A0A087YFV2_POEFO Loading...

Glycerol kinase 5

Skin-specific kinase that plays a key role in glycerol metabolism, catalyzing its phosphorylation to produce sn-glycerol 3-phosphate. Involved in skin-specific regulation of sterol regulatory element-binding protein (SREBP) processing and lipid biosynthesis.

AlphaFold DB , UniProt , Accession A0A087YFV2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 525 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M41.1Very low42.5Very low244 Ų244159.3 Ų159.3100%1.20285%0.849SS**  0110.40-81.6-176.7-157.500108.7
2M31.6Very low46.6Very low194 Ų194154.5 Ų154.596%0.95682%0.818SS**  trans-172.392.9150.3-104.4173.6-174.100105.2
3G34.2Very low50.4Low76 Ų76144.5 Ų144.578%0.78477%0.768SS**  trans-72.3130.4176.400000109.7R5G3-R5 PolarHBondContact O-N 3.08Å
4S35.7Very low53.8Low115 Ų115134.2 Ų134.280%0.80471%0.714SS**  trans-69.2119.2168.679.20000108.2R6S4-R6 PolarHBondContact O-N 3.28Å; S4-R6 VanDerWaalsContact O-N 3.08Å
5R36.3Very low56.8Low236 Ų236125.3 Ų125.389%0.89167%0.666SS**  trans-65.6105167.5-76.5-179.4173.4-171.7-2.1107G3 N7G3-R5 PolarHBondContact O-N 3.08Å; R5-N7 PolarHBondContact O-N 2.96Å; R5-N7 VanDerWaalsContact O-N 3.16Å
6R40.5Very low59.4Low237 Ų237117.4 Ų117.489%0.89462%0.624SS**  trans-61.7112159.5-85.1-179170.8175.9-2.8106.8S4 G8S4-R6 PolarHBondContact O-N 3.28Å; S4-R6 VanDerWaalsContact O-N 3.08Å; R6-G8 PolarHBondContact O-N 3.16Å
7N38.3Very low61.7Low146 Ų146110.5 Ų110.578%0.78159%0.588SS**  trans-58.6103.2168.7-78.1-16.5000108.4R5 L9R5-N7 PolarHBondContact O-N 2.96Å; R5-N7 VanDerWaalsContact O-N 3.16Å; N7-L9 PolarHBondContact O-N 2.96Å
8G39.2Very low63.7Low76 Ų76104.4 Ų104.478%0.78456%0.555SS**  trans-75.964.8176.100000111.8R6 T10R6-G8 PolarHBondContact O-N 3.16Å; G8-T10 VanDerWaalsContact C-N 3.3Å; G8-T10 PolarHBondContact O-N 3.05Å; G8-T10 VanDerWaalsContact O-N 3.13Å
9L45.1Very low65.5Low159 Ų15999.2 Ų99.283%0.83253%0.527SS*.  trans-74.493158.6-86.1150.9000106.5N7 K11N7-L9 PolarHBondContact O-N 2.96Å; L9-K11 PolarHBondContact O-N 3.13Å
10T54.1Low67.1Low135 Ų13594.2 Ų94.283%0.82850%0.501SS*.  trans-52.6113.7161.436.70000107.1G8 E12G8-T10 VanDerWaalsContact C-N 3.3Å; G8-T10 PolarHBondContact O-N 3.05Å; G8-T10 VanDerWaalsContact O-N 3.13Å; T10-E12 PolarHBondContact O-N 3.1Å; T10-E12 VanDerWaalsContact O-N 3.1Å
11K71.8Confident68.3Low134 Ų13490.1 Ų90.158%0.58348%0.481SS*.  trans-57.8116.6179.1-168.9177.4-178.6-168.10107.5L9 S13 C81 Q82L9-K11 PolarHBondContact O-N 3.13Å; K11-S13 PolarHBondContact O-N 2.82Å; K11-C81 PolarHBondContact NZ-SG 2.93Å; K11-Q82 HydrophobicContact CG-CG 4.5Å
