContact CD2-CE2 3.84Å; L85-F318 HydrophobicContact CD2-CZ 3.69Å
86N97.6Very high96.1Very high26 Ų2652 Ų5214%0.13927%0.267CS..EExtended strand (participates in β ladder)trans-115.186.3167.6-168.8-61.8000108.1P88 K89 K90 E91N86-P88 WeakPolarHBondContact OD1-CD 3.5Å; N86-K89 HydrophobicContact CB-CB 4.48Å; N86-K89 PolarHBondContact O-N 2.88Å; N86-K89 WeakPolarHBondContact OD1-CB 3.31Å; N86-K89 VanDerWaalsContact OD1-CG 3.32Å; N86-K89 WeakPolarHBondContact OD1-CG 2.92Å; N86-K89 PolarHBondContact OD1-N 3.14Å; N86-K89 VanDerWaalsContact OD1-N 3.13Å; N86-K90 PolarHBondContact O-N 2.81Å; N86-E91 HydrophobicContact CB-CB 4.34Å; N86-E91 PolarHBondContact N-O 3.42Å; N86-E91 PolarHBondContact O-N 3.46Å
87S97.7Very high96Very high15 Ų1546.4 Ų46.411%0.10525%0.25CC..G310 helixtrans-62.6-36.1-175.860.50000114.5K89 K90 N316S87-K89 VanDerWaalsContact C-N 3.26Å; S87-K89 PolarHBondContact O-N 2.79Å; S87-K90 PolarHBondContact O-N 2.73Å; S87-N316 VanDerWaalsContact CB-OD1 3.23Å; S87-N316 WeakPolarHBondContact CB-OD1 3.39Å; S87-N316 PolarHBondContact N-OD1 2.72Å; S87-N316 PolarHBondContact OG-OD1 2.84Å
88P96.3Very high96Very high103 Ų10349.4 Ų49.467%0.66926%0.262SS*.G310 helixtrans-62.2-32176-25.236.6000113.7N86N86-P88 WeakPolarHBondContact OD1-CD 3.5Å
89K96.7Very high96.2Very high129 Ų12948.6 Ų48.656%0.56126%0.257SS*.G310 helixtrans-91.3-6.2175.5-66.8-179.9179.9176.70113.5N86 S87 E91N86-K89 HydrophobicContact CB-CB 4.48Å; N86-K89 PolarHBondContact O-N 2.88Å; N86-K89 WeakPolarHBondContact OD1-CB 3.31Å; N86-K89 VanDerWaalsContact OD1-CG 3.32Å; N86-K89 WeakPolarHBondContact OD1-CG 2.92Å; N86-K89 PolarHBondContact OD1-N 3.14Å; N86-K89 VanDerWaalsContact OD1-N 3.13Å; S87-K89 VanDerWaalsContact C-N 3.26Å; S87-K89 PolarHBondContact O-N 2.79Å; K89-E91 VanDerWaalsContact C-N 3.28Å; K89-E91 HydrophobicContact CB-CB 4.25Å; K89-E91 HydrophobicContact CB-CG 3.99Å; K89-E91 PolarHBondContact O-N 3.1Å
90K98Very high96.4Very high65 Ų6546.9 Ų46.928%0.28324%0.244SC..THydrogen-bonded Turntrans50.746.6-168.4-58.5-172.5173.8-170.50112.8N86 S87 K101 Y102 R103 D338N86-K90 PolarHBondContact O-N 2.81Å; S87-K90 PolarHBondContact O-N 2.73Å; K90-K101 WeakPolarHBondContact O-CA 3.4Å; K90-Y102 HydrophobicContact CB-CD1 4.25Å; K90-Y102 HydrophobicContact CB-CD2 4.08Å; K90-Y102 HydrophobicContact CB-CE1 4Å; K90-Y102 HydrophobicContact CB-CE2 3.83Å; K90-Y102 HydrophobicContact CB-CG 4.29Å; K90-Y102 WeakPolarHBondContact CB-O 3.48Å; K90-Y102 HydrophobicContact CD-CD2 4.42Å; K90-Y102 HydrophobicContact CD-CE2 4.26Å; K90-Y102 WeakPolarHBondContact CD-O 3.47Å; K90-Y102 HydrophobicContact CG-CD2 4.45Å; K90-Y102 HydrophobicContact CG-CE2 3.94Å; K90-Y102 VanDerWaalsContact O-CD1 3.23Å; K90-Y102 WeakPolarHBondContact O-CD1 3.17Å; K90-Y102 WeakPolarHBondContact O-CE1 3.36Å; K90-Y102 PolarHBondContact O-N 3.21Å; K90-Y102 VanDerWaalsContact O-N 3.14Å; K90-R103 PolarHBondContact NZ-O 3.15Å; K90-D338 WeakPolarHBondContact CE-OD2 3.49Å; K90-D338 IonicContact NZ-OD2 2.68Å; K90-D338 PolarHBondContact NZ-OD2 3.26Å
91E97.7Very high96.6Very high44 Ų4449.5 Ų49.521%0.20626%0.255CS..EExtended strand (participates in β ladder)trans-117.3139-177.4-76.2172.5-177.100111.1N86 K89 T99 F100 K101N86-E91 HydrophobicContact CB-CB 4.34Å; N86-E91 PolarHBondContact N-O 3.42Å; N86-E91 PolarHBondContact O-N 3.46Å; K89-E91 VanDerWaalsContact C-N 3.28Å; K89-E91 HydrophobicContact CB-CB 4.25Å; K89-E91 HydrophobicContact CB-CG 3.99Å; K89-E91 PolarHBondContact O-N 3.1Å; E91-T99 HydrophobicContact CB-CG2 4.07Å; E91-T99 HydrophobicContact CG-CG2 4.12Å; E91-F100 CarbonylContact C-O 3.54Å; E91-F100 VanDerWaalsContact CA-O 3.3Å; E91-F100 WeakPolarHBondContact CA-O 3.47Å; E91-K101 HydrophobicContact CG-CD 4.35Å; E91-K101 HydrophobicContact CG-CG 3.66Å; E91-K101 WeakPolarHBondContact OE1-CE 3.49Å; E91-K101 IonicContact OE1-NZ 2.87Å; E91-K101 PolarHBondContact OE1-NZ 3.25Å
92I97.2Very high96.8Very high2 Ų247.5 Ų47.51%0.0125%0.245CC..EExtended strand (participates in β ladder)trans-119.6136.5172.9-62.1175.2000108.3I9 V11 L36 V82 L85 T99 F100 Y102 L105I9-I92 HydrophobicContact CB-CD1 4.39Å; I9-I92 HydrophobicContact CD1-CD1 4.36Å; I9-I92 HydrophobicContact CG2-CD1 3.86Å; V11-I92 HydrophobicContact CG2-CD1 4.03Å; L36-I92 HydrophobicContact CD1-CB 4.45Å; L36-I92 HydrophobicContact CD1-CG2 3.82Å; V82-I92 HydrophobicContact CB-CG2 4.15Å; V82-I92 HydrophobicContact CG1-CG2 3.35Å; V82-I92 HydrophobicContact CG2-CG2 3.66Å; L85-I92 HydrophobicContact CD1-CG1 3.87Å; I92-T99 CarbonylContact O-C 3.52Å; I92-T99 VanDerWaalsContact O-CA 3.31Å; I92-T99 WeakPolarHBondContact O-CA 3.12Å; I92-F100 PolarHBondContact N-O 2.88Å; I92-F100 PolarHBondContact O-N 2.88Å; I92-Y102 HydrophobicContact CD1-CD1 3.93Å; I92-Y102 HydrophobicContact CD1-CE1 4.17Å; I92-Y102 HydrophobicContact CG1-CD1 3.92Å; I92-Y102 HydrophobicContact CG1-CE1 3.87Å; I92-L105 HydrophobicContact CD1-CD1 3.36Å; I92-L105 HydrophobicContact CD1-CD2 3.71Å; I92-L105 HydrophobicContact CD1-CG 4.13Å; I92-L105 HydrophobicContact CG1-CD2 4.29Å
93K97.1Very high96.9Very high82 Ų8252.6 Ų52.636%0.35726%0.263SS..EExtended strand (participates in β ladder)trans-117.2136176.8-167.5-178.1178.8-176.70111.2V83 H84 Q98V83-K93 WeakPolarHBondContact CG2-O 3.27Å; V83-K93 PolarHBondContact N-O 2.94Å; H84-K93 HydrophobicContact CB-CB 4.21Å; H84-K93 PolarHBondContact N-O 2.92Å; H84-K93 PolarHBondContact O-N 2.95Å; K93-Q98 WeakPolarHBondContact CA-O 3.44Å; K93-Q98 WeakPolarHBondContact CG-O 3.31Å
94T96.2Very high97Very high1 Ų150.9 Ų50.91%0.00625%0.251CS..EExtended strand (participates in β ladder)trans-98.6164176.550.40000112L36 S80 Q81 V82 D96 G97 Q98 F100L36-T94 HydrophobicContact CD1-CG2 4.33Å; L36-T94 HydrophobicContact CD2-CG2 4.43Å; S80-T94 WeakPolarHBondContact OG-CB 3.37Å; Q81-T94 CarbonylContact O-C 3.51Å; Q81-T94 WeakPolarHBondContact O-CA 3.36Å; Q81-T94 WeakPolarHBondContact O-CB 3.21Å; V82-T94 HydrophobicContact CG2-CG2 4.22Å; T94-D96 WeakPolarHBondContact CB-OD1 3.48Å; T94-D96 PolarHBondContact O-N 2.87Å; T94-D96 PolarHBondContact OG1-OD1 3.31Å; T94-G97 PolarHBondContact O-N 3.48Å; T94-Q98 PolarHBondContact N-O 3.37Å; T94-Q98 WeakPolarHBondContact OG1-CB 3.31Å; T94-Q98 PolarHBondContact OG1-O 2.88Å; T94-F100 HydrophobicContact CG2-CD2 4.27Å; T94-F100 HydrophobicContact CG2-CE2 3.81Å
95I95.2Very high97.1Very high111 Ų11147.9 Ų47.957%0.56924%0.237SC*.THydrogen-bonded Turntrans-61.8-28.2-173.9-166.3165000113.5Q81 V83 G97Q81-I95 HydrophobicContact CB-CB 4.43Å; Q81-I95 HydrophobicContact CB-CG2 4.12Å; Q81-I95 PolarHBondContact O-N 3.04Å; V83-I95 HydrophobicContact CG1-CB 3.67Å; V83-I95 HydrophobicContact CG1-CD1 4.39Å; V83-I95 HydrophobicContact CG1-CG1 4.06Å; I95-G97 PolarHBondContact O-N 2.93Å
96D93.4Very high97.1Very high84 Ų8447.8 Ų47.845%0.44924%0.237SC..THydrogen-bonded Turntrans-79.2-0.8174.659.110.9000113.7S80 T94 Q98S80-D96 PolarHBondContact OG-OD1 3.34Å; S80-D96 PolarHBondContact OG-OD2 3.49Å; T94-D96 WeakPolarHBondContact CB-OD1 3.48Å; T94-D96 PolarHBondContact O-N 2.87Å; T94-D96 PolarHBondContact OG1-OD1 3.31Å; D96-Q98 WeakPolarHBondContact OD1-CG 3.22Å; D96-Q98 PolarHBondContact OD1-N 2.92Å; D96-Q98 VanDerWaalsContact OD1-N 3.11Å; D96-Q98 PolarHBondContact OD2-NE2 3.32Å
97G93.2Very high97.2Very high24 Ų2446.6 Ų46.625%0.24723%0.23CC..SBendtrans86.87176.900000115.2M1 T94 I95M1-G97 VanDerWaalsContact SD-O 3.39Å; T94-G97 PolarHBondContact O-N 3.48Å; I95-G97 PolarHBondContact O-N 2.93Å
98Q95.9Very high97.2Very high86 Ų8646.1 Ų46.140%0.40223%0.227SC..  trans-70.7149.6170.5-57.4-179.166.900110.9K93 T94 D96 F100K93-Q98 WeakPolarHBondContact CA-O 3.44Å; K93-Q98 WeakPolarHBondContact CG-O 3.31Å; T94-Q98 PolarHBondContact N-O 3.37Å; T94-Q98 WeakPolarHBondContact OG1-CB 3.31Å; T94-Q98 PolarHBondContact OG1-O 2.88Å; D96-Q98 WeakPolarHBondContact OD1-CG 3.22Å; D96-Q98 PolarHBondContact OD1-N 2.92Å; D96-Q98 VanDerWaalsContact OD1-N 3.11Å; D96-Q98 PolarHBondContact OD2-NE2 3.32Å; Q98-F100 HydrophobicContact CB-CE2 3.65Å; Q98-F100 HydrophobicContact CB-CZ 3.8Å
99T97.7Very high97.2Very high17 Ų1742.7 Ų42.710%0.10420%0.204CC..EExtended strand (participates in β ladder)trans-127.2132.7178.5-57.60000109.8L3 C4 E91 I92L3-T99 HydrophobicContact CD1-CG2 3.82Å; C4-T99 PolarHBondContact N-O 3.28Å; E91-T99 HydrophobicContact CB-CG2 4.07Å; E91-T99 HydrophobicContact CG-CG2 4.12Å; I92-T99 CarbonylContact O-C 3.52Å; I92-T99 VanDerWaalsContact O-CA 3.31Å; I92-T99 WeakPolarHBondContact O-CA 3.12Å
100F98Very high97.1Very high7 Ų737.4 Ų37.43%0.03119%0.187CC..EExtended strand (participates in β ladder)trans-122.6139.5-177.9-56.5-85.8000110.7C4 I9 L34 L36 V78 E91 I92 T94 Q98C4-F100 HydrophobicContact CB-CD1 3.76Å; C4-F100 HydrophobicContact CB-CE1 3.99Å; C4-F100 CarbonylContact O-C 3.55Å; C4-F100 VanDerWaalsContact O-CA 3.25Å; C4-F100 WeakPolarHBondContact O-CA 2.99Å; I9-F100 HydrophobicContact CD1-CB 3.69Å; L34-F100 HydrophobicContact CD2-CB 4.07Å; L34-F100 HydrophobicContact CD2-CD1 3.26Å; L34-F100 HydrophobicContact CD2-CE1 3.8Å; L34-F100 HydrophobicContact CD2-CG 3.74Å; L36-F100 HydrophobicContact CD1-CD2 4.08Å; L36-F100 HydrophobicContact CD2-CD2 4.18Å; L36-F100 HydrophobicContact CD2-CE2 4.01Å; L36-F100 HydrophobicContact CD2-CZ 4.29Å; V78-F100 HydrophobicContact CG1-CZ 4.35Å; V78-F100 HydrophobicContact CG2-CZ 4.5Å; E91-F100 CarbonylContact C-O 3.54Å; E91-F100 VanDerWaalsContact CA-O 3.3Å; E91-F100 WeakPolarHBondContact CA-O 3.47Å; I92-F100 PolarHBondContact N-O 2.88Å; I92-F100 PolarHBondContact O-N 2.88Å; T94-F100 HydrophobicContact CG2-CD2 4.27Å; T94-F100 HydrophobicContact CG2-CE2 3.81Å; Q98-F100 HydrophobicContact CB-CE2 3.65Å; Q98-F100 HydrophobicContact CB-CZ 3.8Å
101K98.4Very high96.8Very high65 Ų6534.4 Ų34.428%0.28317%0.174SC..EExtended strand (participates in β ladder)trans-102.2142.5171.1-80.6-173.2-179.2174.90111.7L3 C4 E5 A6 K90 E91L3-K101 HydrophobicContact CD1-CD 4.4Å; L3-K101 HydrophobicContact CD1-CG 4.08Å; L3-K101 HydrophobicContact CD2-CD 3.83Å; L3-K101 HydrophobicContact CD2-CG 4.37Å; L3-K101 HydrophobicContact CG-CD 4.38Å; L3-K101 HydrophobicContact CG-CG 4.4Å; C4-K101 PolarHBondContact O-N 2.65Å; E5-K101 WeakPolarHBondContact CA-O 3.49Å; E5-K101 HydrophobicContact CB-CB 4.26Å; E5-K101 HydrophobicContact CG-CB 4.04Å; A6-K101 PolarHBondContact N-O 3.08Å; K90-K101 WeakPolarHBondContact O-CA 3.4Å; E91-K101 HydrophobicContact CG-CD 4.35Å; E91-K101 HydrophobicContact CG-CG 3.66Å; E91-K101 WeakPolarHBondContact OE1-CE 3.49Å; E91-K101 IonicContact OE1-NZ 2.87Å; E91-K101 PolarHBondContact OE1-NZ 3.25Å
102Y98.3Very high96.6Very high6 Ų637.7 Ų37.72%0.02419%0.185CC..EExtended strand (participates in β ladder)trans-123154.9176.961-92000111.8A6 L85 K90 I92 L105 V339A6-Y102 WeakPolarHBondContact O-CA 3.25Å; L85-Y102 HydrophobicContact CD1-CE1 3.77Å; L85-Y102 WeakPolarHBondContact CD1-OH 3.22Å; K90-Y102 HydrophobicContact CB-CD1 4.25Å; K90-Y102 HydrophobicContact CB-CD2 4.08Å; K90-Y102 HydrophobicContact CB-CE1 4Å; K90-Y102 HydrophobicContact CB-CE2 3.83Å; K90-Y102 HydrophobicContact CB-CG 4.29Å; K90-Y102 WeakPolarHBondContact CB-O 3.48Å; K90-Y102 HydrophobicContact CD-CD2 4.42Å; K90-Y102 HydrophobicContact CD-CE2 4.26Å; K90-Y102 WeakPolarHBondContact CD-O 3.47Å; K90-Y102 HydrophobicContact CG-CD2 4.45Å; K90-Y102 HydrophobicContact CG-CE2 3.94Å; K90-Y102 VanDerWaalsContact O-CD1 3.23Å; K90-Y102 WeakPolarHBondContact O-CD1 3.17Å; K90-Y102 WeakPolarHBondContact O-CE1 3.36Å; K90-Y102 PolarHBondContact O-N 3.21Å; K90-Y102 VanDerWaalsContact O-N 3.14Å; I92-Y102 HydrophobicContact CD1-CD1 3.93Å; I92-Y102 HydrophobicContact CD1-CE1 4.17Å; I92-Y102 HydrophobicContact CG1-CD1 3.92Å; I92-Y102 HydrophobicContact CG1-CE1 3.87Å; Y102-L105 HydrophobicContact CD1-CB 4.23Å; Y102-L105 HydrophobicContact CD1-CD2 4.36Å; Y102-L105 HydrophobicContact CD2-CB 3.59Å; Y102-L105 HydrophobicContact CE1-CB 4.26Å; Y102-L105 HydrophobicContact CE1-CD2 3.83Å; Y102-L105 HydrophobicContact CE2-CB 3.61Å; Y102-L105 HydrophobicContact CE2-CD2 4.36Å; Y102-L105 HydrophobicContact CG-CB 3.91Å; Y102-V339 HydrophobicContact CE2-CG2 4.33Å
103R98.4Very high96.3Very high118 Ų11838.5 Ų38.545%0.44519%0.19SC..EExtended strand (participates in β ladder)trans-91.7-40.6160.3-62.9-171.3177173.80.7111.5A6 T7 K90 D338A6-R103 PolarHBondContact O-N 3.02Å; T7-R103 HydrophobicContact CG2-CB 4.48Å; T7-R103 WeakPolarHBondContact O-CA 3.34Å; T7-R103 WeakPolarHBondContact O-CB 3.2Å; T7-R103 PolarHBondContact O-N 3.01Å; K90-R103 PolarHBondContact NZ-O 3.15Å; R103-D338 WeakPolarHBondContact O-CB 3.46Å
104K98.8Very high96.1Very high19 Ų1939.9 Ų39.98%0.08320%0.196CC..EExtended strand (participates in β ladder)trans-132.6137.9174.6-57.3-70.6178.2178.70109.6T7 F8 I9 D338 Y340 M376 N379T7-K104 PolarHBondContact O-N 3.26Å; F8-K104 WeakPolarHBondContact CA-O 3.27Å; F8-K104 HydrophobicContact CD1-CB 3.77Å; F8-K104 HydrophobicContact CD1-CG 4.22Å; F8-K104 HydrophobicContact CE1-CB 4.08Å; F8-K104 HydrophobicContact CE1-CG 4.01Å; I9-K104 PolarHBondContact N-O 2.74Å; K104-D338 WeakPolarHBondContact CA-O 3.22Å; K104-D338 HydrophobicContact CD-CB 4.02Å; K104-D338 IonicContact NZ-OD1 3.97Å; K104-D338 PolarHBondContact NZ-OD1 3.39Å; K104-Y340 HydrophobicContact CD-CE2 3.98Å; K104-M376 HydrophobicContact CB-CE 4.04Å; K104-N379 WeakPolarHBondContact CE-OD1 3.3Å; K104-N379 PolarHBondContact NZ-OD1 3.46Å
105L98.9Very high96.1Very high0 Ų043.6 Ų43.60%022%0.215CC..EExtended strand (participates in β ladder)trans-122.5134.3-177.4170.158.6000110.7I9 V11 L85 I92 Y102 L107 D338 V339 Y340I9-L105 HydrophobicContact CB-CD1 4.1Å; I9-L105 HydrophobicContact CG2-CD1 4.02Å; I9-L105 CarbonylContact O-C 3.5Å; I9-L105 VanDerWaalsContact O-CA 3.3Å; I9-L105 WeakPolarHBondContact O-CA 3.45Å; I9-L105 WeakPolarHBondContact O-CD1 3.23Å; V11-L105 HydrophobicContact CG2-CD1 3.71Å; L85-L105 HydrophobicContact CD1-CD2 3.64Å; L85-L105 HydrophobicContact CD2-CD2 4.1Å; I92-L105 HydrophobicContact CD1-CD1 3.36Å; I92-L105 HydrophobicContact CD1-CD2 3.71Å; I92-L105 HydrophobicContact CD1-CG 4.13Å; I92-L105 HydrophobicContact CG1-CD2 4.29Å; Y102-L105 HydrophobicContact CD1-CB 4.23Å; Y102-L105 HydrophobicContact CD1-CD2 4.36Å; Y102-L105 HydrophobicContact CD2-CB 3.59Å; Y102-L105 HydrophobicContact CE1-CB 4.26Å; Y102-L105 HydrophobicContact CE1-CD2 3.83Å; Y102-L105 HydrophobicContact CE2-CB 3.61Å; Y102-L105 HydrophobicContact CE2-CD2 4.36Å; Y102-L105 HydrophobicContact CG-CB 3.91Å; L105-L107 HydrophobicContact CD1-CD2 4.13Å; L105-L107 HydrophobicContact CD2-CD2 3.93Å; L105-L107 HydrophobicContact CD2-CG 4.4Å; L105-L107 HydrophobicContact CG-CD2 4.05Å; L105-L107 HydrophobicContact CG-CG 4.37Å; L105-D338 PolarHBondContact N-O 3.37Å; L105-V339 HydrophobicContact CB-CG1 4.47Å; L105-V339 HydrophobicContact CB-CG2 4.28Å; L105-V339 HydrophobicContact CD2-CG1 4.06Å; L105-V339 HydrophobicContact CD2-CG2 4.08Å; L105-V339 HydrophobicContact CG-CG1 4.17Å; L105-V339 CarbonylContact O-C 3.54Å; L105-V339 WeakPolarHBondContact O-CA 3.27Å; L105-Y340 PolarHBondContact O-N 3.04Å
106C98.9Very high96Very high0 Ų041 Ų410%020%0.202CC..EExtended strand (participates in β ladder)trans-111.2124.3166.8-168.20000111.4I9 V10 V11 Y340 M376I9-C106 PolarHBondContact O-N 2.71Å; V10-C106 HydrophobicContact CB-CB 4.45Å; V10-C106 HydrophobicContact CG1-CB 4.21Å; V10-C106 HydrophobicContact CG2-CB 4.13Å; V11-C106 PolarHBondContact N-O 3.49Å; C106-Y340 CarbonylContact C-O 3.59Å; C106-Y340 WeakPolarHBondContact CA-O 3.34Å; C106-M376 HydrophobicContact CB-CE 4.01Å; C106-M376 HydrophobicContact CB-SD 3.58Å; C106-M376 VanDerWaalsContact CB-SD 3.58Å
107L98.8Very high96.1Very high1 Ų138.3 Ų38.31%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-95.191.6172.9-60.7-178.3000110.4V11 L105 F311 F318 L326 V339 Y340 A341 A342 S345V11-L107 HydrophobicContact CB-CD2 4.2Å; V11-L107 HydrophobicContact CG2-CD2 4.22Å; L105-L107 HydrophobicContact CD1-CD2 4.13Å; L105-L107 HydrophobicContact CD2-CD2 3.93Å; L105-L107 HydrophobicContact CD2-CG 4.4Å; L105-L107 HydrophobicContact CG-CD2 4.05Å; L105-L107 HydrophobicContact CG-CG 4.37Å; L107-F311 HydrophobicContact CD1-CB 4.1Å; L107-F311 HydrophobicContact CD1-CD1 4.34Å; L107-F311 HydrophobicContact CD1-CD2 3.93Å; L107-F311 HydrophobicContact CD1-CE2 4.48Å; L107-F311 HydrophobicContact CD1-CG 3.85Å; L107-F311 HydrophobicContact CD2-CD1 4.06Å; L107-F311 HydrophobicContact CD2-CD2 4.28Å; L107-F311 HydrophobicContact CD2-CE1 3.84Å; L107-F311 HydrophobicContact CD2-CE2 4.09Å; L107-F311 HydrophobicContact CD2-CG 4.27Å; L107-F311 HydrophobicContact CD2-CZ 3.87Å; L107-F318 HydrophobicContact CD1-CE1 4.17Å; L107-F318 HydrophobicContact CD1-CE2 4.49Å; L107-F318 HydrophobicContact CD1-CZ 3.76Å; L107-L326 HydrophobicContact CB-CD1 4.25Å; L107-L326 HydrophobicContact CD1-CD1 3.65Å; L107-V339 HydrophobicContact CD1-CG1 3.82Å; L107-V339 HydrophobicContact CG-CG1 3.92Å; L107-Y340 PolarHBondContact N-O 3.48Å; L107-A341 HydrophobicContact CB-CB 4.28Å; L107-A341 WeakPolarHBondContact O-CA 3.31Å; L107-A342 PolarHBondContact O-N 2.98Å; L107-S345 PolarHBondContact O-OG 3.09Å
108A98.3Very high96.1Very high4 Ų445.6 Ų45.63%0.03322%0.224CC..  trans-109.445179.700000111.4V10 V11 A16 A17 G110V10-A108 HydrophobicContact CG1-CB 4.47Å; V11-A108 CarbonylContact O-C 3.58Å; V11-A108 WeakPolarHBondContact O-CA 3.44Å; V11-A108 PolarHBondContact O-N 2.82Å; A16-A108 HydrophobicContact CB-CB 4.15Å; A17-A108 HydrophobicContact CB-CB 3.78Å; A108-G110 PolarHBondContact O-N 2.65Å
109T96.5Very high96.1Very high32 Ų3243.8 Ų43.820%0.19622%0.215CC..  trans-79.31.3-173.150.80000114.9V11 N307 F311V11-T109 HydrophobicContact CB-CG2 4.45Å; V11-T109 HydrophobicContact CG1-CG2 3.8Å; T109-N307 WeakPolarHBondContact CB-O 3.35Å; T109-N307 WeakPolarHBondContact O-CB 3.28Å; T109-N307 PolarHBondContact O-ND2 2.85Å; T109-N307 PolarHBondContact OG1-O 2.81Å; T109-F311 HydrophobicContact CG2-CE2 3.55Å; T109-F311 HydrophobicContact CG2-CZ 3.73Å
110G94.3Very high95.9Very high18 Ų1847.5 Ų47.519%0.18624%0.24CC..  trans62.5-146.1178.200000113A108 N307 D344 S345A108-G110 PolarHBondContact O-N 2.65Å; G110-N307 WeakPolarHBondContact O-CB 3.38Å; G110-N307 PolarHBondContact O-N 3.38Å; G110-D344 CarbonylContact O-C 3.55Å; G110-S345 WeakPolarHBondContact O-CA 3.2Å; G110-S345 PolarHBondContact O-N 2.82Å
111G92.6Very high95.9Very high2 Ų249.1 Ų49.12%0.02125%0.249CC..EExtended strand (participates in β ladder)trans-141.7166.5179.400000111.2R126 V305 N307G111-R126 VanDerWaalsContact C-NE 3.34Å; G111-R126 PolarHBondContact O-NE 3.1Å; G111-R126 PolarHBondContact O-NH2 3.28Å; G111-V305 CarbonylContact C-O 3.59Å; G111-V305 WeakPolarHBondContact CA-O 3.43Å; G111-N307 PolarHBondContact O-ND2 3.47Å
112R91.8Very high95.9Very high113 Ų11346.6 Ų46.643%0.42624%0.239SC..EExtended strand (participates in β ladder)trans-112.1157.5174.865.5-173.3176.9-76.30110.7K114 V304 V305 P306 N307R112-K114 PolarHBondContact O-N 2.92Å; R112-V304 CarbonylContact O-C 3.05Å; R112-V304 VanDerWaalsContact O-CA 3.28Å; R112-V304 WeakPolarHBondContact O-CA 3.18Å; R112-V305 HydrophobicContact CG-CB 4.22Å; R112-V305 PolarHBondContact N-O 3.25Å; R112-V305 PolarHBondContact O-N 3Å; R112-P306 PolarHBondContact NH1-O 3.29Å; R112-P306 VanDerWaalsContact NH1-O 3.17Å; R112-N307 WeakPolarHBondContact CB-OD1 3.37Å; R112-N307 WeakPolarHBondContact CD-OD1 3.29Å; R112-N307 VanDerWaalsContact CG-OD1 3.28Å; R112-N307 WeakPolarHBondContact CG-OD1 3.29Å; R112-N307 PolarHBondContact N-ND2 3.24Å; R112-N307 PolarHBondContact N-OD1 2.71Å; R112-N307 PolarHBondContact NH1-OD1 2.97Å
113P92.2Very high95.7Very high18 Ų1847 Ų4712%0.11724%0.242CC..EExtended strand (participates in β ladder)trans-55.2137.8175.4-22.831.5000112.1I115 R126 T130P113-I115 HydrophobicContact CB-CD1 4Å; P113-I115 PolarHBondContact O-N 2.87Å; P113-R126 HydrophobicContact CG-CB 3.77Å; P113-T130 HydrophobicContact CG-CG2 4.45Å
114K93.2Very high95.5Very high112 Ų11241.7 Ų41.749%0.48722%0.223SC..  trans-75.6110.2167.5-173.5176.3-177.5170.10108.3R112 S300 T302 G303 V305R112-K114 PolarHBondContact O-N 2.92Å; K114-S300 PolarHBondContact O-OG 2.87Å; K114-T302 PolarHBondContact O-OG1 2.8Å; K114-G303 VanDerWaalsContact CB-O 3.28Å; K114-G303 WeakPolarHBondContact CB-O 3.2Å; K114-G303 PolarHBondContact N-O 3.19Å; K114-V305 HydrophobicContact CB-CG2 4.05Å; K114-V305 HydrophobicContact CG-CG2 4.2Å
115I94.6Very high95Very high79 Ų7941 Ų4141%0.40522%0.221SC..  trans-88.7126.6-179.6-55.8-57.3000109.8P113 A117 V122 G124P113-I115 HydrophobicContact CB-CD1 4Å; P113-I115 PolarHBondContact O-N 2.87Å; I115-A117 VanDerWaalsContact C-N 3.35Å; I115-A117 WeakPolarHBondContact CG2-O 3.48Å; I115-V122 HydrophobicContact CG2-CG1 4Å; I115-G124 VanDerWaalsContact CD1-CA 3.48Å
116I94.6Very high94.4Very high57 Ų5742.5 Ų42.529%0.29223%0.226SC..SBendtrans-73.2-23.8-179.353.5165.4000113.9V122 V147 V252 V298 S300 T302I116-V122 HydrophobicContact CD1-CG1 4.45Å; I116-V122 HydrophobicContact CG1-CG1 3.81Å; I116-V147 HydrophobicContact CD1-CB 4.16Å; I116-V147 HydrophobicContact CD1-CG1 4.22Å; I116-V147 HydrophobicContact CD1-CG2 3.9Å; I116-V147 HydrophobicContact CG2-CG1 4.39Å; I116-V252 HydrophobicContact CD1-CB 4.03Å; I116-V252 HydrophobicContact CD1-CG1 4.15Å; I116-V252 HydrophobicContact CD1-CG2 3.8Å; I116-V298 HydrophobicContact CD1-CG1 3.99Å; I116-S300 WeakPolarHBondContact CG2-OG 3.18Å; I116-S300 PolarHBondContact N-OG 3.11Å; I116-S300 VanDerWaalsContact N-OG 3.08Å; I116-T302 HydrophobicContact CG2-CG2 3.63Å
117A94.3Very high93.6Very high27 Ų2742.9 Ų42.922%0.22323%0.228CC..SBendtrans-158.9138.1178.400000110.5I115 H119 V122 V255I115-A117 VanDerWaalsContact C-N 3.35Å; I115-A117 WeakPolarHBondContact CG2-O 3.48Å; A117-H119 PolarHBondContact O-N 2.78Å; A117-V122 HydrophobicContact CB-CG2 4.43Å; A117-V255 HydrophobicContact CB-CB 4.25Å; A117-V255 HydrophobicContact CB-CG2 3.6Å
118D93.4Very high92.8Very high177 Ų17743.8 Ų43.895%0.94723%0.234SC*.  trans-74.589.5171.6-175.219.6000109.5
119H95.5Very high92Very high47 Ų4746.5 Ų46.522%0.21825%0.246CC..  trans-148.5137.9-176.3-175.3-84.6000109.9A117 N121 V122 V255A117-H119 PolarHBondContact O-N 2.78Å; H119-N121 PolarHBondContact CE1-OD1 3.24Å; H119-N121 PolarHBondContact ND1-N 2.9Å; H119-N121 VanDerWaalsContact ND1-N 3.11Å; H119-N121 PolarHBondContact O-N 2.81Å; H119-N121 VanDerWaalsContact O-N 3.12Å; H119-V122 HydrophobicContact CB-CB 4.26Å; H119-V122 HydrophobicContact CB-CG2 3.79Å; H119-V122 PolarHBondContact O-N 3.2Å; H119-V255 HydrophobicContact CB-CG1 4.13Å
120P95Very high91.6Very high96 Ų9646.5 Ų46.562%0.62325%0.246SC*.THydrogen-bonded Turntrans-60.7-27.9-173.922.7-35.2000114.3R137P120-R137 PolarHBondContact O-NH1 3.15Å; P120-R137 PolarHBondContact O-NH2 2.82Å
121N97.1Very high91.2Very high41 Ų4145.8 Ų45.822%0.21924%0.238CC..THydrogen-bonded Turntrans-92.511.6174.8-60.785.2000114H119 V283 D296 F297 V298H119-N121 PolarHBondContact CE1-OD1 3.24Å; H119-N121 PolarHBondContact ND1-N 2.9Å; H119-N121 VanDerWaalsContact ND1-N 3.11Å; H119-N121 PolarHBondContact O-N 2.81Å; H119-N121 VanDerWaalsContact O-N 3.12Å; N121-V283 HydrophobicContact CB-CB 3.74Å; N121-V283 HydrophobicContact CB-CG1 3.7Å; N121-V283 HydrophobicContact CB-CG2 4.19Å; N121-D296 PolarHBondContact ND2-O 2.75Å; N121-F297 HydrophobicContact CB-CB 4.31Å; N121-F297 CarbonylContact O-C 3.35Å; N121-F297 WeakPolarHBondContact O-CA 3.28Å; N121-F297 WeakPolarHBondContact O-CB 3.08Å; N121-V298 PolarHBondContact O-N 2.6Å
122V97.4Very high90.9Very high11 Ų1151 Ų517%0.06726%0.262CS..EExtended strand (participates in β ladder)trans-111.7119.2171.3179.40000107.4I115 I116 A117 H119 V255 V298I115-V122 HydrophobicContact CG2-CG1 4Å; I116-V122 HydrophobicContact CD1-CG1 4.45Å; I116-V122 HydrophobicContact CG1-CG1 3.81Å; A117-V122 HydrophobicContact CB-CG2 4.43Å; H119-V122 HydrophobicContact CB-CB 4.26Å; H119-V122 HydrophobicContact CB-CG2 3.79Å; H119-V122 PolarHBondContact O-N 3.2Å; V122-V255 HydrophobicContact CG2-CG1 3.98Å; V122-V255 HydrophobicContact CG2-CG2 4.07Å; V122-V298 WeakPolarHBondContact CA-O 3.34Å; V122-V298 HydrophobicContact CG2-CB 4.11Å; V122-V298 HydrophobicContact CG2-CG2 4.43Å
123I95.6Very high90.8Very high16 Ų1649.6 Ų49.68%0.08226%0.26CS..EExtended strand (participates in β ladder)trans-120149.8178.567.4173.8000109.8F134 R137 F297 V298 V299 S300I123-F134 HydrophobicContact CD1-CB 4.11Å; I123-F134 HydrophobicContact CD1-CD2 3.99Å; I123-R137 VanDerWaalsContact CG2-CZ 3.46Å; I123-F297 HydrophobicContact CD1-CD2 3.84Å; I123-F297 HydrophobicContact CD1-CE2 3.62Å; I123-F297 HydrophobicContact CG1-CD2 4.03Å; I123-F297 HydrophobicContact CG1-CE2 4.2Å; I123-V298 PolarHBondContact N-O 2.94Å; I123-V299 HydrophobicContact CG1-CG2 4.36Å; I123-V299 CarbonylContact O-C 3.58Å; I123-V299 WeakPolarHBondContact O-CA 3.34Å; I123-S300 WeakPolarHBondContact O-CB 3.01Å; I123-S300 PolarHBondContact O-N 3.03Å
124G93.1Very high90.8Very high6 Ų648.8 Ų48.86%0.06225%0.254CS..EExtended strand (participates in β ladder)trans-103.3157.4164.900000109.7I115 T130I115-G124 VanDerWaalsContact CD1-CA 3.48Å; G124-T130 VanDerWaalsContact O-CB 3.31Å; G124-T130 WeakPolarHBondContact O-CB 3.09Å; G124-T130 WeakPolarHBondContact O-CG2 3.49Å
125I88.8Confident90.8Very high5 Ų544 Ų443%0.02624%0.237CC..  trans-127.3132.7178.4-63.3176000108.7V131 F134 I152 I156 V299I125-V131 HydrophobicContact CG2-CG2 3.56Å; I125-F134 HydrophobicContact CD1-CB 3.61Å; I125-F134 HydrophobicContact CD1-CD1 3.65Å; I125-F134 HydrophobicContact CD1-CD2 3.51Å; I125-F134 HydrophobicContact CD1-CE1 4.13Å; I125-F134 HydrophobicContact CD1-CE2 3.99Å; I125-F134 HydrophobicContact CD1-CG 3.29Å; I125-F134 HydrophobicContact CD1-CZ 4.26Å; I125-F134 HydrophobicContact CG1-CB 4.08Å; I125-F134 HydrophobicContact CG1-CG 4.28Å; I125-I152 HydrophobicContact CB-CG2 4.41Å; I125-I156 HydrophobicContact CD1-CD1 3.7Å; I125-V299 HydrophobicContact CD1-CG1 3.61Å; I125-V299 HydrophobicContact CD1-CG2 4.31Å; I125-V299 HydrophobicContact CG1-CG1 4Å
126R86.2Confident90.7Very high31 Ų3143.1 Ų43.112%0.11724%0.241CC..  trans-163.5-40.9175.3179.5161.1157.9103.47.3114.7G111 P113 T130 A224 D344G111-R126 VanDerWaalsContact C-NE 3.34Å; G111-R126 PolarHBondContact O-NE 3.1Å; G111-R126 PolarHBondContact O-NH2 3.28Å; P113-R126 HydrophobicContact CG-CB 3.77Å; R126-T130 PolarHBondContact N-OG1 3.42Å; R126-A224 WeakPolarHBondContact O-CA 3.38Å; R126-D344 IonicContact CZ-OD2 2.75Å; R126-D344 IonicContact NH1-OD2 3.53Å; R126-D344 PolarHBondContact NH1-OD2 3.42Å; R126-D344 IonicContact NH2-OD2 3.78Å; R126-D344 PolarHBondContact NH2-OD2 3.36Å
127D82.9Confident90.7Very high8 Ų843.9 Ų43.94%0.04324%0.241CC..BIsolated β-bridgetrans-117.9176.7-171.951.430.4000112.1E129 T130 V131 G222 S223D127-E129 VanDerWaalsContact C-N 3.29Å; D127-E129 PolarHBondContact O-N 3.33Å; D127-T130 PolarHBondContact N-OG1 2.99Å; D127-T130 PolarHBondContact O-N 3Å; D127-T130 PolarHBondContact O-OG1 2.89Å; D127-T130 VanDerWaalsContact O-OG1 3.09Å; D127-T130 VanDerWaalsContact OD1-CB 3.27Å; D127-T130 WeakPolarHBondContact OD1-CB 3.49Å; D127-T130 VanDerWaalsContact OD1-CG2 3.22Å; D127-T130 WeakPolarHBondContact OD1-CG2 3.46Å; D127-T130 PolarHBondContact OD1-N 2.81Å; D127-T130 PolarHBondContact OD1-OG1 2.83Å; D127-V131 WeakPolarHBondContact O-CG2 3.47Å; D127-V131 PolarHBondContact O-N 3.19Å; D127-G222 VanDerWaalsContact CB-C 3.45Å; D127-G222 VanDerWaalsContact OD2-CA 3.28Å; D127-G222 WeakPolarHBondContact OD2-CA 3.31Å; D127-G222 PolarHBondContact OD2-N 3.4Å; D127-S223 WeakPolarHBondContact CA-O 3.38Å; D127-S223 VanDerWaalsContact CB-O 3.28Å; D127-S223 WeakPolarHBondContact CB-O 3.28Å
128T80.5Confident90.7Very high19 Ų1942.6 Ų42.612%0.11723%0.23CC..Hα-helixtrans-52.2-49.7-178.7-48.70000111.3K43 E62 T130 V131 E132 L225K43-T128 PolarHBondContact NZ-OG1 3.42Å; E62-T128 PolarHBondContact OE1-OG1 2.87Å; E62-T128 VanDerWaalsContact OE1-OG1 3.12Å; T128-T130 PolarHBondContact O-N 3.19Å; T128-V131 PolarHBondContact O-N 2.85Å; T128-E132 WeakPolarHBondContact O-CG 3.5Å; T128-E132 PolarHBondContact O-N 3.48Å; T128-L225 HydrophobicContact CG2-CD2 4.38Å; T128-L225 WeakPolarHBondContact OG1-CD2 3.41Å
129E82.6Confident90.8Very high62 Ų6240.5 Ų40.529%0.2921%0.213SC..Hα-helixtrans-65-43-173.8-63.678.9-178.500111.4D127 E132 E133 G222D127-E129 VanDerWaalsContact C-N 3.29Å; D127-E129 PolarHBondContact O-N 3.33Å; E129-E132 PolarHBondContact O-N 2.91Å; E129-E133 PolarHBondContact O-N 2.84Å; E129-E133 VanDerWaalsContact O-N 3.13Å; E129-G222 WeakPolarHBondContact OE2-CA 3.49Å
130T87.4Confident90.7Very high32 Ų3244.2 Ų44.220%0.19623%0.234CC..Hα-helixtrans-70.8-30177.351.70000113.4P113 G124 R126 D127 T128 F134P113-T130 HydrophobicContact CG-CG2 4.45Å; G124-T130 VanDerWaalsContact O-CB 3.31Å; G124-T130 WeakPolarHBondContact O-CB 3.09Å; G124-T130 WeakPolarHBondContact O-CG2 3.49Å; R126-T130 PolarHBondContact N-OG1 3.42Å; D127-T130 PolarHBondContact N-OG1 2.99Å; D127-T130 PolarHBondContact O-N 3Å; D127-T130 PolarHBondContact O-OG1 2.89Å; D127-T130 VanDerWaalsContact O-OG1 3.09Å; D127-T130 VanDerWaalsContact OD1-CB 3.27Å; D127-T130 WeakPolarHBondContact OD1-CB 3.49Å; D127-T130 VanDerWaalsContact OD1-CG2 3.22Å; D127-T130 WeakPolarHBondContact OD1-CG2 3.46Å; D127-T130 PolarHBondContact OD1-N 2.81Å; D127-T130 PolarHBondContact OD1-OG1 2.83Å; T128-T130 PolarHBondContact O-N 3.19Å; T130-F134 WeakPolarHBondContact O-CB 3.38Å; T130-F134 PolarHBondContact O-N 3.2Å
131V86.5Confident90.8Very high2 Ų239.7 Ų39.71%0.01221%0.205CC..Hα-helixtrans-73.2-38.6174172.10000111.8I125 D127 T128 F134 G135 L225 W229 C233I125-V131 HydrophobicContact CG2-CG2 3.56Å; D127-V131 WeakPolarHBondContact O-CG2 3.47Å; D127-V131 PolarHBondContact O-N 3.19Å; T128-V131 PolarHBondContact O-N 2.85Å; V131-F134 WeakPolarHBondContact O-CB 3.4Å; V131-F134 PolarHBondContact O-N 3.44Å; V131-G135 PolarHBondContact O-N 3.07Å; V131-L225 HydrophobicContact CB-CD1 3.71Å; V131-L225 HydrophobicContact CG1-CD1 4.22Å; V131-L225 HydrophobicContact CG2-CD1 3.33Å; V131-W229 HydrophobicContact CB-CE3 4.47Å; V131-W229 HydrophobicContact CG1-CE3 3.85Å; V131-W229 HydrophobicContact CG1-CZ3 3.98Å; V131-W229 HydrophobicContact CG2-CE3 3.67Å; V131-W229 HydrophobicContact CG2-CZ3 3.86Å; V131-C233 HydrophobicContact CG1-CB 4Å; V131-C233 WeakPolarHBondContact CG1-SG 3.43Å
132E86.5Confident90.8Very high113 Ų11343.2 Ų43.253%0.52822%0.215SC..Hα-helixtrans-60.3-46.2173.9-74.6-179.8173.200111.3T128 E129 F134 G135 A136T128-E132 WeakPolarHBondContact O-CG 3.5Å; T128-E132 PolarHBondContact O-N 3.48Å; E129-E132 PolarHBondContact O-N 2.91Å; E132-F134 VanDerWaalsContact C-N 3.34Å; E132-F134 PolarHBondContact O-N 2.85Å; E132-G135 PolarHBondContact O-N 3.22Å; E132-A136 WeakPolarHBondContact O-CB 3.27Å; E132-A136 PolarHBondContact O-N 3.34Å
133E89.7Confident90.9Very high83 Ų8342.8 Ų42.839%0.38821%0.212SC..Hα-helixtrans-63.2-40.4175.3178.863.9178.500111.8E129 A136 R137E129-E133 PolarHBondContact O-N 2.84Å; E129-E133 VanDerWaalsContact O-N 3.13Å; E133-A136 PolarHBondContact O-N 3.03Å; E133-R137 WeakPolarHBondContact O-CG 3.38Å; E133-R137 PolarHBondContact O-N 2.99Å; E133-R137 IonicContact OE1-CZ 2.73Å; E133-R137 IonicContact OE1-NE 3.54Å; E133-R137 PolarHBondContact OE1-NE 2.97Å; E133-R137 IonicContact OE1-NH2 3.81Å; E133-R137 PolarHBondContact OE1-NH2 3.35Å