12E91Very high70.5Confident102 Ų10280.3 Ų80.348%0.47744%0.435SS..  trans-57.6127.5178-161.2-178.4-179.500108.1T10 F14 R37 Q82T10-E12 PolarHBondContact O-N 3.1Å; T10-E12 VanDerWaalsContact O-N 3.1Å; E12-F14 HydrophobicContact CB-CE2 4.3Å; E12-F14 HydrophobicContact CB-CZ 4.17Å; E12-F14 VanDerWaalsContact CD-CZ 3.49Å; E12-F14 HydrophobicContact CG-CE1 4.13Å; E12-F14 HydrophobicContact CG-CE2 4.13Å; E12-F14 HydrophobicContact CG-CZ 3.56Å; E12-R37 IonicContact OE1-CZ 3.11Å; E12-R37 IonicContact OE1-NH1 2.8Å; E12-R37 PolarHBondContact OE1-NH1 3.42Å; E12-R37 IonicContact OE1-NH2 2.79Å; E12-Q82 PolarHBondContact O-NE2 3.25Å
13S95.8Very high73.1Confident25 Ų2575.6 Ų75.618%0.17542%0.417CS..  trans-124.4156.9-175.273.40000110.9K11 Q82 E84 F476K11-S13 PolarHBondContact O-N 2.82Å; S13-Q82 WeakPolarHBondContact CA-O 3.4Å; S13-E84 WeakPolarHBondContact CB-OE1 3.46Å; S13-E84 PolarHBondContact OG-OE1 2.73Å; S13-F476 WeakPolarHBondContact O-CE2 3.13Å
14F98.4Very high75.9Confident0 Ų072.8 Ų72.80%039%0.385CS..EExtended strand (participates in β ladder)trans-141.7164.5-167.9-53.9-86000111.7E12 V29 Y30 D31 R37 V78 Q82 M83 E84E12-F14 HydrophobicContact CB-CE2 4.3Å; E12-F14 HydrophobicContact CB-CZ 4.17Å; E12-F14 VanDerWaalsContact CD-CZ 3.49Å; E12-F14 HydrophobicContact CG-CE1 4.13Å; E12-F14 HydrophobicContact CG-CE2 4.13Å; E12-F14 HydrophobicContact CG-CZ 3.56Å; F14-V29 HydrophobicContact CB-CG1 3.59Å; F14-V29 HydrophobicContact CD1-CG1 3.96Å; F14-V29 HydrophobicContact CG-CG1 3.77Å; F14-Y30 WeakPolarHBondContact CA-O 3.32Å; F14-Y30 WeakPolarHBondContact CB-O 3.4Å; F14-D31 HydrophobicContact CD1-CB 4.16Å; F14-D31 HydrophobicContact CE1-CB 4.16Å; F14-R37 HydrophobicContact CD1-CG 4.31Å; F14-R37 HydrophobicContact CE1-CG 3.98Å; F14-V78 HydrophobicContact CD2-CB 4.46Å; F14-V78 HydrophobicContact CD2-CG1 4.29Å; F14-V78 HydrophobicContact CD2-CG2 4.35Å; F14-V78 HydrophobicContact CE2-CB 4.09Å; F14-V78 HydrophobicContact CE2-CG1 3.56Å; F14-V78 HydrophobicContact CE2-CG2 4.42Å; F14-V78 HydrophobicContact CZ-CG1 3.8Å; F14-Q82 HydrophobicContact CD2-CB 4.01Å; F14-Q82 HydrophobicContact CE2-CB 4.37Å; F14-Q82 PolarHBondContact N-O 3.29Å; F14-M83 HydrophobicContact CB-CE 3.59Å; F14-M83 HydrophobicContact CB-SD 4.02Å; F14-M83 HydrophobicContact CD2-CE 3.72Å; F14-M83 HydrophobicContact CG-CE 4Å; F14-M83 WeakPolarHBondContact O-CA 3.44Å; F14-E84 PolarHBondContact O-N 3.13Å
15I98.5Very high78.9Confident0 Ų067.4 Ų67.40%035%0.348CS..EExtended strand (participates in β ladder)trans-107.2128.4169.9-61.5-65.2000109.3Y30 E84 A85 A467 V474 F476 W477I15-Y30 PolarHBondContact N-O 2.93Å; I15-Y30 PolarHBondContact O-N 2.97Å; I15-E84 HydrophobicContact CD1-CB 4.16Å; I15-A85 HydrophobicContact CD1-CB 3.96Å; I15-A467 HydrophobicContact CG2-CB 3.75Å; I15-V474 HydrophobicContact CD1-CG2 4.16Å; I15-F476 HydrophobicContact CD1-CB 3.82Å; I15-F476 