134F92.7Very high91Very high0 Ų042 Ų420%021%0.208CC..Hα-helixtrans-59.1-50.8174.7173-121.3000111.8I123 I125 T130 V131 E132 A136 R137 L138 I144 I156 V160 I235 F297 V299I123-F134 HydrophobicContact CD1-CB 4.11Å; I123-F134 HydrophobicContact CD1-CD2 3.99Å; I125-F134 HydrophobicContact CD1-CB 3.61Å; I125-F134 HydrophobicContact CD1-CD1 3.65Å; I125-F134 HydrophobicContact CD1-CD2 3.51Å; I125-F134 HydrophobicContact CD1-CE1 4.13Å; I125-F134 HydrophobicContact CD1-CE2 3.99Å; I125-F134 HydrophobicContact CD1-CG 3.29Å; I125-F134 HydrophobicContact CD1-CZ 4.26Å; I125-F134 HydrophobicContact CG1-CB 4.08Å; I125-F134 HydrophobicContact CG1-CG 4.28Å; T130-F134 WeakPolarHBondContact O-CB 3.38Å; T130-F134 PolarHBondContact O-N 3.2Å; V131-F134 WeakPolarHBondContact O-CB 3.4Å; V131-F134 PolarHBondContact O-N 3.44Å; E132-F134 VanDerWaalsContact C-N 3.34Å; E132-F134 PolarHBondContact O-N 2.85Å; F134-A136 VanDerWaalsContact C-N 3.35Å; F134-A136 PolarHBondContact O-N 2.81Å; F134-R137 PolarHBondContact O-N 3.46Å; F134-L138 HydrophobicContact CE1-CD2 3.95Å; F134-L138 HydrophobicContact CE2-CB 4.49Å; F134-L138 HydrophobicContact CE2-CD2 4.35Å; F134-L138 HydrophobicContact CZ-CD2 3.79Å; F134-L138 WeakPolarHBondContact O-CB 3.05Å; F134-L138 PolarHBondContact O-N 3.46Å; F134-I144 HydrophobicContact CE2-CD1 4.25Å; F134-I144 HydrophobicContact CZ-CD1 4.39Å; F134-I156 HydrophobicContact CZ-CG2 4.02Å; F134-V160 HydrophobicContact CE1-CG2 3.87Å; F134-V160 HydrophobicContact CZ-CG2 3.63Å; F134-I235 HydrophobicContact CD1-CG2 4.26Å; F134-I235 HydrophobicContact CE1-CG2 4.06Å; F134-F297 AromaticContact CD2-CE2 3.71Å; F134-F297 HydrophobicContact CD2-CE2 3.71Å; F134-F297 AromaticContact CD2-CZ 3.78Å; F134-F297 HydrophobicContact CD2-CZ 3.78Å; F134-F297 AromaticContact CE2-CE2 3.82Å; F134-F297 HydrophobicContact CE2-CE2 3.82Å; F134-F297 AromaticContact CE2-CZ 3.79Å; F134-F297 HydrophobicContact CE2-CZ 3.79Å; F134-V299 HydrophobicContact CD2-CG2 4.13Å; F134-V299 HydrophobicContact CE2-CG2 3.78Å
135G91.9Very high91.3Very high12 Ų1241.8 Ų41.812%0.12421%0.205CC..Hα-helixtrans-60.3-43178.100000112.4V131 E132 R137 L138 K139V131-G135 PolarHBondContact O-N 3.07Å; E132-G135 PolarHBondContact O-N 3.22Å; G135-R137 PolarHBondContact O-N 2.88Å; G135-L138 PolarHBondContact O-N 3.38Å; G135-K139 PolarHBondContact O-N 2.86Å; G135-K139 VanDerWaalsContact O-N 3.1Å
136A92.2Very high91.7Very high60 Ų6041.5 Ų41.550%0.49620%0.204SC..Hα-helixtrans-61.1-43.1178.200000112.7E132 E133 F134E132-A136 WeakPolarHBondContact O-CB 3.27Å; E132-A136 PolarHBondContact O-N 3.34Å; E133-A136 PolarHBondContact O-N 3.03Å; F134-A136 VanDerWaalsContact C-N 3.35Å; F134-A136 PolarHBondContact O-N 2.81Å
137R94.6Very high92.3Very high74 Ų7440.5 Ų40.528%0.27920%0.201SC..Hα-helixtrans-70.2-42.8175.5-69.8-179-175.6-1412.6112.2P120 I123 E133 F134 G135 K139 N140 A141 F297P120-R137 PolarHBondContact O-NH1 3.15Å; P120-R137 PolarHBondContact O-NH2 2.82Å; I123-R137 VanDerWaalsContact CG2-CZ 3.46Å; E133-R137 WeakPolarHBondContact O-CG 3.38Å; E133-R137 PolarHBondContact O-N 2.99Å; E133-R137 IonicContact OE1-CZ 2.73Å; E133-R137 IonicContact OE1-NE 3.54Å; E133-R137 PolarHBondContact OE1-NE 2.97Å; E133-R137 IonicContact OE1-NH2 3.81Å; E133-R137 PolarHBondContact OE1-NH2 3.35Å; F134-R137 PolarHBondContact O-N 3.46Å; G135-R137 PolarHBondContact O-N 2.88Å; R137-K139 VanDerWaalsContact C-N 3.28Å; R137-K139 PolarHBondContact O-N 2.79Å; R137-N140 PolarHBondContact O-N 2.87Å; R137-A141 PolarHBondContact O-N 2.82Å; R137-F297 HydrophobicContact CB-CD1 3.95Å; R137-F297 HydrophobicContact CB-CE1 3.55Å; R137-F297 HydrophobicContact CB-CZ 3.89Å
138L95.8Very high92.8Very high0 Ų040.6 Ų40.60%020%0.204CC..Hα-helixtrans-61.1-38-175.6-177.362.6000111.7F134 G135 N140 A141 I144 V160 V163 I235 G237 F297F134-L138 HydrophobicContact CE1-CD2 3.95Å; F134-L138 HydrophobicContact CE2-CB 4.49Å; F134-L138 HydrophobicContact CE2-CD2 4.35Å; F134-L138 HydrophobicContact CZ-CD2 3.79Å; F134-L138 WeakPolarHBondContact O-CB 3.05Å; F134-L138 PolarHBondContact O-N 3.46Å; G135-L138 PolarHBondContact O-N 3.38Å; L138-N140 PolarHBondContact O-N 2.72Å; L138-A141 HydrophobicContact CD1-CB 4.4Å; L138-A141 WeakPolarHBondContact O-CB 3.36Å; L138-A141 PolarHBondContact O-N 3Å; L138-I144 HydrophobicContact CD1-CD1 4.49Å; L138-I144 HydrophobicContact CD1-CG2 4.27Å; L138-V160 HydrophobicContact CD1-CG1 3.93Å; L138-V160 HydrophobicContact CD2-CB 4.47Å; L138-V160 HydrophobicContact CD2-CG1 3.67Å; L138-V160 HydrophobicContact CD2-CG2 4.04Å; L138-V160 HydrophobicContact CG-CG1 4.37Å; L138-V163 HydrophobicContact CD1-CB 4.23Å; L138-V163 HydrophobicContact CD1-CG1 4.23Å; L138-V163 HydrophobicContact CD1-CG2 4.1Å; L138-I235 VanDerWaalsContact CD2-C 3.43Å; L138-I235 HydrophobicContact CD2-CB 4Å; L138-G237 WeakPolarHBondContact O-CA 3.29Å; L138-F297 HydrophobicContact CB-CZ 4.37Å
139K94.5Very high93.4Very high133 Ų13340.3 Ų40.358%0.57820%0.202SC*.THydrogen-bonded Turntrans-47.4-34.3180-175.1171.3-177.3165.30115G135 R137 T236G135-K139 PolarHBondContact O-N 2.86Å; G135-K139 VanDerWaalsContact O-N 3.1Å; R137-K139 VanDerWaalsContact C-N 3.28Å; R137-K139 PolarHBondContact O-N 2.79Å; K139-T236 WeakPolarHBondContact CA-O 3.46Å
140N93.7Very high93.8Very high125 Ų12538.1 Ų38.167%0.66820%0.196SC*.THydrogen-bonded Turntrans-108-2.4179.4-61.9-57.8000113.3R137 L138R137-N140 PolarHBondContact O-N 2.87Å; L138-N140 PolarHBondContact O-N 2.72Å
141A97.5Very high93.8Very high1 Ų137 Ų371%0.00819%0.191CC..  trans-80.2138.5-17800000111R137 L138 I144 V163 A238 D296 F297R137-A141 PolarHBondContact O-N 2.82Å; L138-A141 HydrophobicContact CD1-CB 4.4Å; L138-A141 WeakPolarHBondContact O-CB 3.36Å; L138-A141 PolarHBondContact O-N 3Å; A141-I144 HydrophobicContact CB-CG2 4.15Å; A141-V163 HydrophobicContact CB-CG2 4.44Å; A141-A238 WeakPolarHBondContact O-CB 3.46Å; A141-A238 PolarHBondContact O-N 3.43Å; A141-D296 WeakPolarHBondContact CA-OD2 3.4Å; A141-D296 HydrophobicContact CB-CB 3.94Å; A141-F297 HydrophobicContact CB-CD1 4.28Å; A141-F297 HydrophobicContact CB-CE1 3.74Å
142R97.5Very high94Very high115 Ų11539.3 Ų39.343%0.43420%0.203SC..SBendtrans-101.8-29.9173.7-60.5178.8-172.1-164.5-0.6111V163 E164 A238 L239 I276 W281 D296R142-V163 VanDerWaalsContact C-CG2 3.42Å; R142-V163 WeakPolarHBondContact O-CG2 3.43Å; R142-E164 WeakPolarHBondContact O-CB 3.42Å; R142-E164 PolarHBondContact O-N 3.37Å; R142-A238 HydrophobicContact CG-CB 4.2Å; R142-L239 HydrophobicContact CB-CD2 3.93Å; R142-L239 HydrophobicContact CB-CG 4.19Å; R142-L239 HydrophobicContact CG-CD2 3.92Å; R142-L239 VanDerWaalsContact O-CD1 3.24Å; R142-L239 WeakPolarHBondContact O-CD1 3.39Å; R142-I276 HydrophobicContact CB-CD1 3.68Å; R142-I276 HydrophobicContact CG-CD1 4.32Å; R142-W281 HydrophobicContact CB-CH2 4.36Å; R142-W281 HydrophobicContact CB-CZ3 4.38Å; R142-D296 PolarHBondContact N-OD2 2.98Å
143R98Very high94.3Very high2 Ų233.9 Ų33.91%0.00818%0.177CC..EExtended strand (participates in β ladder)trans-144134.8177.2-175.7-173.3-72.2170.42111.4E164 I166 E268 L271 I276 W281 G294 C295 D296R143-E164 CarbonylContact C-O 3.58Å; R143-E164 VanDerWaalsContact CA-O 3.23Å; R143-E164 WeakPolarHBondContact CA-O 3.18Å; R143-E164 HydrophobicContact CB-CB 3.92Å; R143-E164 HydrophobicContact CG-CB 3.84Å; R143-E164 IonicContact CZ-OE2 2.9Å; R143-E164 IonicContact NE-OE2 3.7Å; R143-E164 PolarHBondContact NE-OE2 2.87Å; R143-E164 IonicContact NH2-OE2 3.53Å; R143-E164 PolarHBondContact NH2-OE2 2.81Å; R143-I166 HydrophobicContact CG-CD1 4.26Å; R143-E268 IonicContact NH1-OE1 2.83Å; R143-E268 PolarHBondContact NH1-OE1 2.78Å; R143-L271 VanDerWaalsContact NH1-CD1 3.28Å; R143-I276 PolarHBondContact NH2-O 3.44Å; R143-W281 HydrophobicContact CB-CH2 3.41Å; R143-W281 VanDerWaalsContact CB-CH2 3.41Å; R143-W281 HydrophobicContact CB-CZ2 4.21Å; R143-W281 HydrophobicContact CB-CZ3 3.66Å; R143-W281 HydrophobicContact CG-CH2 4.41Å; R143-G294 WeakPolarHBondContact CD-O 3.24Å; R143-G294 PolarHBondContact NH1-O 3.35Å; R143-G294 VanDerWaalsContact NH1-O 3.15Å; R143-C295 HydrophobicContact CB-CB 4.44Å; R143-C295 HydrophobicContact CG-CB 4.06Å; R143-C295 WeakPolarHBondContact O-CB 3.23Å; R143-D296 PolarHBondContact N-OD2 2.71Å; R143-D296 PolarHBondContact O-N 3.48Å
144I98.4Very high94.4Very high0 Ų030 Ų300%016%0.159CC..EExtended strand (participates in β ladder)trans-122.1154.5169.963.6171.6000110.2F134 L138 A141 V146 I156 V163 E164 I165 I166 F297F134-I144 HydrophobicContact CE2-CD1 4.25Å; F134-I144 HydrophobicContact CZ-CD1 4.39Å; L138-I144 HydrophobicContact CD1-CD1 4.49Å; L138-I144 HydrophobicContact CD1-CG2 4.27Å; A141-I144 HydrophobicContact CB-CG2 4.15Å; I144-V146 HydrophobicContact CD1-CG2 3.99Å; I144-V146 HydrophobicContact CG1-CG2 4.45Å; I144-I156 HydrophobicContact CD1-CG2 4.41Å; I144-V163 HydrophobicContact CD1-CG1 4.46Å; I144-V163 HydrophobicContact CG1-CG1 4.33Å; I144-V163 HydrophobicContact CG2-CG2 4.37Å; I144-E164 PolarHBondContact N-O 3.01Å; I144-I165 HydrophobicContact CD1-CG1 4.27Å; I144-I165 HydrophobicContact CG1-CG1 4.06Å; I144-I165 HydrophobicContact CG1-CG2 4.4Å; I144-I166 PolarHBondContact O-N 3.31Å; I144-F297 WeakPolarHBondContact CA-O 3.3Å; I144-F297 HydrophobicContact CG2-CD1 3.99Å; I144-F297 HydrophobicContact CG2-CD2 4.38Å; I144-F297 HydrophobicContact CG2-CE1 3.52Å; I144-F297 HydrophobicContact CG2-CE2 3.95Å; I144-F297 HydrophobicContact CG2-CG 4.4Å; I144-F297 HydrophobicContact CG2-CZ 3.51Å
145V98.5Very high94.3Very high0 Ų030.4 Ų30.40%016%0.161CC..EExtended strand (participates in β ladder)trans-105.6126.8163.8177.30000108.4V147 I166 A168 I285 V293 C295 F297 V298 V299V145-V147 HydrophobicContact CG1-CG2 3.78Å; V145-I166 CarbonylContact C-O 3.58Å; V145-I166 VanDerWaalsContact CA-O 3.26Å; V145-I166 WeakPolarHBondContact CA-O 3.39Å; V145-I166 WeakPolarHBondContact CG1-O 3.43Å; V145-I166 HydrophobicContact CG2-CB 4.17Å; V145-A168 HydrophobicContact CG1-CB 4.36Å; V145-I285 HydrophobicContact CB-CD1 3.84Å; V145-I285 HydrophobicContact CG1-CD1 3.23Å; V145-I285 HydrophobicContact CG2-CD1 3.62Å; V145-I285 HydrophobicContact CG2-CG1 4.21Å; V145-V293 HydrophobicContact CG2-CG1 3.88Å; V145-C295 HydrophobicContact CG2-CB 3.9Å; V145-C295 VanDerWaalsContact CG2-SG 3.58Å; V145-F297 PolarHBondContact N-O 3.45Å; V145-V298 HydrophobicContact CB-CG1 4.3Å; V145-V298 HydrophobicContact CB-CG2 4.38Å; V145-V298 HydrophobicContact CG1-CG1 4.44Å; V145-V298 CarbonylContact O-C 3.51Å; V145-V298 WeakPolarHBondContact O-CA 3.27Å; V145-V299 PolarHBondContact O-N 2.85Å
146V98.2Very high94.2Very high0 Ų029.9 Ų29.90%016%0.155CC..EExtended strand (participates in β ladder)trans-100.2122.7169.6179.80000108.3I144 A153 I156 V157 I165 I166 W167 A168 V299I144-V146 HydrophobicContact CD1-CG2 3.99Å; I144-V146 HydrophobicContact CG1-CG2 4.45Å; V146-A153 HydrophobicContact CG1-CB 3.84Å; V146-I156 HydrophobicContact CG2-CG2 3.7Å; V146-V157 HydrophobicContact CB-CG2 4.33Å; V146-V157 HydrophobicContact CG1-CG2 4.34Å; V146-V157 HydrophobicContact CG2-CG2 4.36Å; V146-I165 HydrophobicContact CB-CG2 4.31Å; V146-I165 HydrophobicContact CG2-CG2 3.74Å; V146-I166 PolarHBondContact N-O 2.91Å; V146-W167 WeakPolarHBondContact O-CA 3.47Å; V146-A168 PolarHBondContact O-N 3.04Å; V146-V299 HydrophobicContact CG2-CB 4.41Å
147V97.9Very high94.3Very high10 Ų1027 Ų276%0.06113%0.132CC..EExtended strand (participates in β ladder)trans-112.4118179.9-174.50000109.2I116 V145 A168 V252 V298 V299 A301 T302I116-V147 HydrophobicContact CD1-CB 4.16Å; I116-V147 HydrophobicContact CD1-CG1 4.22Å; I116-V147 HydrophobicContact CD1-CG2 3.9Å; I116-V147 HydrophobicContact CG2-CG1 4.39Å; V145-V147 HydrophobicContact CG1-CG2 3.78Å; V147-A168 HydrophobicContact CG2-CB 4.35Å; V147-V252 HydrophobicContact CB-CG2 4.42Å; V147-V252 HydrophobicContact CG1-CG2 3.91Å; V147-V252 HydrophobicContact CG2-CG2 3.61Å; V147-V298 HydrophobicContact CG2-CG1 3.67Å; V147-V299 PolarHBondContact N-O 2.76Å; V147-A301 CarbonylContact O-C 3.51Å; V147-A301 VanDerWaalsContact O-C 3.31Å; V147-A301 WeakPolarHBondContact O-CA 3.25Å; V147-A301 PolarHBondContact O-N 3.48Å; V147-T302 HydrophobicContact CB-CG2 4.44Å; V147-T302 HydrophobicContact CG1-CG2 3.87Å; V147-T302 WeakPolarHBondContact O-CG2 3.08Å
148G94.4Very high94Very high10 Ų1023.5 Ų23.510%0.10312%0.118CC..  trans133.8163.8-177.600000111.9A153 W167 A168 A301G148-A153 WeakPolarHBondContact O-CB 3.23Å; G148-W167 PolarHBondContact O-NE1 2.98Å; G148-A168 PolarHBondContact N-O 2.73Å; G148-A301 WeakPolarHBondContact CA-O 3.24Å
149N93.2Very high93.6Very high12 Ų1225.6 Ų25.66%0.06413%0.128CC..  trans-136.423.6-173.7-150.531.3000112.8W167 V169 H171 S173 I174 S175 A176N149-W167 WeakPolarHBondContact OD1-CZ2 3.42Å; N149-V169 HydrophobicContact CB-CB 4.35Å; N149-V169 HydrophobicContact CB-CG1 4.22Å; N149-V169 VanDerWaalsContact OD1-CG1 3.27Å; N149-V169 WeakPolarHBondContact OD1-CG1 3.38Å; N149-H171 PolarHBondContact ND2-ND1 3.37Å; N149-S173 PolarHBondContact ND2-O 3.25Å; N149-I174 WeakPolarHBondContact OD1-CA 3.33Å; N149-S175 VanDerWaalsContact CG-N 3.34Å; N149-S175 CarbonylContact O-C 3.17Å; N149-S175 WeakPolarHBondContact O-CA 3.41Å; N149-S175 PolarHBondContact OD1-N 3.34Å; N149-A176 VanDerWaalsContact ND2-CB 3.25Å; N149-A176 WeakPolarHBondContact ND2-CB 3.36Å; N149-A176 PolarHBondContact ND2-N 3.41Å; N149-A176 VanDerWaalsContact ND2-N 3.11Å
150G90Very high93.5Very high17 Ų1719.3 Ų19.318%0.17510%0.101CC..SBendtrans-98.5-171178.600000112.9I152 A153 T154G150-I152 PolarHBondContact O-N 3.01Å; G150-A153 PolarHBondContact O-N 2.94Å; G150-T154 PolarHBondContact O-N 2.86Å; G150-T154 PolarHBondContact O-OG1 3.11Å
151G88.4Confident93.4Very high8 Ų814.9 Ų14.98%0.0828%0.08CC..Hα-helixtrans-53.9-55.2-179.200000112.6A153 T154 E155G151-A153 VanDerWaalsContact C-N 3.3Å; G151-A153 PolarHBondContact O-N 3.41Å; G151-T154 CarbonylContact O-C 3.6Å; G151-T154 WeakPolarHBondContact O-CA 3.37Å; G151-T154 WeakPolarHBondContact O-CB 3.36Å; G151-T154 PolarHBondContact O-N 2.96Å; G151-E155 WeakPolarHBondContact O-CB 3.37Å; G151-E155 WeakPolarHBondContact O-CG 3.4Å; G151-E155 PolarHBondContact O-N 2.75Å
152I89.3Confident93.3Very high50 Ų5016.8 Ų16.826%0.2569%0.09SC..Hα-helixtrans-53.5-45.5179-62.3170.1000112.1I125 G150 T154 I156 A301I125-I152 HydrophobicContact CB-CG2 4.41Å; G150-I152 PolarHBondContact O-N 3.01Å; I152-T154 PolarHBondContact O-N 2.93Å; I152-I156 HydrophobicContact CG2-CD1 3.67Å; I152-I156 HydrophobicContact CG2-CG1 4.46Å; I152-I156 WeakPolarHBondContact O-CB 3.01Å; I152-I156 VanDerWaalsContact O-CD1 3.31Å; I152-I156 WeakPolarHBondContact O-CD1 3.33Å; I152-I156 WeakPolarHBondContact O-CG1 3.46Å; I152-I156 PolarHBondContact O-N 3.33Å; I152-A301 HydrophobicContact CB-CB 4.37Å; I152-A301 HydrophobicContact CG2-CB 4Å
153A93Very high93.2Very high0 Ų011.3 Ų11.30%07%0.069CC..Hα-helixtrans-64.3-42.7179.100000111.6V146 G148 G150 G151 I156 V157 W167 A301V146-A153 HydrophobicContact CG1-CB 3.84Å; G148-A153 WeakPolarHBondContact O-CB 3.23Å; G150-A153 PolarHBondContact O-N 2.94Å; G151-A153 VanDerWaalsContact C-N 3.3Å; G151-A153 PolarHBondContact O-N 3.41Å; A153-I156 PolarHBondContact O-N 3.09Å; A153-V157 WeakPolarHBondContact O-CB 3.4Å; A153-V157 WeakPolarHBondContact O-CG2 3.37Å; A153-V157 PolarHBondContact O-N 2.91Å; A153-W167 HydrophobicContact CB-CZ2 4.44Å; A153-A301 HydrophobicContact CB-CB 3.78Å
154T92.3Very high93.2Very high0 Ų011.2 Ų11.20%07%0.069CC..Hα-helixtrans-65.4-45.6-180-52.90000111.1G150 G151 I152 V157 G158 W167 S175 F400 F401G150-T154 PolarHBondContact O-N 2.86Å; G150-T154 PolarHBondContact O-OG1 3.11Å; G151-T154 CarbonylContact O-C 3.6Å; G151-T154 WeakPolarHBondContact O-CA 3.37Å; G151-T154 WeakPolarHBondContact O-CB 3.36Å; G151-T154 PolarHBondContact O-N 2.96Å; I152-T154 PolarHBondContact O-N 2.93Å; T154-V157 PolarHBondContact O-N 2.96Å; T154-G158 PolarHBondContact O-N 3.44Å; T154-W167 HydrophobicContact CG2-CH2 4.49Å; T154-S175 WeakPolarHBondContact CB-OG 3.31Å; T154-S175 WeakPolarHBondContact CG2-OG 3.15Å; T154-S175 WeakPolarHBondContact OG1-CB 3.15Å; T154-S175 PolarHBondContact OG1-OG 3.38Å; T154-F400 HydrophobicContact CG2-CB 4.02Å; T154-F400 HydrophobicContact CG2-CD1 3.62Å; T154-F400 HydrophobicContact CG2-CD2 3.94Å; T154-F400 HydrophobicContact CG2-CE1 4.07Å; T154-F400 HydrophobicContact CG2-CE2 4.33Å; T154-F400 HydrophobicContact CG2-CG 3.59Å; T154-F400 HydrophobicContact CG2-CZ 4.41Å; T154-F401 HydrophobicContact CG2-CD2 4.48Å; T154-F401 HydrophobicContact CG2-CE2 3.61Å; T154-F401 HydrophobicContact CG2-CZ 4.04Å
155E90Very high93.2Very high9 Ų911.2 Ų11.24%0.0427%0.069CC..Hα-helixtrans-58.8-49.5175.7-75.1159.9-156.100110.9G151 V157 G158 E159 W229 I230 F400G151-E155 WeakPolarHBondContact O-CB 3.37Å; G151-E155 WeakPolarHBondContact O-CG 3.4Å; G151-E155 PolarHBondContact O-N 2.75Å; E155-V157 VanDerWaalsContact C-N 3.34Å; E155-V157 PolarHBondContact O-N 2.93Å; E155-G158 PolarHBondContact O-N 3.26Å; E155-E159 WeakPolarHBondContact O-CB 3.14Å; E155-E159 WeakPolarHBondContact O-CG 3.44Å; E155-E159 PolarHBondContact O-N 3.18Å; E155-W229 HydrophobicContact CB-CZ2 4.09Å; E155-W229 PolarHBondContact OE2-NE1 3.05Å; E155-I230 HydrophobicContact CB-CD1 4.1Å; E155-F400 HydrophobicContact CG-CD1 4.04Å; E155-F400 HydrophobicContact CG-CE1 3.93Å
156I91.5Very high93.1Very high1 Ų111.2 Ų11.21%0.0057%0.069CC..Hα-helixtrans-59-46.8177.5-69.8165000111.3I125 F134 I144 V146 I152 A153 G158 E159 V160 W229 V299I125-I156 HydrophobicContact CD1-CD1 3.7Å; F134-I156 HydrophobicContact CZ-CG2 4.02Å; I144-I156 HydrophobicContact CD1-CG2 4.41Å; V146-I156 HydrophobicContact CG2-CG2 3.7Å; I152-I156 HydrophobicContact CG2-CD1 3.67Å; I152-I156 HydrophobicContact CG2-CG1 4.46Å; I152-I156 WeakPolarHBondContact O-CB 3.01Å; I152-I156 VanDerWaalsContact O-CD1 3.31Å; I152-I156 WeakPolarHBondContact O-CD1 3.33Å; I152-I156 WeakPolarHBondContact O-CG1 3.46Å; I152-I156 PolarHBondContact O-N 3.33Å; A153-I156 PolarHBondContact O-N 3.09Å; I156-G158 VanDerWaalsContact C-N 3.31Å; I156-G158 PolarHBondContact O-N 2.84Å; I156-E159 PolarHBondContact O-N 3.48Å; I156-V160 HydrophobicContact CG2-CG2 3.84Å; I156-V160 VanDerWaalsContact O-CB 3.27Å; I156-V160 WeakPolarHBondContact O-CB 3.3Å; I156-V160 WeakPolarHBondContact O-CG2 3.18Å; I156-V160 PolarHBondContact O-N 2.87Å; I156-W229 HydrophobicContact CG1-CH2 3.79Å; I156-W229 HydrophobicContact CG1-CZ2 4.06Å; I156-V299 HydrophobicContact CD1-CG1 3.84Å
157V93Very high93.1Very high0 Ų011.2 Ų11.20%07%0.069CC..Hα-helixtrans-64.6-38.1-179.7171.60000111.5V146 A153 T154 E155 I165 W167 L191 V244V146-V157 HydrophobicContact CB-CG2 4.33Å; V146-V157 HydrophobicContact CG1-CG2 4.34Å; V146-V157 HydrophobicContact CG2-CG2 4.36Å; A153-V157 WeakPolarHBondContact O-CB 3.4Å; A153-V157 WeakPolarHBondContact O-CG2 3.37Å; A153-V157 PolarHBondContact O-N 2.91Å; T154-V157 PolarHBondContact O-N 2.96Å; E155-V157 VanDerWaalsContact C-N 3.34Å; E155-V157 PolarHBondContact O-N 2.93Å; V157-I165 HydrophobicContact CG2-CG2 4.02Å; V157-W167 HydrophobicContact CB-CD2 4.47Å; V157-W167 HydrophobicContact CB-CE3 4.21Å; V157-W167 HydrophobicContact CB-CZ3 4.34Å; V157-W167 HydrophobicContact CG1-CD2 4.41Å; V157-W167 HydrophobicContact CG1-CE3 3.77Å; V157-W167 HydrophobicContact CG1-CZ3 3.98Å; V157-W167 HydrophobicContact CG2-CB 4.21Å; V157-W167 HydrophobicContact CG2-CD2 3.66Å; V157-W167 HydrophobicContact CG2-CE3 3.88Å; V157-W167 HydrophobicContact CG2-CG 3.82Å; V157-W167 HydrophobicContact CG2-CZ3 4.38Å; V157-L191 HydrophobicContact CG1-CD2 3.85Å; V157-V244 HydrophobicContact CG1-CG1 3.8Å; V157-V244 HydrophobicContact CG1-CG2 4.11Å
158G89.6Confident93Very high0 Ų010.9 Ų10.90%07%0.067CC..Hα-helixtrans-75.1-30-179.600000114.5T154 E155 I156 R242T154-G158 PolarHBondContact O-N 3.44Å; E155-G158 PolarHBondContact O-N 3.26Å; I156-G158 VanDerWaalsContact C-N 3.31Å; I156-G158 PolarHBondContact O-N 2.84Å; G158-R242 PolarHBondContact O-NH1 2.76Å; G158-R242 PolarHBondContact O-NH2 3.01Å
159E87.3Confident93.1Very high45 Ų4510.4 Ų10.421%0.216%0.062CC..Hα-helixtrans-112.9-27.7-164.7-61.1-59.3143.900114.7E155 I156 S161 N195 I230 I235E155-E159 WeakPolarHBondContact O-CB 3.14Å; E155-E159 WeakPolarHBondContact O-CG 3.44Å; E155-E159 PolarHBondContact O-N 3.18Å; I156-E159 PolarHBondContact O-N 3.48Å; E159-S161 PolarHBondContact O-N 3.25Å; E159-N195 PolarHBondContact OE1-ND2 2.86Å; E159-N195 PolarHBondContact OE2-ND2 3.22Å; E159-I230 HydrophobicContact CB-CD1 4.05Å; E159-I230 HydrophobicContact CB-CG1 3.86Å; E159-I230 HydrophobicContact CB-CG2 3.94Å; E159-I230 HydrophobicContact CG-CD1 3.6Å; E159-I230 HydrophobicContact CG-CG1 3.96Å; E159-I230 HydrophobicContact CG-CG2 4.22Å; E159-I235 HydrophobicContact CB-CD1 3.71Å; E159-I235 WeakPolarHBondContact O-CD1 3.41Å
160V91.2Very high93.1Very high0 Ų017 Ų170%09%0.091CC..  trans-62.5138.1176.5170.40000109.7F134 L138 I156 V163 I165 I235 R242F134-V160 HydrophobicContact CE1-CG2 3.87Å; F134-V160 HydrophobicContact CZ-CG2 3.63Å; L138-V160 HydrophobicContact CD1-CG1 3.93Å; L138-V160 HydrophobicContact CD2-CB 4.47Å; L138-V160 HydrophobicContact CD2-CG1 3.67Å; L138-V160 HydrophobicContact CD2-CG2 4.04Å; L138-V160 HydrophobicContact CG-CG1 4.37Å; I156-V160 HydrophobicContact CG2-CG2 3.84Å; I156-V160 VanDerWaalsContact O-CB 3.27Å; I156-V160 WeakPolarHBondContact O-CB 3.3Å; I156-V160 WeakPolarHBondContact O-CG2 3.18Å; I156-V160 PolarHBondContact O-N 2.87Å; V160-V163 HydrophobicContact CG1-CB 4.37Å; V160-V163 HydrophobicContact CG1-CG1 3.4Å; V160-I165 HydrophobicContact CB-CD1 4.13Å; V160-I165 HydrophobicContact CG1-CD1 4.34Å; V160-I235 WeakPolarHBondContact CA-O 3.46Å; V160-I235 HydrophobicContact CG2-CB 4.37Å; V160-I235 HydrophobicContact CG2-CD1 4.4Å; V160-R242 VanDerWaalsContact O-CD 3.23Å; V160-R242 WeakPolarHBondContact O-CD 3.44Å; V160-R242 PolarHBondContact O-NH1 2.97Å
161S91.8Very high93.2Very high32 Ų3220.7 Ų20.722%0.22410%0.103CC..BIsolated β-bridgetrans-111.2161.3177.848.20000111.1E159 V163 I235 T236 G237E159-S161 PolarHBondContact O-N 3.25Å; S161-V163 VanDerWaalsContact C-N 3.32Å; S161-V163 PolarHBondContact O-N 3.43Å; S161-I235 PolarHBondContact N-O 3.3Å; S161-I235 PolarHBondContact OG-O 3.31Å; S161-T236 WeakPolarHBondContact OG-CA 3.47Å; S161-T236 WeakPolarHBondContact OG-CB 3.36Å; S161-T236 PolarHBondContact OG-OG1 2.8Å; S161-G237 PolarHBondContact O-N 2.96Å
162N95Very high93.3Very high41 Ų4127.4 Ų27.422%0.21913%0.132CC..SBendtrans59.534.8163.9-67.110.4000115.6T236 G237 A238 L239 E240N162-T236 HydrophobicContact CB-CG2 3.68Å; N162-T236 WeakPolarHBondContact ND2-CG2 3.13Å; N162-G237 WeakPolarHBondContact CB-O 3.42Å; N162-G237 CarbonylContact O-C 3.45Å; N162-G237 WeakPolarHBondContact O-CA 3.4Å; N162-A238 PolarHBondContact O-N 2.87Å; N162-L239 WeakPolarHBondContact CB-O 3.38Å; N162-L239 VanDerWaalsContact CG-O 3.31Å; N162-L239 PolarHBondContact ND2-O 3.15Å; N162-L239 WeakPolarHBondContact O-CA 3.35Å; N162-L239 WeakPolarHBondContact O-CB 3.33Å; N162-L239 PolarHBondContact O-N 2.93Å; N162-E240 PolarHBondContact OD1-O 2.68Å
163V96.4Very high93.3Very high0 Ų026 Ų260%013%0.127CC..SBendtrans-145.6154.7177.481.70000110.6L138 A141 R142 I144 V160 S161 I165 R242 R243L138-V163 HydrophobicContact CD1-CB 4.23Å; L138-V163 HydrophobicContact CD1-CG1 4.23Å; L138-V163 HydrophobicContact CD1-CG2 4.1Å; A141-V163 HydrophobicContact CB-CG2 4.44Å; R142-V163 VanDerWaalsContact C-CG2 3.42Å; R142-V163 WeakPolarHBondContact O-CG2 3.43Å; I144-V163 HydrophobicContact CD1-CG1 4.46Å; I144-V163 HydrophobicContact CG1-CG1 4.33Å; I144-V163 HydrophobicContact CG2-CG2 4.37Å; V160-V163 HydrophobicContact CG1-CB 4.37Å; V160-V163 HydrophobicContact CG1-CG1 3.4Å; S161-V163 VanDerWaalsContact C-N 3.32Å; S161-V163 PolarHBondContact O-N 3.43Å; V163-I165 HydrophobicContact CG1-CD1 4.11Å; V163-I165 HydrophobicContact CG1-CG1 3.57Å; V163-R242 VanDerWaalsContact O-CA 3.29Å; V163-R242 WeakPolarHBondContact O-CA 3.48Å; V163-R243 PolarHBondContact O-N 2.67Å; V163-R243 VanDerWaalsContact O-N 3.08Å
164E97.4Very high93.2Very high0 Ų026 Ų260%013%0.127CC..EExtended strand (participates in β ladder)trans-78.6130.9162.5-76.9168-165.500110.2R142 R143 I144 L239 R243 F275 I276R142-E164 WeakPolarHBondContact O-CB 3.42Å; R142-E164 PolarHBondContact O-N 3.37Å; R143-E164 CarbonylContact C-O 3.58Å; R143-E164 VanDerWaalsContact CA-O 3.23Å; R143-E164 WeakPolarHBondContact CA-O 3.18Å; R143-E164 HydrophobicContact CB-CB 3.92Å; R143-E164 HydrophobicContact CG-CB 3.84Å; R143-E164 IonicContact CZ-OE2 2.9Å; R143-E164 IonicContact NE-OE2 3.7Å; R143-E164 PolarHBondContact NE-OE2 2.87Å; R143-E164 IonicContact NH2-OE2 3.53Å; R143-E164 PolarHBondContact NH2-OE2 2.81Å; I144-E164 PolarHBondContact N-O 3.01Å; E164-L239 HydrophobicContact CB-CD1 4.49Å; E164-L239 HydrophobicContact CG-CD1 3.85Å; E164-R243 CarbonylContact C-O 3.6Å; E164-R243 WeakPolarHBondContact CA-O 3.47Å; E164-R243 HydrophobicContact CG-CB 4.24Å; E164-R243 IonicContact OE1-CZ 2.71Å; E164-R243 IonicContact OE1-NE 3.11Å; E164-R243 PolarHBondContact OE1-NE 2.88Å; E164-R243 IonicContact OE1-NH2 2.7Å; E164-R243 PolarHBondContact OE1-NH2 2.95Å; E164-F275 HydrophobicContact CB-CD1 3.91Å; E164-F275 HydrophobicContact CB-CE1 3.7Å; E164-F275 HydrophobicContact CB-CZ 4.49Å; E164-F275 VanDerWaalsContact CD-CD1 3.45Å; E164-F275 HydrophobicContact CG-CD1 3.67Å; E164-F275 HydrophobicContact CG-CE1 3.77Å; E164-F275 HydrophobicContact CG-CG 4.17Å; E164-F275 HydrophobicContact CG-CZ 4.35Å; E164-F275 VanDerWaalsContact OE1-CA 3.25Å; E164-F275 WeakPolarHBondContact OE1-CA 3.4Å; E164-F275 WeakPolarHBondContact OE2-CD1 3.42Å; E164-I276 WeakPolarHBondContact OE1-CG2 3.43Å; E164-I276 PolarHBondContact OE1-N 2.92Å; E164-I276 PolarHBondContact OE2-N 3.41Å
165I97.9Very high93Very high0 Ų026 Ų260%013%0.127CC..EExtended strand (participates in β ladder)trans-118.2123176.4-53.1-179.9000107.9I144 V146 V157 V160 V163 R242 R243 V244 H245I144-I165 HydrophobicContact CD1-CG1 4.27Å; I144-I165 HydrophobicContact CG1-CG1 4.06Å; I144-I165 HydrophobicContact CG1-CG2 4.4Å; V146-I165 HydrophobicContact CB-CG2 4.31Å; V146-I165 HydrophobicContact CG2-CG2 3.74Å; V157-I165 HydrophobicContact CG2-CG2 4.02Å; V160-I165 HydrophobicContact CB-CD1 4.13Å; V160-I165 HydrophobicContact CG1-CD1 4.34Å; V163-I165 HydrophobicContact CG1-CD1 4.11Å; V163-I165 HydrophobicContact CG1-CG1 3.57Å; I165-R242 HydrophobicContact CD1-CG 4.44Å; I165-R243 PolarHBondContact N-O 3.26Å; I165-V244 HydrophobicContact CB-CG2 4.32Å; I165-V244 HydrophobicContact CD1-CG2 4.44Å; I165-V244 WeakPolarHBondContact O-CA 3.3Å; I165-H245 PolarHBondContact O-N 3.45Å
166I97.4Very high92.7Very high0 Ų026.4 Ų26.40%013%0.131CC..EExtended strand (participates in β ladder)trans-103.9109.3167.3-63.9167.5000107.1R143 I144 V145 V146 H245 E247 L271 F275 V293R143-I166 HydrophobicContact CG-CD1 4.26Å; I144-I166 PolarHBondContact O-N 3.31Å; V145-I166 CarbonylContact C-O 3.58Å; V145-I166 VanDerWaalsContact CA-O 3.26Å; V145-I166 WeakPolarHBondContact CA-O 3.39Å; V145-I166 WeakPolarHBondContact CG1-O 3.43Å; V145-I166 HydrophobicContact CG2-CB 4.17Å; V146-I166 PolarHBondContact N-O 2.91Å; I166-H245 CarbonylContact C-O 3.54Å; I166-H245 WeakPolarHBondContact CA-O 3.44Å; I166-H245 HydrophobicContact CG1-CB 4.48Å; I166-E247 HydrophobicContact CG2-CG 4.02Å; I166-L271 HydrophobicContact CD1-CD1 3.57Å; I166-L271 HydrophobicContact CD1-CD2 3.75Å; I166-L271 HydrophobicContact CD1-CG 4.33Å; I166-L271 HydrophobicContact CG1-CD2 4.4Å; I166-F275 HydrophobicContact CD1-CE1 4.46Å; I166-F275 HydrophobicContact CG1-CE1 3.98Å; I166-V293 HydrophobicContact CB-CG1 4.37Å; I166-V293 HydrophobicContact CD1-CB 4.45Å; I166-V293 HydrophobicContact CD1-CG1 3.16Å; I166-V293 HydrophobicContact CG1-CG1 4.33Å; I166-V293 HydrophobicContact CG2-CG1 4.23Å; I166-V293 HydrophobicContact CG2-CG2 4.5Å
167W97.5Very high92.2Very high0 Ų028.4 Ų28.40%015%0.148CC..EExtended strand (participates in β ladder)trans-95.8103-175.2-171.312.2000110.1V146 G148 N149 A153 T154 V157 V169 I174 L191 H245 I246 E247V146-W167 WeakPolarHBondContact O-CA 3.47Å; G148-W167 PolarHBondContact O-NE1 2.98Å; N149-W167 WeakPolarHBondContact OD1-CZ2 3.42Å; A153-W167 HydrophobicContact CB-CZ2 4.44Å; T154-W167 HydrophobicContact CG2-CH2 4.49Å; V157-W167 HydrophobicContact CB-CD2 4.47Å; V157-W167 HydrophobicContact CB-CE3 4.21Å; V157-W167 HydrophobicContact CB-CZ3 4.34Å; V157-W167 HydrophobicContact CG1-CD2 4.41Å; V157-W167 HydrophobicContact CG1-CE3 3.77Å; V157-W167 HydrophobicContact CG1-CZ3 3.98Å; V157-W167 HydrophobicContact CG2-CB 4.21Å; V157-W167 HydrophobicContact CG2-CD2 3.66Å; V157-W167 HydrophobicContact CG2-CE3 3.88Å; V157-W167 HydrophobicContact CG2-CG 3.82Å; V157-W167 HydrophobicContact CG2-CZ3 4.38Å; W167-V169 HydrophobicContact CD2-CG1 3.93Å; W167-V169 HydrophobicContact CG-CG1 3.93Å; W167-V169 HydrophobicContact CZ2-CG1 4.25Å; W167-V169 VanDerWaalsContact NE1-CG1 3.29Å; W167-I174 HydrophobicContact CD2-CG2 4.39Å; W167-I174 HydrophobicContact CE3-CB 4.29Å; W167-I174 HydrophobicContact CE3-CG2 3.65Å; W167-I174 HydrophobicContact CH2-CB 3.48Å; W167-I174 VanDerWaalsContact CH2-CB 3.48Å; W167-I174 HydrophobicContact CH2-CD1 4.24Å; W167-I174 HydrophobicContact CH2-CG1 4.4Å; W167-I174 HydrophobicContact CH2-CG2 3.8Å; W167-I174 HydrophobicContact CZ2-CB 4.26Å; W167-I174 HydrophobicContact CZ2-CG2 4.45Å; W167-I174 HydrophobicContact CZ3-CB 3.48Å; W167-I174 VanDerWaalsContact CZ3-CB 3.48Å; W167-I174 HydrophobicContact CZ3-CD1 3.83Å; W167-I174 HydrophobicContact CZ3-CG1 4.27Å; W167-I174 HydrophobicContact CZ3-CG2 3.33Å; W167-L191 HydrophobicContact CZ3-CD2 4.24Å; W167-H245 PolarHBondContact N-O 3.37Å; W167-I246 HydrophobicContact CB-CG1 4.31Å; W167-I246 HydrophobicContact CE3-CD1 4.24Å; W167-I246 HydrophobicContact CE3-CG1 4.11Å; W167-I246 WeakPolarHBondContact O-CA 3.35Å; W167-E247 PolarHBondContact O-N 2.84Å
168A97.3Very high91.7Very high3 Ų329 Ų293%0.02515%0.151CC..EExtended strand (participates in β ladder)trans-88.7113.2179.100000110.6V145 V146 V147 G148 L287V145-A168 HydrophobicContact CG1-CB 4.36Å; V146-A168 PolarHBondContact O-N 3.04Å; V147-A168 HydrophobicContact CG2-CB 4.35Å; G148-A168 PolarHBondContact N-O 2.73Å; A168-L287 HydrophobicContact CB-CD2 4.07Å
169V95.7Very high91.4Very high1 Ų129 Ų291%0.00615%0.151CC..  trans-122.6139.4-177.8-56.30000111.6N149 W167 H171 I246 E247 Y248 K249 C250N149-V169 HydrophobicContact CB-CB 4.35Å; N149-V169 HydrophobicContact CB-CG1 4.22Å; N149-V169 VanDerWaalsContact OD1-CG1 3.27Å; N149-V169 WeakPolarHBondContact OD1-CG1 3.38Å; W167-V169 HydrophobicContact CD2-CG1 3.93Å; W167-V169 HydrophobicContact CG-CG1 3.93Å; W167-V169 HydrophobicContact CZ2-CG1 4.25Å; W167-V169 VanDerWaalsContact NE1-CG1 3.29Å; V169-H171 VanDerWaalsContact C-N 3.28Å; V169-H171 PolarHBondContact O-N 3.43Å; V169-I246 HydrophobicContact CG2-CG2 4.02Å; V169-E247 PolarHBondContact N-O 3.34Å; V169-Y248 HydrophobicContact CG2-CD1 3.53Å; V169-Y248 HydrophobicContact CG2-CE1 4.11Å; V169-Y248 HydrophobicContact CG2-CG 4.17Å; V169-Y248 CarbonylContact O-C 3.53Å; V169-K249 PolarHBondContact O-N 3.33Å; V169-C250 CarbonylContact C-O 3.56Å; V169-C250 PolarHBondContact O-N 3.39Å
170K93.4Very high91.2Very high151 Ų15128.8 Ų28.866%0.65715%0.151SC*.SBendtrans-75.2-15.5177.6-71.9-176.4176.2-176.90113.9C250 A251K170-C250 WeakPolarHBondContact CA-O 3.47Å; K170-C250 VanDerWaalsContact CG-O 3.28Å; K170-C250 WeakPolarHBondContact CG-O 3.27Å; K170-C250 PolarHBondContact N-O 2.87Å; K170-A251 HydrophobicContact CG-CB 4.34Å
171H92.3Very high90.8Very high94 Ų9432 Ų3244%0.43518%0.177SC..SBendtrans-103174-169.2-56.186.5000111.5N149 V169 S173 A176 K249N149-H171 PolarHBondContact ND2-ND1 3.37Å; V169-H171 VanDerWaalsContact C-N 3.28Å; V169-H171 PolarHBondContact O-N 3.43Å; H171-S173 VanDerWaalsContact C-N 3.32Å; H171-A176 HydrophobicContact CB-CB 3.91Å; H171-K249 PolarHBondContact O-N 3.06Å
172E89.5Confident90.3Very high148 Ų14831.9 Ų31.969%0.69218%0.182SC*.SBendtrans-80.6-16.7175.2-39.8-157.7133.800112.7Y248 K249E172-Y248 WeakPolarHBondContact O-CD1 3.46Å; E172-K249 VanDerWaalsContact CD-CE 3.46Å; E172-K249 WeakPolarHBondContact OE1-CE 3.22Å; E172-K249 IonicContact OE1-NZ 2.75Å; E172-K249 PolarHBondContact OE1-NZ 3.41Å