HydrophobicContact CD1-CD1 4.18Å; I15-F476 HydrophobicContact CD1-CD2 4.09Å; I15-F476 HydrophobicContact CD1-CG 3.77Å; I15-F476 HydrophobicContact CG1-CB 4.13Å; I15-F476 HydrophobicContact CG1-CD1 3.52Å; I15-F476 HydrophobicContact CG1-CD2 4.06Å; I15-F476 HydrophobicContact CG1-CE1 3.84Å; I15-F476 HydrophobicContact CG1-CE2 4.37Å; I15-F476 HydrophobicContact CG1-CG 3.64Å; I15-F476 HydrophobicContact CG1-CZ 4.26Å; I15-W477 HydrophobicContact CB-CH2 4.34Å; I15-W477 HydrophobicContact CB-CZ3 4.38Å; I15-W477 HydrophobicContact CG1-CH2 4.03Å; I15-W477 HydrophobicContact CG1-CZ3 3.83Å
16L98.3Very high81.8Confident0 Ų058.9 Ų58.90%032%0.316CS..EExtended strand (participates in β ladder)trans-91132.9172.4-169.366.7000108.6C27 V29 V69 V73 M80 M83 A85 L86 G87L16-C27 WeakPolarHBondContact CD1-SG 3.47Å; L16-V29 HydrophobicContact CD1-CG2 3.94Å; L16-V69 HydrophobicContact CD2-CG1 3.72Å; L16-V73 HydrophobicContact CD1-CG2 3.84Å; L16-M80 HydrophobicContact CD2-SD 4.1Å; L16-M83 HydrophobicContact CB-CB 4.37Å; L16-M83 HydrophobicContact CB-CG 4.11Å; L16-M83 HydrophobicContact CB-SD 3.88Å; L16-M83 HydrophobicContact CD1-SD 4.22Å; L16-M83 HydrophobicContact CD2-CG 4.49Å; L16-A85 PolarHBondContact N-O 2.88Å; L16-L86 HydrophobicContact CB-CD1 4.17Å; L16-L86 HydrophobicContact CD2-CD1 3.9Å; L16-L86 HydrophobicContact CG-CD1 3.91Å; L16-L86 CarbonylContact O-C 3.31Å; L16-L86 VanDerWaalsContact O-CA 3.3Å; L16-L86 WeakPolarHBondContact O-CA 3.42Å; L16-G87 PolarHBondContact O-N 3.21Å
17S98.5Very high84.5Confident0 Ų047.6 Ų47.60%027%0.273CS..EExtended strand (participates in β ladder)trans-135.4141.1172.6172.40000111.9C27 H28 G87 S463S17-C27 CarbonylContact O-C 3.45Å; S17-C27 WeakPolarHBondContact O-CA 3.47Å; S17-C27 PolarHBondContact O-SG 2.64Å; S17-H28 PolarHBondContact N-O 2.91Å; S17-H28 PolarHBondContact O-N 3.43Å; S17-G87 CarbonylContact C-O 3.55Å; S17-G87 WeakPolarHBondContact CA-O 3.44Å; S17-G87 PolarHBondContact OG-O 3.35Å; S17-S463 WeakPolarHBondContact CB-OG 3.36Å; S17-S463 WeakPolarHBondContact OG-CA 3.27Å; S17-S463 PolarHBondContact OG-O 3.16Å; S17-S463 PolarHBondContact OG-OG 3.15Å
18V98.6Very high87.4Confident0 Ų041.1 Ų41.10%024%0.238CC..EExtended strand (participates in β ladder)trans-123.9128.4176.4-172.90000109.8V20 I25 R26 C27 F65 V68 V69 L86 G87 I88 S89V18-V20 HydrophobicContact CG1-CG2 4.11Å; V18-I25 HydrophobicContact CG1-CG2 3.92Å; V18-R26 CarbonylContact C-O 3.55Å; V18-R26 VanDerWaalsContact CA-O 3.28Å; V18-R26 WeakPolarHBondContact CA-O 3.42Å; V18-C27 HydrophobicContact CG2-CB 4.07Å; V18-F65 HydrophobicContact CB-CD2 4.41Å; V18-F65 HydrophobicContact CB-CE2 3.74Å; V18-F65 HydrophobicContact CB-CZ 4.22Å; V18-F65 HydrophobicContact CG1-CD2 3.68Å; V18-F65 HydrophobicContact CG1-CE2 3.51Å; V18-F65 HydrophobicContact CG1-CZ 4.34Å; V18-F65 HydrophobicContact CG2-CE2 3.9Å; V18-F65 HydrophobicContact CG2-CZ 3.9Å; V18-V68 HydrophobicContact CG1-CG2 4.26Å; V18-V69 HydrophobicContact CG2-CG2 3.43Å; V18-V69 VanDerWaalsContact CG2-CG2 3.43Å; V18-L86 HydrophobicContact CG2-CD1 4.01Å; V18-G87 PolarHBondContact N-O 2.89Å; V18-I88 CarbonylContact O-C 3.59Å; V18-I88 WeakPolarHBondContact O-CA 3.46Å; V18-S89 PolarHBondContact O-N 3.48Å
19D97.9Very high90.2Very high5 Ų537.5 Ų37.53%0.02720%0.201CC..EExtended strand (participates in β ladder)trans-109.9112.4173.1-178.648.3000110.1G21 I25 R26 S89 S462D19-G21 PolarHBondContact O-N 2.9Å; D19-I25 WeakPolarHBondContact O-CA 3.07Å; D19-R26 PolarHBondContact N-O 2.81Å; D19-R26 PolarHBondContact O-N 3.11Å; D19-R26 IonicContact OD2-CZ 3.23Å; D19-R26 IonicContact OD2-NE 3.74Å; D19-R26 IonicContact OD2-NH2 2.72Å; D19-R26 PolarHBondContact OD2-NH2 3.1Å; D19-S89 WeakPolarHBondContact CA-O 3.09Å; D19-S89 VanDerWaalsContact CA-OG 3.29Å; D19-S89 WeakPolarHBondContact CA-OG 3.02Å; D19-S89 WeakPolarHBondContact CB-OG 3.39Å; D19-S89 PolarHBondContact OD1-OG 3.03Å; D19-S462 WeakPolarHBondContact OD1-CB 3.24Å; D19-S462 PolarHBondContact OD1-OG 2.85Å
20V97.5Very high92.7Very high0 Ų030.1 Ų30.10%016%0.162CC..EExtended strand (participates in β ladder)trans-98.483.2179.8-168.90000109.1V18 I25 L61 F65 S89 T90 Q91 I190 L194V18-V20 HydrophobicContact CG1-CG2 4.11Å; V20-I25 HydrophobicContact CG1-CD1 4.47Å; V20-I25 HydrophobicContact CG1-CG1 4.26Å; V20-I25 HydrophobicContact CG2-CG2 4.2Å; V20-L61 HydrophobicContact CG1-CD1 3.95Å; V20-L61 HydrophobicContact CG1-CG 4.45Å; V20-F65 HydrophobicContact CG2-CD2 4.17Å; V20-S89 PolarHBondContact N-O 3.16Å; V20-T90 HydrophobicContact CB-CG2 4.08Å; V20-T90 HydrophobicContact CG2-CG2 4.19Å; V20-T90 CarbonylContact O-C 3.52Å; V20-Q91 PolarHBondContact O-N 3.34Å; V20-I190 HydrophobicContact CB-CG2 4.33Å; V20-I190 HydrophobicContact CG1-CD1 4.42Å; V20-I190 HydrophobicContact CG1-CG2 3.94Å; V20-L194 HydrophobicContact CG2-CD1 3.85Å
21G92.6Very high94.8Very high9 Ų924 Ų249%0.09312%0.124CC..  trans-84178.9178.800000113.5D19 S24D19-G21 PolarHBondContact O-N 2.9Å; G21-S24 WeakPolarHBondContact CA-O 3.47Å; G21-S24 PolarHBondContact N-O 3.33Å
22T86.6Confident95.9Very high37 Ų3721.6 Ų21.623%0.22711%0.114CC..SBendtrans-71.8-29.6-180-49.20000113.4V44 Q91 W112T22-V44 WeakPolarHBondContact O-CG1 3.4Å; T22-Q91 PolarHBondContact OG1-OE1 3.5Å; T22-W112 PolarHBondContact OG1-NE1 3.38Å; T22-W112 VanDerWaalsContact OG1-NE1 3.14Å
23T86.5Confident96.1Very high96 Ų9621.4 Ų21.459%0.58911%0.113SC*.SBendtrans-109.2-21.6-175.554.20000113.6V44T23-V44 PolarHBondContact O-N 3.23Å