173S90Very high89.8Confident21 Ų2130 Ų3015%0.14717%0.171CC..SBendtrans-130.5158179.3630000111.4N149 H171N149-S173 PolarHBondContact ND2-O 3.25Å; H171-S173 VanDerWaalsContact C-N 3.32Å
174I90.6Very high89.5Confident0 Ų030.1 Ų30.10%017%0.173CC..THydrogen-bonded Turntrans-75.9155.9173.559164.1000111.2N149 W167 A176 A184 F187 L188 L191 I246 Y248N149-I174 WeakPolarHBondContact OD1-CA 3.33Å; W167-I174 HydrophobicContact CD2-CG2 4.39Å; W167-I174 HydrophobicContact CE3-CB 4.29Å; W167-I174 HydrophobicContact CE3-CG2 3.65Å; W167-I174 HydrophobicContact CH2-CB 3.48Å; W167-I174 VanDerWaalsContact CH2-CB 3.48Å; W167-I174 HydrophobicContact CH2-CD1 4.24Å; W167-I174 HydrophobicContact CH2-CG1 4.4Å; W167-I174 HydrophobicContact CH2-CG2 3.8Å; W167-I174 HydrophobicContact CZ2-CB 4.26Å; W167-I174 HydrophobicContact CZ2-CG2 4.45Å; W167-I174 HydrophobicContact CZ3-CB 3.48Å; W167-I174 VanDerWaalsContact CZ3-CB 3.48Å; W167-I174 HydrophobicContact CZ3-CD1 3.83Å; W167-I174 HydrophobicContact CZ3-CG1 4.27Å; W167-I174 HydrophobicContact CZ3-CG2 3.33Å; I174-A176 PolarHBondContact O-N 2.86Å; I174-A184 HydrophobicContact CG1-CB 3.72Å; I174-A184 WeakPolarHBondContact O-CB 3.39Å; I174-F187 HydrophobicContact CD1-CB 4.35Å; I174-L188 HydrophobicContact CD1-CD2 3.75Å; I174-L188 HydrophobicContact CG1-CD2 4.21Å; I174-L191 HydrophobicContact CD1-CD2 4.33Å; I174-I246 HydrophobicContact CG2-CD1 3.67Å; I174-I246 HydrophobicContact CG2-CG1 4.44Å; I174-I246 HydrophobicContact CG2-CG2 4.1Å; I174-Y248 HydrophobicContact CG2-CE1 4Å
175S88Confident89Confident0 Ų036 Ų360%020%0.2CC..THydrogen-bonded Turntrans56.125.9173.7-51.60000114.1N149 T154 A177 F178 V179N149-S175 VanDerWaalsContact CG-N 3.34Å; N149-S175 CarbonylContact O-C 3.17Å; N149-S175 WeakPolarHBondContact O-CA 3.41Å; N149-S175 PolarHBondContact OD1-N 3.34Å; T154-S175 WeakPolarHBondContact CB-OG 3.31Å; T154-S175 WeakPolarHBondContact CG2-OG 3.15Å; T154-S175 WeakPolarHBondContact OG1-CB 3.15Å; T154-S175 PolarHBondContact OG1-OG 3.38Å; S175-A177 PolarHBondContact O-N 3.3Å; S175-F178 PolarHBondContact O-N 2.88Å; S175-V179 WeakPolarHBondContact O-CG2 3.46Å; S175-V179 PolarHBondContact O-N 2.8Å
176A84.9Confident88.6Confident17 Ų1736.8 Ų36.814%0.1420%0.204CC..THydrogen-bonded Turntrans-61.4-16.1-169.300000114.9N149 H171 I174 F178 V179 N412N149-A176 VanDerWaalsContact ND2-CB 3.25Å; N149-A176 WeakPolarHBondContact ND2-CB 3.36Å; N149-A176 PolarHBondContact ND2-N 3.41Å; N149-A176 VanDerWaalsContact ND2-N 3.11Å; H171-A176 HydrophobicContact CB-CB 3.91Å; I174-A176 PolarHBondContact O-N 2.86Å; A176-F178 VanDerWaalsContact C-N 3.3Å; A176-V179 VanDerWaalsContact CA-O 3.27Å; A176-V179 WeakPolarHBondContact CA-O 3.26Å; A176-N412 PolarHBondContact O-ND2 3.18Å
177A80.1Confident88.2Confident44 Ų4436.8 Ų36.836%0.36420%0.204SC..THydrogen-bonded Turntrans-74.4-21.2173.300000113.2S175S175-A177 PolarHBondContact O-N 3.3Å
178F81.5Confident87.7Confident13 Ų1339.1 Ų39.16%0.05722%0.216CC..THydrogen-bonded Turntrans-118.3-32.3-175.2-72.5-105.8000111.9S175 A176 M359 L361 F400 L407 F411S175-F178 PolarHBondContact O-N 2.88Å; A176-F178 VanDerWaalsContact C-N 3.3Å; F178-M359 HydrophobicContact CE1-CE 4.16Å; F178-M359 HydrophobicContact CE2-CE 3.97Å; F178-M359 HydrophobicContact CZ-CE 3.77Å; F178-L361 HydrophobicContact CE1-CD2 4.37Å; F178-L361 HydrophobicContact CZ-CD2 4.06Å; F178-F400 HydrophobicContact CB-CE2 3.91Å; F178-F400 HydrophobicContact CB-CZ 4.33Å; F178-F400 HydrophobicContact CD1-CE2 4.33Å; F178-F400 HydrophobicContact CD1-CZ 4.06Å; F178-F400 HydrophobicContact CG-CE2 4.16Å; F178-F400 HydrophobicContact CG-CZ 4.07Å; F178-L407 HydrophobicContact CB-CD1 4.05Å; F178-L407 HydrophobicContact CD1-CD1 3.37Å; F178-L407 HydrophobicContact CE1-CD1 4.13Å; F178-L407 HydrophobicContact CG-CD1 4.05Å; F178-L407 VanDerWaalsContact O-CD2 3.23Å; F178-L407 WeakPolarHBondContact O-CD2 3.49Å; F178-F411 VanDerWaalsContact O-CD2 3.3Å; F178-F411 WeakPolarHBondContact O-CD2 3.43Å; F178-F411 VanDerWaalsContact O-CE2 3.24Å; F178-F411 WeakPolarHBondContact O-CE2 3.39Å
179V84.2Confident87.3Confident0 Ų043.3 Ų43.30%024%0.243CC..  trans-136156.5-175.1-63.20000112S175 A176 A183 F187 V446 I448S175-V179 WeakPolarHBondContact O-CG2 3.46Å; S175-V179 PolarHBondContact O-N 2.8Å; A176-V179 VanDerWaalsContact CA-O 3.27Å; A176-V179 WeakPolarHBondContact CA-O 3.26Å; V179-A183 HydrophobicContact CB-CB 3.59Å; V179-A183 HydrophobicContact CG1-CB 3.95Å; V179-A183 HydrophobicContact CG2-CB 4.28Å; V179-F187 HydrophobicContact CG1-CE2 4.24Å; V179-F187 HydrophobicContact CG2-CE2 4.39Å; V179-V446 HydrophobicContact CG1-CG1 3.97Å; V179-I448 HydrophobicContact CG1-CD1 4.49Å
180D82.6Confident86.9Confident40 Ų4045.1 Ų45.121%0.21425%0.25CS..  trans-85.1-176.8175.166-3.7000111.9G182 A183 A184 Y432 K434D180-G182 VanDerWaalsContact C-N 3.25Å; D180-G182 PolarHBondContact O-N 3.07Å; D180-G182 PolarHBondContact OD1-N 3.24Å; D180-A183 PolarHBondContact O-N 3.4Å; D180-A183 PolarHBondContact OD1-N 2.96Å; D180-A184 VanDerWaalsContact O-CB 3.23Å; D180-A184 WeakPolarHBondContact O-CB 2.99Å; D180-A184 PolarHBondContact O-N 3.16Å; D180-Y432 PolarHBondContact OD1-OH 3.42Å; D180-K434 IonicContact OD1-NZ 2.79Å; D180-K434 WeakPolarHBondContact OD2-CD 3.45Å; D180-K434 WeakPolarHBondContact OD2-CE 3.29Å; D180-K434 IonicContact OD2-NZ 3.78Å; D180-K434 PolarHBondContact OD2-NZ 3.26Å
181A82.5Confident86.5Confident66 Ų6638.5 Ų38.555%0.54522%0.222SC..Hα-helixtrans-61.5-32178.800000113.2Q185A181-Q185 WeakPolarHBondContact O-CB 3.48Å; A181-Q185 PolarHBondContact O-N 3.34Å
182G82.4Confident85.9Confident31 Ų3138.5 Ų38.532%0.3223%0.225SC..Hα-helixtrans-66.9-51.1177.800000112.2D180 A184 Q185 F186D180-G182 VanDerWaalsContact C-N 3.25Å; D180-G182 PolarHBondContact O-N 3.07Å; D180-G182 PolarHBondContact OD1-N 3.24Å; G182-A184 VanDerWaalsContact C-N 3.34Å; G182-A184 PolarHBondContact O-N 3.2Å; G182-Q185 WeakPolarHBondContact O-CB 3.5Å; G182-Q185 PolarHBondContact O-N 2.93Å; G182-F186 PolarHBondContact O-N 3.02Å
183A85.3Confident85.2Confident0 Ų036.9 Ų36.90%022%0.216CC..Hα-helixtrans-68.3-33.2175.500000112.2V179 D180 Q185 F186 F187 Y432 V446 I448V179-A183 HydrophobicContact CB-CB 3.59Å; V179-A183 HydrophobicContact CG1-CB 3.95Å; V179-A183 HydrophobicContact CG2-CB 4.28Å; D180-A183 PolarHBondContact O-N 3.4Å; D180-A183 PolarHBondContact OD1-N 2.96Å; A183-Q185 VanDerWaalsContact C-N 3.28Å; A183-Q185 PolarHBondContact O-N 3.29Å; A183-F186 VanDerWaalsContact O-CB 3.31Å; A183-F186 WeakPolarHBondContact O-CB 3.47Å; A183-F186 PolarHBondContact O-N 3.37Å; A183-F186 VanDerWaalsContact O-N 3.15Å; A183-F187 VanDerWaalsContact O-CD2 3.26Å; A183-F187 WeakPolarHBondContact O-CD2 3.38Å; A183-F187 PolarHBondContact O-N 3.1Å; A183-Y432 HydrophobicContact CB-CD1 3.82Å; A183-Y432 HydrophobicContact CB-CE1 3.49Å; A183-Y432 VanDerWaalsContact CB-CE1 3.49Å; A183-Y432 HydrophobicContact CB-CE2 4.36Å; A183-Y432 HydrophobicContact CB-CG 4.39Å; A183-Y432 VanDerWaalsContact N-CZ 3.34Å; A183-Y432 PolarHBondContact N-OH 2.86Å; A183-V446 HydrophobicContact CB-CG1 4.42Å; A183-I448 HydrophobicContact CB-CD1 3.68Å
184A88.2Confident83.9Confident4 Ų440.9 Ų40.93%0.03323%0.232CC..Hα-helixtrans-58.6-41.9171.300000111.6I174 D180 G182 F186 F187 L188I174-A184 HydrophobicContact CG1-CB 3.72Å; I174-A184 WeakPolarHBondContact O-CB 3.39Å; D180-A184 VanDerWaalsContact O-CB 3.23Å; D180-A184 WeakPolarHBondContact O-CB 2.99Å; D180-A184 PolarHBondContact O-N 3.16Å; G182-A184 VanDerWaalsContact C-N 3.34Å; G182-A184 PolarHBondContact O-N 3.2Å; A184-F186 VanDerWaalsContact C-N 3.28Å; A184-F186 PolarHBondContact O-N 3.19Å; A184-F187 PolarHBondContact O-N 3.35Å; A184-F187 VanDerWaalsContact O-N 3.17Å; A184-L188 PolarHBondContact O-N 3.43Å
185Q87.8Confident82.4Confident122 Ų12244.1 Ų44.157%0.5725%0.249SC*.Hα-helixtrans-63.4-33.2176.9-172.46334.500112.5A181 G182 A183 F187 L188A181-Q185 WeakPolarHBondContact O-CB 3.48Å; A181-Q185 PolarHBondContact O-N 3.34Å; G182-Q185 WeakPolarHBondContact O-CB 3.5Å; G182-Q185 PolarHBondContact O-N 2.93Å; A183-Q185 VanDerWaalsContact C-N 3.28Å; A183-Q185 PolarHBondContact O-N 3.29Å; Q185-F187 VanDerWaalsContact C-N 3.28Å; Q185-F187 PolarHBondContact O-N 2.84Å; Q185-L188 PolarHBondContact O-N 3.4Å
186F88.6Confident80.6Confident18 Ų1849.6 Ų49.68%0.07928%0.283CS..Hα-helixtrans-60.8-36.9174.6177.6-92.5000112G182 A183 A184 P189 Y190 F403 I426 Y432 I448G182-F186 PolarHBondContact O-N 3.02Å; A183-F186 VanDerWaalsContact O-CB 3.31Å; A183-F186 WeakPolarHBondContact O-CB 3.47Å; A183-F186 PolarHBondContact O-N 3.37Å; A183-F186 VanDerWaalsContact O-N 3.15Å; A184-F186 VanDerWaalsContact C-N 3.28Å; A184-F186 PolarHBondContact O-N 3.19Å; F186-P189 WeakPolarHBondContact O-CD 3.47Å; F186-Y190 WeakPolarHBondContact O-CD2 2.81Å; F186-Y190 WeakPolarHBondContact O-CE2 3.45Å; F186-F403 HydrophobicContact CE1-CD1 4.06Å; F186-F403 HydrophobicContact CE1-CD2 4.04Å; F186-F403 HydrophobicContact CE1-CE1 4.07Å; F186-F403 HydrophobicContact CE1-CE2 4.05Å; F186-F403 HydrophobicContact CE1-CG 4.05Å; F186-F403 HydrophobicContact CE1-CZ 4.07Å; F186-F403 HydrophobicContact CZ-CD1 4.17Å; F186-F403 AromaticContact CZ-CE1 3.88Å; F186-F403 HydrophobicContact CZ-CE1 3.88Å; F186-F403 HydrophobicContact CZ-CZ 4.07Å; F186-I426 HydrophobicContact CD2-CG2 4.14Å; F186-Y432 HydrophobicContact CB-CD2 4.2Å; F186-I448 HydrophobicContact CD1-CG2 4.06Å; F186-I448 HydrophobicContact CE1-CG2 3.61Å; F186-I448 HydrophobicContact CZ-CG2 4.35Å
187F89.6Confident78.9Confident0 Ų057.4 Ų57.40%032%0.317CS..Hα-helixtrans-81.3-23.5-179.2-64.9-53.9000115I174 V179 A183 A184 Q185 P189 Y190 F400 F401 F403 V405 I448I174-F187 HydrophobicContact CD1-CB 4.35Å; V179-F187 HydrophobicContact CG1-CE2 4.24Å; V179-F187 HydrophobicContact CG2-CE2 4.39Å; A183-F187 VanDerWaalsContact O-CD2 3.26Å; A183-F187 WeakPolarHBondContact O-CD2 3.38Å; A183-F187 PolarHBondContact O-N 3.1Å; A184-F187 PolarHBondContact O-N 3.35Å; A184-F187 VanDerWaalsContact O-N 3.17Å; Q185-F187 VanDerWaalsContact C-N 3.28Å; Q185-F187 PolarHBondContact O-N 2.84Å; F187-P189 VanDerWaalsContact C-CD 3.45Å; F187-Y190 WeakPolarHBondContact O-CB 2.91Å; F187-Y190 PolarHBondContact O-N 2.71Å; F187-F400 HydrophobicContact CE1-CB 4.12Å; F187-F400 HydrophobicContact CE2-CB 4.46Å; F187-F400 HydrophobicContact CE2-CD2 4.29Å; F187-F400 HydrophobicContact CZ-CB 3.99Å; F187-F400 HydrophobicContact CZ-CD2 4.32Å; F187-F401 HydrophobicContact CB-CD2 3.65Å; F187-F401 HydrophobicContact CB-CE2 3.68Å; F187-F401 HydrophobicContact CB-CG 4.47Å; F187-F401 HydrophobicContact CD1-CB 4.24Å; F187-F401 AromaticContact CD1-CD2 3.43Å; F187-F401 HydrophobicContact CD1-CD2 3.43Å; F187-F401 VanDerWaalsContact CD1-CD2 3.43Å; F187-F401 HydrophobicContact CD1-CE2 4.2Å; F187-F401 HydrophobicContact CD1-CG 4.2Å; F187-F401 HydrophobicContact CD2-CD2 4.33Å; F187-F401 HydrophobicContact CD2-CE2 4.35Å; F187-F401 HydrophobicContact CE1-CD2 4.11Å; F187-F401 AromaticContact CG-CD2 3.55Å; F187-F401 HydrophobicContact CG-CD2 3.55Å; F187-F401 AromaticContact CG-CE2 3.84Å; F187-F401 HydrophobicContact CG-CE2 3.84Å; F187-F403 HydrophobicContact CD1-CD2 4.44Å; F187-F403 HydrophobicContact CE1-CB 4.32Å; F187-F403 HydrophobicContact CE1-CD2 4.18Å; F187-V405 HydrophobicContact CZ-CG2 3.89Å; F187-I448 HydrophobicContact CE1-CD1 4.39Å; F187-I448 HydrophobicContact CE1-CG2 3.91Å; F187-I448 HydrophobicContact CE2-CD1 3.77Å; F187-I448 HydrophobicContact CZ-CD1 3.52Å; F187-I448 HydrophobicContact CZ-CG1 4.1Å; F187-I448 HydrophobicContact CZ-CG2 3.9Å
188L88.4Confident77.3Confident48 Ų4861.6 Ų61.625%0.25134%0.338SS..G310 helixtrans-53-42.5-174.1-66.6-175.3000114.8I174 A184 Q185 Y190 L191 I246I174-L188 HydrophobicContact CD1-CD2 3.75Å; I174-L188 HydrophobicContact CG1-CD2 4.21Å; A184-L188 PolarHBondContact O-N 3.43Å; Q185-L188 PolarHBondContact O-N 3.4Å; L188-Y190 PolarHBondContact O-N 2.73Å; L188-Y190 VanDerWaalsContact O-N 3.12Å; L188-L191 HydrophobicContact CB-CD1 4.42Å; L188-L191 HydrophobicContact CD2-CD1 3.56Å; L188-L191 WeakPolarHBondContact O-CB 3.36Å; L188-L191 WeakPolarHBondContact O-CG 3.36Å; L188-L191 PolarHBondContact O-N 2.95Å; L188-I246 HydrophobicContact CD2-CD1 4.28Å
189P88.5Confident75.5Confident92 Ų9262.9 Ų62.960%0.59736%0.355SS*.G310 helixtrans-61.7-19.5177.5-23.736000114.2F186 F187F186-P189 WeakPolarHBondContact O-CD 3.47Å; F187-P189 VanDerWaalsContact C-CD 3.45Å
190Y86.8Confident73.4Confident38 Ų3869 Ų6915%0.14939%0.394CS..G310 helixtrans-93.8-10.9-176.9-57.4-85.6000113.3F186 F187 L188 N192 K193 F403 G429F186-Y190 WeakPolarHBondContact O-CD2 2.81Å; F186-Y190 WeakPolarHBondContact O-CE2 3.45Å; F187-Y190 WeakPolarHBondContact O-CB 2.91Å; F187-Y190 PolarHBondContact O-N 2.71Å; L188-Y190 PolarHBondContact O-N 2.73Å; L188-Y190 VanDerWaalsContact O-N 3.12Å; Y190-N192 VanDerWaalsContact C-N 3.26Å; Y190-N192 PolarHBondContact O-N 3.45Å; Y190-K193 HydrophobicContact CD1-CD 3.94Å; Y190-K193 HydrophobicContact CE1-CD 4.26Å; Y190-K193 PolarHBondContact O-N 3.28Å; Y190-K193 VanDerWaalsContact O-N 3.08Å; Y190-F403 AromaticContact CD1-CE2 3.95Å; Y190-F403 HydrophobicContact CD1-CE2 3.95Å; Y190-F403 HydrophobicContact CD1-CZ 4.43Å; Y190-F403 HydrophobicContact CD2-CE2 4.02Å; Y190-F403 AromaticContact CE1-CE2 3.82Å; Y190-F403 HydrophobicContact CE1-CE2 3.82Å; Y190-F403 AromaticContact CE1-CZ 3.84Å; Y190-F403 HydrophobicContact CE1-CZ 3.84Å; Y190-F403 AromaticContact CE2-CE2 3.89Å; Y190-F403 HydrophobicContact CE2-CE2 3.89Å; Y190-F403 HydrophobicContact CE2-CZ 4.08Å; Y190-F403 HydrophobicContact CG-CE2 4.07Å; Y190-F403 AromaticContact CZ-CE2 3.81Å; Y190-F403 AromaticContact CZ-CZ 3.66Å; Y190-G429 WeakPolarHBondContact OH-CA 3.43Å
191L84.8Confident71.4Confident12 Ų1273.7 Ų73.76%0.06341%0.413CS..THydrogen-bonded Turntrans-54-41.1-179-71.9171000113.1V157 W167 I174 L188 R242 V244 I246 F401V157-L191 HydrophobicContact CG1-CD2 3.85Å; W167-L191 HydrophobicContact CZ3-CD2 4.24Å; I174-L191 HydrophobicContact CD1-CD2 4.33Å; L188-L191 HydrophobicContact CB-CD1 4.42Å; L188-L191 HydrophobicContact CD2-CD1 3.56Å; L188-L191 WeakPolarHBondContact O-CB 3.36Å; L188-L191 WeakPolarHBondContact O-CG 3.36Å; L188-L191 PolarHBondContact O-N 2.95Å; L191-R242 VanDerWaalsContact O-CZ 3.27Å; L191-R242 PolarHBondContact O-NE 3.46Å; L191-R242 PolarHBondContact O-NH2 3.29Å; L191-V244 HydrophobicContact CB-CB 4.45Å; L191-V244 HydrophobicContact CD2-CG1 4.47Å; L191-I246 HydrophobicContact CD1-CD1 3.56Å; L191-F401 HydrophobicContact CD2-CE1 3.71Å; L191-F401 HydrophobicContact CD2-CZ 3.71Å
192N78.8Confident69.5Low95 Ų9574.6 Ų74.651%0.50840%0.404SS..THydrogen-bonded Turntrans-106.98.6-179.9-65.9-48.4000113.2Y190 R243 V244Y190-N192 VanDerWaalsContact C-N 3.26Å; Y190-N192 PolarHBondContact O-N 3.45Å; N192-R243 WeakPolarHBondContact OD1-CA 3.44Å; N192-V244 PolarHBondContact OD1-N 2.75Å
193K76Confident67.4Low113 Ų11382 Ų8249%0.49142%0.422SS..SBendtrans-87.2128175.1-162.7-177.7-179.2-172.30108.3Y190 R242Y190-K193 HydrophobicContact CD1-CD 3.94Å; Y190-K193 HydrophobicContact CE1-CD 4.26Å; Y190-K193 PolarHBondContact O-N 3.28Å; Y190-K193 VanDerWaalsContact O-N 3.08Å; K193-R242 PolarHBondContact O-NH2 3.16Å
194E63.5Low65.3Low105 Ų10585.4 Ų85.449%0.49144%0.44SS..  trans-68.1133.7170.5-73.4177.3-173.700109.4T196E194-T196 PolarHBondContact O-N 3.14Å
195N57.3Low62.7Low68 Ų6887 Ų8736%0.36445%0.45SS..  trans-62.7109.4168.7-81.2-15.8000107.5E159 E197E159-N195 PolarHBondContact OE1-ND2 2.86Å; E159-N195 PolarHBondContact OE2-ND2 3.22Å; N195-E197 VanDerWaalsContact C-N 3.34Å
196T50Low60.3Low116 Ų11689.4 Ų89.471%0.71246%0.455SS*.  trans-86.3-10.5-176.628.20000112.3E194 V198E194-T196 PolarHBondContact O-N 3.14Å; T196-V198 VanDerWaalsContact C-N 3.3Å; T196-V198 PolarHBondContact O-N 2.97Å
197E50Low57.8Low180 Ų18093 Ų9384%0.84148%0.478SS*.  trans-75.484.5173.8-67.5-164167.700110.4N195 G199N195-E197 VanDerWaalsContact C-N 3.34Å; E197-G199 PolarHBondContact O-N 2.8Å
198V46.4Very low55Low133 Ų133100 Ų10081%0.80651%0.511SS*.  trans-79.661.2163.6-165.70000107.9T196T196-V198 VanDerWaalsContact C-N 3.3Å; T196-V198 PolarHBondContact O-N 2.97Å
199G44.4Very low52.3Low40 Ų40106.5 Ų106.541%0.41254%0.539SS..  trans-62.2162.1164.600000110.2E197 K201E197-G199 PolarHBondContact O-N 2.8Å; G199-K201 PolarHBondContact O-N 2.98Å
200P39.4Very low49.6Very low127 Ų127105.7 Ų105.783%0.82553%0.533SS*.  trans-56.1113.9171.322.7-30.4000109.4K202P200-K202 PolarHBondContact O-N 2.74Å
201K41Very low46.9Very low140 Ų140108.7 Ų108.761%0.60956%0.559SS**  trans-63.6120.6175.7-65.7-172.7176.2-169.40109G199 R203G199-K201 PolarHBondContact O-N 2.98Å; K201-R203 VanDerWaalsContact C-N 3.34Å; K201-R203 PolarHBondContact O-N 3.21Å
202K42.5Very low44.3Very low85 Ų85116.2 Ų116.237%0.3760%0.6SS.*  trans-73.787.9175.8-61174.1-170.4164.90109.3D59 P200 L204 D228 E231D59-K202 IonicContact OD1-NZ 2.88Å; D59-K202 IonicContact OD2-NZ 2.94Å; D59-K202 PolarHBondContact OD2-NZ 3.5Å; P200-K202 PolarHBondContact O-N 2.74Å; K202-L204 PolarHBondContact O-N 3.49Å; K202-D228 IonicContact NZ-OD2 2.79Å; K202-D228 PolarHBondContact NZ-OD2 3.29Å; K202-E231 WeakPolarHBondContact CB-OE2 3.49Å; K202-E231 VanDerWaalsContact CG-OE2 3.3Å; K202-E231 WeakPolarHBondContact CG-OE2 3.3Å; K202-E231 PolarHBondContact N-OE2 2.78Å
203R38.8Very low42.1Very low185 Ų185120.5 Ų120.570%0.69862%0.616SS**  trans-85.595.3166.3-166.4175.9-176.7-175.24.5109.4K201 T205K201-R203 VanDerWaalsContact C-N 3.34Å; K201-R203 PolarHBondContact O-N 3.21Å; R203-T205 VanDerWaalsContact CG-OG1 3.26Å; R203-T205 WeakPolarHBondContact CG-OG1 3.42Å; R203-T205 PolarHBondContact NE-OG1 3.38Å
204L41.1Very low40.1Very low72 Ų72117.8 Ų117.838%0.37761%0.612SS.*  trans-95.522.6175.1-73.7167.2000113.2K202 Y206K202-L204 PolarHBondContact O-N 3.49Å; L204-Y206 PolarHBondContact O-N 2.76Å; L204-Y206 VanDerWaalsContact O-N 3.15Å
205T32.8Very low38.6Very low38 Ų38119.2 Ų119.223%0.23363%0.628CS.*  trans-75.5101.9172.22.50000109.8E62 R203 T207E62-T205 WeakPolarHBondContact OE2-CG2 3.47Å; R203-T205 VanDerWaalsContact CG-OG1 3.26Å; R203-T205 WeakPolarHBondContact CG-OG1 3.42Å; R203-T205 PolarHBondContact NE-OG1 3.38Å; T205-T207 PolarHBondContact O-N 2.92Å
206Y38.5Very low37.6Very low173 Ų173118.4 Ų118.468%0.67863%0.631SS**  trans-84.270.9156.6-71.4-85.5000108.4L204 H208L204-Y206 PolarHBondContact O-N 2.76Å; L204-Y206 VanDerWaalsContact O-N 3.15Å; Y206-H208 PolarHBondContact O-N 2.91Å
207T34.7Very low36.8Very low93 Ų93122.1 Ų122.157%0.57164%0.637SS**  trans-72.588.6165.9-30.50000106.9T205 H209T205-T207 PolarHBondContact O-N 2.92Å; T207-H209 PolarHBondContact O-N 2.86Å; T207-H209 VanDerWaalsContact O-N 3.11Å
208H31.2Very low36.3Very low146 Ų146117.2 Ų117.268%0.67664%0.635SS**  trans-59.6116.6161.5-104.5-88.2000106.2Y206 V210Y206-H208 PolarHBondContact O-N 2.91Å; H208-V210 PolarHBondContact O-N 2.87Å
209H32.2Very low36.3Very low185 Ų185111.9 Ų111.986%0.85660%0.603SS**  trans-60.588.9160.4-79.4-75.3000106.9T207 S211T207-H209 PolarHBondContact O-N 2.86Å; T207-H209 VanDerWaalsContact O-N 3.11Å; H209-S211 PolarHBondContact O-N 3.45Å; H209-S211 VanDerWaalsContact O-N 3.11Å
210V31Very low36.7Very low76 Ų76118.3 Ų118.346%0.46162%0.623SS.*  trans-64.6114.3169.8178.50000105.7H208 D212H208-V210 PolarHBondContact O-N 2.87Å; V210-D212 PolarHBondContact O-N 3.35Å
211S29.8Very low37.6Very low100 Ų100115 Ų11570%0.69960%0.595SS**  trans-51.4107.9170.650.70000110.4H209 Q213H209-S211 PolarHBondContact O-N 3.45Å; H209-S211 VanDerWaalsContact O-N 3.11Å; S211-Q213 PolarHBondContact O-N 3.14Å
212D30.9Very low38.6Very low171 Ų171108.9 Ų108.991%0.91457%0.572SS**SBendtrans33.820.6152-74.2-16.8000121.7V210V210-D212 PolarHBondContact O-N 3.35Å
213Q32.3Very low40.2Very low184 Ų184106 Ų10686%0.8656%0.563SS**  trans-126.51.7177.2-66.8-167.413.100115.4S211S211-Q213 PolarHBondContact O-N 3.14Å
214S35Very low41.8Very low56 Ų5698.7 Ų98.739%0.39254%0.542SS..  trans-90.2111173.9178.50000110.3N40 A216N40-S214 PolarHBondContact ND2-OG 2.94Å; S214-A216 PolarHBondContact O-N 3.49Å
215T31.2Very low43.2Very low136 Ų13696.1 Ų96.183%0.83453%0.528SS*.  trans-78.319.2175.651.70000113.5K217T215-K217 PolarHBondContact O-N 3.21Å
216A35.6Very low45.4Very low51 Ų5194.4 Ų94.442%0.42152%0.519SS..  trans-69.574.217100000108.8S214 G218S214-A216 PolarHBondContact O-N 3.49Å; A216-G218 PolarHBondContact O-N 3.27Å
217K34.3Very low47Very low193 Ų19387.2 Ų87.284%0.83949%0.493SS*.  trans-51.2125.9161.8-74.9-178174.3-178.50106T215 S219T215-K217 PolarHBondContact O-N 3.21Å; K217-S219 PolarHBondContact O-N 2.82Å
218G40Very low48.8Very low78 Ų7883.9 Ų83.980%0.80447%0.472SS*.  trans-29.1106.2-172.200000112A216 E220A216-G218 PolarHBondContact O-N 3.27Å; G218-E220 PolarHBondContact O-N 2.86Å
219S46.2Very low50.8Low20 Ų2077.6 Ų77.614%0.1444%0.442CS..  trans-67135.2-176.7500000108.5K217 F221K217-S219 PolarHBondContact O-N 2.82Å; S219-F221 PolarHBondContact O-N 2.85Å; S219-F221 PolarHBondContact OG-O 2.87Å
220E51.3Low52.6Low175 Ų17570.1 Ų70.182%0.81841%0.408SS*.SBendtrans-61.4-6.3170-69.9-176158.700112.9G218G218-E220 PolarHBondContact O-N 2.86Å
221F59.9Low54.4Low57 Ų5769 Ų6925%0.2540%0.398CS..  trans-116.4103.2-174.6-57.1-81.8000110.2A38 S219 N307A38-F221 HydrophobicContact CB-CB 4.42Å; S219-F221 PolarHBondContact O-N 2.85Å; S219-F221 PolarHBondContact OG-O 2.87Å; F221-N307 HydrophobicContact CE1-CB 4.47Å
222G61.5Low56.1Low12 Ų1266.1 Ų66.112%0.12438%0.376CS..  trans-96.4172.4167.900000113D127 E129D127-G222 VanDerWaalsContact CB-C 3.45Å; D127-G222 VanDerWaalsContact OD2-CA 3.28Å; D127-G222 WeakPolarHBondContact OD2-CA 3.31Å; D127-G222 PolarHBondContact OD2-N 3.4Å; E129-G222 WeakPolarHBondContact OE2-CA 3.49Å
223S75.5Confident57.9Low24 Ų2459.3 Ų59.317%0.16834%0.342CS..  trans-112.8142.6173.7-64.20000110.9G14 K43 D127G14-S223 PolarHBondContact N-OG 3.4Å; K43-S223 WeakPolarHBondContact CE-O 3.38Å; K43-S223 VanDerWaalsContact CG-CB 3.42Å; D127-S223 WeakPolarHBondContact CA-O 3.38Å; D127-S223 VanDerWaalsContact CB-O 3.28Å; D127-S223 WeakPolarHBondContact CB-O 3.28Å
224A73Confident60.1Low32 Ų3257.6 Ų57.626%0.26433%0.334SS..BIsolated β-bridgetrans-58.4148.1-177.600000112.8R126R126-A224 WeakPolarHBondContact O-CA 3.38Å
225L70.6Confident62.5Low18 Ų1855.4 Ų55.49%0.09432%0.318CS..  trans-91.4-11.7-171-71.2161.5000115.4V60 T128 V131 W229V60-L225 WeakPolarHBondContact CB-O 3.28Å; T128-L225 HydrophobicContact CG2-CD2 4.38Å; T128-L225 WeakPolarHBondContact OG1-CD2 3.41Å; V131-L225 HydrophobicContact CB-CD1 3.71Å; V131-L225 HydrophobicContact CG1-CD1 4.22Å; V131-L225 HydrophobicContact CG2-CD1 3.33Å; L225-W229 HydrophobicContact CB-CB 3.32Å; L225-W229 HydrophobicContact CB-CG 4.34Å; L225-W229 HydrophobicContact CD1-CB 3.86Å; L225-W229 HydrophobicContact CG-CB 4.19Å
226G77.8Confident65.4Low3 Ų351.6 Ų51.63%0.03129%0.294CS..  trans77.5-167.8-176.200000113.9W229G226-W229 VanDerWaalsContact O-CD1 3.26Å
227P72.9Confident68.3Low21 Ų2149.6 Ų49.614%0.13628%0.279CS..THydrogen-bonded Turntrans-69.4-39.7-168.423.2-31.3000114.6F58 W229 W362F58-P227 VanDerWaalsContact O-CG 3.22Å; F58-P227 WeakPolarHBondContact O-CG 3.24Å; P227-W229 VanDerWaalsContact C-N 3.27Å; P227-W229 PolarHBondContact O-N 3.5Å; P227-W362 HydrophobicContact CB-CH2 4.11Å; P227-W362 HydrophobicContact CB-CZ2 3.63Å; P227-W362 HydrophobicContact CG-CZ2 4.32Å
228D72.7Confident71.2Confident24 Ų2442.8 Ų42.813%0.12826%0.258CS..THydrogen-bonded Turntrans-91.524.9-173-71.1-13.6000112.5K202 I230 E231 K399K202-D228 IonicContact NZ-OD2 2.79Å; K202-D228 PolarHBondContact NZ-OD2 3.29Å; D228-I230 PolarHBondContact O-N 3.16Å; D228-I230 VanDerWaalsContact O-N 3.16Å; D228-E231 HydrophobicContact CB-CG 4.4Å; D228-E231 WeakPolarHBondContact O-CB 3.26Å; D228-E231 PolarHBondContact O-N 3.38Å; D228-K399 IonicContact OD1-NZ 3.39Å; D228-K399 PolarHBondContact OD1-NZ 3.17Å
229W74Confident73.8Confident14 Ų1440.5 Ų40.55%0.05323%0.227CC..G310 helixtrans-59.6-32.1-174.169.2-90.8000113.6V131 E155 I156 L225 G226 P227 E231 T232V131-W229 HydrophobicContact CB-CE3 4.47Å; V131-W229 HydrophobicContact CG1-CE3 3.85Å; V131-W229 HydrophobicContact CG1-CZ3 3.98Å; V131-W229 HydrophobicContact CG2-CE3 3.67Å; V131-W229 HydrophobicContact CG2-CZ3 3.86Å; E155-W229 HydrophobicContact CB-CZ2 4.09Å; E155-W229 PolarHBondContact OE2-NE1 3.05Å; I156-W229 HydrophobicContact CG1-CH2 3.79Å; I156-W229 HydrophobicContact CG1-CZ2 4.06Å; L225-W229 HydrophobicContact CB-CB 3.32Å; L225-W229 HydrophobicContact CB-CG 4.34Å; L225-W229 HydrophobicContact CD1-CB 3.86Å; L225-W229 HydrophobicContact CG-CB 4.19Å; G226-W229 VanDerWaalsContact O-CD1 3.26Å; P227-W229 VanDerWaalsContact C-N 3.27Å; P227-W229 PolarHBondContact O-N 3.5Å; W229-E231 VanDerWaalsContact C-N 3.26Å; W229-E231 PolarHBondContact O-N 3.15Å; W229-T232 PolarHBondContact O-N 3.23Å; W229-T232 PolarHBondContact O-OG1 2.77Å
230I70.1Confident75.9Confident27 Ų2748 Ų4814%0.13826%0.26CS..G310 helixtrans-58.4-36.1175.4-75.9124.3000112.5E155 E159 D228 T232 C233 I235E155-I230 HydrophobicContact CB-CD1 4.1Å; E159-I230 HydrophobicContact CB-CD1 4.05Å; E159-I230 HydrophobicContact CB-CG1 3.86Å; E159-I230 HydrophobicContact CB-CG2 3.94Å; E159-I230 HydrophobicContact CG-CD1 3.6Å; E159-I230 HydrophobicContact CG-CG1 3.96Å; E159-I230 HydrophobicContact CG-CG2 4.22Å; D228-I230 PolarHBondContact O-N 3.16Å; D228-I230 VanDerWaalsContact O-N 3.16Å; I230-T232 PolarHBondContact O-N 3.27Å; I230-T232 VanDerWaalsContact O-N 3.16Å; I230-C233 PolarHBondContact O-N 2.76Å; I230-I235 HydrophobicContact CB-CD1 4.23Å; I230-I235 HydrophobicContact CG1-CD1 3.97Å; I230-I235 HydrophobicContact CG2-CD1 3.56Å; I230-I235 HydrophobicContact CG2-CG1 4.41Å
231E69Low77.8Confident52 Ų5246 Ų4624%0.24325%0.249CC..G310 helixtrans-68-17.7-176.8-61-168.5-175.900112.4K202 D228 W229K202-E231 WeakPolarHBondContact CB-OE2 3.49Å; K202-E231 VanDerWaalsContact CG-OE2 3.3Å; K202-E231 WeakPolarHBondContact CG-OE2 3.3Å; K202-E231 PolarHBondContact N-OE2 2.78Å; D228-E231 HydrophobicContact CB-CG 4.4Å; D228-E231 WeakPolarHBondContact O-CB 3.26Å; D228-E231 PolarHBondContact O-N 3.38Å; W229-E231 VanDerWaalsContact C-N 3.26Å; W229-E231 PolarHBondContact O-N 3.15Å
232T64.9Low79.4Confident40 Ų4044.1 Ų44.125%0.24524%0.24CC..G310 helixtrans-86.8-11.7-175.868.90000114W229 I230W229-T232 PolarHBondContact O-N 3.23Å; W229-T232 PolarHBondContact O-OG1 2.77Å; I230-T232 PolarHBondContact O-N 3.27Å; I230-T232 VanDerWaalsContact O-N 3.16Å
233C69.3Low80.9Confident28 Ų2846.2 Ų46.219%0.18924%0.244CC..SBendtrans-135.1150.2-171.2-64.50000114.4V131 I230 I235V131-C233 HydrophobicContact CG1-CB 4Å; V131-C233 WeakPolarHBondContact CG1-SG 3.43Å; I230-C233 PolarHBondContact O-N 2.76Å; C233-I235 HydrophobicContact CB-CG2 4.26Å; C233-I235 PolarHBondContact O-N 2.93Å
234E78.4Confident81.9Confident149 Ų14945.9 Ų45.970%0.69624%0.241SC*.  trans-77.197.8167.8-74.4-175.1174.900109.5
235I85.5Confident82.9Confident10 Ų1046.5 Ų46.55%0.05124%0.238CC..  trans-10257.5178.355.8163.8000111.7F134 L138 E159 V160 S161 I230 C233F134-I235 HydrophobicContact CD1-CG2 4.26Å; F134-I235 HydrophobicContact CE1-CG2 4.06Å; L138-I235 VanDerWaalsContact CD2-C 3.43Å; L138-I235 HydrophobicContact CD2-CB 4Å; E159-I235 HydrophobicContact CB-CD1 3.71Å; E159-I235 WeakPolarHBondContact O-CD1 3.41Å; V160-I235 WeakPolarHBondContact CA-O 3.46Å; V160-I235 HydrophobicContact CG2-CB 4.37Å; V160-I235 HydrophobicContact CG2-CD1 4.4Å; S161-I235 PolarHBondContact N-O 3.3Å; S161-I235 PolarHBondContact OG-O 3.31Å; I230-I235 HydrophobicContact CB-CD1 4.23Å; I230-I235 HydrophobicContact CG1-CD1 3.97Å; I230-I235 HydrophobicContact CG2-CD1 3.56Å; I230-I235 HydrophobicContact CG2-CG1 4.41Å; C233-I235 HydrophobicContact CB-CG2 4.26Å; C233-I235 PolarHBondContact O-N 2.93Å
236T92.1Very high84.1Confident56 Ų5646.7 Ų46.734%0.34424%0.239SC..BIsolated β-bridgetrans-120.6128.3-176.7-57.40000110.7K139 S161 N162K139-T236 WeakPolarHBondContact CA-O 3.46Å; S161-T236 WeakPolarHBondContact OG-CA 3.47Å; S161-T236 WeakPolarHBondContact OG-CB 3.36Å; S161-T236 PolarHBondContact OG-OG1 2.8Å; N162-T236 HydrophobicContact CB-CG2 3.68Å; N162-T236 WeakPolarHBondContact ND2-CG2 3.13Å
237G95Very high85Confident9 Ų947.5 Ų47.59%0.09324%0.242CC..  trans-82.9-172.4176.200000114.9L138 S161 N162L138-G237 WeakPolarHBondContact O-CA 3.29Å; S161-G237 PolarHBondContact O-N 2.96Å; N162-G237 WeakPolarHBondContact CB-O 3.42Å; N162-G237 CarbonylContact O-C 3.45Å; N162-G237 WeakPolarHBondContact O-CA 3.4Å
238A95.2Very high86Confident50 Ų5050.4 Ų50.441%0.41325%0.251SS..SBendtrans-93.44.1-173.800000115.3A141 R142 N162A141-A238 WeakPolarHBondContact O-CB 3.46Å; A141-A238 PolarHBondContact O-N 3.43Å; R142-A238 HydrophobicContact CG-CB 4.2Å; N162-A238 PolarHBondContact O-N 2.87Å
239L95.5Very high87.1Confident30 Ų3055.5 Ų55.516%0.15727%0.272CS..SBendtrans-96.9174.9177.6-58.7-175.5000111.9R142 N162 E164R142-L239 HydrophobicContact CB-CD2 3.93Å; R142-L239 HydrophobicContact CB-CG 4.19Å; R142-L239 HydrophobicContact CG-CD2 3.92Å; R142-L239 VanDerWaalsContact O-CD1 3.24Å; R142-L239 WeakPolarHBondContact O-CD1 3.39Å; N162-L239 WeakPolarHBondContact CB-O 3.38Å; N162-L239 VanDerWaalsContact CG-O 3.31Å; N162-L239 PolarHBondContact ND2-O 3.15Å; N162-L239 WeakPolarHBondContact O-CA 3.35Å; N162-L239 WeakPolarHBondContact O-CB 3.33Å; N162-L239 PolarHBondContact O-N 2.93Å; E164-L239 HydrophobicContact CB-CD1 4.49Å; E164-L239 HydrophobicContact CG-CD1 3.85Å
240E91Very high88.1Confident176 Ų17655 Ų5582%0.82227%0.271SS*.SBendtrans-81.9-25.2175.6-66.4-174.8170.100113.3N162N162-E240 PolarHBondContact OD1-O 2.68Å
241K90.7Very high89.3Confident133 Ų13355 Ų5558%0.57828%0.275SS*.SBendtrans-144.3150.5-175.6-65.8-173178.1-176.70110.7
242R92.2Very high90.6Very high19 Ų1954.1 Ų54.17%0.07227%0.273CS..  trans-72.4142.6165.6176.3176.766.4-141.213.9110.3G158 V160 V163 I165 L191 K193 V244G158-R242 PolarHBondContact O-NH1 2.76Å; G158-R242 PolarHBondContact O-NH2 3.01Å; V160-R242 VanDerWaalsContact O-CD 3.23Å; V160-R242 WeakPolarHBondContact O-CD 3.44Å; V160-R242 PolarHBondContact O-NH1 2.97Å; V163-R242 VanDerWaalsContact O-CA 3.29Å; V163-R242 WeakPolarHBondContact O-CA 3.48Å; I165-R242 HydrophobicContact CD1-CG 4.44Å; L191-R242 VanDerWaalsContact O-CZ 3.27Å; L191-R242 PolarHBondContact O-NE 3.46Å; L191-R242 PolarHBondContact O-NH2 3.29Å; K193-R242 PolarHBondContact O-NH2 3.16Å; R242-V244 HydrophobicContact CG-CG2 4Å
243R94.2Very high92Very high56 Ų5657.5 Ų57.521%0.21128%0.284CS..EExtended strand (participates in β ladder)trans-135.2135.6162.8-73.9-179-76.1-1076110.4V163 E164 I165 N192 D274 F275V163-R243 PolarHBondContact O-N 2.67Å; V163-R243 VanDerWaalsContact O-N 3.08Å; E164-R243 CarbonylContact C-O 3.6Å; E164-R243 WeakPolarHBondContact CA-O 3.47Å; E164-R243 HydrophobicContact CG-CB 4.24Å; E164-R243 IonicContact OE1-CZ 2.71Å; E164-R243 IonicContact OE1-NE 3.11Å; E164-R243 PolarHBondContact OE1-NE 2.88Å; E164-R243 IonicContact OE1-NH2 2.7Å; E164-R243 PolarHBondContact OE1-NH2 2.95Å; I165-R243 PolarHBondContact N-O 3.26Å; N192-R243 WeakPolarHBondContact OD1-CA 3.44Å; R243-D274 WeakPolarHBondContact CD-OD2 3.39Å; R243-D274 PolarHBondContact NE-O 3.45Å; R243-D274 PolarHBondContact NH1-O 3.42Å; R243-D274 PolarHBondContact NH2-O 3.33Å; R243-D274 VanDerWaalsContact NH2-O 3.12Å; R243-F275 HydrophobicContact CB-CD2 4.47Å; R243-F275 HydrophobicContact CB-CE2 3.78Å; R243-F275 HydrophobicContact CB-CZ 3.94Å