24S93.3Very high96Very high16 Ų1620.4 Ų20.411%0.11211%0.106CC..EExtended strand (participates in β ladder)trans-154.4149.9-177.362.10000111.6G21 R26 S42G21-S24 WeakPolarHBondContact CA-O 3.47Å; G21-S24 PolarHBondContact N-O 3.33Å; S24-R26 PolarHBondContact OG-NE 3.05Å; S24-S42 CarbonylContact C-O 3.58Å; S24-S42 VanDerWaalsContact CA-O 3.23Å; S24-S42 WeakPolarHBondContact CA-O 3.34Å; S24-S42 WeakPolarHBondContact CB-O 3.32Å
25I97.4Very high95.8Very high3 Ų327.6 Ų27.62%0.01513%0.133CC..EExtended strand (participates in β ladder)trans-100.9129165.8-47.5-175.4000106.2V18 D19 V20 T41 S42 V44 L61 V68V18-I25 HydrophobicContact CG1-CG2 3.92Å; D19-I25 WeakPolarHBondContact O-CA 3.07Å; V20-I25 HydrophobicContact CG1-CD1 4.47Å; V20-I25 HydrophobicContact CG1-CG1 4.26Å; V20-I25 HydrophobicContact CG2-CG2 4.2Å; I25-T41 CarbonylContact O-C 3.56Å; I25-T41 WeakPolarHBondContact O-CA 3.47Å; I25-S42 PolarHBondContact N-O 3.45Å; I25-S42 PolarHBondContact O-N 3.19Å; I25-V44 HydrophobicContact CD1-CG2 4.25Å; I25-V44 HydrophobicContact CG1-CG2 3.52Å; I25-L61 HydrophobicContact CD1-CG 4.17Å; I25-L61 WeakPolarHBondContact CD1-O 3.24Å; I25-V68 HydrophobicContact CB-CG2 4.46Å; I25-V68 HydrophobicContact CG2-CG2 3.68Å
26R97.1Very high95.7Very high56 Ų5630.4 Ų30.421%0.21115%0.148CC..EExtended strand (participates in β ladder)trans-130.2139.1-176.6-69175.6-69.7-179.811.1110V18 D19 S24 C40 T41 E460V18-R26 CarbonylContact C-O 3.55Å; V18-R26 VanDerWaalsContact CA-O 3.28Å; V18-R26 WeakPolarHBondContact CA-O 3.42Å; D19-R26 PolarHBondContact N-O 2.81Å; D19-R26 PolarHBondContact O-N 3.11Å; D19-R26 IonicContact OD2-CZ 3.23Å; D19-R26 IonicContact OD2-NE 3.74Å; D19-R26 IonicContact OD2-NH2 2.72Å; D19-R26 PolarHBondContact OD2-NH2 3.1Å; S24-R26 PolarHBondContact OG-NE 3.05Å; R26-C40 CarbonylContact C-O 3.58Å; R26-C40 WeakPolarHBondContact CA-O 3.04Å; R26-T41 HydrophobicContact CG-CG2 3.61Å; R26-T41 WeakPolarHBondContact CG-OG1 3.39Å; R26-E460 IonicContact CZ-OE1 3.3Å; R26-E460 IonicContact CZ-OE2 3.41Å; R26-E460 IonicContact NE-OE2 3.74Å; R26-E460 IonicContact NH1-OE1 3.76Å; R26-E460 PolarHBondContact NH1-OE1 3.29Å; R26-E460 IonicContact NH1-OE2 3.63Å; R26-E460 PolarHBondContact NH1-OE2 3.27Å; R26-E460 IonicContact NH2-OE2 3.46Å; R26-E460 PolarHBondContact NH2-OE2 3.33Å
27C98.4Very high95.7Very high0 Ų035.3 Ų35.30%017%0.166CC..EExtended strand (participates in β ladder)trans-126.1139.9173.2-174.80000110.3L16 S17 V18 S39 C40 V68 A72L16-C27 WeakPolarHBondContact CD1-SG 3.47Å; S17-C27 CarbonylContact O-C 3.45Å; S17-C27 WeakPolarHBondContact O-CA 3.47Å; S17-C27 PolarHBondContact O-SG 2.64Å; V18-C27 HydrophobicContact CG2-CB 4.07Å; C27-S39 VanDerWaalsContact O-CA 3.3Å; C27-S39 WeakPolarHBondContact O-CA 3.35Å; C27-C40 PolarHBondContact N-O 3.03Å; C27-C40 PolarHBondContact O-N 3.24Å; C27-V68 HydrophobicContact CB-CB 3.8Å; C27-V68 HydrophobicContact CB-CG2 3.73Å; C27-V68 WeakPolarHBondContact CB-O 3.06Å; C27-A72 HydrophobicContact CB-CB 3.85Å; C27-A72 WeakPolarHBondContact O-CB 3.48Å