244V95.5Very high93.3Very high17 Ų1759.2 Ų59.210%0.10329%0.29CS..EExtended strand (participates in β ladder)trans-116.6127.4178.5-173.30000109.9V157 I165 L191 N192 R242 I246V157-V244 HydrophobicContact CG1-CG1 3.8Å; V157-V244 HydrophobicContact CG1-CG2 4.11Å; I165-V244 HydrophobicContact CB-CG2 4.32Å; I165-V244 HydrophobicContact CD1-CG2 4.44Å; I165-V244 WeakPolarHBondContact O-CA 3.3Å; L191-V244 HydrophobicContact CB-CB 4.45Å; L191-V244 HydrophobicContact CD2-CG1 4.47Å; N192-V244 PolarHBondContact OD1-N 2.75Å; R242-V244 HydrophobicContact CG-CG2 4Å; V244-I246 HydrophobicContact CG1-CG1 4.22Å
245H95Very high94.3Very high44 Ų4453.3 Ų53.320%0.20426%0.263CS..EExtended strand (participates in β ladder)trans-118.4134.2168.2174.962.9000108.7I165 I166 W167 E247 P272 F275I165-H245 PolarHBondContact O-N 3.45Å; I166-H245 CarbonylContact C-O 3.54Å; I166-H245 WeakPolarHBondContact CA-O 3.44Å; I166-H245 HydrophobicContact CG1-CB 4.48Å; W167-H245 PolarHBondContact N-O 3.37Å; H245-E247 IonicContact CD2-OE1 2.95Å; H245-E247 IonicContact CE1-OE1 3.4Å; H245-E247 IonicContact NE2-OE1 2.82Å; H245-E247 PolarHBondContact NE2-OE1 3.02Å; H245-P272 HydrophobicContact CB-CG 4.39Å; H245-F275 HydrophobicContact CB-CE1 4.03Å; H245-F275 HydrophobicContact CB-CE2 4Å; H245-F275 HydrophobicContact CB-CZ 3.46Å; H245-F275 VanDerWaalsContact CB-CZ 3.46Å
246I95.4Very high94.8Very high22 Ų2253.2 Ų53.211%0.11326%0.263CS..EExtended strand (participates in β ladder)trans-110.4125-175.7-54.8164.2000109.1W167 V169 I174 L188 L191 V244 Y248W167-I246 HydrophobicContact CB-CG1 4.31Å; W167-I246 HydrophobicContact CE3-CD1 4.24Å; W167-I246 HydrophobicContact CE3-CG1 4.11Å; W167-I246 WeakPolarHBondContact O-CA 3.35Å; V169-I246 HydrophobicContact CG2-CG2 4.02Å; I174-I246 HydrophobicContact CG2-CD1 3.67Å; I174-I246 HydrophobicContact CG2-CG1 4.44Å; I174-I246 HydrophobicContact CG2-CG2 4.1Å; L188-I246 HydrophobicContact CD2-CD1 4.28Å; L191-I246 HydrophobicContact CD1-CD1 3.56Å; V244-I246 HydrophobicContact CG1-CG1 4.22Å; I246-Y248 HydrophobicContact CB-CD2 4.26Å; I246-Y248 HydrophobicContact CB-CE2 3.71Å; I246-Y248 HydrophobicContact CD1-CE2 4.5Å; I246-Y248 WeakPolarHBondContact CD1-OH 3.47Å; I246-Y248 HydrophobicContact CG2-CD1 4Å; I246-Y248 HydrophobicContact CG2-CD2 3.81Å; I246-Y248 HydrophobicContact CG2-CE1 3.7Å; I246-Y248 HydrophobicContact CG2-CE2 3.5Å; I246-Y248 HydrophobicContact CG2-CG 4.07Å; I246-Y248 VanDerWaalsContact CG2-CZ 3.45Å
247E95.6Very high95Very high21 Ų2152 Ų5210%0.09826%0.257CS..EExtended strand (participates in β ladder)trans-100.299.3172.1-73.5-67.3163.200108.8I166 W167 V169 H245 C250 L287I166-E247 HydrophobicContact CG2-CG 4.02Å; W167-E247 PolarHBondContact O-N 2.84Å; V169-E247 PolarHBondContact N-O 3.34Å; H245-E247 IonicContact CD2-OE1 2.95Å; H245-E247 IonicContact CE1-OE1 3.4Å; H245-E247 IonicContact NE2-OE1 2.82Å; H245-E247 PolarHBondContact NE2-OE1 3.02Å; E247-C250 PolarHBondContact O-SG 2.89Å; E247-L287 HydrophobicContact CB-CD1 3.97Å; E247-L287 HydrophobicContact CG-CD1 3.91Å
248Y95.3Very high94.9Very high82 Ų8254.5 Ų54.532%0.32227%0.265SS..  trans-80.1159.7-179.6-65.9-83.8000112.7V169 E172 I174 I246 C250V169-Y248 HydrophobicContact CG2-CD1 3.53Å; V169-Y248 HydrophobicContact CG2-CE1 4.11Å; V169-Y248 HydrophobicContact CG2-CG 4.17Å; V169-Y248 CarbonylContact O-C 3.53Å; E172-Y248 WeakPolarHBondContact O-CD1 3.46Å; I174-Y248 HydrophobicContact CG2-CE1 4Å; I246-Y248 HydrophobicContact CB-CD2 4.26Å; I246-Y248 HydrophobicContact CB-CE2 3.71Å; I246-Y248 HydrophobicContact CD1-CE2 4.5Å; I246-Y248 WeakPolarHBondContact CD1-OH 3.47Å; I246-Y248 HydrophobicContact CG2-CD1 4Å; I246-Y248 HydrophobicContact CG2-CD2 3.81Å; I246-Y248 HydrophobicContact CG2-CE1 3.7Å; I246-Y248 HydrophobicContact CG2-CE2 3.5Å; I246-Y248 HydrophobicContact CG2-CG 4.07Å; I246-Y248 VanDerWaalsContact CG2-CZ 3.45Å; Y248-C250 PolarHBondContact O-N 3.1Å; Y248-C250 VanDerWaalsContact O-N 3.15Å
249K95.5Very high95Very high131 Ų13158.1 Ų58.157%0.5727%0.274SS*.SBendtrans52.536.1173.9-60.9177.9171.7-176.70113.6V169 H171 E172V169-K249 PolarHBondContact O-N 3.33Å; H171-K249 PolarHBondContact O-N 3.06Å; E172-K249 VanDerWaalsContact CD-CE 3.46Å; E172-K249 WeakPolarHBondContact OE1-CE 3.22Å; E172-K249 IonicContact OE1-NZ 2.75Å; E172-K249 PolarHBondContact OE1-NZ 3.41Å
250C95Very high95Very high3 Ų361 Ų612%0.0229%0.286CS..  trans-128.7153.2-175.878.30000112.6V169 K170 E247 Y248 L287 S288V169-C250 CarbonylContact C-O 3.56Å; V169-C250 PolarHBondContact O-N 3.39Å; K170-C250 WeakPolarHBondContact CA-O 3.47Å; K170-C250 VanDerWaalsContact CG-O 3.28Å; K170-C250 WeakPolarHBondContact CG-O 3.27Å; K170-C250 PolarHBondContact N-O 2.87Å; E247-C250 PolarHBondContact O-SG 2.89Å; Y248-C250 PolarHBondContact O-N 3.1Å; Y248-C250 VanDerWaalsContact O-N 3.15Å; C250-L287 HydrophobicContact CB-CB 4.3Å; C250-L287 HydrophobicContact CB-CD1 4.38Å; C250-S288 WeakPolarHBondContact CA-OG 3.37Å
251A94.5Very high95.3Very high28 Ų2852.8 Ų52.823%0.23125%0.248CC..  trans-128.2150.8169.100000109.4K170 K253 L287 S288K170-A251 HydrophobicContact CG-CB 4.34Å; A251-K253 PolarHBondContact O-N 2.82Å; A251-L287 CarbonylContact O-C 3.6Å; A251-L287 VanDerWaalsContact O-CA 3.31Å; A251-L287 WeakPolarHBondContact O-CA 3.43Å; A251-S288 PolarHBondContact N-OG 3.12Å; A251-S288 PolarHBondContact O-N 2.84Å
252V96.1Very high95.4Very high33 Ų3352 Ų5220%0.225%0.25CC..EExtended strand (participates in β ladder)trans-67.3122.6168.5178.30000108.6I116 V147 V255 I285 L287I116-V252 HydrophobicContact CD1-CB 4.03Å; I116-V252 HydrophobicContact CD1-CG1 4.15Å; I116-V252 HydrophobicContact CD1-CG2 3.8Å; V147-V252 HydrophobicContact CB-CG2 4.42Å; V147-V252 HydrophobicContact CG1-CG2 3.91Å; V147-V252 HydrophobicContact CG2-CG2 3.61Å; V252-V255 HydrophobicContact CG1-CG2 4.07Å; V252-I285 HydrophobicContact CG1-CB 4.48Å; V252-I285 HydrophobicContact CG2-CD1 4.28Å; V252-L287 HydrophobicContact CG2-CD2 4.15Å
253K96Very high95.7Very high110 Ų11056.9 Ų56.948%0.47828%0.282SS..EExtended strand (participates in β ladder)trans-91.8-49.5175.8-178.3179.1173.2176.90110.6A251 R286 D290A251-K253 PolarHBondContact O-N 2.82Å; K253-R286 WeakPolarHBondContact CB-O 3.22Å; K253-R286 PolarHBondContact N-O 2.64Å; K253-D290 IonicContact NZ-OD1 3.41Å
254E96.3Very high95.7Very high65 Ų6558.7 Ų58.730%0.30430%0.295SS..EExtended strand (participates in β ladder)trans-142.7147.3-177.1-73.4158.4-140.900110.4L256 I285 R286E254-L256 HydrophobicContact CB-CD1 4.43Å; E254-L256 HydrophobicContact CB-CD2 4Å; E254-L256 HydrophobicContact CB-CG 4.06Å; E254-I285 WeakPolarHBondContact O-CA 3.35Å; E254-R286 HydrophobicContact CB-CB 4.24Å; E254-R286 PolarHBondContact N-O 3.12Å; E254-R286 PolarHBondContact O-N 3.27Å; E254-R286 IonicContact OE1-NH1 3.08Å
255V97.8Very high95.7Very high24 Ų2460.7 Ų60.715%0.14532%0.32CS..EExtended strand (participates in β ladder)trans-108.4125.8167.8-177.90000107.2A117 H119 V122 V252 V283 I285A117-V255 HydrophobicContact CB-CB 4.25Å; A117-V255 HydrophobicContact CB-CG2 3.6Å; H119-V255 HydrophobicContact CB-CG1 4.13Å; V122-V255 HydrophobicContact CG2-CG1 3.98Å; V122-V255 HydrophobicContact CG2-CG2 4.07Å; V252-V255 HydrophobicContact CG1-CG2 4.07Å; V255-V283 HydrophobicContact CG1-CG2 3.41Å; V255-V283 VanDerWaalsContact CG1-CG2 3.41Å; V255-I285 HydrophobicContact CG2-CG2 4.35Å
256L97.4Very high95.7Very high8 Ų860.2 Ų60.24%0.04232%0.318CS..EExtended strand (participates in β ladder)trans-131.3149.4-163.5-60.2173.6000111.6E254 Q260 L264 L266 Y284 R286E254-L256 HydrophobicContact CB-CD1 4.43Å; E254-L256 HydrophobicContact CB-CD2 4Å; E254-L256 HydrophobicContact CB-CG 4.06Å; L256-Q260 VanDerWaalsContact CA-OE1 3.32Å; L256-Q260 HydrophobicContact CB-CB 4.28Å; L256-Q260 HydrophobicContact CD2-CB 4.09Å; L256-L264 HydrophobicContact CD1-CD1 4.33Å; L256-L264 HydrophobicContact CD2-CD1 4.22Å; L256-L266 HydrophobicContact CD1-CD1 3.78Å; L256-Y284 PolarHBondContact N-O 2.77Å; L256-Y284 PolarHBondContact O-N 3.14Å; L256-R286 HydrophobicContact CD1-CB 4.15Å
257S95.5Very high95.5Very high32 Ų3265.6 Ų65.622%0.22435%0.348CS..  trans-83.8166.9162.489.60000111.3E259 Q260 C261S257-E259 VanDerWaalsContact C-N 3.29Å; S257-E259 WeakPolarHBondContact CB-OE2 3.33Å; S257-E259 PolarHBondContact O-N 2.97Å; S257-E259 PolarHBondContact OG-N 3.42Å; S257-E259 PolarHBondContact OG-OE2 3.2Å; S257-Q260 PolarHBondContact O-N 3.17Å; S257-Q260 PolarHBondContact OG-N 2.9Å; S257-C261 PolarHBondContact O-N 3.3Å; S257-C261 PolarHBondContact O-SG 2.73Å
258K94.1Very high95.4Very high61 Ų6167.4 Ų67.427%0.26536%0.356SS..Hα-helixtrans-57.9-42.4174.6-176.467.9-179.3-162.70112Q260 C261 L262 E279 Y284K258-Q260 VanDerWaalsContact C-N 3.3Å; K258-Q260 PolarHBondContact O-N 2.81Å; K258-C261 WeakPolarHBondContact O-CB 3.37Å; K258-C261 PolarHBondContact O-N 2.86Å; K258-L262 HydrophobicContact CG-CD1 4.38Å; K258-L262 WeakPolarHBondContact O-CG 3.42Å; K258-L262 PolarHBondContact O-N 3.02Å; K258-E279 PolarHBondContact NZ-O 2.99Å; K258-Y284 HydrophobicContact CB-CE2 3.95Å; K258-Y284 HydrophobicContact CD-CE2 3.7Å; K258-Y284 WeakPolarHBondContact CD-OH 3.28Å; K258-Y284 HydrophobicContact CG-CE2 4.44Å; K258-Y284 PolarHBondContact NZ-OH 3.15Å
259E95.5Very high95.3Very high125 Ų12567.3 Ų67.358%0.58436%0.358SS*.Hα-helixtrans-63.9-37.6179.5-59.371.2-15300111.5S257 L262 T263S257-E259 VanDerWaalsContact C-N 3.29Å; S257-E259 WeakPolarHBondContact CB-OE2 3.33Å; S257-E259 PolarHBondContact O-N 2.97Å; S257-E259 PolarHBondContact OG-N 3.42Å; S257-E259 PolarHBondContact OG-OE2 3.2Å; E259-L262 PolarHBondContact O-N 3.45Å; E259-T263 WeakPolarHBondContact O-CB 3.48Å; E259-T263 PolarHBondContact O-N 2.79Å; E259-T263 PolarHBondContact O-OG1 3.25Å
260Q96.7Very high95.1Very high91 Ų9169.1 Ų69.143%0.42537%0.366SS..Hα-helixtrans-67.1-43.3174.8-68.6175.7-48.900111.1L256 S257 K258 L262 T263 L264L256-Q260 VanDerWaalsContact CA-OE1 3.32Å; L256-Q260 HydrophobicContact CB-CB 4.28Å; L256-Q260 HydrophobicContact CD2-CB 4.09Å; S257-Q260 PolarHBondContact O-N 3.17Å; S257-Q260 PolarHBondContact OG-N 2.9Å; K258-Q260 VanDerWaalsContact C-N 3.3Å; K258-Q260 PolarHBondContact O-N 2.81Å; Q260-L262 VanDerWaalsContact C-N 3.33Å; Q260-L262 PolarHBondContact O-N 3.26Å; Q260-T263 PolarHBondContact O-N 3.41Å; Q260-L264 WeakPolarHBondContact O-CB 3.42Å; Q260-L264 VanDerWaalsContact O-CG 3.27Å; Q260-L264 WeakPolarHBondContact O-CG 3.18Å; Q260-L264 PolarHBondContact O-N 3.38Å
261C96.2Very high95Very high4 Ų470 Ų703%0.02737%0.371CS..Hα-helixtrans-56.7-46.7173.5-660000111.7S257 K258 T263 L264 G265 L266S257-C261 PolarHBondContact O-N 3.3Å; S257-C261 PolarHBondContact O-SG 2.73Å; K258-C261 WeakPolarHBondContact O-CB 3.37Å; K258-C261 PolarHBondContact O-N 2.86Å; C261-T263 PolarHBondContact O-N 3.37Å; C261-L264 CarbonylContact O-C 3.43Å; C261-L264 PolarHBondContact O-N 3.3Å; C261-G265 PolarHBondContact O-N 2.99Å; C261-L266 HydrophobicContact CB-CB 4.33Å; C261-L266 PolarHBondContact O-N 2.66Å
262L94.6Very high95Very high115 Ų11570.6 Ų70.660%0.60237%0.372SS*.Hα-helixtrans-62.6-43.5177.8-69.5172.5000112.3K258 E259 Q260 L264 G265K258-L262 HydrophobicContact CG-CD1 4.38Å; K258-L262 WeakPolarHBondContact O-CG 3.42Å; K258-L262 PolarHBondContact O-N 3.02Å; E259-L262 PolarHBondContact O-N 3.45Å; Q260-L262 VanDerWaalsContact C-N 3.33Å; Q260-L262 PolarHBondContact O-N 3.26Å; L262-L264 VanDerWaalsContact C-N 3.27Å; L262-L264 PolarHBondContact O-N 2.83Å; L262-G265 PolarHBondContact O-N 2.88Å; L262-G265 VanDerWaalsContact O-N 3.16Å
263T96.7Very high94.7Very high123 Ų12375.5 Ų75.576%0.75540%0.404SS*.Hα-helixtrans-62.9-36.5178.4-580000111.7E259 Q260 C261 G265E259-T263 WeakPolarHBondContact O-CB 3.48Å; E259-T263 PolarHBondContact O-N 2.79Å; E259-T263 PolarHBondContact O-OG1 3.25Å; Q260-T263 PolarHBondContact O-N 3.41Å; C261-T263 PolarHBondContact O-N 3.37Å; T263-G265 VanDerWaalsContact C-N 3.32Å
264L95.2Very high94.4Very high93 Ų9374.5 Ų74.549%0.48740%0.404SS..THydrogen-bonded Turntrans-85.6-1.8178.8-65172.6000113.4L256 Q260 C261 L262 L266L256-L264 HydrophobicContact CD1-CD1 4.33Å; L256-L264 HydrophobicContact CD2-CD1 4.22Å; Q260-L264 WeakPolarHBondContact O-CB 3.42Å; Q260-L264 VanDerWaalsContact O-CG 3.27Å; Q260-L264 WeakPolarHBondContact O-CG 3.18Å; Q260-L264 PolarHBondContact O-N 3.38Å; C261-L264 CarbonylContact O-C 3.43Å; C261-L264 PolarHBondContact O-N 3.3Å; L262-L264 VanDerWaalsContact C-N 3.27Å; L262-L264 PolarHBondContact O-N 2.83Å; L264-L266 HydrophobicContact CB-CD1 3.81Å; L264-L266 HydrophobicContact CB-CG 3.77Å; L264-L266 HydrophobicContact CD1-CD1 3.93Å; L264-L266 PolarHBondContact O-N 3.08Å
265G94.5Very high94.4Very high60 Ų6072.1 Ų72.162%0.61939%0.393SS*.THydrogen-bonded Turntrans65.626.3-176.700000113.8C261 L262 T263C261-G265 PolarHBondContact O-N 2.99Å; L262-G265 PolarHBondContact O-N 2.88Å; L262-G265 VanDerWaalsContact O-N 3.16Å; T263-G265 VanDerWaalsContact C-N 3.32Å
266L94.9Very high94.1Very high33 Ų3373 Ų7317%0.17340%0.396CS..  trans-91134.3-178.7-61.7174.6000110.7L256 C261 L264 V292L256-L266 HydrophobicContact CD1-CD1 3.78Å; C261-L266 HydrophobicContact CB-CB 4.33Å; C261-L266 PolarHBondContact O-N 2.66Å; L264-L266 HydrophobicContact CB-CD1 3.81Å; L264-L266 HydrophobicContact CB-CG 3.77Å; L264-L266 HydrophobicContact CD1-CD1 3.93Å; L264-L266 PolarHBondContact O-N 3.08Å; L266-V292 HydrophobicContact CB-CG2 4.11Å; L266-V292 HydrophobicContact CD1-CG2 4.18Å; L266-V292 HydrophobicContact CD2-CG2 4.47Å; L266-V292 HydrophobicContact CG-CG2 4.49Å
267N92.6Very high93.8Very high136 Ų13681 Ų8173%0.72743%0.434SS*.  trans-110.9148.5174.5-63.9-60.1000110
268E93.1Very high93.5Very high59 Ų5983.7 Ų83.728%0.27644%0.439SS..  trans-62.3136.3173.3-170.3173169.500110R143 W281 Y284 V292R143-E268 IonicContact NH1-OE1 2.83Å; R143-E268 PolarHBondContact NH1-OE1 2.78Å; E268-W281 PolarHBondContact OE1-NE1 3.11Å; E268-W281 PolarHBondContact OE2-NE1 2.93Å; E268-Y284 HydrophobicContact CB-CE1 4.43Å; E268-Y284 HydrophobicContact CG-CE1 4.49Å; E268-V292 CarbonylContact C-O 3.52Å; E268-V292 WeakPolarHBondContact CA-O 3.41Å
269E92.8Very high93.1Very high80 Ų8089.4 Ų89.437%0.37447%0.467SS..  trans-65.5145.6178.2179.759-162.100110.5L271 N291 V292E269-L271 PolarHBondContact O-N 2.94Å; E269-L271 VanDerWaalsContact O-N 3.14Å; E269-N291 HydrophobicContact CB-CB 4.11Å; E269-N291 HydrophobicContact CG-CB 4.08Å; E269-V292 WeakPolarHBondContact CB-O 3.46Å; E269-V292 PolarHBondContact N-O 3.48Å
270K90.8Very high93Very high169 Ų16986.9 Ų86.974%0.73546%0.46SS*.  trans-76.3106.2177.6-170.8177.5-178.2178.80110.4
271L94.1Very high93Very high22 Ų2282.8 Ų82.812%0.11544%0.441CS..  trans-76.6168.8175.9-66.7170.8000112.3R143 I166 E269 F275R143-L271 VanDerWaalsContact NH1-CD1 3.28Å; I166-L271 HydrophobicContact CD1-CD1 3.57Å; I166-L271 HydrophobicContact CD1-CD2 3.75Å; I166-L271 HydrophobicContact CD1-CG 4.33Å; I166-L271 HydrophobicContact CG1-CD2 4.4Å; E269-L271 PolarHBondContact O-N 2.94Å; E269-L271 VanDerWaalsContact O-N 3.14Å; L271-F275 HydrophobicContact CB-CB 4.03Å; L271-F275 HydrophobicContact CB-CD1 4.44Å; L271-F275 HydrophobicContact CB-CG 4.26Å; L271-F275 HydrophobicContact CD1-CD1 4.05Å
272P93.1Very high93.1Very high39 Ų3985.9 Ų85.925%0.25346%0.461SS..  trans-50.5144.6174.3-30.137.8000112.7H245 D274 F275H245-P272 HydrophobicContact CB-CG 4.39Å; P272-D274 VanDerWaalsContact CB-OD1 3.24Å; P272-D274 WeakPolarHBondContact CB-OD1 3.42Å; P272-D274 PolarHBondContact O-N 2.75Å; P272-F275 HydrophobicContact CB-CD2 4.01Å; P272-F275 HydrophobicContact CB-CE2 4.39Å; P272-F275 HydrophobicContact CG-CD2 4.32Å; P272-F275 HydrophobicContact CG-CE2 4.37Å; P272-F275 WeakPolarHBondContact O-CB 3.47Å; P272-F275 PolarHBondContact O-N 3.27Å
273P91Very high93.3Very high136 Ų13680.4 Ų80.488%0.88343%0.432SS*.THydrogen-bonded Turntrans-61.1-17.1-170-24.734000115.9
274D89.9Confident93.4Very high89 Ų8974.8 Ų74.848%0.47640%0.397SS..THydrogen-bonded Turntrans-85.8-9.3177.860.5-39.4000113.3R243 P272R243-D274 WeakPolarHBondContact CD-OD2 3.39Å; R243-D274 PolarHBondContact NE-O 3.45Å; R243-D274 PolarHBondContact NH1-O 3.42Å; R243-D274 PolarHBondContact NH2-O 3.33Å; R243-D274 VanDerWaalsContact NH2-O 3.12Å; P272-D274 VanDerWaalsContact CB-OD1 3.24Å; P272-D274 WeakPolarHBondContact CB-OD1 3.42Å; P272-D274 PolarHBondContact O-N 2.75Å
275F95.2Very high93.5Very high15 Ų1570.3 Ų70.37%0.06637%0.374CS..SBendtrans-77149.6172.8-81.5-122000111.5E164 I166 R243 H245 L271 P272E164-F275 HydrophobicContact CB-CD1 3.91Å; E164-F275 HydrophobicContact CB-CE1 3.7Å; E164-F275 HydrophobicContact CB-CZ 4.49Å; E164-F275 VanDerWaalsContact CD-CD1 3.45Å; E164-F275 HydrophobicContact CG-CD1 3.67Å; E164-F275 HydrophobicContact CG-CE1 3.77Å; E164-F275 HydrophobicContact CG-CG 4.17Å; E164-F275 HydrophobicContact CG-CZ 4.35Å; E164-F275 VanDerWaalsContact OE1-CA 3.25Å; E164-F275 WeakPolarHBondContact OE1-CA 3.4Å; E164-F275 WeakPolarHBondContact OE2-CD1 3.42Å; I166-F275 HydrophobicContact CD1-CE1 4.46Å; I166-F275 HydrophobicContact CG1-CE1 3.98Å; R243-F275 HydrophobicContact CB-CD2 4.47Å; R243-F275 HydrophobicContact CB-CE2 3.78Å; R243-F275 HydrophobicContact CB-CZ 3.94Å; H245-F275 HydrophobicContact CB-CE1 4.03Å; H245-F275 HydrophobicContact CB-CE2 4Å; H245-F275 HydrophobicContact CB-CZ 3.46Å; H245-F275 VanDerWaalsContact CB-CZ 3.46Å; L271-F275 HydrophobicContact CB-CB 4.03Å; L271-F275 HydrophobicContact CB-CD1 4.44Å; L271-F275 HydrophobicContact CB-CG 4.26Å; L271-F275 HydrophobicContact CD1-CD1 4.05Å; P272-F275 HydrophobicContact CB-CD2 4.01Å; P272-F275 HydrophobicContact CB-CE2 4.39Å; P272-F275 HydrophobicContact CG-CD2 4.32Å; P272-F275 HydrophobicContact CG-CE2 4.37Å; P272-F275 WeakPolarHBondContact O-CB 3.47Å; P272-F275 PolarHBondContact O-N 3.27Å
276I93.3Very high93.6Very high42 Ų4269.6 Ų69.622%0.21535%0.352CS..PPolyproline II helixtrans-71.4136.4-18065.9171.7000111.6R142 R143 E164 R278 W281R142-I276 HydrophobicContact CB-CD1 3.68Å; R142-I276 HydrophobicContact CG-CD1 4.32Å; R143-I276 PolarHBondContact NH2-O 3.44Å; E164-I276 WeakPolarHBondContact OE1-CG2 3.43Å; E164-I276 PolarHBondContact OE1-N 2.92Å; E164-I276 PolarHBondContact OE2-N 3.41Å; I276-R278 HydrophobicContact CD1-CG 4.15Å; I276-R278 HydrophobicContact CG1-CG 4.47Å; I276-W281 HydrophobicContact CD1-CH2 3.77Å; I276-W281 HydrophobicContact CD1-CZ2 4.25Å; I276-W281 HydrophobicContact CG1-CH2 4Å; I276-W281 HydrophobicContact CG1-CZ2 4.08Å
277E90.2Very high93.8Very high177 Ų17768 Ų6883%0.82734%0.344SS*.PPolyproline II helixtrans-92.6135.4167.3-66.7-174.8177.700109.7
278R89Confident93.9Very high88 Ų8864.6 Ų64.633%0.33233%0.331SS..  trans-140.2150.4177.6-70.2-175.868.6-173.4-1.3110I276 W281 D296I276-R278 HydrophobicContact CD1-CG 4.15Å; I276-R278 HydrophobicContact CG1-CG 4.47Å; R278-W281 HydrophobicContact CB-CZ2 4.2Å; R278-W281 HydrophobicContact CG-CH2 4.46Å; R278-W281 HydrophobicContact CG-CZ2 4.06Å; R278-W281 VanDerWaalsContact NH1-CZ3 3.35Å; R278-D296 IonicContact NH1-OD1 3.26Å; R278-D296 PolarHBondContact NH1-OD1 2.66Å
279E85.2Confident94Very high182 Ų18264.8 Ų64.885%0.8533%0.334SS*.SBendtrans-67.1-39.5177.7-64.8-173.3166.800112.7K258K258-E279 PolarHBondContact NZ-O 2.99Å
280T94.3Very high94Very high72 Ų7265 Ų6544%0.44234%0.338SS..  trans-145.6148.6-177-163.20000112.7Y284T280-Y284 WeakPolarHBondContact CA-OH 3.42Å
281W97.4Very high94.3Very high5 Ų558.5 Ų58.52%0.01931%0.31CS..  trans-122.6149.9173.2-67.4102.2000110.2R142 R143 E268 I276 R278 V283 Y284 G294 D296R142-W281 HydrophobicContact CB-CH2 4.36Å; R142-W281 HydrophobicContact CB-CZ3 4.38Å; R143-W281 HydrophobicContact CB-CH2 3.41Å; R143-W281 VanDerWaalsContact CB-CH2 3.41Å; R143-W281 HydrophobicContact CB-CZ2 4.21Å; R143-W281 HydrophobicContact CB-CZ3 3.66Å; R143-W281 HydrophobicContact CG-CH2 4.41Å; E268-W281 PolarHBondContact OE1-NE1 3.11Å; E268-W281 PolarHBondContact OE2-NE1 2.93Å; I276-W281 HydrophobicContact CD1-CH2 3.77Å; I276-W281 HydrophobicContact CD1-CZ2 4.25Å; I276-W281 HydrophobicContact CG1-CH2 4Å; I276-W281 HydrophobicContact CG1-CZ2 4.08Å; R278-W281 HydrophobicContact CB-CZ2 4.2Å; R278-W281 HydrophobicContact CG-CH2 4.46Å; R278-W281 HydrophobicContact CG-CZ2 4.06Å; R278-W281 VanDerWaalsContact NH1-CZ3 3.35Å; W281-V283 PolarHBondContact O-N 2.96Å; W281-Y284 HydrophobicContact CB-CE1 4.4Å; W281-Y284 HydrophobicContact CB-CE2 3.98Å; W281-Y284 AromaticContact CD1-CZ 3.96Å; W281-Y284 PolarHBondContact N-OH 3.01Å; W281-Y284 VanDerWaalsContact N-OH 3.14Å; W281-Y284 WeakPolarHBondContact O-CE2 3.48Å; W281-G294 VanDerWaalsContact CD1-CA 3.47Å; W281-G294 VanDerWaalsContact CG-C 3.46Å; W281-D296 WeakPolarHBondContact CZ3-OD2 3.41Å
282P97.5Very high94.4Very high69 Ų6957.6 Ų57.645%0.44831%0.306SS..SBendtrans-56.5-34.8175.4-27.635000114.3C295P282-C295 WeakPolarHBondContact CD-O 3.2Å
283V98.3Very high94.6Very high0 Ų055.8 Ų55.80%029%0.294CS..EExtended strand (participates in β ladder)trans-143147.2179.765.50000111N121 V255 W281 G294 C295 V298N121-V283 HydrophobicContact CB-CB 3.74Å; N121-V283 HydrophobicContact CB-CG1 3.7Å; N121-V283 HydrophobicContact CB-CG2 4.19Å; V255-V283 HydrophobicContact CG1-CG2 3.41Å; V255-V283 VanDerWaalsContact CG1-CG2 3.41Å; W281-V283 PolarHBondContact O-N 2.96Å; V283-G294 WeakPolarHBondContact O-CA 3.28Å; V283-C295 WeakPolarHBondContact CG1-O 3.49Å; V283-C295 PolarHBondContact N-O 2.74Å; V283-C295 PolarHBondContact O-N 3.09Å; V283-C295 VanDerWaalsContact O-O 3.1Å; V283-V298 HydrophobicContact CG1-CG2 4.19Å
284Y98.4Very high95Very high4 Ų449.3 Ų49.32%0.01625%0.252CS..EExtended strand (participates in β ladder)trans-119.7145173-69-94.8000109.7L256 K258 E268 T280 W281 V292 V293L256-Y284 PolarHBondContact N-O 2.77Å; L256-Y284 PolarHBondContact O-N 3.14Å; K258-Y284 HydrophobicContact CB-CE2 3.95Å; K258-Y284 HydrophobicContact CD-CE2 3.7Å; K258-Y284 WeakPolarHBondContact CD-OH 3.28Å; K258-Y284 HydrophobicContact CG-CE2 4.44Å; K258-Y284 PolarHBondContact NZ-OH 3.15Å; E268-Y284 HydrophobicContact CB-CE1 4.43Å; E268-Y284 HydrophobicContact CG-CE1 4.49Å; T280-Y284 WeakPolarHBondContact CA-OH 3.42Å; W281-Y284 HydrophobicContact CB-CE1 4.4Å; W281-Y284 HydrophobicContact CB-CE2 3.98Å; W281-Y284 AromaticContact CD1-CZ 3.96Å; W281-Y284 PolarHBondContact N-OH 3.01Å; W281-Y284 VanDerWaalsContact N-OH 3.14Å; W281-Y284 WeakPolarHBondContact O-CE2 3.48Å; Y284-V292 HydrophobicContact CD1-CG1 4.03Å; Y284-V293 CarbonylContact C-O 3.55Å; Y284-V293 VanDerWaalsContact CA-O 3.29Å; Y284-V293 WeakPolarHBondContact CA-O 3.5Å
285I97.7Very high95.3Very high0 Ų045 Ų450%023%0.229CC..EExtended strand (participates in β ladder)trans-116.3135.6169.860.8171.6000109.6V145 V252 E254 V255 L287 V292 V293 V298V145-I285 HydrophobicContact CB-CD1 3.84Å; V145-I285 HydrophobicContact CG1-CD1 3.23Å; V145-I285 HydrophobicContact CG2-CD1 3.62Å; V145-I285 HydrophobicContact CG2-CG1 4.21Å; V252-I285 HydrophobicContact CG1-CB 4.48Å; V252-I285 HydrophobicContact CG2-CD1 4.28Å; E254-I285 WeakPolarHBondContact O-CA 3.35Å; V255-I285 HydrophobicContact CG2-CG2 4.35Å; I285-L287 HydrophobicContact CD1-CD2 3.9Å; I285-L287 HydrophobicContact CD1-CG 4.48Å; I285-V292 CarbonylContact O-C 3.48Å; I285-V292 VanDerWaalsContact O-CA 3.27Å; I285-V292 WeakPolarHBondContact O-CA 3.49Å; I285-V293 HydrophobicContact CG1-CB 3.96Å; I285-V293 PolarHBondContact N-O 2.94Å; I285-V293 PolarHBondContact O-N 3.37Å; I285-V298 HydrophobicContact CG2-CG2 3.52Å
286R97.8Very high95.5Very high44 Ų4445.5 Ų45.517%0.16623%0.232CC..EExtended strand (participates in β ladder)trans-96.6122.6166.1-177.2-179.5179.2171.39.4108.3K253 E254 L256 D290 V292K253-R286 WeakPolarHBondContact CB-O 3.22Å; K253-R286 PolarHBondContact N-O 2.64Å; E254-R286 HydrophobicContact CB-CB 4.24Å; E254-R286 PolarHBondContact N-O 3.12Å; E254-R286 PolarHBondContact O-N 3.27Å; E254-R286 IonicContact OE1-NH1 3.08Å; L256-R286 HydrophobicContact CD1-CB 4.15Å; R286-D290 IonicContact CZ-OD1 2.64Å; R286-D290 VanDerWaalsContact CZ-OD1 3.23Å; R286-D290 IonicContact NE-OD1 2.72Å; R286-D290 PolarHBondContact NE-OD1 3.47Å; R286-D290 IonicContact NH2-OD1 3.12Å; R286-D290 PolarHBondContact NH2-OD1 2.91Å; R286-V292 HydrophobicContact CB-CG2 4.18Å; R286-V292 HydrophobicContact CG-CG2 4.15Å
287L97.4Very high95.7Very high0 Ų043.7 Ų43.70%022%0.223CC..EExtended strand (participates in β ladder)trans-86.1165.1176.2-63.7178.1000110.8A168 E247 C250 A251 V252 I285 N289 D290 N291A168-L287 HydrophobicContact CB-CD2 4.07Å; E247-L287 HydrophobicContact CB-CD1 3.97Å; E247-L287 HydrophobicContact CG-CD1 3.91Å; C250-L287 HydrophobicContact CB-CB 4.3Å; C250-L287 HydrophobicContact CB-CD1 4.38Å; A251-L287 CarbonylContact O-C 3.6Å; A251-L287 VanDerWaalsContact O-CA 3.31Å; A251-L287 WeakPolarHBondContact O-CA 3.43Å; V252-L287 HydrophobicContact CG2-CD2 4.15Å; I285-L287 HydrophobicContact CD1-CD2 3.9Å; I285-L287 HydrophobicContact CD1-CG 4.48Å; L287-N289 WeakPolarHBondContact CB-OD1 3.27Å; L287-N289 PolarHBondContact O-N 2.96Å; L287-D290 WeakPolarHBondContact O-CA 3.36Å; L287-D290 PolarHBondContact O-N 3.13Å; L287-N291 HydrophobicContact CD1-CB 4.37Å; L287-N291 PolarHBondContact N-O 2.79Å
288S96.5Very high96.1Very high64 Ų6435.2 Ų35.245%0.44818%0.183SC..THydrogen-bonded Turntrans-70-15.4-179.260.50000113.9C250 A251C250-S288 WeakPolarHBondContact CA-OG 3.37Å; A251-S288 PolarHBondContact N-OG 3.12Å; A251-S288 PolarHBondContact O-N 2.84Å
289N94.3Very high96.5Very high64 Ų6431 Ų3134%0.34217%0.168SC..THydrogen-bonded Turntrans-86.710.516862.2-3.4000112.3L287 N291L287-N289 WeakPolarHBondContact CB-OD1 3.27Å; L287-N289 PolarHBondContact O-N 2.96Å; N289-N291 PolarHBondContact ND2-ND2 3.25Å; N289-N291 PolarHBondContact O-N 3.03Å; N289-N291 WeakPolarHBondContact OD1-CB 3.31Å; N289-N291 PolarHBondContact OD1-N 3.49Å
290D93.3Very high97.1Very high85 Ų8522.4 Ų22.446%0.45513%0.128SC..SBendtrans67-0.5-177.1-67.8-50.7000116.3K253 R286 L287 V292K253-D290 IonicContact NZ-OD1 3.41Å; R286-D290 IonicContact CZ-OD1 2.64Å; R286-D290 VanDerWaalsContact CZ-OD1 3.23Å; R286-D290 IonicContact NE-OD1 2.72Å; R286-D290 PolarHBondContact NE-OD1 3.47Å; R286-D290 IonicContact NH2-OD1 3.12Å; R286-D290 PolarHBondContact NH2-OD1 2.91Å; L287-D290 WeakPolarHBondContact O-CA 3.36Å; L287-D290 PolarHBondContact O-N 3.13Å; D290-V292 PolarHBondContact O-N 3.06Å
291N96Very high97.1Very high31 Ų3119.4 Ų19.417%0.16611%0.11CC..  trans-60.4137.6170.1-67.33000109.8E269 L287 N289E269-N291 HydrophobicContact CB-CB 4.11Å; E269-N291 HydrophobicContact CG-CB 4.08Å; L287-N291 HydrophobicContact CD1-CB 4.37Å; L287-N291 PolarHBondContact N-O 2.79Å; N289-N291 PolarHBondContact ND2-ND2 3.25Å; N289-N291 PolarHBondContact O-N 3.03Å; N289-N291 WeakPolarHBondContact OD1-CB 3.31Å; N289-N291 PolarHBondContact OD1-N 3.49Å
292V97.4Very high96.9Very high3 Ų321.6 Ų21.62%0.01812%0.124CC..EExtended strand (participates in β ladder)trans-114.3128.8176.2177.70000109.6L266 E268 E269 Y284 I285 R286 D290L266-V292 HydrophobicContact CB-CG2 4.11Å; L266-V292 HydrophobicContact CD1-CG2 4.18Å; L266-V292 HydrophobicContact CD2-CG2 4.47Å; L266-V292 HydrophobicContact CG-CG2 4.49Å; E268-V292 CarbonylContact C-O 3.52Å; E268-V292 WeakPolarHBondContact CA-O 3.41Å; E269-V292 WeakPolarHBondContact CB-O 3.46Å; E269-V292 PolarHBondContact N-O 3.48Å; Y284-V292 HydrophobicContact CD1-CG1 4.03Å; I285-V292 CarbonylContact O-C 3.48Å; I285-V292 VanDerWaalsContact O-CA 3.27Å; I285-V292 WeakPolarHBondContact O-CA 3.49Å; R286-V292 HydrophobicContact CB-CG2 4.18Å; R286-V292 HydrophobicContact CG-CG2 4.15Å; D290-V292 PolarHBondContact O-N 3.06Å
293V97Very high96.6Very high1 Ų120.1 Ų20.11%0.00612%0.121CC..EExtended strand (participates in β ladder)trans-125.4125.2-175.9173.10000109.5V145 I166 Y284 I285V145-V293 HydrophobicContact CG2-CG1 3.88Å; I166-V293 HydrophobicContact CB-CG1 4.37Å; I166-V293 HydrophobicContact CD1-CB 4.45Å; I166-V293 HydrophobicContact CD1-CG1 3.16Å; I166-V293 HydrophobicContact CG1-CG1 4.33Å; I166-V293 HydrophobicContact CG2-CG1 4.23Å; I166-V293 HydrophobicContact CG2-CG2 4.5Å; Y284-V293 CarbonylContact C-O 3.55Å; Y284-V293 VanDerWaalsContact CA-O 3.29Å; Y284-V293 WeakPolarHBondContact CA-O 3.5Å; I285-V293 HydrophobicContact CG1-CB 3.96Å; I285-V293 PolarHBondContact N-O 2.94Å; I285-V293 PolarHBondContact O-N 3.37Å
294G97.9Very high96.4Very high0 Ų021.8 Ų21.80%013%0.131CC..EExtended strand (participates in β ladder)trans-89.5142.5171.900000111.9R143 W281 V283R143-G294 WeakPolarHBondContact CD-O 3.24Å; R143-G294 PolarHBondContact NH1-O 3.35Å; R143-G294 VanDerWaalsContact NH1-O 3.15Å; W281-G294 VanDerWaalsContact CD1-CA 3.47Å; W281-G294 VanDerWaalsContact CG-C 3.46Å; V283-G294 WeakPolarHBondContact O-CA 3.28Å
295C98.3Very high96.2Very high0 Ų023.8 Ų23.80%014%0.144CC..EExtended strand (participates in β ladder)trans-155.2170.7177.162.70000112.1R143 V145 P282 V283 F297R143-C295 HydrophobicContact CB-CB 4.44Å; R143-C295 HydrophobicContact CG-CB 4.06Å; R143-C295 WeakPolarHBondContact O-CB 3.23Å; V145-C295 HydrophobicContact CG2-CB 3.9Å; V145-C295 VanDerWaalsContact CG2-SG 3.58Å; P282-C295 WeakPolarHBondContact CD-O 3.2Å; V283-C295 WeakPolarHBondContact CG1-O 3.49Å; V283-C295 PolarHBondContact N-O 2.74Å; V283-C295 PolarHBondContact O-N 3.09Å; V283-C295 VanDerWaalsContact O-O 3.1Å; C295-F297 PolarHBondContact SG-O 3.01Å; C295-F297 VanDerWaalsContact SG-O 3.38Å
296D98.4Very high96.1Very high24 Ų2424 Ų2413%0.12815%0.145CC..SBendtrans-73.5-38.6176.7-61.6-64000111.8N121 A141 R142 R143 R278 W281N121-D296 PolarHBondContact ND2-O 2.75Å; A141-D296 WeakPolarHBondContact CA-OD2 3.4Å; A141-D296 HydrophobicContact CB-CB 3.94Å; R142-D296 PolarHBondContact N-OD2 2.98Å; R143-D296 PolarHBondContact N-OD2 2.71Å; R143-D296 PolarHBondContact O-N 3.48Å; R278-D296 IonicContact NH1-OD1 3.26Å; R278-D296 PolarHBondContact NH1-OD1 2.66Å; W281-D296 WeakPolarHBondContact CZ3-OD2 3.41Å
297F98.2Very high96Very high4 Ų422.3 Ų22.32%0.01814%0.14CC..EExtended strand (participates in β ladder)trans-161.8166.1170.366-86.5000111.9N121 I123 F134 R137 L138 A141 I144 V145 C295 V299N121-F297 HydrophobicContact CB-CB 4.31Å; N121-F297 CarbonylContact O-C 3.35Å; N121-F297 WeakPolarHBondContact O-CA 3.28Å; N121-F297 WeakPolarHBondContact O-CB 3.08Å; I123-F297 HydrophobicContact CD1-CD2 3.84Å; I123-F297 HydrophobicContact CD1-CE2 3.62Å; I123-F297 HydrophobicContact CG1-CD2 4.03Å; I123-F297 HydrophobicContact CG1-CE2 4.2Å; F134-F297 AromaticContact CD2-CE2 3.71Å; F134-F297 HydrophobicContact CD2-CE2 3.71Å; F134-F297 AromaticContact CD2-CZ 3.78Å; F134-F297 HydrophobicContact CD2-CZ 3.78Å; F134-F297 AromaticContact CE2-CE2 3.82Å; F134-F297 HydrophobicContact CE2-CE2 3.82Å; F134-F297 AromaticContact CE2-CZ 3.79Å; F134-F297 HydrophobicContact CE2-CZ 3.79Å; R137-F297 HydrophobicContact CB-CD1 3.95Å; R137-F297 HydrophobicContact CB-CE1 3.55Å; R137-F297 HydrophobicContact CB-CZ 3.89Å; L138-F297 HydrophobicContact CB-CZ 4.37Å; A141-F297 HydrophobicContact CB-CD1 4.28Å; A141-F297 HydrophobicContact CB-CE1 3.74Å; I144-F297 WeakPolarHBondContact CA-O 3.3Å; I144-F297 HydrophobicContact CG2-CD1 3.99Å; I144-F297 HydrophobicContact CG2-CD2 4.38Å; I144-F297 HydrophobicContact CG2-CE1 3.52Å; I144-F297 HydrophobicContact CG2-CE2 3.95Å; I144-F297 HydrophobicContact CG2-CG 4.4Å; I144-F297 HydrophobicContact CG2-CZ 3.51Å; V145-F297 PolarHBondContact N-O 3.45Å; C295-F297 PolarHBondContact SG-O 3.01Å; C295-F297 VanDerWaalsContact SG-O 3.38Å; F297-V299 HydrophobicContact CD2-CG2 4.11Å; F297-V299 HydrophobicContact CE2-CG2 3.63Å
298V98.5Very high95.9Very high0 Ų022.8 Ų22.80%014%0.142CC..EExtended strand (participates in β ladder)trans-110.5133.4-179.7-174.90000109.7I116 N121 V122 I123 V145 V147 V283 I285I116-V298 HydrophobicContact CD1-CG1 3.99Å; N121-V298 PolarHBondContact O-N 2.6Å; V122-V298 WeakPolarHBondContact CA-O 3.34Å; V122-V298 HydrophobicContact CG2-CB 4.11Å; V122-V298 HydrophobicContact CG2-CG2 4.43Å; I123-V298 PolarHBondContact N-O 2.94Å; V145-V298 HydrophobicContact CB-CG1 4.3Å; V145-V298 HydrophobicContact CB-CG2 4.38Å; V145-V298 HydrophobicContact CG1-CG1 4.44Å; V145-V298 CarbonylContact O-C 3.51Å; V145-V298 WeakPolarHBondContact O-CA 3.27Å; V147-V298 HydrophobicContact CG2-CG1 3.67Å; V283-V298 HydrophobicContact CG1-CG2 4.19Å; I285-V298 HydrophobicContact CG2-CG2 3.52Å
299V97.7Very high95.7Very high0 Ų022.6 Ų22.60%015%0.15CC..EExtended strand (participates in β ladder)trans-99.6115.4171.1-1760000109.9I123 I125 F134 V145 V146 V147 I156 F297 A301I123-V299 HydrophobicContact CG1-CG2 4.36Å; I123-V299 CarbonylContact O-C 3.58Å; I123-V299 WeakPolarHBondContact O-CA 3.34Å; I125-V299 HydrophobicContact CD1-CG1 3.61Å; I125-V299 HydrophobicContact CD1-CG2 4.31Å; I125-V299 HydrophobicContact CG1-CG1 4Å; F134-V299 HydrophobicContact CD2-CG2 4.13Å; F134-V299 HydrophobicContact CE2-CG2 3.78Å; V145-V299 PolarHBondContact O-N 2.85Å; V146-V299 HydrophobicContact CG2-CB 4.41Å; V147-V299 PolarHBondContact N-O 2.76Å; I156-V299 HydrophobicContact CD1-CG1 3.84Å; F297-V299 HydrophobicContact CD2-CG2 4.11Å; F297-V299 HydrophobicContact CE2-CG2 3.63Å; V299-A301 PolarHBondContact O-N 3.12Å
300S97Very high95.6Very high1 Ų121.6 Ų21.61%0.00715%0.147CC..EExtended strand (participates in β ladder)trans-8792.3175-170.60000110.6K114 I116 I123K114-S300 PolarHBondContact O-OG 2.87Å; I116-S300 WeakPolarHBondContact CG2-OG 3.18Å; I116-S300 PolarHBondContact N-OG 3.11Å; I116-S300 VanDerWaalsContact N-OG 3.08Å; I123-S300 WeakPolarHBondContact O-CB 3.01Å; I123-S300 PolarHBondContact O-N 3.03Å
301A94.6Very high95.8Very high9 Ų917.9 Ų17.97%0.07413%0.126CC..  trans-10745177.800000111.2V147 G148 I152 A153 V299V147-A301 CarbonylContact O-C 3.51Å; V147-A301 VanDerWaalsContact O-C 3.31Å; V147-A301 WeakPolarHBondContact O-CA 3.25Å; V147-A301 PolarHBondContact O-N 3.48Å; G148-A301 WeakPolarHBondContact CA-O 3.24Å; I152-A301 HydrophobicContact CB-CB 4.37Å; I152-A301 HydrophobicContact CG2-CB 4Å; A153-A301 HydrophobicContact CB-CB 3.78Å; V299-A301 PolarHBondContact O-N 3.12Å
302T92.9Very high95.8Very high50 Ų5019 Ų1931%0.30713%0.134SC..SBendtrans-96.314-171.4640000114.8K114 I116 V147K114-T302 PolarHBondContact O-OG1 2.8Å; I116-T302 HydrophobicContact CG2-CG2 3.63Å; V147-T302 HydrophobicContact CB-CG2 4.44Å; V147-T302 HydrophobicContact CG1-CG2 3.87Å; V147-T302 WeakPolarHBondContact O-CG2 3.08Å
303G91.5Very high95.7Very high38 Ų3821.1 Ų21.139%0.39215%0.147SC..  trans112-164.8-176.200000111.9K114K114-G303 VanDerWaalsContact CB-O 3.28Å; K114-G303 WeakPolarHBondContact CB-O 3.2Å; K114-G303 PolarHBondContact N-O 3.19Å
304V92.6Very high95.4Very high36 Ų3626.4 Ų26.422%0.21819%0.191CC..EExtended strand (participates in β ladder)trans-138.7151.5-165.2-54.70000109.6R112 R360R112-V304 CarbonylContact O-C 3.05Å; R112-V304 VanDerWaalsContact O-CA 3.28Å; R112-V304 WeakPolarHBondContact O-CA 3.18Å; V304-R360 HydrophobicContact CG2-CB 4.11Å
305V94.4Very high95.2Very high45 Ų4529.8 Ų29.827%0.27321%0.207SC..EExtended strand (participates in β ladder)trans-116.6128.4-179.8-177.80000108.6G111 R112 K114 N307G111-V305 CarbonylContact C-O 3.59Å; G111-V305 WeakPolarHBondContact CA-O 3.43Å; R112-V305 HydrophobicContact CG-CB 4.22Å; R112-V305 PolarHBondContact N-O 3.25Å; R112-V305 PolarHBondContact O-N 3Å; K114-V305 HydrophobicContact CB-CG2 4.05Å; K114-V305 HydrophobicContact CG-CG2 4.2Å; V305-N307 PolarHBondContact O-N 2.71Å
306P96.6Very high95.1Very high4 Ų429.9 Ų29.93%0.02621%0.207CC..EExtended strand (participates in β ladder)trans-54.1136.3176.7-30.539.6000113.4R112 V308 D323 D344R112-P306 PolarHBondContact NH1-O 3.29Å; R112-P306 VanDerWaalsContact NH1-O 3.17Å; P306-V308 VanDerWaalsContact C-N 3.32Å; P306-V308 HydrophobicContact CB-CG1 3.97Å; P306-V308 PolarHBondContact O-N 3.43Å; P306-V308 VanDerWaalsContact O-N 3.15Å; P306-D323 WeakPolarHBondContact CD-O 3.37Å; P306-D344 WeakPolarHBondContact CA-O 3.39Å; P306-D344 WeakPolarHBondContact CB-O 3.21Å
307N94.8Very high94.9Very high10 Ų1033 Ų335%0.05323%0.229CC..SBendtrans-90.766.6-179.2-76.6-19.8000111.4T109 G110 G111 R112 F221 V305T109-N307 WeakPolarHBondContact CB-O 3.35Å; T109-N307 WeakPolarHBondContact O-CB 3.28Å; T109-N307 PolarHBondContact O-ND2 2.85Å; T109-N307 PolarHBondContact OG1-O 2.81Å; G110-N307 WeakPolarHBondContact O-CB 3.38Å; G110-N307 PolarHBondContact O-N 3.38Å; G111-N307 PolarHBondContact O-ND2 3.47Å; R112-N307 WeakPolarHBondContact CB-OD1 3.37Å; R112-N307 WeakPolarHBondContact CD-OD1 3.29Å; R112-N307 VanDerWaalsContact CG-OD1 3.28Å; R112-N307 WeakPolarHBondContact CG-OD1 3.29Å; R112-N307 PolarHBondContact N-ND2 3.24Å; R112-N307 PolarHBondContact N-OD1 2.71Å; R112-N307 PolarHBondContact NH1-OD1 2.97Å; F221-N307 HydrophobicContact CE1-CB 4.47Å; V305-N307 PolarHBondContact O-N 2.71Å
308V95.7Very high94.9Very high10 Ų1033.6 Ų33.66%0.06123%0.232CC..  trans-114.7-9.9-172.9-54.90000113.7P306 T310 F311 V312 G324 L326 S345P306-V308 VanDerWaalsContact C-N 3.32Å; P306-V308 HydrophobicContact CB-CG1 3.97Å; P306-V308 PolarHBondContact O-N 3.43Å; P306-V308 VanDerWaalsContact O-N 3.15Å; V308-T310 PolarHBondContact O-N 3.29Å; V308-T310 VanDerWaalsContact O-N 3.09Å; V308-F311 PolarHBondContact O-N 3.31Å; V308-V312 HydrophobicContact CB-CG2 4.19Å; V308-V312 HydrophobicContact CG2-CG2 3.97Å; V308-V312 PolarHBondContact O-N 2.92Å; V308-G324 WeakPolarHBondContact CG2-O 3.41Å; V308-L326 HydrophobicContact CB-CD2 4.1Å; V308-L326 HydrophobicContact CB-CG 4.1Å; V308-L326 HydrophobicContact CG1-CD1 4.19Å; V308-L326 HydrophobicContact CG1-CD2 4.24Å; V308-L326 HydrophobicContact CG1-CG 3.69Å; V308-S345 WeakPolarHBondContact CG1-O 3.07Å
309G91.8Very high94.9Very high59 Ų5938.2 Ų38.261%0.60826%0.257SS*.THydrogen-bonded Turntrans-57.8-30-170.100000114.6F311G309-F311 VanDerWaalsContact C-N 3.25Å; G309-F311 PolarHBondContact O-N 2.83Å
310T93Very high94.9Very high44 Ų4441.3 Ų41.327%0.2728%0.275SS..THydrogen-bonded Turntrans-65.9-26.5175.4-53.60000113.2V83 V308V83-T310 WeakPolarHBondContact O-CG2 3.28Å; V308-T310 PolarHBondContact O-N 3.29Å; V308-T310 VanDerWaalsContact O-N 3.09Å
311F96.7Very high95Very high6 Ų642.3 Ų42.33%0.02628%0.283CS..THydrogen-bonded Turntrans-100.9-32-173.7-48.3-65.8000112.8V11 V82 L85 L107 T109 V308 G309 T313 N316 F318V11-F311 HydrophobicContact CG1-CZ 4.13Å; V82-F311 HydrophobicContact CB-CE1 4.49Å; V82-F311 HydrophobicContact CG1-CE1 3.7Å; V82-F311 HydrophobicContact CG1-CZ 4.35Å; L85-F311 HydrophobicContact CB-CD1 3.93Å; L85-F311 HydrophobicContact CD2-CB 4.38Å; L85-F311 HydrophobicContact CD2-CD1 4.29Å; L107-F311 HydrophobicContact CD1-CB 4.1Å; L107-F311 HydrophobicContact CD1-CD1 4.34Å; L107-F311 HydrophobicContact CD1-CD2 3.93Å; L107-F311 HydrophobicContact CD1-CE2 4.48Å; L107-F311 HydrophobicContact CD1-CG 3.85Å; L107-F311 HydrophobicContact CD2-CD1 4.06Å; L107-F311 HydrophobicContact CD2-CD2 4.28Å; L107-F311 HydrophobicContact CD2-CE1 3.84Å; L107-F311 HydrophobicContact CD2-CE2 4.09Å; L107-F311 HydrophobicContact CD2-CG 4.27Å; L107-F311 HydrophobicContact CD2-CZ 3.87Å; T109-F311 HydrophobicContact CG2-CE2 3.55Å; T109-F311 HydrophobicContact CG2-CZ 3.73Å; V308-F311 PolarHBondContact O-N 3.31Å; G309-F311 VanDerWaalsContact C-N 3.25Å; G309-F311 PolarHBondContact O-N 2.83Å; F311-T313 PolarHBondContact O-N 3.12Å; F311-T313 VanDerWaalsContact O-N 3.09Å; F311-N316 WeakPolarHBondContact O-CB 3.26Å; F311-N316 PolarHBondContact O-ND2 2.86Å; F311-N316 VanDerWaalsContact O-ND2 3.09Å; F311-F318 HydrophobicContact CB-CD2 4.43Å; F311-F318 HydrophobicContact CB-CE2 3.8Å; F311-F318 HydrophobicContact CB-CZ 4.44Å; F311-F318 WeakPolarHBondContact O-CE2 3.46Å
312V96.3Very high95Very high54 Ų5450.6 Ų50.633%0.32733%0.326SS..  trans-77.496.5-178.9-175.60000109.6V308 F318 V320 L326V308-V312 HydrophobicContact CB-CG2 4.19Å; V308-V312 HydrophobicContact CG2-CG2 3.97Å; V308-V312 PolarHBondContact O-N 2.92Å; V312-F318 HydrophobicContact CG2-CB 4.2Å; V312-F318 HydrophobicContact CG2-CD2 4.31Å; V312-V320 HydrophobicContact CG1-CG2 3.91Å; V312-V320 HydrophobicContact CG2-CG2 3.85Å; V312-L326 HydrophobicContact CG2-CD2 3.82Å
313T95.6Very high95.1Very high49 Ų4951.8 Ų51.830%0.30133%0.331SS..BIsolated β-bridgetrans-138.1168.1-176.862.40000110F311 E315 N316F311-T313 PolarHBondContact O-N 3.12Å; F311-T313 VanDerWaalsContact O-N 3.09Å; T313-E315 PolarHBondContact O-N 2.62Å; T313-E315 VanDerWaalsContact O-N 3.17Å; T313-E315 WeakPolarHBondContact OG1-CG 3.47Å; T313-E315 PolarHBondContact OG1-OE1 2.75Å; T313-N316 CarbonylContact O-C 3.55Å; T313-N316 VanDerWaalsContact O-C 3.27Å; T313-N316 PolarHBondContact O-N 3.43Å; T313-N316 PolarHBondContact OG1-ND2 3.02Å; T313-N316 VanDerWaalsContact OG1-ND2 3.08Å
314A91.3Very high95.3Very high112 Ų11251.1 Ų51.193%0.92632%0.324SS*.THydrogen-bonded Turntrans-61.1-25.4179.200000113.9
315E93.1Very high95.6Very high71 Ų7149.4 Ų49.433%0.33231%0.314SS..THydrogen-bonded Turntrans-83.5-15.8175.858.9-176.5165.200113.4H84 T313H84-E315 VanDerWaalsContact CE1-CD 3.46Å; H84-E315 IonicContact CE1-OE1 3.28Å; H84-E315 PolarHBondContact CE1-OE1 3.45Å; H84-E315 IonicContact CE1-OE2 3.97Å; H84-E315 PolarHBondContact CE1-OE2 2.81Å; H84-E315 IonicContact ND1-OE1 3.47Å; H84-E315 PolarHBondContact ND1-OE1 2.69Å; H84-E315 IonicContact NE2-OE1 2.86Å; H84-E315 IonicContact NE2-OE2 3.4Å; T313-E315 PolarHBondContact O-N 2.62Å; T313-E315 VanDerWaalsContact O-N 3.17Å; T313-E315 WeakPolarHBondContact OG1-CG 3.47Å; T313-E315 PolarHBondContact OG1-OE1 2.75Å
316N96.4Very high95.8Very high1 Ų147.3 Ų47.31%0.00530%0.301CS..BIsolated β-bridgetrans-124.888.3179.9-57.7-45.4000109L85 S87 F311 T313 F318L85-N316 PolarHBondContact O-ND2 3.25Å; L85-N316 PolarHBondContact O-OD1 3.23Å; S87-N316 VanDerWaalsContact CB-OD1 3.23Å; S87-N316 WeakPolarHBondContact CB-OD1 3.39Å; S87-N316 PolarHBondContact N-OD1 2.72Å; S87-N316 PolarHBondContact OG-OD1 2.84Å; F311-N316 WeakPolarHBondContact O-CB 3.26Å; F311-N316 PolarHBondContact O-ND2 2.86Å; F311-N316 VanDerWaalsContact O-ND2 3.09Å; T313-N316 CarbonylContact O-C 3.55Å; T313-N316 VanDerWaalsContact O-C 3.27Å; T313-N316 PolarHBondContact O-N 3.43Å; T313-N316 PolarHBondContact OG1-ND2 3.02Å; T313-N316 VanDerWaalsContact OG1-ND2 3.08Å; N316-F318 HydrophobicContact CB-CD2 3.8Å; N316-F318 HydrophobicContact CB-CE2 3.6Å; N316-F318 WeakPolarHBondContact O-CD2 3.4Å; N316-F318 PolarHBondContact O-N 3.28Å
317P94.5Very high95.9Very high91 Ų9150.2 Ų50.259%0.59132%0.316SS*.  trans-77.162.5-171.633.6-37.4000111.8S335P317-S335 PolarHBondContact O-OG 3.33Å
318F98.3Very high96.1Very high15 Ų1549.8 Ų49.87%0.06631%0.314CS..  trans-65.7132.5173-71.5-74.3000110.7L85 L107 F311 V312 N316 V320 L326 T334 S335 V336 V339L85-F318 HydrophobicContact CD2-CE2 3.84Å; L85-F318 HydrophobicContact CD2-CZ 3.69Å; L107-F318 HydrophobicContact CD1-CE1 4.17Å; L107-F318 HydrophobicContact CD1-CE2 4.49Å; L107-F318 HydrophobicContact CD1-CZ 3.76Å; F311-F318 HydrophobicContact CB-CD2 4.43Å; F311-F318 HydrophobicContact CB-CE2 3.8Å; F311-F318 HydrophobicContact CB-CZ 4.44Å; F311-F318 WeakPolarHBondContact O-CE2 3.46Å; V312-F318 HydrophobicContact CG2-CB 4.2Å; V312-F318 HydrophobicContact CG2-CD2 4.31Å; N316-F318 HydrophobicContact CB-CD2 3.8Å; N316-F318 HydrophobicContact CB-CE2 3.6Å; N316-F318 WeakPolarHBondContact O-CD2 3.4Å; N316-F318 PolarHBondContact O-N 3.28Å; F318-V320 HydrophobicContact CB-CG2 4.46Å; F318-L326 HydrophobicContact CB-CD2 3.68Å; F318-L326 HydrophobicContact CD1-CD1 4.29Å; F318-L326 HydrophobicContact CD1-CD2 3.79Å; F318-L326 HydrophobicContact CD2-CD2 4.31Å; F318-L326 HydrophobicContact CE1-CD1 4.27Å; F318-L326 HydrophobicContact CE1-CD2 4.5Å; F318-L326 HydrophobicContact CG-CD2 3.67Å; F318-T334 HydrophobicContact CD1-CG2 4.21Å; F318-T334 HydrophobicContact CE1-CG2 4.01Å; F318-T334 VanDerWaalsContact CE1-OG1 3.32Å; F318-T334 WeakPolarHBondContact CE1-OG1 3.22Å; F318-S335 WeakPolarHBondContact CA-OG 3.41Å; F318-V336 HydrophobicContact CD1-CB 4.12Å; F318-V336 HydrophobicContact CD1-CG2 3.57Å; F318-V336 HydrophobicContact CD2-CG2 4.12Å; F318-V336 HydrophobicContact CE1-CB 3.72Å; F318-V336 HydrophobicContact CE1-CG2 3.58Å; F318-V336 HydrophobicContact CE2-CG2 4.14Å; F318-V336 HydrophobicContact CG-CG2 3.85Å; F318-V336 HydrophobicContact CZ-CB 4.12Å; F318-V336 HydrophobicContact CZ-CG2 3.88Å; F318-V339 HydrophobicContact CE1-CB 4.27Å; F318-V339 HydrophobicContact CE1-CG1 3.78Å; F318-V339 HydrophobicContact CZ-CG1 3.91Å
319N98.4Very high96.2Very high98 Ų9852.1 Ų52.152%0.52433%0.326SS..  trans-74.5124.5162.9-70.7-11.2000107.7L327 S335N319-L327 HydrophobicContact CB-CB 4.16Å; N319-L327 HydrophobicContact CB-CD2 4.41Å; N319-L327 PolarHBondContact O-N 2.88Å; N319-S335 PolarHBondContact N-OG 3.3Å
320V98.2Very high96.5Very high64 Ų6453 Ų5339%0.38832%0.316SS..BIsolated β-bridgetrans-114.2129-178.5-176.80000107.9V312 F318 G324 G325V312-V320 HydrophobicContact CG1-CG2 3.91Å; V312-V320 HydrophobicContact CG2-CG2 3.85Å; F318-V320 HydrophobicContact CB-CG2 4.46Å; V320-G324 VanDerWaalsContact CG1-C 3.5Å; V320-G325 CarbonylContact C-O 3.57Å; V320-G325 WeakPolarHBondContact CA-O 3.29Å
321A97.6Very high96.7Very high22 Ų2251.4 Ų51.418%0.18231%0.306CS..  trans-72.2167.7175.800000111.5D323 G324 G325 L327 T347A321-D323 WeakPolarHBondContact CB-OD1 3.28Å; A321-D323 PolarHBondContact O-N 2.75Å; A321-D323 VanDerWaalsContact O-N 3.1Å; A321-G324 PolarHBondContact O-N 3.34Å; A321-G325 PolarHBondContact N-O 2.67Å; A321-L327 HydrophobicContact CB-CD1 4.31Å; A321-T347 HydrophobicContact CB-CG2 3.77Å
322D95.8Very high96.8Very high183 Ų18351.1 Ų51.198%0.97931%0.305SS*.THydrogen-bonded Turntrans-59.5-25.8-177.7-69.6-20.1000113.6G324D322-G324 VanDerWaalsContact C-N 3.27Å; D322-G324 PolarHBondContact O-N 3.4Å
323D94.4Very high96.9Very high76 Ų7650.4 Ų50.441%0.40630%0.298SS..THydrogen-bonded Turntrans-85.73.3177.173.8-15.9000113.9P306 A321 G325 T347 R360P306-D323 WeakPolarHBondContact CD-O 3.37Å; A321-D323 WeakPolarHBondContact CB-OD1 3.28Å; A321-D323 PolarHBondContact O-N 2.75Å; A321-D323 VanDerWaalsContact O-N 3.1Å; D323-G325 VanDerWaalsContact C-N 3.35Å; D323-G325 PolarHBondContact OD1-N 2.86Å; D323-G325 VanDerWaalsContact OD1-N 3.1Å; D323-T347 PolarHBondContact OD1-OG1 3.1Å; D323-T347 PolarHBondContact OD2-OG1 2.82Å; D323-R360 IonicContact OD1-NH2 3.27Å; D323-R360 IonicContact OD2-CZ 3.6Å; D323-R360 IonicContact OD2-NE 2.65Å; D323-R360 IonicContact OD2-NH2 2.58Å; D323-R360 PolarHBondContact OD2-NH2 2.92Å
324G96.6Very high97.1Very high24 Ų2448.8 Ų48.825%0.24729%0.288CS..SBendtrans84.32.8179.100000114.5V308 V320 A321 D322V308-G324 WeakPolarHBondContact CG2-O 3.41Å; V320-G324 VanDerWaalsContact CG1-C 3.5Å; A321-G324 PolarHBondContact O-N 3.34Å; D322-G324 VanDerWaalsContact C-N 3.27Å; D322-G324 PolarHBondContact O-N 3.4Å
325G98.2Very high97.4Very high0 Ų046 Ų460%026%0.261CS..PPolyproline II helixtrans-79151.117700000112.4V320 A321 D323 L327 T347V320-G325 CarbonylContact C-O 3.57Å; V320-G325 WeakPolarHBondContact CA-O 3.29Å; A321-G325 PolarHBondContact N-O 2.67Å; D323-G325 VanDerWaalsContact C-N 3.35Å; D323-G325 PolarHBondContact OD1-N 2.86Å; D323-G325 VanDerWaalsContact OD1-N 3.1Å; G325-L327 PolarHBondContact O-N 3.27Å; G325-T347 WeakPolarHBondContact CA-OG1 3.33Å
326L98.7Very high97.7Very high0 Ų043 Ų430%025%0.248CC..EExtended strand (participates in β ladder)trans-63.4121168.3-61.3178.9000109.1L107 V308 V312 F318 I328 T334 A341 S345 C346 T347L107-L326 HydrophobicContact CB-CD1 4.25Å; L107-L326 HydrophobicContact CD1-CD1 3.65Å; V308-L326 HydrophobicContact CB-CD2 4.1Å; V308-L326 HydrophobicContact CB-CG 4.1Å; V308-L326 HydrophobicContact CG1-CD1 4.19Å; V308-L326 HydrophobicContact CG1-CD2 4.24Å; V308-L326 HydrophobicContact CG1-CG 3.69Å; V312-L326 HydrophobicContact CG2-CD2 3.82Å; F318-L326 HydrophobicContact CB-CD2 3.68Å; F318-L326 HydrophobicContact CD1-CD1 4.29Å; F318-L326 HydrophobicContact CD1-CD2 3.79Å; F318-L326 HydrophobicContact CD2-CD2 4.31Å; F318-L326 HydrophobicContact CE1-CD1 4.27Å; F318-L326 HydrophobicContact CE1-CD2 4.5Å; F318-L326 HydrophobicContact CG-CD2 3.67Å; L326-I328 PolarHBondContact O-N 3.11Å; L326-T334 HydrophobicContact CB-CG2 4.23Å; L326-T334 HydrophobicContact CD1-CG2 4.17Å; L326-A341 HydrophobicContact CB-CB 4.27Å; L326-A341 HydrophobicContact CD1-CB 3.96Å; L326-S345 PolarHBondContact N-O 2.83Å; L326-C346 HydrophobicContact CB-CB 4.34Å; L326-C346 CarbonylContact O-C 3.49Å; L326-C346 WeakPolarHBondContact O-CA 3.47Å; L326-C346 VanDerWaalsContact O-CB 3.26Å; L326-C346 WeakPolarHBondContact O-CB 3.47Å; L326-T347 PolarHBondContact O-N 3.46Å
327L98.7Very high97.7Very high65 Ų6549.8 Ų49.834%0.3428%0.28SS..EExtended strand (participates in β ladder)trans-69.5124.9176.8-169.870.5000109N319 A321 G325N319-L327 HydrophobicContact CB-CB 4.16Å; N319-L327 HydrophobicContact CB-CD2 4.41Å; N319-L327 PolarHBondContact O-N 2.88Å; A321-L327 HydrophobicContact CB-CD1 4.31Å; G325-L327 PolarHBondContact O-N 3.27Å
328I98.7Very high97.9Very high2 Ų246.4 Ų46.41%0.0126%0.257CS..EExtended strand (participates in β ladder)trans-117.7146.2179.652.9158.5000112.1L326 M332 E333 T334 A341 C346 T347 G349 W350 M368L326-I328 PolarHBondContact O-N 3.11Å; I328-M332 HydrophobicContact CD1-CE 4.43Å; I328-M332 HydrophobicContact CD1-SD 3.39Å; I328-M332 WeakPolarHBondContact CD1-SD 3.43Å; I328-E333 CarbonylContact C-O 3.55Å; I328-E333 WeakPolarHBondContact CA-O 3.49Å; I328-T334 HydrophobicContact CG2-CG2 4.02Å; I328-A341 HydrophobicContact CG2-CB 3.9Å; I328-C346 HydrophobicContact CD1-CB 4.27Å; I328-C346 HydrophobicContact CG1-CB 4.19Å; I328-C346 HydrophobicContact CG2-CB 3.93Å; I328-T347 WeakPolarHBondContact CG1-O 3.33Å; I328-T347 PolarHBondContact N-O 3.05Å; I328-G349 WeakPolarHBondContact O-CA 3.28Å; I328-G349 PolarHBondContact O-N 2.98Å; I328-W350 HydrophobicContact CD1-CH2 4.28Å; I328-W350 HydrophobicContact CD1-CZ3 3.87Å; I328-W350 HydrophobicContact CG1-CZ3 4.13Å; I328-M368 HydrophobicContact CD1-CE 3.62Å
329N98.2Very high97.9Very high59 Ų5945.8 Ų45.832%0.31625%0.254SS..  trans-81.8-177.1170.669.65.8000111.7Q331 M332 E333 W350N329-Q331 PolarHBondContact O-N 2.86Å; N329-Q331 VanDerWaalsContact O-N 3.15Å; N329-Q331 WeakPolarHBondContact OD1-CA 3.08Å; N329-Q331 WeakPolarHBondContact OD1-CB 3.44Å; N329-Q331 PolarHBondContact OD1-N 2.9Å; N329-M332 PolarHBondContact O-N 3.17Å; N329-M332 PolarHBondContact OD1-N 3.31Å; N329-E333 PolarHBondContact N-O 3.01Å; N329-E333 PolarHBondContact ND2-OE2 2.95Å; N329-E333 VanDerWaalsContact OD1-CB 3.32Å; N329-E333 WeakPolarHBondContact OD1-CB 3.24Å; N329-E333 PolarHBondContact OD1-N 3.01Å; N329-E333 PolarHBondContact OD1-O 2.81Å; N329-W350 WeakPolarHBondContact O-CZ3 3.2Å
330D97.3Very high97.9Very high76 Ų7641.1 Ų41.141%0.40623%0.229SC..THydrogen-bonded Turntrans-67.7-2.5176.161.53.4000114.3W350 F371 L387D330-W350 HydrophobicContact CB-CB 4.37Å; D330-F371 WeakPolarHBondContact O-CE1 3.46Å; D330-L387 HydrophobicContact CB-CD1 4.38Å
331Q98.1Very high98Very high11 Ų1138 Ų385%0.05121%0.211CC..THydrogen-bonded Turntrans-102.310.4168.9-57.7-58.3-67.600112.2N329 E333 Y340 C375 M385N329-Q331 PolarHBondContact O-N 2.86Å; N329-Q331 VanDerWaalsContact O-N 3.15Å; N329-Q331 WeakPolarHBondContact OD1-CA 3.08Å; N329-Q331 WeakPolarHBondContact OD1-CB 3.44Å; N329-Q331 PolarHBondContact OD1-N 2.9Å; Q331-E333 HydrophobicContact CB-CG 3.86Å; Q331-E333 PolarHBondContact O-N 2.85Å; Q331-E333 VanDerWaalsContact O-N 3.16Å; Q331-Y340 VanDerWaalsContact O-CD1 3.29Å; Q331-Y340 WeakPolarHBondContact O-CD1 3.26Å; Q331-Y340 VanDerWaalsContact O-CE1 3.23Å; Q331-Y340 WeakPolarHBondContact O-CE1 3.28Å; Q331-C375 WeakPolarHBondContact O-CB 3.47Å; Q331-M385 PolarHBondContact NE2-O 2.86Å
332M98.6Very high98Very high0 Ų037 Ų370%020%0.202CC..SBendtrans62.114-173.2-56.2-74.3156.200113.9I328 N329 Y340 A341 W350 M368 F371 A372 F391I328-M332 HydrophobicContact CD1-CE 4.43Å; I328-M332 HydrophobicContact CD1-SD 3.39Å; I328-M332 WeakPolarHBondContact CD1-SD 3.43Å; N329-M332 PolarHBondContact O-N 3.17Å; N329-M332 PolarHBondContact OD1-N 3.31Å; M332-Y340 HydrophobicContact CB-CD1 4.17Å; M332-Y340 CarbonylContact O-C 3.55Å; M332-Y340 WeakPolarHBondContact O-CA 3.34Å; M332-Y340 VanDerWaalsContact O-CB 3.3Å; M332-Y340 WeakPolarHBondContact O-CB 3.24Å; M332-A341 PolarHBondContact O-N 3.31Å; M332-W350 HydrophobicContact CE-CH2 3.69Å; M332-W350 HydrophobicContact CE-CZ3 4.2Å; M332-M368 HydrophobicContact SD-CB 4.49Å; M332-M368 HydrophobicContact SD-CE 4.29Å; M332-F371 HydrophobicContact CE-CB 4.37Å; M332-F371 HydrophobicContact CE-CD1 3.35Å; M332-F371 HydrophobicContact CE-CE1 4.01Å; M332-F371 HydrophobicContact CE-CG 4.26Å; M332-F371 HydrophobicContact CG-CD1 3.61Å; M332-F371 HydrophobicContact CG-CE1 4.22Å; M332-F371 HydrophobicContact SD-CD1 4.28Å; M332-A372 HydrophobicContact CB-CB 3.91Å; M332-A372 HydrophobicContact CG-CB 4Å; M332-F391 HydrophobicContact CE-CE1 3.85Å; M332-F391 HydrophobicContact CE-CE2 3.7Å; M332-F391 HydrophobicContact CE-CZ 3.23Å
333E98.6Very high98.1Very high40 Ų4028.3 Ų28.319%0.18716%0.155CC..BIsolated β-bridgetrans-82.5137.1-179.9-61.3169.8149.800110.1I328 N329 Q331 Y340 N379I328-E333 CarbonylContact C-O 3.55Å; I328-E333 WeakPolarHBondContact CA-O 3.49Å; N329-E333 PolarHBondContact N-O 3.01Å; N329-E333 PolarHBondContact ND2-OE2 2.95Å; N329-E333 VanDerWaalsContact OD1-CB 3.32Å; N329-E333 WeakPolarHBondContact OD1-CB 3.24Å; N329-E333 PolarHBondContact OD1-N 3.01Å; N329-E333 PolarHBondContact OD1-O 2.81Å; Q331-E333 HydrophobicContact CB-CG 3.86Å; Q331-E333 PolarHBondContact O-N 2.85Å; Q331-E333 VanDerWaalsContact O-N 3.16Å; E333-Y340 HydrophobicContact CB-CD1 4.49Å; E333-Y340 HydrophobicContact CB-CE1 4.35Å; E333-Y340 HydrophobicContact CG-CD1 3.76Å; E333-Y340 HydrophobicContact CG-CE1 3.21Å; E333-Y340 HydrophobicContact CG-CE2 4.41Å; E333-Y340 PolarHBondContact OE1-OH 3.46Å; E333-N379 PolarHBondContact OE1-ND2 3.44Å
334T98.8Very high98.2Very high14 Ų1425.2 Ų25.29%0.08614%0.139CC..  trans-80.4178.4168.672.80000110.5F318 L326 I328 V336 V339 A341F318-T334 HydrophobicContact CD1-CG2 4.21Å; F318-T334 HydrophobicContact CE1-CG2 4.01Å; F318-T334 VanDerWaalsContact CE1-OG1 3.32Å; F318-T334 WeakPolarHBondContact CE1-OG1 3.22Å; L326-T334 HydrophobicContact CB-CG2 4.23Å; L326-T334 HydrophobicContact CD1-CG2 4.17Å; I328-T334 HydrophobicContact CG2-CG2 4.02Å; T334-V336 PolarHBondContact O-N 3.23Å; T334-V336 PolarHBondContact OG1-N 3.32Å; T334-V336 VanDerWaalsContact OG1-N 3.17Å; T334-V336 PolarHBondContact OG1-O 3.29Å; T334-V339 WeakPolarHBondContact CB-O 3.42Å; T334-V339 HydrophobicContact CG2-CG1 4.35Å; T334-V339 WeakPolarHBondContact CG2-O 3.31Å; T334-V339 PolarHBondContact N-O 3.27Å; T334-V339 PolarHBondContact OG1-O 3.33Å; T334-A341 HydrophobicContact CG2-CB 3.84Å
335S98.2Very high98.3Very high53 Ų5324 Ų2437%0.37113%0.127SC..SBendtrans-68-10.6171.763.70000114.5P317 F318 N319P317-S335 PolarHBondContact O-OG 3.33Å; F318-S335 WeakPolarHBondContact CA-OG 3.41Å; N319-S335 PolarHBondContact N-OG 3.3Å
336V98.5Very high98.3Very high10 Ų1024 Ų246%0.06113%0.127CC..SBendtrans-94.6125178177.10000109.1F318 T334 D338 V339F318-V336 HydrophobicContact CD1-CB 4.12Å; F318-V336 HydrophobicContact CD1-CG2 3.57Å; F318-V336 HydrophobicContact CD2-CG2 4.12Å; F318-V336 HydrophobicContact CE1-CB 3.72Å; F318-V336 HydrophobicContact CE1-CG2 3.58Å; F318-V336 HydrophobicContact CE2-CG2 4.14Å; F318-V336 HydrophobicContact CG-CG2 3.85Å; F318-V336 HydrophobicContact CZ-CB 4.12Å; F318-V336 HydrophobicContact CZ-CG2 3.88Å; T334-V336 PolarHBondContact O-N 3.23Å; T334-V336 PolarHBondContact OG1-N 3.32Å; T334-V336 VanDerWaalsContact OG1-N 3.17Å; T334-V336 PolarHBondContact OG1-O 3.29Å; V336-D338 PolarHBondContact O-N 3.46Å; V336-V339 HydrophobicContact CB-CB 4.16Å; V336-V339 HydrophobicContact CB-CG2 4.14Å; V336-V339 HydrophobicContact CG1-CB 4.22Å; V336-V339 HydrophobicContact CG1-CG2 3.64Å; V336-V339 WeakPolarHBondContact O-CB 3.49Å; V336-V339 PolarHBondContact O-N 3.04Å
337Q97.4Very high98.3Very high143 Ų14325 Ų2567%0.66813%0.133SC*.THydrogen-bonded Turntrans-51.9131.5-177.4-176.562.950.700111.9V339Q337-V339 PolarHBondContact O-N 3.49Å
338D98.3Very high98.2Very high20 Ų2022.9 Ų22.911%0.10713%0.125CC..THydrogen-bonded Turntrans6315.8178.8-55.2-41.1000115.1K90 R103 K104 L105 V336K90-D338 WeakPolarHBondContact CE-OD2 3.49Å; K90-D338 IonicContact NZ-OD2 2.68Å; K90-D338 PolarHBondContact NZ-OD2 3.26Å; R103-D338 WeakPolarHBondContact O-CB 3.46Å; K104-D338 WeakPolarHBondContact CA-O 3.22Å; K104-D338 HydrophobicContact CD-CB 4.02Å; K104-D338 IonicContact NZ-OD1 3.97Å; K104-D338 PolarHBondContact NZ-OD1 3.39Å; L105-D338 PolarHBondContact N-O 3.37Å; V336-D338 PolarHBondContact O-N 3.46Å
339V98.8Very high98.2Very high1 Ų124.8 Ų24.81%0.00615%0.145CC..EExtended strand (participates in β ladder)trans-113.3123.4173.7-174.50000109.8Y102 L105 L107 F318 T334 V336 Q337Y102-V339 HydrophobicContact CE2-CG2 4.33Å; L105-V339 HydrophobicContact CB-CG1 4.47Å; L105-V339 HydrophobicContact CB-CG2 4.28Å; L105-V339 HydrophobicContact CD2-CG1 4.06Å; L105-V339 HydrophobicContact CD2-CG2 4.08Å; L105-V339 HydrophobicContact CG-CG1 4.17Å; L105-V339 CarbonylContact O-C 3.54Å; L105-V339 WeakPolarHBondContact O-CA 3.27Å; L107-V339 HydrophobicContact CD1-CG1 3.82Å; L107-V339 HydrophobicContact CG-CG1 3.92Å; F318-V339 HydrophobicContact CE1-CB 4.27Å; F318-V339 HydrophobicContact CE1-CG1 3.78Å; F318-V339 HydrophobicContact CZ-CG1 3.91Å; T334-V339 WeakPolarHBondContact CB-O 3.42Å; T334-V339 HydrophobicContact CG2-CG1 4.35Å; T334-V339 WeakPolarHBondContact CG2-O 3.31Å; T334-V339 PolarHBondContact N-O 3.27Å; T334-V339 PolarHBondContact OG1-O 3.33Å; V336-V339 HydrophobicContact CB-CB 4.16Å; V336-V339 HydrophobicContact CB-CG2 4.14Å; V336-V339 HydrophobicContact CG1-CB 4.22Å; V336-V339 HydrophobicContact CG1-CG2 3.64Å; V336-V339 WeakPolarHBondContact O-CB 3.49Å; V336-V339 PolarHBondContact O-N 3.04Å; Q337-V339 PolarHBondContact O-N 3.49Å
340Y98.9Very high98.1Very high0 Ų023.7 Ų23.70%014%0.137CC..EExtended strand (participates in β ladder)trans-108163.2177.7-61.1-104.9000109.1K104 L105 C106 L107 Q331 M332 E333 C375 M376 N379K104-Y340 HydrophobicContact CD-CE2 3.98Å; L105-Y340 PolarHBondContact O-N 3.04Å; C106-Y340 CarbonylContact C-O 3.59Å; C106-Y340 WeakPolarHBondContact CA-O 3.34Å; L107-Y340 PolarHBondContact N-O 3.48Å; Q331-Y340 VanDerWaalsContact O-CD1 3.29Å; Q331-Y340 WeakPolarHBondContact O-CD1 3.26Å; Q331-Y340 VanDerWaalsContact O-CE1 3.23Å; Q331-Y340 WeakPolarHBondContact O-CE1 3.28Å; M332-Y340 HydrophobicContact CB-CD1 4.17Å; M332-Y340 CarbonylContact O-C 3.55Å; M332-Y340 WeakPolarHBondContact O-CA 3.34Å; M332-Y340 VanDerWaalsContact O-CB 3.3Å; M332-Y340 WeakPolarHBondContact O-CB 3.24Å; E333-Y340 HydrophobicContact CB-CD1 4.49Å; E333-Y340 HydrophobicContact CB-CE1 4.35Å; E333-Y340 HydrophobicContact CG-CD1 3.76Å; E333-Y340 HydrophobicContact CG-CE1 3.21Å; E333-Y340 HydrophobicContact CG-CE2 4.41Å; E333-Y340 PolarHBondContact OE1-OH 3.46Å; Y340-C375 HydrophobicContact CE1-CB 4.2Å; Y340-M376 HydrophobicContact CD1-CG 3.79Å; Y340-M376 HydrophobicContact CD2-CG 3.53Å; Y340-M376 HydrophobicContact CD2-SD 4.23Å; Y340-M376 HydrophobicContact CE1-CG 4.03Å; Y340-M376 HydrophobicContact CE2-CG 3.81Å; Y340-M376 HydrophobicContact CG-CG 3.57Å; Y340-M376 HydrophobicContact CG-SD 4.17Å; Y340-N379 WeakPolarHBondContact OH-CB 3.4Å; Y340-N379 PolarHBondContact OH-OD1 2.87Å
341A98.9Very high98Very high0 Ų028.3 Ų28.30%016%0.155CC..EExtended strand (participates in β ladder)trans-143.9152.3170.900000110.7L107 L326 I328 M332 T334 C346L107-A341 HydrophobicContact CB-CB 4.28Å; L107-A341 WeakPolarHBondContact O-CA 3.31Å; L326-A341 HydrophobicContact CB-CB 4.27Å; L326-A341 HydrophobicContact CD1-CB 3.96Å; I328-A341 HydrophobicContact CG2-CB 3.9Å; M332-A341 PolarHBondContact O-N 3.31Å; T334-A341 HydrophobicContact CG2-CB 3.84Å; A341-C346 HydrophobicContact CB-CB 3.59Å
342A98.8Very high97.8Very high0 Ų030.5 Ų30.50%017%0.171CC..  trans-148145.8-175.500000112.6A16 L107 S345 C346 M368 A372A16-A342 HydrophobicContact CB-CB 4.32Å; L107-A342 PolarHBondContact O-N 2.98Å; A342-S345 PolarHBondContact O-OG 2.85Å; A342-S345 VanDerWaalsContact O-OG 3.11Å; A342-C346 VanDerWaalsContact CA-SG 3.57Å; A342-M368 HydrophobicContact CB-CB 4.3Å; A342-A372 HydrophobicContact CB-CB 3.9Å
343G97.8Very high97.7Very high0 Ų032 Ų320%018%0.182CC..G310 helixtrans69-144.4-179.900000112.3S345 C346G343-S345 PolarHBondContact O-N 3.38Å; G343-C346 PolarHBondContact O-N 3.35Å; G343-C346 VanDerWaalsContact O-N 3.1Å; G343-C346 PolarHBondContact O-SG 3.14Å
344D96.4Very high97.5Very high11 Ų1135.1 Ų35.16%0.05921%0.205CC..G310 helixtrans-72.7-0.6-165.3-63.26.5000115.1G110 R126 P306 R360G110-D344 CarbonylContact O-C 3.55Å; R126-D344 IonicContact CZ-OD2 2.75Å; R126-D344 IonicContact NH1-OD2 3.53Å; R126-D344 PolarHBondContact NH1-OD2 3.42Å; R126-D344 IonicContact NH2-OD2 3.78Å; R126-D344 PolarHBondContact NH2-OD2 3.36Å; P306-D344 WeakPolarHBondContact CA-O 3.39Å; P306-D344 WeakPolarHBondContact CB-O 3.21Å; D344-R360 VanDerWaalsContact CA-NH1 3.34Å; D344-R360 HydrophobicContact CB-CB 4.28Å; D344-R360 HydrophobicContact CB-CG 4.41Å; D344-R360 PolarHBondContact O-NH1 3.48Å; D344-R360 VanDerWaalsContact OD1-C 3.31Å; D344-R360 WeakPolarHBondContact OD1-CA 3.46Å; D344-R360 WeakPolarHBondContact OD1-CB 3.26Å
345S97.4Very high97.4Very high0 Ų035.7 Ų35.70%021%0.207CC..G310 helixtrans-82-16.9171.354.70000113.2L107 G110 V308 L326 A342 G343L107-S345 PolarHBondContact O-OG 3.09Å; G110-S345 WeakPolarHBondContact O-CA 3.2Å; G110-S345 PolarHBondContact O-N 2.82Å; V308-S345 WeakPolarHBondContact CG1-O 3.07Å; L326-S345 PolarHBondContact N-O 2.83Å; A342-S345 PolarHBondContact O-OG 2.85Å; A342-S345 VanDerWaalsContact O-OG 3.11Å; G343-S345 PolarHBondContact O-N 3.38Å
346C98.6Very high97.3Very high0 Ų033.9 Ų33.90%019%0.192CC..EExtended strand (participates in β ladder)trans-128.7167-168.3670000113.7L326 I328 A341 A342 G343 Q358 R360 M368L326-C346 HydrophobicContact CB-CB 4.34Å; L326-C346 CarbonylContact O-C 3.49Å; L326-C346 WeakPolarHBondContact O-CA 3.47Å; L326-C346 VanDerWaalsContact O-CB 3.26Å; L326-C346 WeakPolarHBondContact O-CB 3.47Å; I328-C346 HydrophobicContact CD1-CB 4.27Å; I328-C346 HydrophobicContact CG1-CB 4.19Å; I328-C346 HydrophobicContact CG2-CB 3.93Å; A341-C346 HydrophobicContact CB-CB 3.59Å; A342-C346 VanDerWaalsContact CA-SG 3.57Å; G343-C346 PolarHBondContact O-N 3.35Å; G343-C346 VanDerWaalsContact O-N 3.1Å; G343-C346 PolarHBondContact O-SG 3.14Å; C346-Q358 PolarHBondContact O-NE2 2.93Å; C346-R360 VanDerWaalsContact O-CZ 3.28Å; C346-R360 PolarHBondContact O-NH1 3.14Å; C346-R360 PolarHBondContact O-NH2 3.46Å; C346-M368 WeakPolarHBondContact SG-CE 3.41Å
347T98.6Very high97.2Very high20 Ų2035.5 Ų35.512%0.12320%0.2CC..EExtended strand (participates in β ladder)trans-130.4126.5-179.6-570000108.6A321 D323 G325 L326 I328 G349 R360A321-T347 HydrophobicContact CB-CG2 3.77Å; D323-T347 PolarHBondContact OD1-OG1 3.1Å; D323-T347 PolarHBondContact OD2-OG1 2.82Å; G325-T347 WeakPolarHBondContact CA-OG1 3.33Å; L326-T347 PolarHBondContact O-N 3.46Å; I328-T347 WeakPolarHBondContact CG1-O 3.33Å; I328-T347 PolarHBondContact N-O 3.05Å; T347-G349 PolarHBondContact O-N 3.32Å; T347-R360 PolarHBondContact OG1-NH2 2.82Å
348A98.2Very high97.1Very high21 Ų2131 Ų3117%0.17418%0.179CC..EExtended strand (participates in β ladder)trans-59.7121.9176.900000110.3W350 W356A348-W350 HydrophobicContact CB-CD2 4.07Å; A348-W350 HydrophobicContact CB-CE3 3.93Å; A348-W350 HydrophobicContact CB-CH2 3.41Å; A348-W350 VanDerWaalsContact CB-CH2 3.41Å; A348-W350 HydrophobicContact CB-CZ2 3.55Å; A348-W350 HydrophobicContact CB-CZ3 3.62Å; A348-W356 HydrophobicContact CB-CH2 4.1Å; A348-W356 HydrophobicContact CB-CZ3 4.07Å
349G97.6Very high96.9Very high42 Ų4232.3 Ų32.343%0.43319%0.185SC..  trans-106.44-177.100000114.7I328 T347I328-G349 WeakPolarHBondContact O-CA 3.28Å; I328-G349 PolarHBondContact O-N 2.98Å; T347-G349 PolarHBondContact O-N 3.32Å
350W96.2Very high96.6Very high36 Ų3633.6 Ų33.614%0.13619%0.19CC..SBendtrans-87.3164.5168.862.694.3000110.7I328 N329 D330 M332 A348 P352 W356 L387 F391I328-W350 HydrophobicContact CD1-CH2 4.28Å; I328-W350 HydrophobicContact CD1-CZ3 3.87Å; I328-W350 HydrophobicContact CG1-CZ3 4.13Å; N329-W350 WeakPolarHBondContact O-CZ3 3.2Å; D330-W350 HydrophobicContact CB-CB 4.37Å; M332-W350 HydrophobicContact CE-CH2 3.69Å; M332-W350 HydrophobicContact CE-CZ3 4.2Å; A348-W350 HydrophobicContact CB-CD2 4.07Å; A348-W350 HydrophobicContact CB-CE3 3.93Å; A348-W350 HydrophobicContact CB-CH2 3.41Å; A348-W350 VanDerWaalsContact CB-CH2 3.41Å; A348-W350 HydrophobicContact CB-CZ2 3.55Å; A348-W350 HydrophobicContact CB-CZ3 3.62Å; W350-P352 WeakPolarHBondContact O-CD 3.38Å; W350-W356 HydrophobicContact CZ2-CH2 4.45Å; W350-L387 HydrophobicContact CG-CD2 4.48Å; W350-L387 HydrophobicContact CZ2-CD1 4.26Å; W350-F391 HydrophobicContact CH2-CD1 4.34Å; W350-F391 HydrophobicContact CH2-CE1 4.31Å; W350-F391 AromaticContact CZ2-CD1 3.72Å; W350-F391 HydrophobicContact CZ2-CD1 3.72Å; W350-F391 HydrophobicContact CZ2-CE1 4.14Å; W350-F391 HydrophobicContact CZ2-CG 4.12Å
351E95.3Very high96.3Very high172 Ų17234.5 Ų34.580%0.80420%0.195SC*.PPolyproline II helixtrans-68.3116.8172.3-173.663.7-150.700109
352P94.7Very high96Very high58 Ų5836.4 Ų36.438%0.37720%0.202SC..PPolyproline II helixtrans-67.7149.5-177.128.7-34.6000111.2W350 W356W350-P352 WeakPolarHBondContact O-CD 3.38Å; P352-W356 HydrophobicContact CB-CE3 4.07Å
353S95Very high95.7Very high32 Ų3236.7 Ų36.722%0.22420%0.203CC..PPolyproline II helixtrans-56.6147165.3175.50000110.2H355 W356 E392S353-H355 PolarHBondContact O-N 3.18Å; S353-W356 PolarHBondContact O-N 2.75Å; S353-E392 VanDerWaalsContact CB-O 3.24Å; S353-E392 WeakPolarHBondContact CB-O 3.22Å; S353-E392 PolarHBondContact OG-O 3.03Å
354P95.1Very high95.6Very high105 Ų10536.8 Ų36.868%0.68220%0.204SC*.THydrogen-bonded Turntrans-52.6-29.3-179.4-28.535.8000114.7C410P354-C410 PolarHBondContact O-SG 2.95Å; P354-C410 VanDerWaalsContact O-SG 3.34Å
355H96.9Very high95.6Very high26 Ų2636.8 Ų36.812%0.1221%0.205CC..BIsolated β-bridgetrans-1026.6-177.8-53.3100.5000113.9S353 L393 F394 G409 Q443 I461S353-H355 PolarHBondContact O-N 3.18Å; H355-L393 HydrophobicContact CB-CD1 3.69Å; H355-F394 WeakPolarHBondContact O-CB 3.37Å; H355-F394 PolarHBondContact O-N 2.77Å; H355-G409 WeakPolarHBondContact O-CA 3.47Å; H355-Q443 PolarHBondContact CD2-O 3.11Å; H355-Q443 VanDerWaalsContact CD2-O 3.25Å; H355-Q443 PolarHBondContact NE2-OE1 2.71Å; H355-I461 HydrophobicContact CB-CG2 4.22Å
356W96.5Very high95.5Very high14 Ų1439.3 Ų39.35%0.05322%0.215CC..  trans-114.4138.8179.6-168.295000112A348 W350 P352 S353 Q358 C390 F391A348-W356 HydrophobicContact CB-CH2 4.1Å; A348-W356 HydrophobicContact CB-CZ3 4.07Å; W350-W356 HydrophobicContact CZ2-CH2 4.45Å; P352-W356 HydrophobicContact CB-CE3 4.07Å; S353-W356 PolarHBondContact O-N 2.75Å; W356-Q358 HydrophobicContact CH2-CB 3.72Å; W356-Q358 HydrophobicContact CH2-CG 4.13Å; W356-Q358 HydrophobicContact CZ3-CB 3.94Å; W356-C390 PolarHBondContact NE1-O 3.12Å; W356-C390 VanDerWaalsContact NE1-O 3.14Å; W356-F391 WeakPolarHBondContact CB-O 3.39Å; W356-F391 AromaticContact CE2-CD1 3.85Å; W356-F391 VanDerWaalsContact CG-O 3.23Å; W356-F391 HydrophobicContact CH2-CD1 4.38Å; W356-F391 AromaticContact CZ2-CD1 3.68Å; W356-F391 HydrophobicContact CZ2-CD1 3.68Å; W356-F391 HydrophobicContact CZ2-CE1 4.11Å; W356-F391 AromaticContact NE1-CD1 4Å
357L95.5Very high95.4Very high44 Ų4439.7 Ų39.723%0.2322%0.216CC..  trans-145.1145.4175.267.6161.9000110.6M359 Q364 F394 F411 Q414L357-M359 HydrophobicContact CD1-CG 4.18Å; L357-M359 HydrophobicContact CD1-SD 4.27Å; L357-M359 HydrophobicContact CG-CG 4.27Å; L357-Q364 PolarHBondContact O-NE2 2.89Å; L357-F394 HydrophobicContact CD2-CB 3.56Å; L357-F394 HydrophobicContact CD2-CD1 4.02Å; L357-F394 HydrophobicContact CD2-CD2 3.84Å; L357-F394 HydrophobicContact CD2-CG 3.52Å; L357-F394 HydrophobicContact CG-CD2 4.18Å; L357-F394 HydrophobicContact CG-CG 4.36Å; L357-F394 VanDerWaalsContact O-CD2 3.28Å; L357-F394 WeakPolarHBondContact O-CD2 3.34Å; L357-F411 HydrophobicContact CD2-CE1 4.35Å; L357-Q414 HydrophobicContact CD1-CG 4.18Å
358Q95.8Very high95.4Very high49 Ų4938.8 Ų38.823%0.22921%0.211CC..  trans-84.1127.8177.1-164.3174.7-8.800111C346 W356C346-Q358 PolarHBondContact O-NE2 2.93Å; W356-Q358 HydrophobicContact CH2-CB 3.72Å; W356-Q358 HydrophobicContact CH2-CG 4.13Å; W356-Q358 HydrophobicContact CZ3-CB 3.94Å
359M93.8Very high95.4Very high48 Ų4837.8 Ų37.824%0.23620%0.203CC..  trans-127.1-0179.4-73.4-16761.500114.4F178 L357 L361 F394 F411F178-M359 HydrophobicContact CE1-CE 4.16Å; F178-M359 HydrophobicContact CE2-CE 3.97Å; F178-M359 HydrophobicContact CZ-CE 3.77Å; L357-M359 HydrophobicContact CD1-CG 4.18Å; L357-M359 HydrophobicContact CD1-SD 4.27Å; L357-M359 HydrophobicContact CG-CG 4.27Å; M359-L361 HydrophobicContact CB-CD1 3.69Å; M359-L361 HydrophobicContact CB-CD2 4.43Å; M359-L361 HydrophobicContact CB-CG 3.74Å; M359-L361 HydrophobicContact SD-CD1 4.43Å; M359-F394 HydrophobicContact CB-CE2 4.07Å; M359-F394 HydrophobicContact CB-CZ 4.49Å; M359-F394 HydrophobicContact CG-CE2 3.93Å; M359-F394 HydrophobicContact CG-CZ 4.23Å; M359-F394 HydrophobicContact SD-CE1 4.24Å; M359-F394 HydrophobicContact SD-CE2 3.81Å; M359-F394 HydrophobicContact SD-CZ 3.47Å; M359-F394 WeakPolarHBondContact SD-CZ 3.32Å; M359-F411 HydrophobicContact CE-CZ 4.48Å; M359-F411 HydrophobicContact SD-CE1 3.98Å; M359-F411 HydrophobicContact SD-CZ 3.84Å
360R93.2Very high95.5Very high28 Ų2835.9 Ų35.911%0.10618%0.183CC..  trans58.252.5179.3-63.7-173-175.3-65-13.4112.3V304 D323 D344 C346 T347V304-R360 HydrophobicContact CG2-CB 4.11Å; D323-R360 IonicContact OD1-NH2 3.27Å; D323-R360 IonicContact OD2-CZ 3.6Å; D323-R360 IonicContact OD2-NE 2.65Å; D323-R360 IonicContact OD2-NH2 2.58Å; D323-R360 PolarHBondContact OD2-NH2 2.92Å; D344-R360 VanDerWaalsContact CA-NH1 3.34Å; D344-R360 HydrophobicContact CB-CB 4.28Å; D344-R360 HydrophobicContact CB-CG 4.41Å; D344-R360 PolarHBondContact O-NH1 3.48Å; D344-R360 VanDerWaalsContact OD1-C 3.31Å; D344-R360 WeakPolarHBondContact OD1-CA 3.46Å; D344-R360 WeakPolarHBondContact OD1-CB 3.26Å; C346-R360 VanDerWaalsContact O-CZ 3.28Å; C346-R360 PolarHBondContact O-NH1 3.14Å; C346-R360 PolarHBondContact O-NH2 3.46Å; T347-R360 PolarHBondContact OG1-NH2 2.82Å
361L92.5Very high95.6Very high19 Ų1934.2 Ų34.210%0.09918%0.177CC..  trans-105.4159.1-178-58.2172.2000110.6F178 M359 T363 Q364 A365 F394 H396F178-L361 HydrophobicContact CE1-CD2 4.37Å; F178-L361 HydrophobicContact CZ-CD2 4.06Å; M359-L361 HydrophobicContact CB-CD1 3.69Å; M359-L361 HydrophobicContact CB-CD2 4.43Å; M359-L361 HydrophobicContact CB-CG 3.74Å; M359-L361 HydrophobicContact SD-CD1 4.43Å; L361-T363 PolarHBondContact O-N 3.1Å; L361-Q364 PolarHBondContact O-N 2.99Å; L361-Q364 VanDerWaalsContact O-N 3.12Å; L361-A365 PolarHBondContact O-N 2.84Å; L361-F394 HydrophobicContact CD1-CE2 3.88Å; L361-F394 HydrophobicContact CD1-CZ 3.68Å; L361-H396 HydrophobicContact CD1-CB 4.1Å
362W91.5Very high95.8Very high40 Ų4026 Ų2615%0.15214%0.139CC..Hα-helixtrans-59.5-33.1176.952.475.2000113F58 P227 A365 R366 H396F58-W362 AromaticContact CE2-CD1 3.91Å; F58-W362 AromaticContact CZ-CD1 3.72Å; P227-W362 HydrophobicContact CB-CH2 4.11Å; P227-W362 HydrophobicContact CB-CZ2 3.63Å; P227-W362 HydrophobicContact CG-CZ2 4.32Å; W362-A365 WeakPolarHBondContact O-CB 3.25Å; W362-A365 PolarHBondContact O-N 2.75Å; W362-R366 PolarHBondContact O-N 2.77Å; W362-H396 AromaticContact CE2-CE1 3.54Å; W362-H396 AromaticContact CZ2-CE1 3.63Å; W362-H396 AromaticContact CZ2-NE2 3.85Å; W362-H396 AromaticContact NE1-CE1 3.57Å
363T93Very high96Very high5 Ų523.3 Ų23.33%0.03112%0.121CC..Hα-helixtrans-60.5-48.6174.751.50000110.8F58 L361 R366 Q367 H396F58-T363 HydrophobicContact CE1-CG2 4.04Å; F58-T363 HydrophobicContact CZ-CG2 4.36Å; L361-T363 PolarHBondContact O-N 3.1Å; T363-R366 WeakPolarHBondContact O-CB 3.28Å; T363-R366 PolarHBondContact O-N 3.29Å; T363-Q367 WeakPolarHBondContact O-CG 3.2Å; T363-Q367 PolarHBondContact O-N 3.49Å; T363-H396 WeakPolarHBondContact CG2-ND1 3.18Å; T363-H396 PolarHBondContact OG1-ND1 3.15Å; T363-H396 VanDerWaalsContact OG1-ND1 3.14Å
364Q95.7Very high96.1Very high3 Ų325.1 Ų25.11%0.01412%0.123CC..Hα-helixtrans-67.9-35.6175.9-68.7-173.3-30.800112.4L357 L361 R366 Q367 M368L357-Q364 PolarHBondContact O-NE2 2.89Å; L361-Q364 PolarHBondContact O-N 2.99Å; L361-Q364 VanDerWaalsContact O-N 3.12Å; Q364-R366 VanDerWaalsContact C-N 3.31Å; Q364-R366 PolarHBondContact O-N 3.15Å; Q364-Q367 PolarHBondContact O-N 3.11Å; Q364-M368 VanDerWaalsContact O-CB 3.24Å; Q364-M368 WeakPolarHBondContact O-CB 3.47Å; Q364-M368 WeakPolarHBondContact O-CG 3.37Å; Q364-M368 PolarHBondContact O-N 2.84Å
365A96.3Very high96.3Very high11 Ų1120.1 Ų20.19%0.0919%0.09CC..Hα-helixtrans-58.8-44.6173.800000111V15 A16 L361 W362 G369V15-A365 HydrophobicContact CB-CB 4.39Å; A16-A365 WeakPolarHBondContact CA-O 3.48Å; A16-A365 HydrophobicContact CB-CB 4.14Å; A16-A365 VanDerWaalsContact CB-O 3.28Å; A16-A365 WeakPolarHBondContact CB-O 3.44Å; L361-A365 PolarHBondContact O-N 2.84Å; W362-A365 WeakPolarHBondContact O-CB 3.25Å; W362-A365 PolarHBondContact O-N 2.75Å; A365-G369 PolarHBondContact O-N 2.77Å
366R96.3Very high96.4Very high53 Ų5318.9 Ų18.920%0.29%0.085CC..Hα-helixtrans-61.6-53.9173.7-174.8-157.1174.8-98.8-5.5111.4V15 S19 V45 E56 F58 W362 T363 Q364 M368 G369 A370V15-R366 HydrophobicContact CG1-CB 3.74Å; V15-R366 HydrophobicContact CG1-CG 4.46Å; S19-R366 WeakPolarHBondContact OG-CG 2.95Å; V45-R366 HydrophobicContact CG2-CG 4Å; E56-R366 IonicContact OE1-CZ 2.74Å; E56-R366 IonicContact OE1-NH1 2.66Å; E56-R366 PolarHBondContact OE1-NH1 3.23Å; E56-R366 VanDerWaalsContact OE2-CD 3.3Å; E56-R366 WeakPolarHBondContact OE2-CD 3.26Å; E56-R366 IonicContact OE2-CZ 3.09Å; E56-R366 VanDerWaalsContact OE2-CZ 3.26Å; E56-R366 IonicContact OE2-NE 2.69Å; E56-R366 PolarHBondContact OE2-NE 2.92Å; E56-R366 IonicContact OE2-NH1 2.62Å; E56-R366 PolarHBondContact OE2-NH1 3.22Å; F58-R366 HydrophobicContact CE1-CB 4.43Å; F58-R366 HydrophobicContact CZ-CB 4.08Å; W362-R366 PolarHBondContact O-N 2.77Å; T363-R366 WeakPolarHBondContact O-CB 3.28Å; T363-R366 PolarHBondContact O-N 3.29Å; Q364-R366 VanDerWaalsContact C-N 3.31Å; Q364-R366 PolarHBondContact O-N 3.15Å; R366-M368 PolarHBondContact O-N 2.98Å; R366-G369 PolarHBondContact O-N 3.1Å; R366-A370 WeakPolarHBondContact O-CB 3.37Å; R366-A370 PolarHBondContact O-N 2.76Å
367Q96.6Very high96.5Very high7 Ų718.3 Ų18.33%0.0338%0.082CC..Hα-helixtrans-57.3-51-176.8-72.9166.8-14.600111.5T363 Q364 A370 F371 C390T363-Q367 WeakPolarHBondContact O-CG 3.2Å; T363-Q367 PolarHBondContact O-N 3.49Å; Q364-Q367 PolarHBondContact O-N 3.11Å; Q367-A370 PolarHBondContact O-N 3.28Å; Q367-F371 WeakPolarHBondContact O-CB 3.26Å; Q367-F371 PolarHBondContact O-N 3.03Å; Q367-C390 HydrophobicContact CB-CB 4.34Å; Q367-C390 HydrophobicContact CG-CB 3.88Å
368M98.4Very high96.7Very high1 Ų116.9 Ų16.91%0.0058%0.076CC..Hα-helixtrans-65.1-40.2177.4-64.517887.300112I328 M332 A342 C346 Q364 R366 F371 A372 F391I328-M368 HydrophobicContact CD1-CE 3.62Å; M332-M368 HydrophobicContact SD-CB 4.49Å; M332-M368 HydrophobicContact SD-CE 4.29Å; A342-M368 HydrophobicContact CB-CB 4.3Å; C346-M368 WeakPolarHBondContact SG-CE 3.41Å; Q364-M368 VanDerWaalsContact O-CB 3.24Å; Q364-M368 WeakPolarHBondContact O-CB 3.47Å; Q364-M368 WeakPolarHBondContact O-CG 3.37Å; Q364-M368 PolarHBondContact O-N 2.84Å; R366-M368 PolarHBondContact O-N 2.98Å; M368-F371 PolarHBondContact O-N 3.09Å; M368-A372 WeakPolarHBondContact O-CB 3.28Å; M368-A372 PolarHBondContact O-N 3.24Å; M368-F391 HydrophobicContact CG-CE1 3.86Å; M368-F391 HydrophobicContact CG-CZ 4.07Å
369G98.6Very high96.8Very high0 Ų016.2 Ų16.20%07%0.074CC..Hα-helixtrans-61-50.5176.500000112A16 C20 A365 R366 F371 A372 G373A16-G369 VanDerWaalsContact O-CA 3.24Å; A16-G369 WeakPolarHBondContact O-CA 3.39Å; C20-G369 WeakPolarHBondContact CA-O 3.47Å; C20-G369 VanDerWaalsContact CB-O 3.28Å; C20-G369 WeakPolarHBondContact CB-O 3.46Å; C20-G369 PolarHBondContact N-O 2.88Å; A365-G369 PolarHBondContact O-N 2.77Å; R366-G369 PolarHBondContact O-N 3.1Å; G369-F371 VanDerWaalsContact C-N 3.35Å; G369-F371 PolarHBondContact O-N 3.07Å; G369-A372 PolarHBondContact O-N 3.39Å; G369-G373 PolarHBondContact O-N 3.17Å
370A98.3Very high97Very high3 Ų316.7 Ų16.73%0.0258%0.075CC..Hα-helixtrans-62.4-42.417800000111.8Q23 R366 Q367 G373 R374Q23-A370 HydrophobicContact CG-CB 3.9Å; Q23-A370 WeakPolarHBondContact CG-O 3.41Å; R366-A370 WeakPolarHBondContact O-CB 3.37Å; R366-A370 PolarHBondContact O-N 2.76Å; Q367-A370 PolarHBondContact O-N 3.28Å; A370-G373 PolarHBondContact O-N 3Å; A370-R374 PolarHBondContact O-N 3.4Å; A370-R374 VanDerWaalsContact O-N 3.14Å
371F98.6Very high97.1Very high1 Ų121 Ų210%0.00410%0.095CC..Hα-helixtrans-68.4-39.8178.1-168.4-107.8000112.4D330 M332 Q367 M368 G369 G373 R374 C375 M385 E386 L387 D388 F391D330-F371 WeakPolarHBondContact O-CE1 3.46Å; M332-F371 HydrophobicContact CE-CB 4.37Å; M332-F371 HydrophobicContact CE-CD1 3.35Å; M332-F371 HydrophobicContact CE-CE1 4.01Å; M332-F371 HydrophobicContact CE-CG 4.26Å; M332-F371 HydrophobicContact CG-CD1 3.61Å; M332-F371 HydrophobicContact CG-CE1 4.22Å; M332-F371 HydrophobicContact SD-CD1 4.28Å; Q367-F371 WeakPolarHBondContact O-CB 3.26Å; Q367-F371 PolarHBondContact O-N 3.03Å; M368-F371 PolarHBondContact O-N 3.09Å; G369-F371 VanDerWaalsContact C-N 3.35Å; G369-F371 PolarHBondContact O-N 3.07Å; F371-G373 VanDerWaalsContact C-N 3.32Å; F371-G373 PolarHBondContact O-N 3.27Å; F371-R374 CarbonylContact O-C 3.6Å; F371-R374 WeakPolarHBondContact O-CA 3.46Å; F371-R374 WeakPolarHBondContact O-CB 3.32Å; F371-R374 PolarHBondContact O-N 3.39Å; F371-R374 VanDerWaalsContact O-N 3.09Å; F371-C375 VanDerWaalsContact CD1-SG 3.58Å; F371-C375 WeakPolarHBondContact CE1-SG 3.28Å; F371-C375 VanDerWaalsContact CZ-SG 3.58Å; F371-C375 PolarHBondContact O-N 3.04Å; F371-C375 PolarHBondContact O-SG 3.14Å; F371-C375 VanDerWaalsContact O-SG 3.35Å; F371-M385 HydrophobicContact CE2-CB 4.14Å; F371-M385 HydrophobicContact CZ-CB 4.03Å; F371-E386 VanDerWaalsContact CE2-O 3.24Å; F371-E386 WeakPolarHBondContact CE2-O 3.14Å; F371-E386 VanDerWaalsContact CZ-O 3.31Å; F371-E386 WeakPolarHBondContact CZ-O 3.29Å; F371-L387 HydrophobicContact CE1-CD1 3.79Å; F371-L387 HydrophobicContact CZ-CD1 4.1Å; F371-D388 HydrophobicContact CD2-CB 3.61Å; F371-D388 HydrophobicContact CE2-CB 3.82Å; F371-D388 HydrophobicContact CG-CB 4.44Å; F371-F391 HydrophobicContact CB-CE2 3.93Å; F371-F391 HydrophobicContact CB-CZ 4.21Å; F371-F391 AromaticContact CD1-CE2 3.8Å; F371-F391 HydrophobicContact CD1-CE2 3.8Å; F371-F391 HydrophobicContact CD1-CZ 4.37Å; F371-F391 HydrophobicContact CD2-CE2 4.37Å; F371-F391 HydrophobicContact CE1-CE2 4.36Å; F371-F391 AromaticContact CG-CE2 3.77Å; F371-F391 HydrophobicContact CG-CE2 3.77Å; F371-F391 HydrophobicContact CG-CZ 4.43Å
372A98.9Very high97.3Very high0 Ų023.5 Ų23.50%013%0.125CC..Hα-helixtrans-59.5-41.717400000112.1M332 A342 M368 G369 R374 C375 M376M332-A372 HydrophobicContact CB-CB 3.91Å; M332-A372 HydrophobicContact CG-CB 4Å; A342-A372 HydrophobicContact CB-CB 3.9Å; M368-A372 WeakPolarHBondContact O-CB 3.28Å; M368-A372 PolarHBondContact O-N 3.24Å; G369-A372 PolarHBondContact O-N 3.39Å; A372-R374 VanDerWaalsContact C-N 3.32Å; A372-R374 PolarHBondContact O-N 3.26Å; A372-C375 PolarHBondContact O-N 3.48Å; A372-M376 WeakPolarHBondContact O-CB 3.45Å; A372-M376 WeakPolarHBondContact O-CG 3.13Å; A372-M376 PolarHBondContact O-N 2.97Å
373G98.8Very high97.6Very high0 Ų027.2 Ų27.20%014%0.144CC..Hα-helixtrans-60.5-41.117400000112.6L24 G369 A370 F371 A377L24-G373 WeakPolarHBondContact CD2-O 3.14Å; G369-G373 PolarHBondContact O-N 3.17Å; A370-G373 PolarHBondContact O-N 3Å; F371-G373 VanDerWaalsContact C-N 3.32Å; F371-G373 PolarHBondContact O-N 3.27Å; G373-A377 WeakPolarHBondContact O-CB 3.38Å; G373-A377 PolarHBondContact O-N 2.98Å
374R98.7Very high97.6Very high71 Ų7134.3 Ų34.327%0.26818%0.177SC..Hα-helixtrans-64.3-48.6174.3-73.2-174-93.1-173.66112.1L27 A370 F371 A372 M376 A377 S378 M385 D388L27-R374 HydrophobicContact CD1-CB 4.42Å; L27-R374 HydrophobicContact CD1-CG 3.69Å; A370-R374 PolarHBondContact O-N 3.4Å; A370-R374 VanDerWaalsContact O-N 3.14Å; F371-R374 CarbonylContact O-C 3.6Å; F371-R374 WeakPolarHBondContact O-CA 3.46Å; F371-R374 WeakPolarHBondContact O-CB 3.32Å; F371-R374 PolarHBondContact O-N 3.39Å; F371-R374 VanDerWaalsContact O-N 3.09Å; A372-R374 VanDerWaalsContact C-N 3.32Å; A372-R374 PolarHBondContact O-N 3.26Å; R374-M376 PolarHBondContact O-N 2.97Å; R374-A377 PolarHBondContact O-N 2.97Å; R374-S378 PolarHBondContact O-N 3.26Å; R374-S378 PolarHBondContact O-OG 3.17Å; R374-S378 VanDerWaalsContact O-OG 3.12Å; R374-M385 HydrophobicContact CB-CE 4.24Å; R374-M385 HydrophobicContact CB-CG 4.48Å; R374-D388 IonicContact CZ-OD2 3.59Å; R374-D388 IonicContact NH1-OD2 3.58Å; R374-D388 IonicContact NH2-OD2 2.67Å; R374-D388 PolarHBondContact NH2-OD2 2.86Å
375C98.8Very high97.5Very high0 Ų036.8 Ų36.80%019%0.189CC..Hα-helixtrans-59.4-45.1176.5-67.10000112.1Q331 Y340 F371 A372 A377 S378 N379Q331-C375 WeakPolarHBondContact O-CB 3.47Å; Y340-C375 HydrophobicContact CE1-CB 4.2Å; F371-C375 VanDerWaalsContact CD1-SG 3.58Å; F371-C375 WeakPolarHBondContact CE1-SG 3.28Å; F371-C375 VanDerWaalsContact CZ-SG 3.58Å; F371-C375 PolarHBondContact O-N 3.04Å; F371-C375 PolarHBondContact O-SG 3.14Å; F371-C375 VanDerWaalsContact O-SG 3.35Å; A372-C375 PolarHBondContact O-N 3.48Å; C375-A377 PolarHBondContact O-N 3.36Å; C375-S378 PolarHBondContact O-N 2.82Å; C375-N379 WeakPolarHBondContact O-CB 3.47Å; C375-N379 PolarHBondContact O-N 3.47Å
376M98.8Very high97.4Very high0 Ų044.8 Ų44.80%023%0.225CC..Hα-helixtrans-61.3-43.7177.5-74.4170.769.400112.1F8 L24 K104 C106 Y340 A372 R374 F380F8-M376 HydrophobicContact CB-CE 4.33Å; F8-M376 HydrophobicContact CD1-CB 4.38Å; F8-M376 HydrophobicContact CD1-CE 3.82Å; F8-M376 HydrophobicContact CE1-CB 4.26Å; L24-M376 HydrophobicContact CD1-CE 3.97Å; L24-M376 HydrophobicContact CD1-SD 4.39Å; L24-M376 HydrophobicContact CD2-CB 3.92Å; K104-M376 HydrophobicContact CB-CE 4.04Å; C106-M376 HydrophobicContact CB-CE 4.01Å; C106-M376 HydrophobicContact CB-SD 3.58Å; C106-M376 VanDerWaalsContact CB-SD 3.58Å; Y340-M376 HydrophobicContact CD1-CG 3.79Å; Y340-M376 HydrophobicContact CD2-CG 3.53Å; Y340-M376 HydrophobicContact CD2-SD 4.23Å; Y340-M376 HydrophobicContact CE1-CG 4.03Å; Y340-M376 HydrophobicContact CE2-CG 3.81Å; Y340-M376 HydrophobicContact CG-CG 3.57Å; Y340-M376 HydrophobicContact CG-SD 4.17Å; A372-M376 WeakPolarHBondContact O-CB 3.45Å; A372-M376 WeakPolarHBondContact O-CG 3.13Å; A372-M376 PolarHBondContact O-N 2.97Å; R374-M376 PolarHBondContact O-N 2.97Å; M376-F380 VanDerWaalsContact O-CB 3.23Å; M376-F380 WeakPolarHBondContact O-CB 3.42Å; M376-F380 PolarHBondContact O-N 3.36Å
377A98.7Very high97.3Very high1 Ų145 Ų451%0.00823%0.23CC..Hα-helixtrans-63.7-47.6177.400000112L24 L27 C28 G373 R374 C375 F380 K381L24-A377 HydrophobicContact CD2-CB 4.3Å; L27-A377 HydrophobicContact CB-CB 3.94Å; L27-A377 HydrophobicContact CD1-CB 4.16Å; C28-A377 VanDerWaalsContact SG-CB 3.57Å; G373-A377 WeakPolarHBondContact O-CB 3.38Å; G373-A377 PolarHBondContact O-N 2.98Å; R374-A377 PolarHBondContact O-N 2.97Å; C375-A377 PolarHBondContact O-N 3.36Å; A377-F380 PolarHBondContact O-N 3.11Å; A377-K381 WeakPolarHBondContact O-CG 3.1Å; A377-K381 PolarHBondContact O-N 3.48Å
378S98.4Very high97.2Very high15 Ų1546.6 Ų46.611%0.10524%0.239CC..Hα-helixtrans-66.3-46.7179.7-600000111.6R374 C375 F380 K381 G382 E383 M385R374-S378 PolarHBondContact O-N 3.26Å; R374-S378 PolarHBondContact O-OG 3.17Å; R374-S378 VanDerWaalsContact O-OG 3.12Å; C375-S378 PolarHBondContact O-N 2.82Å; S378-F380 VanDerWaalsContact C-N 3.29Å; S378-F380 PolarHBondContact O-N 3.5Å; S378-K381 CarbonylContact O-C 3.46Å; S378-K381 WeakPolarHBondContact O-CA 3.09Å; S378-K381 WeakPolarHBondContact O-CB 3.43Å; S378-K381 PolarHBondContact O-N 3.37Å; S378-G382 PolarHBondContact O-N 2.89Å; S378-G382 VanDerWaalsContact O-N 3.14Å; S378-E383 CarbonylContact C-O 3.27Å; S378-E383 VanDerWaalsContact C-O 3.3Å; S378-E383 PolarHBondContact O-N 2.94Å; S378-M385 WeakPolarHBondContact OG-CG 3.19Å; S378-M385 PolarHBondContact OG-SD 2.68Å
379N98.3Very high96.9Very high35 Ų3550.7 Ų50.719%0.18726%0.26CS..Hα-helixtrans-63.5-35.4179.1-171.8-83000112.2K104 E333 Y340 C375 K381 G382 E383K104-N379 WeakPolarHBondContact CE-OD1 3.3Å; K104-N379 PolarHBondContact NZ-OD1 3.46Å; E333-N379 PolarHBondContact OE1-ND2 3.44Å; Y340-N379 WeakPolarHBondContact OH-CB 3.4Å; Y340-N379 PolarHBondContact OH-OD1 2.87Å; C375-N379 WeakPolarHBondContact O-CB 3.47Å; C375-N379 PolarHBondContact O-N 3.47Å; N379-K381 PolarHBondContact O-N 2.91Å; N379-G382 PolarHBondContact O-N 2.99Å; N379-E383 VanDerWaalsContact CA-O 3.26Å; N379-E383 WeakPolarHBondContact CA-O 3.33Å; N379-E383 PolarHBondContact N-O 3.3Å
380F97.8Very high96.7Very high57 Ų5751.1 Ų51.125%0.2526%0.262CS..Hα-helixtrans-62.5-31.6172.1-178.5-105.1000113T7 F8 E31 M376 A377 S378 G382T7-F380 HydrophobicContact CG2-CD2 4.03Å; T7-F380 HydrophobicContact CG2-CE1 4.14Å; T7-F380 HydrophobicContact CG2-CE2 3.54Å; T7-F380 HydrophobicContact CG2-CZ 3.59Å; F8-F380 HydrophobicContact CE1-CB 3.96Å; F8-F380 HydrophobicContact CE1-CG 4.21Å; F8-F380 HydrophobicContact CZ-CB 3.81Å; F8-F380 AromaticContact CZ-CD1 3.93Å; F8-F380 HydrophobicContact CZ-CD1 3.93Å; F8-F380 HydrophobicContact CZ-CD2 4.36Å; F8-F380 AromaticContact CZ-CG 3.77Å; F8-F380 HydrophobicContact CZ-CG 3.77Å; E31-F380 HydrophobicContact CG-CE1 3.93Å; E31-F380 WeakPolarHBondContact OE1-CE1 3.48Å; M376-F380 VanDerWaalsContact O-CB 3.23Å; M376-F380 WeakPolarHBondContact O-CB 3.42Å; M376-F380 PolarHBondContact O-N 3.36Å; A377-F380 PolarHBondContact O-N 3.11Å; S378-F380 VanDerWaalsContact C-N 3.29Å; S378-F380 PolarHBondContact O-N 3.5Å; F380-G382 VanDerWaalsContact C-N 3.29Å
381K97Very high96.5Very high119 Ų11951 Ų5152%0.51726%0.261SS..THydrogen-bonded Turntrans-84.50174.8-64.6169.6-173.8172.50113.3L27 A377 S378 N379L27-K381 PolarHBondContact O-NZ 3.45Å; A377-K381 WeakPolarHBondContact O-CG 3.1Å; A377-K381 PolarHBondContact O-N 3.48Å; S378-K381 CarbonylContact O-C 3.46Å; S378-K381 WeakPolarHBondContact O-CA 3.09Å; S378-K381 WeakPolarHBondContact O-CB 3.43Å; S378-K381 PolarHBondContact O-N 3.37Å; N379-K381 PolarHBondContact O-N 2.91Å
382G96.4Very high96.4Very high72 Ų7255.2 Ų55.274%0.74228%0.281SS*.THydrogen-bonded Turntrans81.418.7-17800000114.1S378 N379 F380S378-G382 PolarHBondContact O-N 2.89Å; S378-G382 VanDerWaalsContact O-N 3.14Å; N379-G382 PolarHBondContact O-N 2.99Å; F380-G382 VanDerWaalsContact C-N 3.29Å
383E96.7Very high96.2Very high118 Ų11855.2 Ų55.255%0.55128%0.281SS*.  trans-110.7170-179.8-62.7173.517700110.8S378 N379S378-E383 CarbonylContact C-O 3.27Å; S378-E383 VanDerWaalsContact C-O 3.3Å; S378-E383 PolarHBondContact O-N 2.94Å; N379-E383 VanDerWaalsContact CA-O 3.26Å; N379-E383 WeakPolarHBondContact CA-O 3.33Å; N379-E383 PolarHBondContact N-O 3.3Å
384Q93.5Very high96.1Very high153 Ų15355.3 Ų55.372%0.71528%0.281SS*.  trans-125.1154.3174.3-70.5-174.9-30.200110.1
385M93.5Very high96Very high55 Ų5552.1 Ų52.127%0.27127%0.27SS..PPolyproline II helixtrans-101.6138.9175.9-70.9-64-60.400110Q331 F371 R374 S378Q331-M385 PolarHBondContact NE2-O 2.86Å; F371-M385 HydrophobicContact CE2-CB 4.14Å; F371-M385 HydrophobicContact CZ-CB 4.03Å; R374-M385 HydrophobicContact CB-CE 4.24Å; R374-M385 HydrophobicContact CB-CG 4.48Å; S378-M385 WeakPolarHBondContact OG-CG 3.19Å; S378-M385 PolarHBondContact OG-SD 2.68Å
386E94.9Very high95.8Very high179 Ų17952.2 Ų52.284%0.83627%0.27SS*.PPolyproline II helixtrans-71.5147.6160.9-68.4-179173.300109.3F371 D388F371-E386 VanDerWaalsContact CE2-O 3.24Å; F371-E386 WeakPolarHBondContact CE2-O 3.14Å; F371-E386 VanDerWaalsContact CZ-O 3.31Å; F371-E386 WeakPolarHBondContact CZ-O 3.29Å; E386-D388 PolarHBondContact O-N 3.44Å
387L94.2Very high95.5Very high58 Ų5852.9 Ų52.930%0.30427%0.274SS..PPolyproline II helixtrans-60.5131.4179.6-166.867.3000109.9D330 W350 F371 F391D330-L387 HydrophobicContact CB-CD1 4.38Å; W350-L387 HydrophobicContact CG-CD2 4.48Å; W350-L387 HydrophobicContact CZ2-CD1 4.26Å; F371-L387 HydrophobicContact CE1-CD1 3.79Å; F371-L387 HydrophobicContact CZ-CD1 4.1Å; L387-F391 HydrophobicContact CD1-CB 4.26Å; L387-F391 HydrophobicContact CD1-CD2 3.45Å; L387-F391 VanDerWaalsContact CD1-CD2 3.45Å; L387-F391 HydrophobicContact CD1-CE2 3.99Å; L387-F391 HydrophobicContact CD1-CG 3.93Å; L387-F391 HydrophobicContact CD2-CB 3.73Å; L387-F391 HydrophobicContact CD2-CD2 4.45Å; L387-F391 HydrophobicContact CD2-CG 4.29Å; L387-F391 HydrophobicContact CG-CB 3.83Å; L387-F391 HydrophobicContact CG-CD2 3.68Å; L387-F391 HydrophobicContact CG-CG 4.02Å
388D93.6Very high95.2Very high41 Ų4153 Ų5322%0.21928%0.275CS..PPolyproline II helixtrans-71.2150.8-175.9-164.13000111.7F371 R374 E386 C390 F391F371-D388 HydrophobicContact CD2-CB 3.61Å; F371-D388 HydrophobicContact CE2-CB 3.82Å; F371-D388 HydrophobicContact CG-CB 4.44Å; R374-D388 IonicContact CZ-OD2 3.59Å; R374-D388 IonicContact NH1-OD2 3.58Å; R374-D388 IonicContact NH2-OD2 2.67Å; R374-D388 PolarHBondContact NH2-OD2 2.86Å; E386-D388 PolarHBondContact O-N 3.44Å; D388-C390 PolarHBondContact O-N 3.28Å; D388-F391 HydrophobicContact CB-CD2 4.2Å; D388-F391 HydrophobicContact CB-CE2 4.28Å; D388-F391 WeakPolarHBondContact O-CD2 3.23Å; D388-F391 PolarHBondContact O-N 3.44Å
389I92.5Very high94.7Very high87 Ų8757.2 Ų57.245%0.44629%0.291SS..G310 helixtrans-59.6-21.4-177.461.4172.5000112.9I54 F391 E392I54-I389 HydrophobicContact CD1-CB 4.3Å; I54-I389 HydrophobicContact CD1-CD1 4.31Å; I54-I389 HydrophobicContact CD1-CG1 4.33Å; I54-I389 HydrophobicContact CG1-CD1 4.01Å; I54-I389 HydrophobicContact CG1-CG1 4.34Å; I389-F391 PolarHBondContact O-N 3.36Å; I389-F391 VanDerWaalsContact O-N 3.11Å; I389-E392 WeakPolarHBondContact O-CB 3.12Å; I389-E392 PolarHBondContact O-N 2.94Å
390C93.4Very high94.3Very high8 Ų855.6 Ų55.65%0.05428%0.283CS..G310 helixtrans-64.3-11.1173.965.30000114.2I54 W356 Q367 D388I54-C390 HydrophobicContact CG2-CB 4.25Å; W356-C390 PolarHBondContact NE1-O 3.12Å; W356-C390 VanDerWaalsContact NE1-O 3.14Å; Q367-C390 HydrophobicContact CB-CB 4.34Å; Q367-C390 HydrophobicContact CG-CB 3.88Å; D388-C390 PolarHBondContact O-N 3.28Å
391F96.1Very high93.9Very high2 Ų253.2 Ų53.21%0.00927%0.272CS..G310 helixtrans-96.80.6171.8-58.9-69.6000113.7M332 W350 W356 M368 F371 L387 D388 I389M332-F391 HydrophobicContact CE-CE1 3.85Å; M332-F391 HydrophobicContact CE-CE2 3.7Å; M332-F391 HydrophobicContact CE-CZ 3.23Å; W350-F391 HydrophobicContact CH2-CD1 4.34Å; W350-F391 HydrophobicContact CH2-CE1 4.31Å; W350-F391 AromaticContact CZ2-CD1 3.72Å; W350-F391 HydrophobicContact CZ2-CD1 3.72Å; W350-F391 HydrophobicContact CZ2-CE1 4.14Å; W350-F391 HydrophobicContact CZ2-CG 4.12Å; W356-F391 WeakPolarHBondContact CB-O 3.39Å; W356-F391 AromaticContact CE2-CD1 3.85Å; W356-F391 VanDerWaalsContact CG-O 3.23Å; W356-F391 HydrophobicContact CH2-CD1 4.38Å; W356-F391 AromaticContact CZ2-CD1 3.68Å; W356-F391 HydrophobicContact CZ2-CD1 3.68Å; W356-F391 HydrophobicContact CZ2-CE1 4.11Å; W356-F391 AromaticContact NE1-CD1 4Å; M368-F391 HydrophobicContact CG-CE1 3.86Å; M368-F391 HydrophobicContact CG-CZ 4.07Å; F371-F391 HydrophobicContact CB-CE2 3.93Å; F371-F391 HydrophobicContact CB-CZ 4.21Å; F371-F391 AromaticContact CD1-CE2 3.8Å; F371-F391 HydrophobicContact CD1-CE2 3.8Å; F371-F391 HydrophobicContact CD1-CZ 4.37Å; F371-F391 HydrophobicContact CD2-CE2 4.37Å; F371-F391 HydrophobicContact CE1-CE2 4.36Å; F371-F391 AromaticContact CG-CE2 3.77Å; F371-F391 HydrophobicContact CG-CE2 3.77Å; F371-F391 HydrophobicContact CG-CZ 4.43Å; L387-F391 HydrophobicContact CD1-CB 4.26Å; L387-F391 HydrophobicContact CD1-CD2 3.45Å; L387-F391 VanDerWaalsContact CD1-CD2 3.45Å; L387-F391 HydrophobicContact CD1-CE2 3.99Å; L387-F391 HydrophobicContact CD1-CG 3.93Å; L387-F391 HydrophobicContact CD2-CB 3.73Å; L387-F391 HydrophobicContact CD2-CD2 4.45Å; L387-F391 HydrophobicContact CD2-CG 4.29Å; L387-F391 HydrophobicContact CG-CB 3.83Å; L387-F391 HydrophobicContact CG-CD2 3.68Å; L387-F391 HydrophobicContact CG-CG 4.02Å; D388-F391 HydrophobicContact CB-CD2 4.2Å; D388-F391 HydrophobicContact CB-CE2 4.28Å; D388-F391 WeakPolarHBondContact O-CD2 3.23Å; D388-F391 PolarHBondContact O-N 3.44Å; I389-F391 PolarHBondContact O-N 3.36Å; I389-F391 VanDerWaalsContact O-N 3.11Å
392E95Very high93.4Very high89 Ų8949.9 Ų49.942%0.41627%0.272SS..THydrogen-bonded Turntrans-89.4-34.8176.2-66.1-171.8-163.700112.8S353 I389 M462S353-E392 VanDerWaalsContact CB-O 3.24Å; S353-E392 WeakPolarHBondContact CB-O 3.22Å; S353-E392 PolarHBondContact OG-O 3.03Å; I389-E392 WeakPolarHBondContact O-CB 3.12Å; I389-E392 PolarHBondContact O-N 2.94Å; E392-M462 HydrophobicContact CB-CE 4.23Å; E392-M462 WeakPolarHBondContact OE2-CE 3.23Å
393L96.1Very high93.2Very high0 Ų047.8 Ų47.80%024%0.242CC..BIsolated β-bridgetrans-131.6124.6-176.2-177.961.5000111.2I54 H355 T395 I408 E458 I461 M462I54-L393 HydrophobicContact CD1-CB 4.25Å; H355-L393 HydrophobicContact CB-CD1 3.69Å; L393-T395 HydrophobicContact CD2-CG2 4.11Å; L393-T395 HydrophobicContact CG-CG2 3.97Å; L393-T395 PolarHBondContact O-N 3.34Å; L393-I408 HydrophobicContact CD1-CG2 4.02Å; L393-I408 HydrophobicContact CD2-CG2 3.93Å; L393-I408 HydrophobicContact CG-CG2 4.19Å; L393-E458 HydrophobicContact CD2-CB 4.14Å; L393-E458 HydrophobicContact CD2-CG 3.9Å; L393-I461 HydrophobicContact CD1-CB 4.42Å; L393-I461 HydrophobicContact CD1-CD1 4.1Å; L393-I461 HydrophobicContact CD1-CG2 3.81Å; L393-M462 HydrophobicContact CB-SD 3.72Å; L393-M462 HydrophobicContact CD2-CG 4Å; L393-M462 HydrophobicContact CD2-SD 3.98Å; L393-M462 HydrophobicContact CG-SD 4.41Å
394F96.8Very high93Very high1 Ų144 Ų440%0.00422%0.224CC..  trans-70.2127.2171.4176.1-93000110.6H355 L357 M359 L361 H396 L407 I408 G409 F411H355-F394 WeakPolarHBondContact O-CB 3.37Å; H355-F394 PolarHBondContact O-N 2.77Å; L357-F394 HydrophobicContact CD2-CB 3.56Å; L357-F394 HydrophobicContact CD2-CD1 4.02Å; L357-F394 HydrophobicContact CD2-CD2 3.84Å; L357-F394 HydrophobicContact CD2-CG 3.52Å; L357-F394 HydrophobicContact CG-CD2 4.18Å; L357-F394 HydrophobicContact CG-CG 4.36Å; L357-F394 VanDerWaalsContact O-CD2 3.28Å; L357-F394 WeakPolarHBondContact O-CD2 3.34Å; M359-F394 HydrophobicContact CB-CE2 4.07Å; M359-F394 HydrophobicContact CB-CZ 4.49Å; M359-F394 HydrophobicContact CG-CE2 3.93Å; M359-F394 HydrophobicContact CG-CZ 4.23Å; M359-F394 HydrophobicContact SD-CE1 4.24Å; M359-F394 HydrophobicContact SD-CE2 3.81Å; M359-F394 HydrophobicContact SD-CZ 3.47Å; M359-F394 WeakPolarHBondContact SD-CZ 3.32Å; L361-F394 HydrophobicContact CD1-CE2 3.88Å; L361-F394 HydrophobicContact CD1-CZ 3.68Å; F394-H396 HydrophobicContact CE1-CB 4.05Å; F394-H396 HydrophobicContact CZ-CB 3.88Å; F394-L407 HydrophobicContact CD1-CB 4.49Å; F394-L407 HydrophobicContact CE1-CB 3.8Å; F394-L407 HydrophobicContact CE1-CD1 4.34Å; F394-I408 CarbonylContact O-C 3.6Å; F394-I408 WeakPolarHBondContact O-CA 3.43Å; F394-G409 PolarHBondContact O-N 3.48Å; F394-F411 AromaticContact CD1-CD1 3.74Å; F394-F411 HydrophobicContact CD1-CD1 3.74Å; F394-F411 AromaticContact CD1-CE1 3.75Å; F394-F411 HydrophobicContact CD1-CE1 3.75Å; F394-F411 AromaticContact CE1-CD1 3.68Å; F394-F411 HydrophobicContact CE1-CD1 3.68Å; F394-F411 AromaticContact CE1-CE1 3.37Å; F394-F411 HydrophobicContact CE1-CE1 3.37Å; F394-F411 HydrophobicContact CE1-CZ 4.34Å; F394-F411 HydrophobicContact CZ-CE1 4.07Å
395T95.6Very high93Very high4 Ų436.7 Ų36.73%0.02519%0.19CC..EExtended strand (participates in β ladder)trans-139.1133.1178.756.80000110.5L55 L393 L407 E458L55-T395 HydrophobicContact CB-CG2 4.32Å; L55-T395 HydrophobicContact CD1-CG2 4.29Å; L393-T395 HydrophobicContact CD2-CG2 4.11Å; L393-T395 HydrophobicContact CG-CG2 3.97Å; L393-T395 PolarHBondContact O-N 3.34Å; T395-L407 WeakPolarHBondContact CA-O 3.29Å; T395-E458 VanDerWaalsContact CG2-OE1 3.3Å; T395-E458 WeakPolarHBondContact CG2-OE1 3.44Å
396H94.7Very high93Very high2 Ų234.1 Ų34.11%0.00918%0.177CC..EExtended strand (participates in β ladder)trans-151.6131.4177-171.866000112.1L361 W362 T363 F394 I406 L407L361-H396 HydrophobicContact CD1-CB 4.1Å; W362-H396 AromaticContact CE2-CE1 3.54Å; W362-H396 AromaticContact CZ2-CE1 3.63Å; W362-H396 AromaticContact CZ2-NE2 3.85Å; W362-H396 AromaticContact NE1-CE1 3.57Å; T363-H396 WeakPolarHBondContact CG2-ND1 3.18Å; T363-H396 PolarHBondContact OG1-ND1 3.15Å; T363-H396 VanDerWaalsContact OG1-ND1 3.14Å; F394-H396 HydrophobicContact CE1-CB 4.05Å; F394-H396 HydrophobicContact CZ-CB 3.88Å; H396-I406 WeakPolarHBondContact O-CA 3.46Å; H396-L407 HydrophobicContact CB-CB 4.46Å; H396-L407 PolarHBondContact N-O 3.26Å; H396-L407 PolarHBondContact O-N 2.87Å
397V92.8Very high93.1Very high14 Ų1425.6 Ų25.69%0.08514%0.138CC..EExtended strand (participates in β ladder)trans-108.9127.3171.6-171.40000108.8L55 E56 K404 I406L55-V397 HydrophobicContact CD1-CG2 3.51Å; L55-V397 HydrophobicContact CD2-CG2 4.11Å; L55-V397 HydrophobicContact CG-CG2 3.8Å; E56-V397 WeakPolarHBondContact O-CG2 3.37Å; V397-K404 HydrophobicContact CG1-CG 4.4Å; V397-I406 HydrophobicContact CG1-CG1 4.18Å; V397-I406 HydrophobicContact CG2-CD1 4.4Å; V397-I406 HydrophobicContact CG2-CG1 4.13Å
398T91Very high93.2Very high5 Ų522.9 Ų22.93%0.03112%0.123CC..EExtended strand (participates in β ladder)trans-142.3-174.2170.9-168.50000110.3F400 V405T398-F400 HydrophobicContact CG2-CE1 3.96Å; T398-F400 HydrophobicContact CG2-CE2 4.15Å; T398-F400 HydrophobicContact CG2-CZ 3.75Å; T398-V405 HydrophobicContact CG2-CB 3.99Å; T398-V405 HydrophobicContact CG2-CG1 4.41Å; T398-V405 PolarHBondContact N-O 3.36Å; T398-V405 PolarHBondContact O-N 2.9Å
399K89.6Confident93.4Very high103 Ų10320.9 Ų20.945%0.44811%0.113SC..EExtended strand (participates in β ladder)trans-132.5134.8173.5-66.3173.9-174.1159.70110.5D228 F403D228-K399 IonicContact OD1-NZ 3.39Å; D228-K399 PolarHBondContact OD1-NZ 3.17Å; K399-F403 CarbonylContact C-O 3.51Å; K399-F403 WeakPolarHBondContact CA-O 3.43Å
400F90.1Very high93.6Very high1 Ų117 Ų170%0.0049%0.093CC..EExtended strand (participates in β ladder)trans-129.1130.2170.4-62.1-34000110T154 E155 F178 F187 T398 G402 F403 V405T154-F400 HydrophobicContact CG2-CB 4.02Å; T154-F400 HydrophobicContact CG2-CD1 3.62Å; T154-F400 HydrophobicContact CG2-CD2 3.94Å; T154-F400 HydrophobicContact CG2-CE1 4.07Å; T154-F400 HydrophobicContact CG2-CE2 4.33Å; T154-F400 HydrophobicContact CG2-CG 3.59Å; T154-F400 HydrophobicContact CG2-CZ 4.41Å; E155-F400 HydrophobicContact CG-CD1 4.04Å; E155-F400 HydrophobicContact CG-CE1 3.93Å; F178-F400 HydrophobicContact CB-CE2 3.91Å; F178-F400 HydrophobicContact CB-CZ 4.33Å; F178-F400 HydrophobicContact CD1-CE2 4.33Å; F178-F400 HydrophobicContact CD1-CZ 4.06Å; F178-F400 HydrophobicContact CG-CE2 4.16Å; F178-F400 HydrophobicContact CG-CZ 4.07Å; F187-F400 HydrophobicContact CE1-CB 4.12Å; F187-F400 HydrophobicContact CE2-CB 4.46Å; F187-F400 HydrophobicContact CE2-CD2 4.29Å; F187-F400 HydrophobicContact CZ-CB 3.99Å; F187-F400 HydrophobicContact CZ-CD2 4.32Å; T398-F400 HydrophobicContact CG2-CE1 3.96Å; T398-F400 HydrophobicContact CG2-CE2 4.15Å; T398-F400 HydrophobicContact CG2-CZ 3.75Å; F400-G402 PolarHBondContact O-N 2.83Å; F400-F403 PolarHBondContact N-O 3.16Å; F400-F403 PolarHBondContact O-N 3.31Å; F400-V405 HydrophobicContact CB-CG2 4.08Å; F400-V405 HydrophobicContact CD2-CB 4.43Å; F400-V405 HydrophobicContact CD2-CG1 4.41Å; F400-V405 HydrophobicContact CD2-CG2 3.86Å; F400-V405 HydrophobicContact CE2-CG1 4.48Å; F400-V405 HydrophobicContact CG-CG2 4.17Å
401F88.1Confident93.6Very high6 Ų616.7 Ų16.73%0.0269%0.091CC..THydrogen-bonded Turntrans53.838.4177.4-51.2-81.8000113.3T154 F187 L191 F403T154-F401 HydrophobicContact CG2-CD2 4.48Å; T154-F401 HydrophobicContact CG2-CE2 3.61Å; T154-F401 HydrophobicContact CG2-CZ 4.04Å; F187-F401 HydrophobicContact CB-CD2 3.65Å; F187-F401 HydrophobicContact CB-CE2 3.68Å; F187-F401 HydrophobicContact CB-CG 4.47Å; F187-F401 HydrophobicContact CD1-CB 4.24Å; F187-F401 AromaticContact CD1-CD2 3.43Å; F187-F401 HydrophobicContact CD1-CD2 3.43Å; F187-F401 VanDerWaalsContact CD1-CD2 3.43Å; F187-F401 HydrophobicContact CD1-CE2 4.2Å; F187-F401 HydrophobicContact CD1-CG 4.2Å; F187-F401 HydrophobicContact CD2-CD2 4.33Å; F187-F401 HydrophobicContact CD2-CE2 4.35Å; F187-F401 HydrophobicContact CE1-CD2 4.11Å; F187-F401 AromaticContact CG-CD2 3.55Å; F187-F401 HydrophobicContact CG-CD2 3.55Å; F187-F401 AromaticContact CG-CE2 3.84Å; F187-F401 HydrophobicContact CG-CE2 3.84Å; L191-F401 HydrophobicContact CD2-CE1 3.71Å; L191-F401 HydrophobicContact CD2-CZ 3.71Å; F401-F403 VanDerWaalsContact C-N 3.25Å; F401-F403 HydrophobicContact CB-CD2 4.43Å; F401-F403 VanDerWaalsContact O-CD2 3.25Å; F401-F403 WeakPolarHBondContact O-CD2 3.4Å; F401-F403 PolarHBondContact O-N 2.97Å
402G86.5Confident93.4Very high50 Ų5019.3 Ų19.352%0.51511%0.105SC..THydrogen-bonded Turntrans79.7-8.9-176.400000115.6F400F400-G402 PolarHBondContact O-N 2.83Å
403F91.6Very high93.3Very high28 Ų2815.7 Ų15.712%0.1239%0.092CC..EExtended strand (participates in β ladder)trans-91.6134.5177.7-62.1-87.4000111.1F186 F187 Y190 K399 F400 F401 V405 I448F186-F403 HydrophobicContact CE1-CD1 4.06Å; F186-F403 HydrophobicContact CE1-CD2 4.04Å; F186-F403 HydrophobicContact CE1-CE1 4.07Å; F186-F403 HydrophobicContact CE1-CE2 4.05Å; F186-F403 HydrophobicContact CE1-CG 4.05Å; F186-F403 HydrophobicContact CE1-CZ 4.07Å; F186-F403 HydrophobicContact CZ-CD1 4.17Å; F186-F403 AromaticContact CZ-CE1 3.88Å; F186-F403 HydrophobicContact CZ-CE1 3.88Å; F186-F403 HydrophobicContact CZ-CZ 4.07Å; F187-F403 HydrophobicContact CD1-CD2 4.44Å; F187-F403 HydrophobicContact CE1-CB 4.32Å; F187-F403 HydrophobicContact CE1-CD2 4.18Å; Y190-F403 AromaticContact CD1-CE2 3.95Å; Y190-F403 HydrophobicContact CD1-CE2 3.95Å; Y190-F403 HydrophobicContact CD1-CZ 4.43Å; Y190-F403 HydrophobicContact CD2-CE2 4.02Å; Y190-F403 AromaticContact CE1-CE2 3.82Å; Y190-F403 HydrophobicContact CE1-CE2 3.82Å; Y190-F403 AromaticContact CE1-CZ 3.84Å; Y190-F403 HydrophobicContact CE1-CZ 3.84Å; Y190-F403 AromaticContact CE2-CE2 3.89Å; Y190-F403 HydrophobicContact CE2-CE2 3.89Å; Y190-F403 HydrophobicContact CE2-CZ 4.08Å; Y190-F403 HydrophobicContact CG-CE2 4.07Å; Y190-F403 AromaticContact CZ-CE2 3.81Å; Y190-F403 AromaticContact CZ-CZ 3.66Å; K399-F403 CarbonylContact C-O 3.51Å; K399-F403 WeakPolarHBondContact CA-O 3.43Å; F400-F403 PolarHBondContact N-O 3.16Å; F400-F403 PolarHBondContact O-N 3.31Å; F401-F403 VanDerWaalsContact C-N 3.25Å; F401-F403 HydrophobicContact CB-CD2 4.43Å; F401-F403 VanDerWaalsContact O-CD2 3.25Å; F401-F403 WeakPolarHBondContact O-CD2 3.4Å; F401-F403 PolarHBondContact O-N 2.97Å; F403-V405 PolarHBondContact O-N 3.05Å; F403-I448 HydrophobicContact CB-CG2 3.61Å; F403-I448 HydrophobicContact CD1-CG2 4.41Å; F403-I448 HydrophobicContact CG-CG2 4.09Å
404K92.5Very high93.1Very high38 Ų3818.3 Ų18.317%0.16510%0.104CC..EExtended strand (participates in β ladder)trans-57.2132.4162.4-175.7-172.8-177.6-162.50109.1V397 I406 I448 G449 E450 E454V397-K404 HydrophobicContact CG1-CG 4.4Å; K404-I406 HydrophobicContact CD-CD1 4.33Å; K404-I406 VanDerWaalsContact CE-CD1 3.49Å; K404-I406 HydrophobicContact CG-CD1 4.48Å; K404-I406 HydrophobicContact CG-CG1 4.35Å; K404-I448 CarbonylContact O-C 3.56Å; K404-I448 VanDerWaalsContact O-CA 3.27Å; K404-I448 WeakPolarHBondContact O-CA 3.49Å; K404-G449 PolarHBondContact O-N 3.05Å; K404-E450 WeakPolarHBondContact CD-OE1 3.34Å; K404-E450 IonicContact NZ-OE2 3.03Å; K404-E450 PolarHBondContact NZ-OE2 3.17Å; K404-E450 VanDerWaalsContact NZ-OE2 3.08Å; K404-E454 IonicContact NZ-OE1 3.44Å; K404-E454 PolarHBondContact NZ-OE1 3.35Å
405V93.8Very high92.8Very high0 Ų022.5 Ų22.50%015%0.147CC..EExtended strand (participates in β ladder)trans-127123.3177.9-178.70000108.5F187 T398 F400 F403 L407 L447 I448F187-V405 HydrophobicContact CZ-CG2 3.89Å; T398-V405 HydrophobicContact CG2-CB 3.99Å; T398-V405 HydrophobicContact CG2-CG1 4.41Å; T398-V405 PolarHBondContact N-O 3.36Å; T398-V405 PolarHBondContact O-N 2.9Å; F400-V405 HydrophobicContact CB-CG2 4.08Å; F400-V405 HydrophobicContact CD2-CB 4.43Å; F400-V405 HydrophobicContact CD2-CG1 4.41Å; F400-V405 HydrophobicContact CD2-CG2 3.86Å; F400-V405 HydrophobicContact CE2-CG1 4.48Å; F400-V405 HydrophobicContact CG-CG2 4.17Å; F403-V405 PolarHBondContact O-N 3.05Å; V405-L407 HydrophobicContact CG1-CD2 4.1Å; V405-L447 CarbonylContact C-O 3.38Å; V405-L447 WeakPolarHBondContact CA-O 3.41Å; V405-I448 HydrophobicContact CG1-CG1 4.34Å; V405-I448 HydrophobicContact CG2-CG1 4.24Å; V405-I448 HydrophobicContact CG2-CG2 4.41Å
406I95Very high92.8Very high1 Ų123.6 Ų23.61%0.00515%0.153CC..EExtended strand (participates in β ladder)trans-119.1130.9177.8-61.6178.8000109.3V51 L55 H396 V397 K404 I408 V446 L447 E454V51-I406 HydrophobicContact CG1-CD1 4.4Å; L55-I406 HydrophobicContact CD1-CG2 4.04Å; L55-I406 HydrophobicContact CD2-CD1 3.85Å; L55-I406 HydrophobicContact CD2-CG1 4.45Å; L55-I406 HydrophobicContact CD2-CG2 3.6Å; H396-I406 WeakPolarHBondContact O-CA 3.46Å; V397-I406 HydrophobicContact CG1-CG1 4.18Å; V397-I406 HydrophobicContact CG2-CD1 4.4Å; V397-I406 HydrophobicContact CG2-CG1 4.13Å; K404-I406 HydrophobicContact CD-CD1 4.33Å; K404-I406 VanDerWaalsContact CE-CD1 3.49Å; K404-I406 HydrophobicContact CG-CD1 4.48Å; K404-I406 HydrophobicContact CG-CG1 4.35Å; I406-I408 HydrophobicContact CG2-CD1 3.95Å; I406-I408 HydrophobicContact CG2-CG1 3.7Å; I406-V446 WeakPolarHBondContact O-CA 3.35Å; I406-L447 HydrophobicContact CB-CB 4.19Å; I406-L447 PolarHBondContact N-O 3Å; I406-L447 PolarHBondContact O-N 2.79Å; I406-E454 HydrophobicContact CD1-CB 4.47Å; I406-E454 HydrophobicContact CD1-CG 3.21Å; I406-E454 WeakPolarHBondContact CD1-OE1 3.45Å
407L96Very high92.9Very high0 Ų028.4 Ų28.40%017%0.171CC..EExtended strand (participates in β ladder)trans-115.2128.1175.9-53.7-175.2000109.2F178 F394 T395 H396 V405 F411 V446F178-L407 HydrophobicContact CB-CD1 4.05Å; F178-L407 HydrophobicContact CD1-CD1 3.37Å; F178-L407 HydrophobicContact CE1-CD1 4.13Å; F178-L407 HydrophobicContact CG-CD1 4.05Å; F178-L407 VanDerWaalsContact O-CD2 3.23Å; F178-L407 WeakPolarHBondContact O-CD2 3.49Å; F394-L407 HydrophobicContact CD1-CB 4.49Å; F394-L407 HydrophobicContact CE1-CB 3.8Å; F394-L407 HydrophobicContact CE1-CD1 4.34Å; T395-L407 WeakPolarHBondContact CA-O 3.29Å; H396-L407 HydrophobicContact CB-CB 4.46Å; H396-L407 PolarHBondContact N-O 3.26Å; H396-L407 PolarHBondContact O-N 2.87Å; V405-L407 HydrophobicContact CG1-CD2 4.1Å; L407-F411 HydrophobicContact CB-CB 4.23Å; L407-F411 HydrophobicContact CB-CD1 3.92Å; L407-F411 HydrophobicContact CB-CD2 4.32Å; L407-F411 HydrophobicContact CB-CE1 4.35Å; L407-F411 HydrophobicContact CB-CG 3.9Å; L407-F411 HydrophobicContact CD1-CD1 4.39Å; L407-F411 HydrophobicContact CD1-CD2 4.04Å; L407-F411 HydrophobicContact CD1-CE1 4.11Å; L407-F411 HydrophobicContact CD1-CE2 3.76Å; L407-F411 HydrophobicContact CD1-CG 4.36Å; L407-F411 HydrophobicContact CD1-CZ 3.78Å; L407-F411 HydrophobicContact CD2-CB 4.47Å; L407-F411 HydrophobicContact CD2-CD2 3.84Å; L407-F411 HydrophobicContact CD2-CE2 4.31Å; L407-F411 HydrophobicContact CD2-CG 4.18Å; L407-F411 HydrophobicContact CG-CD2 4.29Å; L407-F411 HydrophobicContact CG-CG 4.38Å; L407-V446 HydrophobicContact CD2-CG1 4.26Å; L407-V446 HydrophobicContact CD2-CG2 4Å
408I97Very high92.9Very high0 Ų033.9 Ų33.90%021%0.207CC..EExtended strand (participates in β ladder)trans-131.3132.5-178.1-50.3177.3000109.5L393 F394 I406 F411 G444 A445 L447 V457 E458 I461L393-I408 HydrophobicContact CD1-CG2 4.02Å; L393-I408 HydrophobicContact CD2-CG2 3.93Å; L393-I408 HydrophobicContact CG-CG2 4.19Å; F394-I408 CarbonylContact O-C 3.6Å; F394-I408 WeakPolarHBondContact O-CA 3.43Å; I406-I408 HydrophobicContact CG2-CD1 3.95Å; I406-I408 HydrophobicContact CG2-CG1 3.7Å; I408-F411 WeakPolarHBondContact O-CB 3.35Å; I408-F411 PolarHBondContact O-N 2.92Å; I408-G444 CarbonylContact O-C 3.52Å; I408-G444 WeakPolarHBondContact O-CA 3.26Å; I408-A445 PolarHBondContact N-O 3.31Å; I408-A445 PolarHBondContact O-N 3.15Å; I408-L447 HydrophobicContact CD1-CD1 4.06Å; I408-V457 HydrophobicContact CB-CG1 4.19Å; I408-V457 HydrophobicContact CD1-CB 3.99Å; I408-V457 HydrophobicContact CD1-CG1 3.81Å; I408-V457 HydrophobicContact CG2-CG1 4.06Å; I408-E458 HydrophobicContact CD1-CG 4.19Å; I408-E458 HydrophobicContact CG2-CG 4.14Å; I408-I461 HydrophobicContact CG2-CD1 3.73Å
409G96.8Very high93.1Very high0 Ų038.3 Ų38.30%023%0.23CC..EExtended strand (participates in β ladder)trans58-136.7173.400000113.7H355 F394 F411H355-G409 WeakPolarHBondContact O-CA 3.47Å; F394-G409 PolarHBondContact O-N 3.48Å; G409-F411 WeakPolarHBondContact O-CD1 3.43Å; G409-F411 PolarHBondContact O-N 2.93Å
410C96.6Very high93.3Very high6 Ų636.4 Ų36.44%0.04122%0.223CC..SBendtrans-74.750.7173.5-57.30000111.6P354 N412 G413 Q414 L416 L436 Q443P354-C410 PolarHBondContact O-SG 2.95Å; P354-C410 VanDerWaalsContact O-SG 3.34Å; C410-N412 PolarHBondContact O-N 2.71Å; C410-G413 PolarHBondContact O-N 3.49Å; C410-Q414 PolarHBondContact O-OE1 3Å; C410-Q414 PolarHBondContact SG-O 2.92Å; C410-L416 HydrophobicContact CB-CD1 4.1Å; C410-L416 HydrophobicContact CB-CD2 4.05Å; C410-L416 HydrophobicContact CB-CG 3.98Å; C410-L436 VanDerWaalsContact O-CD1 3.31Å; C410-L436 WeakPolarHBondContact O-CD1 3.39Å; C410-Q443 HydrophobicContact CB-CB 4.37Å; C410-Q443 WeakPolarHBondContact CB-O 3.32Å; C410-Q443 PolarHBondContact N-O 3.32Å
411F94.9Very high93.5Very high0 Ų040.5 Ų40.50%024%0.242CC..THydrogen-bonded Turntrans-53.7-25.7-17064.7-92.8000115.5F178 L357 M359 F394 L407 I408 G409 K434 A445 V446F178-F411 VanDerWaalsContact O-CD2 3.3Å; F178-F411 WeakPolarHBondContact O-CD2 3.43Å; F178-F411 VanDerWaalsContact O-CE2 3.24Å; F178-F411 WeakPolarHBondContact O-CE2 3.39Å; L357-F411 HydrophobicContact CD2-CE1 4.35Å; M359-F411 HydrophobicContact CE-CZ 4.48Å; M359-F411 HydrophobicContact SD-CE1 3.98Å; M359-F411 HydrophobicContact SD-CZ 3.84Å; F394-F411 AromaticContact CD1-CD1 3.74Å; F394-F411 HydrophobicContact CD1-CD1 3.74Å; F394-F411 AromaticContact CD1-CE1 3.75Å; F394-F411 HydrophobicContact CD1-CE1 3.75Å; F394-F411 AromaticContact CE1-CD1 3.68Å; F394-F411 HydrophobicContact CE1-CD1 3.68Å; F394-F411 AromaticContact CE1-CE1 3.37Å; F394-F411 HydrophobicContact CE1-CE1 3.37Å; F394-F411 HydrophobicContact CE1-CZ 4.34Å; F394-F411 HydrophobicContact CZ-CE1 4.07Å; L407-F411 HydrophobicContact CB-CB 4.23Å; L407-F411 HydrophobicContact CB-CD1 3.92Å; L407-F411 HydrophobicContact CB-CD2 4.32Å; L407-F411 HydrophobicContact CB-CE1 4.35Å; L407-F411 HydrophobicContact CB-CG 3.9Å; L407-F411 HydrophobicContact CD1-CD1 4.39Å; L407-F411 HydrophobicContact CD1-CD2 4.04Å; L407-F411 HydrophobicContact CD1-CE1 4.11Å; L407-F411 HydrophobicContact CD1-CE2 3.76Å; L407-F411 HydrophobicContact CD1-CG 4.36Å; L407-F411 HydrophobicContact CD1-CZ 3.78Å; L407-F411 HydrophobicContact CD2-CB 4.47Å; L407-F411 HydrophobicContact CD2-CD2 3.84Å; L407-F411 HydrophobicContact CD2-CE2 4.31Å; L407-F411 HydrophobicContact CD2-CG 4.18Å; L407-F411 HydrophobicContact CG-CD2 4.29Å; L407-F411 HydrophobicContact CG-CG 4.38Å; I408-F411 WeakPolarHBondContact O-CB 3.35Å; I408-F411 PolarHBondContact O-N 2.92Å; G409-F411 WeakPolarHBondContact O-CD1 3.43Å; G409-F411 PolarHBondContact O-N 2.93Å; F411-K434 WeakPolarHBondContact O-CE 3.41Å; F411-K434 PolarHBondContact O-NZ 3.47Å; F411-A445 WeakPolarHBondContact CB-O 3.22Å; F411-V446 HydrophobicContact CB-CG2 4.04Å; F411-V446 HydrophobicContact CD2-CG2 4.23Å; F411-V446 WeakPolarHBondContact O-CG2 3.4Å
412N91.7Very high93.8Very high57 Ų5742.9 Ų42.931%0.30526%0.262SS..THydrogen-bonded Turntrans-115.522.4178.7-150.222.9000112.7A176 C410 Q414A176-N412 PolarHBondContact O-ND2 3.18Å; C410-N412 PolarHBondContact O-N 2.71Å; N412-Q414 VanDerWaalsContact C-N 3.26Å; N412-Q414 HydrophobicContact CB-CG 4.46Å; N412-Q414 VanDerWaalsContact CB-NE2 3.35Å; N412-Q414 PolarHBondContact O-N 2.73Å
413G92.1Very high94.1Very high14 Ų1441.8 Ų41.814%0.14425%0.245CC..  trans72.319.6-179.200000113.5C410 G415 L416C410-G413 PolarHBondContact O-N 3.49Å; G413-G415 PolarHBondContact O-N 2.83Å; G413-L416 PolarHBondContact O-N 3.12Å; G413-L416 VanDerWaalsContact O-N 3.07Å
414Q91.7Very high94.2Very high55 Ų5543.7 Ų43.726%0.25726%0.258SS..THydrogen-bonded Turntrans-61123.5-179.9-54.892.4-29.800109.8L357 C410 N412 L416L357-Q414 HydrophobicContact CD1-CG 4.18Å; C410-Q414 PolarHBondContact O-OE1 3Å; C410-Q414 PolarHBondContact SG-O 2.92Å; N412-Q414 VanDerWaalsContact C-N 3.26Å; N412-Q414 HydrophobicContact CB-CG 4.46Å; N412-Q414 VanDerWaalsContact CB-NE2 3.35Å; N412-Q414 PolarHBondContact O-N 2.73Å; Q414-L416 PolarHBondContact O-N 2.84Å
415G91.7Very high94.1Very high88 Ų8844.1 Ų44.191%0.90726%0.259SS*.THydrogen-bonded Turntrans76.6-4.6-178.800000115.1G413G413-G415 PolarHBondContact O-N 2.83Å
416L95Very high93.9Very high28 Ų2848.9 Ų48.915%0.14728%0.284CS..  trans-81.9148.1179.7-56.4-170.5000111.5C410 G413 Q414 H420 L436 Q443C410-L416 HydrophobicContact CB-CD1 4.1Å; C410-L416 HydrophobicContact CB-CD2 4.05Å; C410-L416 HydrophobicContact CB-CG 3.98Å; G413-L416 PolarHBondContact O-N 3.12Å; G413-L416 VanDerWaalsContact O-N 3.07Å; Q414-L416 PolarHBondContact O-N 2.84Å; L416-H420 HydrophobicContact CB-CB 4.35Å; L416-H420 HydrophobicContact CD1-CB 4.18Å; L416-L436 HydrophobicContact CD1-CB 4.16Å; L416-L436 HydrophobicContact CD1-CD1 4.24Å; L416-Q443 HydrophobicContact CD1-CB 3.69Å; L416-Q443 HydrophobicContact CD1-CG 4.08Å; L416-Q443 HydrophobicContact CD2-CB 3.81Å; L416-Q443 HydrophobicContact CD2-CG 3.85Å; L416-Q443 HydrophobicContact CG-CB 4.39Å
417R95.8Very high93.6Very high103 Ų10350 Ų5039%0.38929%0.293SS..  trans-69.1156.4171.7-50.9-177.6-50.5-98.98.1111.4D419 H420 Q438 D439R417-D419 WeakPolarHBondContact CB-OD1 3.43Å; R417-D419 IonicContact CZ-OD1 3.58Å; R417-D419 IonicContact CZ-OD2 3.45Å; R417-D419 IonicContact NE-OD1 3.78Å; R417-D419 PolarHBondContact NE-OD1 3.08Å; R417-D419 IonicContact NE-OD2 2.68Å; R417-D419 IonicContact NH2-OD1 2.84Å; R417-D419 IonicContact NH2-OD2 2.76Å; R417-D419 PolarHBondContact NH2-OD2 2.88Å; R417-D419 PolarHBondContact O-N 2.87Å; R417-D419 VanDerWaalsContact O-N 3.1Å; R417-H420 PolarHBondContact O-N 2.83Å; R417-H420 PolarHBondContact O-ND1 3.09Å; R417-Q438 PolarHBondContact O-NE2 2.88Å; R417-D439 IonicContact CZ-OD1 3.82Å; R417-D439 IonicContact CZ-OD2 3.7Å; R417-D439 VanDerWaalsContact CZ-OD2 3.27Å; R417-D439 IonicContact NH1-OD2 2.96Å; R417-D439 PolarHBondContact NH1-OD2 3.18Å; R417-D439 IonicContact NH2-OD1 3.23Å; R417-D439 PolarHBondContact NH2-OD1 3.38Å; R417-D439 IonicContact NH2-OD2 3.97Å; R417-D439 PolarHBondContact NH2-OD2 3.09Å
418P93.1Very high93Very high129 Ų12956 Ų5684%0.83833%0.334SS*.THydrogen-bonded Turntrans-63.2-15.7-177.3-24.435.2000116.1H420P418-H420 VanDerWaalsContact C-N 3.3Å
419D95.2Very high92.4Very high97 Ų9757.6 Ų57.652%0.51935%0.349SS..THydrogen-bonded Turntrans-855178.161.7-49000113.8R417R417-D419 WeakPolarHBondContact CB-OD1 3.43Å; R417-D419 IonicContact CZ-OD1 3.58Å; R417-D419 IonicContact CZ-OD2 3.45Å; R417-D419 IonicContact NE-OD1 3.78Å; R417-D419 PolarHBondContact NE-OD1 3.08Å; R417-D419 IonicContact NE-OD2 2.68Å; R417-D419 IonicContact NH2-OD1 2.84Å; R417-D419 IonicContact NH2-OD2 2.76Å; R417-D419 PolarHBondContact NH2-OD2 2.88Å; R417-D419 PolarHBondContact O-N 2.87Å; R417-D419 VanDerWaalsContact O-N 3.1Å
420H95Very high92Very high63 Ų6364.4 Ų64.429%0.29238%0.381SS..  trans-61.1146171.571.1-85.7000111.4L416 R417 P418 V437 Q438L416-H420 HydrophobicContact CB-CB 4.35Å; L416-H420 HydrophobicContact CD1-CB 4.18Å; R417-H420 PolarHBondContact O-N 2.83Å; R417-H420 PolarHBondContact O-ND1 3.09Å; P418-H420 VanDerWaalsContact C-N 3.3Å; H420-V437 CarbonylContact C-O 3.52Å; H420-V437 VanDerWaalsContact CA-O 3.31Å; H420-V437 WeakPolarHBondContact CA-O 3.41Å; H420-V437 WeakPolarHBondContact CB-O 3.33Å; H420-Q438 HydrophobicContact CB-CB 4.29Å
421E94.1Very high91.8Very high88 Ų8865.3 Ų65.341%0.41139%0.385SS..EExtended strand (participates in β ladder)trans-96.7147176.8-59.2-178-100.900110L436 V437 K471E421-L436 WeakPolarHBondContact O-CA 3.46Å; E421-V437 HydrophobicContact CB-CB 4.45Å; E421-V437 PolarHBondContact N-O 3.15Å; E421-V437 PolarHBondContact O-N 3.44Å; E421-K471 IonicContact OE1-NZ 2.74Å; E421-K471 PolarHBondContact OE1-NZ 2.95Å; E421-K471 IonicContact OE2-NZ 3.26Å; E421-K471 PolarHBondContact OE2-NZ 3.14Å
422A93.5Very high91.7Very high55 Ų5565.4 Ų65.446%0.45539%0.385SS..EExtended strand (participates in β ladder)trans-116.1111.8171.800000109.1V424 K434 L436A422-V424 HydrophobicContact CB-CG2 4.32Å; A422-K434 HydrophobicContact CB-CG 4.45Å; A422-L436 HydrophobicContact CB-CD2 3.68Å
423L93.6Very high91.8Very high27 Ų2762.7 Ų62.714%0.14137%0.371CS..EExtended strand (participates in β ladder)trans-84.1123.1169.6-52.2177.8000107.4K434 I435 V437 K471 L474 L475L423-K434 CarbonylContact O-C 3.58Å; L423-K434 VanDerWaalsContact O-CA 3.29Å; L423-K434 WeakPolarHBondContact O-CA 3.23Å; L423-I435 HydrophobicContact CB-CB 4.43Å; L423-I435 PolarHBondContact N-O 2.8Å; L423-I435 PolarHBondContact O-N 3.01Å; L423-V437 HydrophobicContact CD1-CG2 3.93Å; L423-V437 HydrophobicContact CG-CG2 4.15Å; L423-K471 HydrophobicContact CD1-CG 3.83Å; L423-K471 HydrophobicContact CD2-CD 4.36Å; L423-K471 HydrophobicContact CD2-CG 3.98Å; L423-K471 HydrophobicContact CG-CG 4.47Å; L423-L474 HydrophobicContact CD1-CB 4.39Å; L423-L474 HydrophobicContact CD1-CD2 3.93Å; L423-L475 VanDerWaalsContact C-CD1 3.46Å; L423-L475 HydrophobicContact CB-CD1 3.67Å; L423-L475 HydrophobicContact CB-CG 4.25Å
424V92.4Very high92Very high68 Ų6862.1 Ų62.141%0.41236%0.364SS..EExtended strand (participates in β ladder)trans-128.8127.9-174.5-176.40000110.7A422 I426 Y432 I433 K434A422-V424 HydrophobicContact CB-CG2 4.32Å; V424-I426 HydrophobicContact CG1-CD1 4.03Å; V424-I426 HydrophobicContact CG1-CG1 3.76Å; V424-Y432 HydrophobicContact CG1-CE2 3.95Å; V424-I433 CarbonylContact C-O 3.57Å; V424-I433 VanDerWaalsContact CA-O 3.29Å; V424-I433 WeakPolarHBondContact CA-O 3.3Å; V424-K434 HydrophobicContact CG2-CB 4.39Å; V424-K434 HydrophobicContact CG2-CG 4.11Å
425R90.9Very high92.2Very high48 Ų4859.6 Ų59.618%0.18135%0.352CS..EExtended strand (participates in β ladder)trans-122.1132.5168.3-179.5174.789.2-161.43.6109E431 I433 L475R425-E431 IonicContact CZ-OE1 2.81Å; R425-E431 IonicContact NE-OE1 3.88Å; R425-E431 PolarHBondContact NE-OE1 2.84Å; R425-E431 IonicContact NH2-OE1 3.68Å; R425-E431 PolarHBondContact NH2-OE1 2.82Å; R425-E431 IonicContact NH2-OE2 2.78Å; R425-E431 PolarHBondContact NH2-OE2 3.29Å; R425-I433 HydrophobicContact CB-CB 4.37Å; R425-I433 VanDerWaalsContact CZ-CD1 3.44Å; R425-I433 PolarHBondContact N-O 3.27Å; R425-I433 PolarHBondContact O-N 3.09Å; R425-L475 HydrophobicContact CB-CB 4.17Å; R425-L475 HydrophobicContact CB-CD1 4.03Å; R425-L475 WeakPolarHBondContact CD-O 3.33Å; R425-L475 PolarHBondContact NH1-O 3Å
426I89.8Confident92.4Very high100 Ų10055.6 Ų55.651%0.51331%0.31SS..EExtended strand (participates in β ladder)trans-130.1118.1179.3-46.8-178.6000108.4F186 V424 Y432F186-I426 HydrophobicContact CD2-CG2 4.14Å; V424-I426 HydrophobicContact CG1-CD1 4.03Å; V424-I426 HydrophobicContact CG1-CG1 3.76Å; I426-Y432 HydrophobicContact CD1-CD2 3.8Å; I426-Y432 HydrophobicContact CD1-CE2 3.75Å; I426-Y432 HydrophobicContact CG1-CD2 3.67Å; I426-Y432 HydrophobicContact CG1-CE2 3.97Å; I426-Y432 HydrophobicContact CG2-CD2 4.38Å
427A88.7Confident92.5Very high25 Ų2554.2 Ų54.221%0.20730%0.303CS..EExtended strand (participates in β ladder)trans-106.2112.3165.400000107.8G429 E430 E431A427-G429 PolarHBondContact O-N 2.88Å; A427-E430 HydrophobicContact CB-CB 4Å; A427-E430 PolarHBondContact O-N 2.9Å; A427-E431 HydrophobicContact CB-CG 3.69Å; A427-E431 PolarHBondContact N-O 2.92Å; A427-E431 PolarHBondContact O-N 3.39Å; A427-E431 VanDerWaalsContact O-N 3.08Å; A427-E431 VanDerWaalsContact O-O 3.07Å
428C84Confident92.5Very high126 Ų12650.2 Ų50.285%0.85129%0.289SS*.THydrogen-bonded Turntrans-59.4115.7-170.6-171.90000111.5E430C428-E430 VanDerWaalsContact C-N 3.29Å
429G84.4Confident92.7Very high32 Ų3248.9 Ų48.933%0.3328%0.275SS..THydrogen-bonded Turntrans78.47.6179.800000116.2Y190 A427Y190-G429 WeakPolarHBondContact OH-CA 3.43Å; A427-G429 PolarHBondContact O-N 2.88Å
430E88.8Confident92.7Very high143 Ų14344.6 Ų44.667%0.66825%0.253SS*.THydrogen-bonded Turntrans-117.9-60.1176.3-65.3178.1175.300109.8A427 C428A427-E430 HydrophobicContact CB-CB 4Å; A427-E430 PolarHBondContact O-N 2.9Å; C428-E430 VanDerWaalsContact C-N 3.29Å
431E91.8Very high92.8Very high25 Ų2544.4 Ų44.412%0.11725%0.251CS..EExtended strand (participates in β ladder)trans-151.3154.2-173.552.8165.2-144.600113.6R425 A427 I448 T451R425-E431 IonicContact CZ-OE1 2.81Å; R425-E431 IonicContact NE-OE1 3.88Å; R425-E431 PolarHBondContact NE-OE1 2.84Å; R425-E431 IonicContact NH2-OE1 3.68Å; R425-E431 PolarHBondContact NH2-OE1 2.82Å; R425-E431 IonicContact NH2-OE2 2.78Å; R425-E431 PolarHBondContact NH2-OE2 3.29Å; A427-E431 HydrophobicContact CB-CG 3.69Å; A427-E431 PolarHBondContact N-O 2.92Å; A427-E431 PolarHBondContact O-N 3.39Å; A427-E431 VanDerWaalsContact O-N 3.08Å; A427-E431 VanDerWaalsContact O-O 3.07Å; E431-I448 CarbonylContact C-O 3.47Å; E431-I448 WeakPolarHBondContact CA-O 3.2Å; E431-I448 VanDerWaalsContact CB-O 3.23Å; E431-I448 WeakPolarHBondContact CB-O 3.49Å; E431-T451 HydrophobicContact CB-CG2 4.21Å
432Y93.4Very high93Very high3 Ų340.3 Ų40.31%0.01223%0.232CC..EExtended strand (participates in β ladder)trans-130.7123.4165.7173.7-76.8000108.2D180 A183 F186 V424 I426 K434 I448D180-Y432 PolarHBondContact OD1-OH 3.42Å; A183-Y432 HydrophobicContact CB-CD1 3.82Å; A183-Y432 HydrophobicContact CB-CE1 3.49Å; A183-Y432 VanDerWaalsContact CB-CE1 3.49Å; A183-Y432 HydrophobicContact CB-CE2 4.36Å; A183-Y432 HydrophobicContact CB-CG 4.39Å; A183-Y432 VanDerWaalsContact N-CZ 3.34Å; A183-Y432 PolarHBondContact N-OH 2.86Å; F186-Y432 HydrophobicContact CB-CD2 4.2Å; V424-Y432 HydrophobicContact CG1-CE2 3.95Å; I426-Y432 HydrophobicContact CD1-CD2 3.8Å; I426-Y432 HydrophobicContact CD1-CE2 3.75Å; I426-Y432 HydrophobicContact CG1-CD2 3.67Å; I426-Y432 HydrophobicContact CG1-CE2 3.97Å; I426-Y432 HydrophobicContact CG2-CD2 4.38Å; Y432-K434 HydrophobicContact CE1-CB 3.63Å; Y432-I448 HydrophobicContact CD1-CD1 3.87Å; Y432-I448 HydrophobicContact CD1-CG1 4.46Å; Y432-I448 HydrophobicContact CG-CD1 4.2Å; Y432-I448 PolarHBondContact N-O 3.22Å; Y432-I448 PolarHBondContact O-N 3.48Å
433I94.2Very high93.2Very high0 Ų038.9 Ų38.90%022%0.216CC..EExtended strand (participates in β ladder)trans-120.7127.5179.1-64.6157.7000107.9V424 R425 I435 L447 T451 L453 L475V424-I433 CarbonylContact C-O 3.57Å; V424-I433 VanDerWaalsContact CA-O 3.29Å; V424-I433 WeakPolarHBondContact CA-O 3.3Å; R425-I433 HydrophobicContact CB-CB 4.37Å; R425-I433 VanDerWaalsContact CZ-CD1 3.44Å; R425-I433 PolarHBondContact N-O 3.27Å; R425-I433 PolarHBondContact O-N 3.09Å; I433-I435 HydrophobicContact CG2-CG1 4.2Å; I433-L447 HydrophobicContact CB-CD2 4.47Å; I433-L447 HydrophobicContact CG1-CD2 4.37Å; I433-L447 HydrophobicContact CG2-CD2 3.79Å; I433-T451 HydrophobicContact CD1-CG2 3.92Å; I433-T451 HydrophobicContact CG1-CG2 3.49Å; I433-T451 VanDerWaalsContact CG1-CG2 3.49Å; I433-L453 HydrophobicContact CD1-CD1 3.8Å; I433-L453 HydrophobicContact CG1-CD1 4.36Å; I433-L453 HydrophobicContact CG2-CD1 3.87Å; I433-L475 HydrophobicContact CG2-CD1 4.22Å; I433-L475 HydrophobicContact CG2-CD2 3.5Å; I433-L475 VanDerWaalsContact CG2-CD2 3.5Å
434K94.7Very high93.3Very high2 Ų237.6 Ų37.61%0.00921%0.209CC..EExtended strand (participates in β ladder)trans-130.1124.4168.8179-174.477.4-178.70109.7D180 F411 A422 L423 V424 Y432 L436 A445 V446D180-K434 IonicContact OD1-NZ 2.79Å; D180-K434 WeakPolarHBondContact OD2-CD 3.45Å; D180-K434 WeakPolarHBondContact OD2-CE 3.29Å; D180-K434 IonicContact OD2-NZ 3.78Å; D180-K434 PolarHBondContact OD2-NZ 3.26Å; F411-K434 WeakPolarHBondContact O-CE 3.41Å; F411-K434 PolarHBondContact O-NZ 3.47Å; A422-K434 HydrophobicContact CB-CG 4.45Å; L423-K434 CarbonylContact O-C 3.58Å; L423-K434 VanDerWaalsContact O-CA 3.29Å; L423-K434 WeakPolarHBondContact O-CA 3.23Å; V424-K434 HydrophobicContact CG2-CB 4.39Å; V424-K434 HydrophobicContact CG2-CG 4.11Å; Y432-K434 HydrophobicContact CE1-CB 3.63Å; K434-L436 HydrophobicContact CD-CD2 3.95Å; K434-L436 HydrophobicContact CG-CD2 3.99Å; K434-A445 CarbonylContact O-C 3.56Å; K434-A445 WeakPolarHBondContact O-CA 3.45Å; K434-A445 VanDerWaalsContact O-CB 3.31Å; K434-A445 WeakPolarHBondContact O-CB 3.43Å; K434-V446 HydrophobicContact CB-CB 4.44Å; K434-V446 PolarHBondContact N-O 2.83Å; K434-V446 PolarHBondContact O-N 2.94Å
435I95.7Very high93.5Very high1 Ų134.4 Ų34.41%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-115.8126.2172.9-59.7-178.2000108L423 I433 V437 V442 A445 V457 L474 L475L423-I435 HydrophobicContact CB-CB 4.43Å; L423-I435 PolarHBondContact N-O 2.8Å; L423-I435 PolarHBondContact O-N 3.01Å; I433-I435 HydrophobicContact CG2-CG1 4.2Å; I435-V437 HydrophobicContact CG2-CG2 4.17Å; I435-V442 HydrophobicContact CG2-CB 4.34Å; I435-V442 HydrophobicContact CG2-CG1 3.58Å; I435-V442 HydrophobicContact CG2-CG2 3.88Å; I435-A445 HydrophobicContact CG1-CB 4.23Å; I435-V457 HydrophobicContact CD1-CG2 3.84Å; I435-V457 HydrophobicContact CG1-CG2 4.26Å; I435-L474 HydrophobicContact CD1-CD2 3.68Å; I435-L474 HydrophobicContact CD1-CG 4.12Å; I435-L474 HydrophobicContact CG2-CD2 4.22Å; I435-L475 HydrophobicContact CD1-CD2 3.57Å; I435-L475 HydrophobicContact CG1-CD2 4.16Å
436L96.4Very high93.8Very high4 Ų432.1 Ų32.12%0.02118%0.181CC..EExtended strand (participates in β ladder)trans-94.8131.2176.1-58.7-171.8000110C410 L416 E421 A422 K434 Q443 G444C410-L436 VanDerWaalsContact O-CD1 3.31Å; C410-L436 WeakPolarHBondContact O-CD1 3.39Å; L416-L436 HydrophobicContact CD1-CB 4.16Å; L416-L436 HydrophobicContact CD1-CD1 4.24Å; E421-L436 WeakPolarHBondContact O-CA 3.46Å; A422-L436 HydrophobicContact CB-CD2 3.68Å; K434-L436 HydrophobicContact CD-CD2 3.95Å; K434-L436 HydrophobicContact CG-CD2 3.99Å; L436-Q443 PolarHBondContact O-N 2.94Å; L436-G444 PolarHBondContact N-O 2.58Å
437V97.2Very high94.1Very high0 Ų027.4 Ų27.40%016%0.156CC..EExtended strand (participates in β ladder)trans-127.3133.8-173.8-175.50000109.2H420 E421 L423 I435 Y441 I467H420-V437 CarbonylContact C-O 3.52Å; H420-V437 VanDerWaalsContact CA-O 3.31Å; H420-V437 WeakPolarHBondContact CA-O 3.41Å; H420-V437 WeakPolarHBondContact CB-O 3.33Å; E421-V437 HydrophobicContact CB-CB 4.45Å; E421-V437 PolarHBondContact N-O 3.15Å; E421-V437 PolarHBondContact O-N 3.44Å; L423-V437 HydrophobicContact CD1-CG2 3.93Å; L423-V437 HydrophobicContact CG-CG2 4.15Å; I435-V437 HydrophobicContact CG2-CG2 4.17Å; V437-Y441 CarbonylContact C-O 3.53Å; V437-Y441 VanDerWaalsContact CA-O 3.31Å; V437-Y441 WeakPolarHBondContact CA-O 3.26Å; V437-I467 HydrophobicContact CG1-CD1 4.05Å; V437-I467 HydrophobicContact CG1-CG1 4.35Å; V437-I467 HydrophobicContact CG2-CD1 3.78Å
438Q96.9Very high94.4Very high18 Ų1826.2 Ų26.28%0.08415%0.147CC..EExtended strand (participates in β ladder)trans-135130.2172.6-178.7148.494.300109R417 H420 G440 Y441 Q443R417-Q438 PolarHBondContact O-NE2 2.88Å; H420-Q438 HydrophobicContact CB-CB 4.29Å; Q438-G440 PolarHBondContact O-N 2.73Å; Q438-Y441 PolarHBondContact N-O 3.14Å; Q438-Y441 PolarHBondContact O-N 2.89Å; Q438-Q443 HydrophobicContact CB-CG 3.77Å
439D95.9Very high94.8Very high101 Ų10120.5 Ų20.554%0.5411%0.11SC..THydrogen-bonded Turntrans55.332-179.9-55.5-42.9000114.2R417 Y441R417-D439 IonicContact CZ-OD1 3.82Å; R417-D439 IonicContact CZ-OD2 3.7Å; R417-D439 VanDerWaalsContact CZ-OD2 3.27Å; R417-D439 IonicContact NH1-OD2 2.96Å; R417-D439 PolarHBondContact NH1-OD2 3.18Å; R417-D439 IonicContact NH2-OD1 3.23Å; R417-D439 PolarHBondContact NH2-OD1 3.38Å; R417-D439 IonicContact NH2-OD2 3.97Å; R417-D439 PolarHBondContact NH2-OD2 3.09Å; D439-Y441 HydrophobicContact CB-CD2 4.4Å; D439-Y441 WeakPolarHBondContact O-CD2 3.47Å; D439-Y441 VanDerWaalsContact O-CE2 3.22Å; D439-Y441 WeakPolarHBondContact O-CE2 3.41Å
440G95.5Very high95.1Very high7 Ų725.8 Ų25.87%0.07213%0.126CC..THydrogen-bonded Turntrans85.41.8-178.400000114.8Q438 I467Q438-G440 PolarHBondContact O-N 2.73Å; G440-I467 WeakPolarHBondContact O-CG1 3.38Å; G440-I467 PolarHBondContact O-N 3.09Å
441Y97.1Very high95.2Very high60 Ų6019.7 Ų19.724%0.23510%0.098CC..EExtended strand (participates in β ladder)trans-114.9138-178.4-58.7-84.6000111.6V437 Q438 D439 Q443 H464 T465 D466V437-Y441 CarbonylContact C-O 3.53Å; V437-Y441 VanDerWaalsContact CA-O 3.31Å; V437-Y441 WeakPolarHBondContact CA-O 3.26Å; Q438-Y441 PolarHBondContact N-O 3.14Å; Q438-Y441 PolarHBondContact O-N 2.89Å; D439-Y441 HydrophobicContact CB-CD2 4.4Å; D439-Y441 WeakPolarHBondContact O-CD2 3.47Å; D439-Y441 VanDerWaalsContact O-CE2 3.22Å; D439-Y441 WeakPolarHBondContact O-CE2 3.41Å; Y441-Q443 PolarHBondContact O-N 3.37Å; Y441-Q443 PolarHBondContact O-NE2 3.07Å; Y441-H464 AromaticContact CD1-CD2 3.92Å; Y441-H464 AromaticContact CD1-CE1 3.61Å; Y441-H464 AromaticContact CD1-CG 3.89Å; Y441-H464 AromaticContact CD1-ND1 3.7Å; Y441-H464 AromaticContact CD1-NE2 3.78Å; Y441-H464 WeakPolarHBondContact CD1-O 3.02Å; Y441-H464 AromaticContact CD2-CE1 3.85Å; Y441-H464 AromaticContact CE1-CD2 3.57Å; Y441-H464 AromaticContact CE1-CE1 3.85Å; Y441-H464 AromaticContact CE1-CG 3.99Å; Y441-H464 AromaticContact CE1-NE2 3.52Å; Y441-H464 WeakPolarHBondContact CE1-O 3.44Å; Y441-H464 AromaticContact CE2-NE2 3.87Å; Y441-H464 AromaticContact CG-CE1 3.61Å; Y441-H464 AromaticContact CG-ND1 3.97Å; Y441-H464 AromaticContact CZ-NE2 3.57Å; Y441-T465 WeakPolarHBondContact CD1-O 3.4Å; Y441-D466 HydrophobicContact CD1-CB 4.46Å; Y441-D466 HydrophobicContact CE1-CB 3.77Å
442V97.6Very high94.9Very high2 Ų221.3 Ų21.31%0.01212%0.121CC..EExtended strand (participates in β ladder)trans-64.8133.9171.2-178.40000109.5I435 V457 L460 I461 I467 L474I435-V442 HydrophobicContact CG2-CB 4.34Å; I435-V442 HydrophobicContact CG2-CG1 3.58Å; I435-V442 HydrophobicContact CG2-CG2 3.88Å; V442-V457 HydrophobicContact CG1-CG1 4.21Å; V442-L460 HydrophobicContact CB-CB 4.11Å; V442-L460 HydrophobicContact CG2-CB 3.97Å; V442-L460 HydrophobicContact CG2-CD1 3.89Å; V442-I461 HydrophobicContact CB-CG1 4.05Å; V442-I461 HydrophobicContact CG1-CD1 4.05Å; V442-I461 HydrophobicContact CG1-CG1 3.67Å; V442-I461 WeakPolarHBondContact O-CG1 3.47Å; V442-I467 HydrophobicContact CG2-CD1 3.71Å; V442-I467 HydrophobicContact CG2-CG1 4.35Å; V442-I467 HydrophobicContact CG2-CG2 4.35Å; V442-L474 HydrophobicContact CG2-CD2 4.43Å
443Q97.7Very high94.8Very high25 Ų2522 Ų2212%0.11713%0.125CC..EExtended strand (participates in β ladder)trans-116.7-23.2-179.3-57.1-58.2-38.900112.8H355 C410 L416 L436 Q438 Y441H355-Q443 PolarHBondContact CD2-O 3.11Å; H355-Q443 VanDerWaalsContact CD2-O 3.25Å; H355-Q443 PolarHBondContact NE2-OE1 2.71Å; C410-Q443 HydrophobicContact CB-CB 4.37Å; C410-Q443 WeakPolarHBondContact CB-O 3.32Å; C410-Q443 PolarHBondContact N-O 3.32Å; L416-Q443 HydrophobicContact CD1-CB 3.69Å; L416-Q443 HydrophobicContact CD1-CG 4.08Å; L416-Q443 HydrophobicContact CD2-CB 3.81Å; L416-Q443 HydrophobicContact CD2-CG 3.85Å; L416-Q443 HydrophobicContact CG-CB 4.39Å; L436-Q443 PolarHBondContact O-N 2.94Å; Q438-Q443 HydrophobicContact CB-CG 3.77Å; Y441-Q443 PolarHBondContact O-N 3.37Å; Y441-Q443 PolarHBondContact O-NE2 3.07Å
444G97.1Very high94.6Very high0 Ų022.6 Ų22.60%013%0.128CC..EExtended strand (participates in β ladder)trans177.5168.4178.900000112.3I408 L436I408-G444 CarbonylContact O-C 3.52Å; I408-G444 WeakPolarHBondContact O-CA 3.26Å; L436-G444 PolarHBondContact N-O 2.58Å
445A96.7Very high94.4Very high0 Ų027.8 Ų27.80%015%0.152CC..EExtended strand (participates in β ladder)trans-149.1153.9178.800000113.5I408 F411 K434 I435 L447 V457I408-A445 PolarHBondContact N-O 3.31Å; I408-A445 PolarHBondContact O-N 3.15Å; F411-A445 WeakPolarHBondContact CB-O 3.22Å; K434-A445 CarbonylContact O-C 3.56Å; K434-A445 WeakPolarHBondContact O-CA 3.45Å; K434-A445 VanDerWaalsContact O-CB 3.31Å; K434-A445 WeakPolarHBondContact O-CB 3.43Å; I435-A445 HydrophobicContact CG1-CB 4.23Å; A445-L447 HydrophobicContact CB-CD2 4.05Å; A445-L447 HydrophobicContact CB-CG 4.26Å; A445-V457 HydrophobicContact CB-CG1 3.67Å; A445-V457 HydrophobicContact CB-CG2 4.24Å
446V96.4Very high94.2Very high0 Ų029.6 Ų29.60%016%0.163CC..EExtended strand (participates in β ladder)trans-116.7115.8163.2177.20000106.7V179 A183 I406 L407 F411 K434 I448V179-V446 HydrophobicContact CG1-CG1 3.97Å; A183-V446 HydrophobicContact CB-CG1 4.42Å; I406-V446 WeakPolarHBondContact O-CA 3.35Å; L407-V446 HydrophobicContact CD2-CG1 4.26Å; L407-V446 HydrophobicContact CD2-CG2 4Å; F411-V446 HydrophobicContact CB-CG2 4.04Å; F411-V446 HydrophobicContact CD2-CG2 4.23Å; F411-V446 WeakPolarHBondContact O-CG2 3.4Å; K434-V446 HydrophobicContact CB-CB 4.44Å; K434-V446 PolarHBondContact N-O 2.83Å; K434-V446 PolarHBondContact O-N 2.94Å; V446-I448 HydrophobicContact CG1-CD1 4.02Å; V446-I448 HydrophobicContact CG1-CG1 3.97Å
447L95.3Very high94Very high1 Ų129.5 Ų29.51%0.00516%0.163CC..EExtended strand (participates in β ladder)trans-115.6117.8178.7-47.8175.9000108.1V405 I406 I408 I433 A445 T451 L453 E454V405-L447 CarbonylContact C-O 3.38Å; V405-L447 WeakPolarHBondContact CA-O 3.41Å; I406-L447 HydrophobicContact CB-CB 4.19Å; I406-L447 PolarHBondContact N-O 3Å; I406-L447 PolarHBondContact O-N 2.79Å; I408-L447 HydrophobicContact CD1-CD1 4.06Å; I433-L447 HydrophobicContact CB-CD2 4.47Å; I433-L447 HydrophobicContact CG1-CD2 4.37Å; I433-L447 HydrophobicContact CG2-CD2 3.79Å; A445-L447 HydrophobicContact CB-CD2 4.05Å; A445-L447 HydrophobicContact CB-CG 4.26Å; L447-T451 HydrophobicContact CB-CG2 3.99Å; L447-L453 HydrophobicContact CD1-CB 4.29Å; L447-L453 HydrophobicContact CD2-CB 4.4Å; L447-E454 HydrophobicContact CD1-CG 4.13Å
448I95Very high93.8Very high0 Ų029.5 Ų29.50%016%0.163CC..EExtended strand (participates in β ladder)trans-119.1130.3-179.7-57.8168.4000107.9V179 A183 F186 F187 F403 K404 V405 E431 Y432 V446V179-I448 HydrophobicContact CG1-CD1 4.49Å; A183-I448 HydrophobicContact CB-CD1 3.68Å; F186-I448 HydrophobicContact CD1-CG2 4.06Å; F186-I448 HydrophobicContact CE1-CG2 3.61Å; F186-I448 HydrophobicContact CZ-CG2 4.35Å; F187-I448 HydrophobicContact CE1-CD1 4.39Å; F187-I448 HydrophobicContact CE1-CG2 3.91Å; F187-I448 HydrophobicContact CE2-CD1 3.77Å; F187-I448 HydrophobicContact CZ-CD1 3.52Å; F187-I448 HydrophobicContact CZ-CG1 4.1Å; F187-I448 HydrophobicContact CZ-CG2 3.9Å; F403-I448 HydrophobicContact CB-CG2 3.61Å; F403-I448 HydrophobicContact CD1-CG2 4.41Å; F403-I448 HydrophobicContact CG-CG2 4.09Å; K404-I448 CarbonylContact O-C 3.56Å; K404-I448 VanDerWaalsContact O-CA 3.27Å; K404-I448 WeakPolarHBondContact O-CA 3.49Å; V405-I448 HydrophobicContact CG1-CG1 4.34Å; V405-I448 HydrophobicContact CG2-CG1 4.24Å; V405-I448 HydrophobicContact CG2-CG2 4.41Å; E431-I448 CarbonylContact C-O 3.47Å; E431-I448 WeakPolarHBondContact CA-O 3.2Å; E431-I448 VanDerWaalsContact CB-O 3.23Å; E431-I448 WeakPolarHBondContact CB-O 3.49Å; Y432-I448 HydrophobicContact CD1-CD1 3.87Å; Y432-I448 HydrophobicContact CD1-CG1 4.46Å; Y432-I448 HydrophobicContact CG-CD1 4.2Å; Y432-I448 PolarHBondContact N-O 3.22Å; Y432-I448 PolarHBondContact O-N 3.48Å; V446-I448 HydrophobicContact CG1-CD1 4.02Å; V446-I448 HydrophobicContact CG1-CG1 3.97Å
449G93.2Very high93.6Very high7 Ų731.2 Ų31.27%0.07217%0.173CC..SBendtrans90.9-168.7-17200000112.4K404 T451K404-G449 PolarHBondContact O-N 3.05Å; G449-T451 PolarHBondContact O-N 3.37Å
450E91.2Very high93.5Very high143 Ų14326.6 Ų26.667%0.66815%0.148SC*.SBendtrans-9184.4176.6-62-55.3153.700109.9K404K404-E450 WeakPolarHBondContact CD-OE1 3.34Å; K404-E450 IonicContact NZ-OE2 3.03Å; K404-E450 PolarHBondContact NZ-OE2 3.17Å; K404-E450 VanDerWaalsContact NZ-OE2 3.08Å
451T89.7Confident93.5Very high14 Ų1426.7 Ų26.79%0.08615%0.147CC..  trans-88.1-27.6-169.866.60000113.4E431 I433 L447 G449 L453E431-T451 HydrophobicContact CB-CG2 4.21Å; I433-T451 HydrophobicContact CD1-CG2 3.92Å; I433-T451 HydrophobicContact CG1-CG2 3.49Å; I433-T451 VanDerWaalsContact CG1-CG2 3.49Å; L447-T451 HydrophobicContact CB-CG2 3.99Å; G449-T451 PolarHBondContact O-N 3.37Å; T451-L453 PolarHBondContact O-N 3.05Å; T451-L453 PolarHBondContact OG1-N 2.87Å
452G86.2Confident93.3Very high59 Ų5926.6 Ų26.661%0.60815%0.149SC*.SBendtrans67.712.4-17600000114.4E454G452-E454 WeakPolarHBondContact CA-OE2 3.49Å; G452-E454 PolarHBondContact N-OE2 3.21Å
453L90Very high93.1Very high18 Ų1832 Ų329%0.09418%0.178CC..  trans-103.12.6-177-63.1-178.6000113.3I433 L447 T451 V456 V457 L475 L481I433-L453 HydrophobicContact CD1-CD1 3.8Å; I433-L453 HydrophobicContact CG1-CD1 4.36Å; I433-L453 HydrophobicContact CG2-CD1 3.87Å; L447-L453 HydrophobicContact CD1-CB 4.29Å; L447-L453 HydrophobicContact CD2-CB 4.4Å; T451-L453 PolarHBondContact O-N 3.05Å; T451-L453 PolarHBondContact OG1-N 2.87Å; L453-V456 PolarHBondContact O-N 3.27Å; L453-V457 HydrophobicContact CB-CG2 4.43Å; L453-V457 WeakPolarHBondContact O-CB 3.31Å; L453-V457 VanDerWaalsContact O-CG2 3.29Å; L453-V457 WeakPolarHBondContact O-CG2 3.32Å; L453-V457 PolarHBondContact O-N 2.79Å; L453-L475 HydrophobicContact CD1-CD2 3.9Å; L453-L481 HydrophobicContact CD2-CD1 3.84Å
454E91.2Very high92.9Very high13 Ų1336 Ų366%0.06120%0.197CC..Hα-helixtrans-56.2-58.9-173.2-64.388.4157.300112.3V51 L55 K404 I406 L447 G452 V457 E458V51-E454 HydrophobicContact CG1-CB 4.23Å; V51-E454 HydrophobicContact CG1-CG 3.96Å; L55-E454 HydrophobicContact CD2-CB 3.98Å; L55-E454 HydrophobicContact CD2-CG 4.06Å; K404-E454 IonicContact NZ-OE1 3.44Å; K404-E454 PolarHBondContact NZ-OE1 3.35Å; I406-E454 HydrophobicContact CD1-CB 4.47Å; I406-E454 HydrophobicContact CD1-CG 3.21Å; I406-E454 WeakPolarHBondContact CD1-OE1 3.45Å; L447-E454 HydrophobicContact CD1-CG 4.13Å; G452-E454 WeakPolarHBondContact CA-OE2 3.49Å; G452-E454 PolarHBondContact N-OE2 3.21Å; E454-V457 PolarHBondContact O-N 2.8Å; E454-E458 PolarHBondContact O-N 2.77Å; E454-E458 VanDerWaalsContact O-N 3.1Å
455E90.5Very high92.8Very high110 Ų11037.7 Ų37.751%0.51421%0.207SC..Hα-helixtrans-68-37.8-177.4-177.6167.4-168.500111.7V457 E458 N459E455-V457 PolarHBondContact O-N 2.59Å; E455-E458 PolarHBondContact O-N 3.02Å; E455-N459 WeakPolarHBondContact O-CB 3.34Å; E455-N459 VanDerWaalsContact O-CG 3.24Å; E455-N459 PolarHBondContact O-N 3.03Å; E455-N459 PolarHBondContact O-ND2 2.88Å
456V90.6Very high92.7Very high40 Ų4041.8 Ų41.824%0.24223%0.229CC..Hα-helixtrans-59.4-49.8176.3178.30000110.3L453 E458 N459 L460 L481L453-V456 PolarHBondContact O-N 3.27Å; V456-E458 PolarHBondContact O-N 2.83Å; V456-N459 PolarHBondContact O-N 3.03Å; V456-L460 HydrophobicContact CG1-CD1 3.95Å; V456-L460 HydrophobicContact CG1-CG 4.35Å; V456-L460 VanDerWaalsContact O-CG 3.23Å; V456-L460 WeakPolarHBondContact O-CG 3.48Å; V456-L460 PolarHBondContact O-N 3.07Å; V456-L481 HydrophobicContact CG1-CD1 3.99Å
457V93.5Very high92.5Very high1 Ų141.8 Ų41.81%0.00623%0.229CC..Hα-helixtrans-63.5-43.4179.8170.10000111.5I408 I435 V442 A445 L453 E454 E455 N459 L460 I461I408-V457 HydrophobicContact CB-CG1 4.19Å; I408-V457 HydrophobicContact CD1-CB 3.99Å; I408-V457 HydrophobicContact CD1-CG1 3.81Å; I408-V457 HydrophobicContact CG2-CG1 4.06Å; I435-V457 HydrophobicContact CD1-CG2 3.84Å; I435-V457 HydrophobicContact CG1-CG2 4.26Å; V442-V457 HydrophobicContact CG1-CG1 4.21Å; A445-V457 HydrophobicContact CB-CG1 3.67Å; A445-V457 HydrophobicContact CB-CG2 4.24Å; L453-V457 HydrophobicContact CB-CG2 4.43Å; L453-V457 WeakPolarHBondContact O-CB 3.31Å; L453-V457 VanDerWaalsContact O-CG2 3.29Å; L453-V457 WeakPolarHBondContact O-CG2 3.32Å; L453-V457 PolarHBondContact O-N 2.79Å; E454-V457 PolarHBondContact O-N 2.8Å; E455-V457 PolarHBondContact O-N 2.59Å; V457-N459 VanDerWaalsContact C-N 3.34Å; V457-N459 PolarHBondContact O-N 2.75Å; V457-L460 PolarHBondContact O-N 2.97Å; V457-I461 HydrophobicContact CG1-CD1 3.9Å; V457-I461 WeakPolarHBondContact O-CG1 3.37Å; V457-I461 PolarHBondContact O-N 3.03Å; V457-I461 VanDerWaalsContact O-N 3.15Å
458E93.3Very high92.4Very high0 Ų045.1 Ų45.10%025%0.252CS..Hα-helixtrans-57.9-48.8175.8-73.7-167.6111.900111.3G52 A53 I54 L55 L393 T395 I408 E454 E455 V456 L460 I461 M462G52-E458 WeakPolarHBondContact CA-OE2 3.23Å; A53-E458 PolarHBondContact N-OE2 2.88Å; I54-E458 WeakPolarHBondContact CA-OE1 3.45Å; I54-E458 WeakPolarHBondContact CB-OE1 3.27Å; I54-E458 PolarHBondContact N-OE1 3.02Å; I54-E458 VanDerWaalsContact N-OE1 3.15Å; I54-E458 PolarHBondContact N-OE2 3.25Å; L55-E458 WeakPolarHBondContact CB-OE1 3.5Å; L55-E458 WeakPolarHBondContact CB-OE2 3.18Å; L55-E458 PolarHBondContact N-OE1 2.92Å; L55-E458 PolarHBondContact N-OE2 2.89Å; L393-E458 HydrophobicContact CD2-CB 4.14Å; L393-E458 HydrophobicContact CD2-CG 3.9Å; T395-E458 VanDerWaalsContact CG2-OE1 3.3Å; T395-E458 WeakPolarHBondContact CG2-OE1 3.44Å; I408-E458 HydrophobicContact CD1-CG 4.19Å; I408-E458 HydrophobicContact CG2-CG 4.14Å; E454-E458 PolarHBondContact O-N 2.77Å; E454-E458 VanDerWaalsContact O-N 3.1Å; E455-E458 PolarHBondContact O-N 3.02Å; V456-E458 PolarHBondContact O-N 2.83Å; E458-L460 VanDerWaalsContact C-N 3.35Å; E458-L460 PolarHBondContact O-N 3.04Å; E458-I461 PolarHBondContact O-N 3.43Å; E458-M462 WeakPolarHBondContact O-CB 3.47Å; E458-M462 VanDerWaalsContact O-CG 3.23Å; E458-M462 WeakPolarHBondContact O-CG 3.37Å; E458-M462 PolarHBondContact O-N 3.28Å
459N92.1Very high92.1Very high55 Ų5556.6 Ų56.629%0.29430%0.295SS..Hα-helixtrans-63.6-39.6-179.2-71.8-23.9000111.9E455 V456 V457 I461 N463E455-N459 WeakPolarHBondContact O-CB 3.34Å; E455-N459 VanDerWaalsContact O-CG 3.24Å; E455-N459 PolarHBondContact O-N 3.03Å; E455-N459 PolarHBondContact O-ND2 2.88Å; V456-N459 PolarHBondContact O-N 3.03Å; V457-N459 VanDerWaalsContact C-N 3.34Å; V457-N459 PolarHBondContact O-N 2.75Å; N459-I461 VanDerWaalsContact C-N 3.31Å; N459-I461 PolarHBondContact O-N 2.58Å; N459-N463 WeakPolarHBondContact O-CB 3.22Å; N459-N463 VanDerWaalsContact O-CG 3.28Å; N459-N463 PolarHBondContact O-N 2.7Å; N459-N463 PolarHBondContact O-ND2 3Å
460L94.2Very high91.8Very high4 Ų456.9 Ų56.92%0.02130%0.295CS..Hα-helixtrans-62.1-38.7177.2-70.6174.9000112.6V442 V456 V457 E458 H464 T465 I467 L474 F485V442-L460 HydrophobicContact CB-CB 4.11Å; V442-L460 HydrophobicContact CG2-CB 3.97Å; V442-L460 HydrophobicContact CG2-CD1 3.89Å; V456-L460 HydrophobicContact CG1-CD1 3.95Å; V456-L460 HydrophobicContact CG1-CG 4.35Å; V456-L460 VanDerWaalsContact O-CG 3.23Å; V456-L460 WeakPolarHBondContact O-CG 3.48Å; V456-L460 PolarHBondContact O-N 3.07Å; V457-L460 PolarHBondContact O-N 2.97Å; E458-L460 VanDerWaalsContact C-N 3.35Å; E458-L460 PolarHBondContact O-N 3.04Å; L460-H464 PolarHBondContact O-N 3.08Å; L460-T465 HydrophobicContact CD2-CG2 3.86Å; L460-T465 PolarHBondContact O-N 3.09Å; L460-I467 HydrophobicContact CD1-CG2 4.15Å; L460-I467 HydrophobicContact CD2-CG2 3.79Å; L460-I467 HydrophobicContact CG-CG2 4.5Å; L460-L474 HydrophobicContact CD1-CD1 3.93Å; L460-F485 HydrophobicContact CD1-CZ 4.44Å; L460-F485 HydrophobicContact CD2-CD1 4.15Å; L460-F485 HydrophobicContact CD2-CE1 3.51Å; L460-F485 HydrophobicContact CD2-CE2 4.07Å; L460-F485 HydrophobicContact CD2-CZ 3.47Å; L460-F485 VanDerWaalsContact CD2-CZ 3.47Å
461I95.8Very high91.6Very high8 Ų852.1 Ų52.14%0.04127%0.273CS..Hα-helixtrans-72.4-54.1177-62.8166.5000110H355 L393 I408 V442 V457 E458 N459 N463 H464H355-I461 HydrophobicContact CB-CG2 4.22Å; L393-I461 HydrophobicContact CD1-CB 4.42Å; L393-I461 HydrophobicContact CD1-CD1 4.1Å; L393-I461 HydrophobicContact CD1-CG2 3.81Å; I408-I461 HydrophobicContact CG2-CD1 3.73Å; V442-I461 HydrophobicContact CB-CG1 4.05Å; V442-I461 HydrophobicContact CG1-CD1 4.05Å; V442-I461 HydrophobicContact CG1-CG1 3.67Å; V442-I461 WeakPolarHBondContact O-CG1 3.47Å; V457-I461 HydrophobicContact CG1-CD1 3.9Å; V457-I461 WeakPolarHBondContact O-CG1 3.37Å; V457-I461 PolarHBondContact O-N 3.03Å; V457-I461 VanDerWaalsContact O-N 3.15Å; E458-I461 PolarHBondContact O-N 3.43Å; N459-I461 VanDerWaalsContact C-N 3.31Å; N459-I461 PolarHBondContact O-N 2.58Å; I461-N463 VanDerWaalsContact C-N 3.35Å; I461-N463 PolarHBondContact O-N 2.77Å; I461-H464 PolarHBondContact O-N 2.68Å
462M92.3Very high91.2Very high59 Ų5958.2 Ų58.229%0.29131%0.305SS..Hα-helixtrans-62.9-39.4-174.8-68.2-61.1-61.700112.4I54 E392 L393 E458 H464I54-M462 HydrophobicContact CD1-CE 3.77Å; I54-M462 HydrophobicContact CD1-CG 4.37Å; I54-M462 HydrophobicContact CD1-SD 3.81Å; E392-M462 HydrophobicContact CB-CE 4.23Å; E392-M462 WeakPolarHBondContact OE2-CE 3.23Å; L393-M462 HydrophobicContact CB-SD 3.72Å; L393-M462 HydrophobicContact CD2-CG 4Å; L393-M462 HydrophobicContact CD2-SD 3.98Å; L393-M462 HydrophobicContact CG-SD 4.41Å; E458-M462 WeakPolarHBondContact O-CB 3.47Å; E458-M462 VanDerWaalsContact O-CG 3.23Å; E458-M462 WeakPolarHBondContact O-CG 3.37Å; E458-M462 PolarHBondContact O-N 3.28Å; M462-H464 VanDerWaalsContact C-N 3.26Å; M462-H464 PolarHBondContact O-N 3.35Å
463N93.1Very high91.2Very high115 Ų11558 Ų5862%0.61529%0.289SS*.THydrogen-bonded Turntrans-83.6-2.7178.7-62.3-25.2000112.8N459 I461 T465N459-N463 WeakPolarHBondContact O-CB 3.22Å; N459-N463 VanDerWaalsContact O-CG 3.28Å; N459-N463 PolarHBondContact O-N 2.7Å; N459-N463 PolarHBondContact O-ND2 3Å; I461-N463 VanDerWaalsContact C-N 3.35Å; I461-N463 PolarHBondContact O-N 2.77Å; N463-T465 VanDerWaalsContact C-N 3.33Å; N463-T465 PolarHBondContact O-N 3.17Å
464H93.6Very high91Very high110 Ų11057.3 Ų57.351%0.50929%0.286SS..THydrogen-bonded Turntrans49.553.9-175.3-165.864.7000111.7Y441 L460 I461 M462Y441-H464 AromaticContact CD1-CD2 3.92Å; Y441-H464 AromaticContact CD1-CE1 3.61Å; Y441-H464 AromaticContact CD1-CG 3.89Å; Y441-H464 AromaticContact CD1-ND1 3.7Å; Y441-H464 AromaticContact CD1-NE2 3.78Å; Y441-H464 WeakPolarHBondContact CD1-O 3.02Å; Y441-H464 AromaticContact CD2-CE1 3.85Å; Y441-H464 AromaticContact CE1-CD2 3.57Å; Y441-H464 AromaticContact CE1-CE1 3.85Å; Y441-H464 AromaticContact CE1-CG 3.99Å; Y441-H464 AromaticContact CE1-NE2 3.52Å; Y441-H464 WeakPolarHBondContact CE1-O 3.44Å; Y441-H464 AromaticContact CE2-NE2 3.87Å; Y441-H464 AromaticContact CG-CE1 3.61Å; Y441-H464 AromaticContact CG-ND1 3.97Å; Y441-H464 AromaticContact CZ-NE2 3.57Å; L460-H464 PolarHBondContact O-N 3.08Å; I461-H464 PolarHBondContact O-N 2.68Å; M462-H464 VanDerWaalsContact C-N 3.26Å; M462-H464 PolarHBondContact O-N 3.35Å
465T93.9Very high90.8Very high35 Ų3557.6 Ų57.622%0.21529%0.288CS..  trans-84.7126.6-173.3-57.30000111.1Y441 L460 N463 I467 F485Y441-T465 WeakPolarHBondContact CD1-O 3.4Å; L460-T465 HydrophobicContact CD2-CG2 3.86Å; L460-T465 PolarHBondContact O-N 3.09Å; N463-T465 VanDerWaalsContact C-N 3.33Å; N463-T465 PolarHBondContact O-N 3.17Å; T465-I467 PolarHBondContact O-N 3.11Å; T465-F485 HydrophobicContact CG2-CD1 4.03Å; T465-F485 HydrophobicContact CG2-CE1 3.68Å
466D94.8Very high90.4Very high86 Ų8654.9 Ų54.946%0.4628%0.277SS..BIsolated β-bridgetrans-74.1110.6173.5-178.4-1.4000109.8Y441 S468Y441-D466 HydrophobicContact CD1-CB 4.46Å; Y441-D466 HydrophobicContact CE1-CB 3.77Å; D466-S468 WeakPolarHBondContact OD1-CB 3.47Å; D466-S468 PolarHBondContact OD1-N 2.93Å; D466-S468 PolarHBondContact OD1-OG 3.42Å
467I93.8Very high89.7Confident0 Ų057.7 Ų57.70%030%0.296CS..  trans-948.1-179.761.3156.6000112.9V437 G440 V442 L460 T465 R469 V470 K471 L474 F485V437-I467 HydrophobicContact CG1-CD1 4.05Å; V437-I467 HydrophobicContact CG1-CG1 4.35Å; V437-I467 HydrophobicContact CG2-CD1 3.78Å; G440-I467 WeakPolarHBondContact O-CG1 3.38Å; G440-I467 PolarHBondContact O-N 3.09Å; V442-I467 HydrophobicContact CG2-CD1 3.71Å; V442-I467 HydrophobicContact CG2-CG1 4.35Å; V442-I467 HydrophobicContact CG2-CG2 4.35Å; L460-I467 HydrophobicContact CD1-CG2 4.15Å; L460-I467 HydrophobicContact CD2-CG2 3.79Å; L460-I467 HydrophobicContact CG-CG2 4.5Å; T465-I467 PolarHBondContact O-N 3.11Å; I467-R469 PolarHBondContact O-N 2.55Å; I467-V470 HydrophobicContact CB-CG2 3.92Å; I467-V470 HydrophobicContact CG2-CG2 4.28Å; I467-V470 CarbonylContact O-C 3.4Å; I467-V470 PolarHBondContact O-N 3.25Å; I467-K471 HydrophobicContact CD1-CG 4.35Å; I467-K471 WeakPolarHBondContact O-CA 3.25Å; I467-K471 WeakPolarHBondContact O-CB 3.31Å; I467-K471 PolarHBondContact O-N 3Å; I467-L474 HydrophobicContact CD1-CD2 3.77Å; I467-F485 HydrophobicContact CG2-CZ 4.27Å
468S93Very high88.9Confident70 Ų7063.4 Ų63.449%0.4933%0.331SS..THydrogen-bonded Turntrans-53.9-29.5-174.4-62.50000113.9D466D466-S468 WeakPolarHBondContact OD1-CB 3.47Å; D466-S468 PolarHBondContact OD1-N 2.93Å; D466-S468 PolarHBondContact OD1-OG 3.42Å
469R88.4Confident87.8Confident241 Ų24165.3 Ų65.391%0.90934%0.341SS*.THydrogen-bonded Turntrans-81.8-22179.4-65.4-176-179.7171.83114.5I467I467-R469 PolarHBondContact O-N 2.55Å
470V87.4Confident86.6Confident13 Ų1366.8 Ų66.88%0.07935%0.348CS..THydrogen-bonded Turntrans-120.92.1-172.8-54.40000112.1I467 D472 D473 L474 Y484 F485I467-V470 HydrophobicContact CB-CG2 3.92Å; I467-V470 HydrophobicContact CG2-CG2 4.28Å; I467-V470 CarbonylContact O-C 3.4Å; I467-V470 PolarHBondContact O-N 3.25Å; V470-D472 VanDerWaalsContact C-N 3.29Å; V470-D472 PolarHBondContact O-N 3.43Å; V470-D473 CarbonylContact O-C 3.31Å; V470-D473 WeakPolarHBondContact O-CA 3.32Å; V470-D473 PolarHBondContact O-N 2.84Å; V470-L474 PolarHBondContact O-N 2.83Å; V470-Y484 HydrophobicContact CB-CD1 4.2Å; V470-Y484 HydrophobicContact CB-CE1 4.5Å; V470-Y484 HydrophobicContact CG1-CD1 3.18Å; V470-Y484 HydrophobicContact CG1-CE1 3.66Å; V470-Y484 HydrophobicContact CG1-CG 3.89Å; V470-F485 HydrophobicContact CG2-CZ 3.9Å
471K86.7Confident85.3Confident44 Ų4467.3 Ų67.319%0.19135%0.351CS..THydrogen-bonded Turntrans-52.4-45.3-173-172-179.763.3166.40112.7E421 L423 I467 D473 L474E421-K471 IonicContact OE1-NZ 2.74Å; E421-K471 PolarHBondContact OE1-NZ 2.95Å; E421-K471 IonicContact OE2-NZ 3.26Å; E421-K471 PolarHBondContact OE2-NZ 3.14Å; L423-K471 HydrophobicContact CD1-CG 3.83Å; L423-K471 HydrophobicContact CD2-CD 4.36Å; L423-K471 HydrophobicContact CD2-CG 3.98Å; L423-K471 HydrophobicContact CG-CG 4.47Å; I467-K471 HydrophobicContact CD1-CG 4.35Å; I467-K471 WeakPolarHBondContact O-CA 3.25Å; I467-K471 WeakPolarHBondContact O-CB 3.31Å; I467-K471 PolarHBondContact O-N 3Å; K471-D473 VanDerWaalsContact C-N 3.27Å; K471-D473 PolarHBondContact O-N 2.82Å; K471-L474 PolarHBondContact O-N 2.79Å
472D81.7Confident83.8Confident142 Ų14273.8 Ų73.876%0.75938%0.381SS*.THydrogen-bonded Turntrans-72.5-24.2-178.1-63.7-24.7000112.3V470V470-D472 VanDerWaalsContact C-N 3.29Å; V470-D472 PolarHBondContact O-N 3.43Å
473D86.2Confident82.3Confident53 Ų5377 Ų7728%0.28340%0.399SS..THydrogen-bonded Turntrans-93.7-14.7180-72.2-33.2000112.6V470 K471 L475 N476 I479V470-D473 CarbonylContact O-C 3.31Å; V470-D473 WeakPolarHBondContact O-CA 3.32Å; V470-D473 PolarHBondContact O-N 2.84Å; K471-D473 VanDerWaalsContact C-N 3.27Å; K471-D473 PolarHBondContact O-N 2.82Å; D473-L475 PolarHBondContact O-N 3.03Å; D473-L475 VanDerWaalsContact O-N 3.1Å; D473-N476 VanDerWaalsContact O-CB 3.27Å; D473-N476 WeakPolarHBondContact O-CB 3.32Å; D473-N476 PolarHBondContact O-N 2.99Å; D473-I479 HydrophobicContact CB-CD1 3.49Å; D473-I479 VanDerWaalsContact CB-CD1 3.49Å; D473-I479 WeakPolarHBondContact OD1-CD1 3.4Å
474L85.5Confident80.8Confident4 Ų476.2 Ų76.22%0.02139%0.389CS..THydrogen-bonded Turntrans-56.4-34.9-172.4-173.465.8000113.3L423 I435 V442 L460 I467 V470 K471 L481L423-L474 HydrophobicContact CD1-CB 4.39Å; L423-L474 HydrophobicContact CD1-CD2 3.93Å; I435-L474 HydrophobicContact CD1-CD2 3.68Å; I435-L474 HydrophobicContact CD1-CG 4.12Å; I435-L474 HydrophobicContact CG2-CD2 4.22Å; V442-L474 HydrophobicContact CG2-CD2 4.43Å; L460-L474 HydrophobicContact CD1-CD1 3.93Å; I467-L474 HydrophobicContact CD1-CD2 3.77Å; V470-L474 PolarHBondContact O-N 2.83Å; K471-L474 PolarHBondContact O-N 2.79Å; L474-L481 HydrophobicContact CD1-CD1 3.93Å; L474-L481 HydrophobicContact CD1-CD2 3.93Å; L474-L481 WeakPolarHBondContact O-CD1 3.38Å
475L86.7Confident79.2Confident20 Ų2074.7 Ų74.711%0.10538%0.381CS..THydrogen-bonded Turntrans-1037.6178.4-62.1-171.5000112.9L423 R425 I433 I435 L453 D473 P477L423-L475 VanDerWaalsContact C-CD1 3.46Å; L423-L475 HydrophobicContact CB-CD1 3.67Å; L423-L475 HydrophobicContact CB-CG 4.25Å; R425-L475 HydrophobicContact CB-CB 4.17Å; R425-L475 HydrophobicContact CB-CD1 4.03Å; R425-L475 WeakPolarHBondContact CD-O 3.33Å; R425-L475 PolarHBondContact NH1-O 3Å; I433-L475 HydrophobicContact CG2-CD1 4.22Å; I433-L475 HydrophobicContact CG2-CD2 3.5Å; I433-L475 VanDerWaalsContact CG2-CD2 3.5Å; I435-L475 HydrophobicContact CD1-CD2 3.57Å; I435-L475 HydrophobicContact CG1-CD2 4.16Å; L453-L475 HydrophobicContact CD1-CD2 3.9Å; D473-L475 PolarHBondContact O-N 3.03Å; D473-L475 VanDerWaalsContact O-N 3.1Å; L475-P477 VanDerWaalsContact O-CD 3.25Å; L475-P477 WeakPolarHBondContact O-CD 3.3Å
476N82.9Confident77.2Confident53 Ų5382.9 Ų82.928%0.28342%0.423SS..  trans-75.5112.9178.4-174.5-13.2000109.8D473 T478 I479D473-N476 VanDerWaalsContact O-CB 3.27Å; D473-N476 WeakPolarHBondContact O-CB 3.32Å; D473-N476 PolarHBondContact O-N 2.99Å; N476-T478 VanDerWaalsContact CG-OG1 3.31Å; N476-T478 PolarHBondContact ND2-OG1 2.99Å; N476-T478 PolarHBondContact O-N 3.01Å; N476-T478 VanDerWaalsContact O-N 3.08Å; N476-T478 WeakPolarHBondContact OD1-CB 3.39Å; N476-T478 PolarHBondContact OD1-N 3.46Å; N476-T478 PolarHBondContact OD1-OG1 3.24Å; N476-I479 HydrophobicContact CB-CB 4.24Å; N476-I479 HydrophobicContact CB-CD1 3.88Å; N476-I479 HydrophobicContact CB-CG1 4.07Å; N476-I479 VanDerWaalsContact ND2-CD1 3.34Å; N476-I479 WeakPolarHBondContact ND2-CD1 2.85Å; N476-I479 PolarHBondContact O-N 3.4Å; N476-I479 VanDerWaalsContact O-N 3.12Å
477P75.9Confident76.3Confident99 Ų9982.7 Ų82.764%0.64342%0.421SS*.THydrogen-bonded Turntrans-68.8-9.5-177.330.6-36.5000113.5L475L475-P477 VanDerWaalsContact O-CD 3.25Å; L475-P477 WeakPolarHBondContact O-CD 3.3Å
478T75Confident75.4Confident121 Ų12187.1 Ų87.174%0.74244%0.444SS*.THydrogen-bonded Turntrans-90.3-6.6177.565.30000113.2N476N476-T478 VanDerWaalsContact CG-OG1 3.31Å; N476-T478 PolarHBondContact ND2-OG1 2.99Å; N476-T478 PolarHBondContact O-N 3.01Å; N476-T478 VanDerWaalsContact O-N 3.08Å; N476-T478 WeakPolarHBondContact OD1-CB 3.39Å; N476-T478 PolarHBondContact OD1-N 3.46Å; N476-T478 PolarHBondContact OD1-OG1 3.24Å
479I70.6Confident74.4Confident40 Ų4088 Ų8821%0.20544%0.441CS..SBendtrans-106.2127.8-178.8-67.9179.5000108.2D473 N476 L481 Y484D473-I479 HydrophobicContact CB-CD1 3.49Å; D473-I479 VanDerWaalsContact CB-CD1 3.49Å; D473-I479 WeakPolarHBondContact OD1-CD1 3.4Å; N476-I479 HydrophobicContact CB-CB 4.24Å; N476-I479 HydrophobicContact CB-CD1 3.88Å; N476-I479 HydrophobicContact CB-CG1 4.07Å; N476-I479 VanDerWaalsContact ND2-CD1 3.34Å; N476-I479 WeakPolarHBondContact ND2-CD1 2.85Å; N476-I479 PolarHBondContact O-N 3.4Å; N476-I479 VanDerWaalsContact O-N 3.12Å; I479-L481 PolarHBondContact O-N 2.86Å; I479-Y484 HydrophobicContact CG2-CD2 4.02Å; I479-Y484 HydrophobicContact CG2-CE2 3.34Å
480D68.3Low73.6Confident85 Ų8579 Ų7946%0.45541%0.413SS..  trans-78.4118168.2-158.8-26.9000108.3E482 D483D480-E482 PolarHBondContact O-N 3.28Å; D480-E482 WeakPolarHBondContact OD1-CB 3.32Å; D480-E482 PolarHBondContact OD1-N 3.38Å; D480-D483 WeakPolarHBondContact O-CB 3.32Å; D480-D483 PolarHBondContact O-N 3.27Å
481L66.7Low72.7Confident15 Ų1583.1 Ų83.18%0.07943%0.434CS..SBendtrans-72.4-22.6179.5-66.5171.9000111.5L453 V456 L474 I479 D483 Y484 F485L453-L481 HydrophobicContact CD2-CD1 3.84Å; V456-L481 HydrophobicContact CG1-CD1 3.99Å; L474-L481 HydrophobicContact CD1-CD1 3.93Å; L474-L481 HydrophobicContact CD1-CD2 3.93Å; L474-L481 WeakPolarHBondContact O-CD1 3.38Å; I479-L481 PolarHBondContact O-N 2.86Å; L481-D483 PolarHBondContact O-N 3.3Å; L481-Y484 PolarHBondContact O-N 3.22Å; L481-F485 HydrophobicContact CB-CD2 4.45Å; L481-F485 HydrophobicContact CB-CE2 4.32Å; L481-F485 WeakPolarHBondContact O-CD2 3.43Å
482E62.9Low71.8Confident145 Ų14585.7 Ų85.768%0.67845%0.451SS*.Hα-helixtrans-57.7-36.6175.2-64.3-175.4179.800110.7D480 Y484 F485 D486D480-E482 PolarHBondContact O-N 3.28Å; D480-E482 WeakPolarHBondContact OD1-CB 3.32Å; D480-E482 PolarHBondContact OD1-N 3.38Å; E482-Y484 PolarHBondContact O-N 3.47Å; E482-F485 PolarHBondContact O-N 3.41Å; E482-D486 PolarHBondContact O-N 3.13Å
483D62.3Low71.1Confident125 Ų12581.7 Ų81.767%0.66843%0.428SS*.Hα-helixtrans-61-17.5177.7-73.8-18.9000114D480 L481D480-D483 WeakPolarHBondContact O-CB 3.32Å; D480-D483 PolarHBondContact O-N 3.27Å; L481-D483 PolarHBondContact O-N 3.3Å
484Y59.8Low69.9Low100 Ų10083.9 Ų83.939%0.39244%0.44SS..Hα-helixtrans-103-15.2-176.9-73.2-93.5000114.3V470 I479 L481 E482V470-Y484 HydrophobicContact CB-CD1 4.2Å; V470-Y484 HydrophobicContact CB-CE1 4.5Å; V470-Y484 HydrophobicContact CG1-CD1 3.18Å; V470-Y484 HydrophobicContact CG1-CE1 3.66Å; V470-Y484 HydrophobicContact CG1-CG 3.89Å; I479-Y484 HydrophobicContact CG2-CD2 4.02Å; I479-Y484 HydrophobicContact CG2-CE2 3.34Å; L481-Y484 PolarHBondContact O-N 3.22Å; E482-Y484 PolarHBondContact O-N 3.47Å
485F60.7Low68.6Low77 Ų7790.6 Ų90.634%0.33848%0.475SS..Hα-helixtrans-119.18.8-173-60.5-66.2000114.7L460 T465 I467 V470 L481 E482L460-F485 HydrophobicContact CD1-CZ 4.44Å; L460-F485 HydrophobicContact CD2-CD1 4.15Å; L460-F485 HydrophobicContact CD2-CE1 3.51Å; L460-F485 HydrophobicContact CD2-CE2 4.07Å; L460-F485 HydrophobicContact CD2-CZ 3.47Å; L460-F485 VanDerWaalsContact CD2-CZ 3.47Å; T465-F485 HydrophobicContact CG2-CD1 4.03Å; T465-F485 HydrophobicContact CG2-CE1 3.68Å; I467-F485 HydrophobicContact CG2-CZ 4.27Å; V470-F485 HydrophobicContact CG2-CZ 3.9Å; L481-F485 HydrophobicContact CB-CD2 4.45Å; L481-F485 HydrophobicContact CB-CE2 4.32Å; L481-F485 WeakPolarHBondContact O-CD2 3.43Å; E482-F485 PolarHBondContact O-N 3.41Å
486D51.8Low67Low207 Ų20797 Ų97100%1.10751%0.508SS*.  trans-61.90159.3-87.3-11000112.2E482E482-D486 PolarHBondContact O-N 3.13Å

Retrieved 486 of 486 residues in 361 ms (Link to these results)

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