28H98.4Very high95.6Very high10 Ų1035.4 Ų35.45%0.04617%0.167CC..EExtended strand (participates in β ladder)trans-129145.5175.5-59.3117.3000110.8S17 Y30 I36 G38 S463S17-H28 PolarHBondContact N-O 2.91Å; S17-H28 PolarHBondContact O-N 3.43Å; H28-Y30 HydrophobicContact CB-CD2 4.08Å; H28-Y30 HydrophobicContact CB-CE1 4.42Å; H28-Y30 HydrophobicContact CB-CE2 3.47Å; H28-Y30 VanDerWaalsContact CB-CE2 3.47Å; H28-Y30 PolarHBondContact ND1-OH 2.86Å; H28-I36 HydrophobicContact CB-CG1 4.42Å; H28-I36 HydrophobicContact CB-CG2 4.42Å; H28-G38 WeakPolarHBondContact CA-O 3.45Å; H28-S463 PolarHBondContact ND1-OG 3.39Å; H28-S463 VanDerWaalsContact ND1-OG 3.12Å
29V98.6Very high95.6Very high0 Ų037.9 Ų37.90%018%0.184CC..EExtended strand (participates in β ladder)trans-103.5118.5166.8-179.70000108F14 L16 R37 G38 A72 V73 A76 V78 M83F14-V29 HydrophobicContact CB-CG1 3.59Å; F14-V29 HydrophobicContact CD1-CG1 3.96Å; F14-V29 HydrophobicContact CG-CG1 3.77Å; L16-V29 HydrophobicContact CD1-CG2 3.94Å; V29-R37 HydrophobicContact CG1-CB 4.43Å; V29-R37 PolarHBondContact O-N 2.78Å; V29-G38 PolarHBondContact N-O 3.49Å; V29-A72 HydrophobicContact CG2-CB 4.25Å; V29-V73 HydrophobicContact CG2-CG2 4.02Å; V29-A76 HydrophobicContact CB-CB 4.11Å; V29-A76 HydrophobicContact CG1-CB 4.21Å; V29-A76 HydrophobicContact CG2-CB 4.15Å; V29-V78 HydrophobicContact CG1-CG2 4.43Å; V29-M83 HydrophobicContact CG1-CE 4.02Å; V29-M83 HydrophobicContact CG1-SD 4.13Å; V29-M83 HydrophobicContact CG2-SD 4.42Å
30Y97.9Very high95.6Very high4 Ų439.1 Ų39.12%0.01619%0.193CC..EExtended strand (participates in β ladder)trans-104.5135.1-178.9-67.3-79.9000112.1F14 I15 H28 A34 R35 I36 S463 L464 A467F14-Y30 WeakPolarHBondContact CA-O 3.32Å; F14-Y30 WeakPolarHBondContact CB-O 3.4Å; I15-Y30 PolarHBondContact N-O 2.93Å; I15-Y30 PolarHBondContact O-N 2.97Å; H28-Y30 HydrophobicContact CB-CD2 4.08Å; H28-Y30 HydrophobicContact CB-CE1 4.42Å; H28-Y30 HydrophobicContact CB-CE2 3.47Å; H28-Y30 VanDerWaalsContact CB-CE2 3.47Å; H28-Y30 PolarHBondContact ND1-OH 2.86Å; Y30-A34 WeakPolarHBondContact CD1-O 3.46Å; Y30-R35 WeakPolarHBondContact CA-O 3.39Å; Y30-I36 HydrophobicContact CD1-CG1 4.13Å; Y30-I36 HydrophobicContact CE1-CD1 4.38Å; Y30-I36 HydrophobicContact CE1-CG1 3.55Å; Y30-S463 PolarHBondContact OH-OG 3.42Å; Y30-L464 HydrophobicContact CD1-CD1 4.06Å; Y30-L464 HydrophobicContact CE1-CD1 3.75Å; Y30-L464 PolarHBondContact OH-N 3.27Å; Y30-A467 HydrophobicContact CD2-CB 3.58Å; Y30-A467 HydrophobicContact CE2-CB 3.81Å; Y30-A467 HydrophobicContact CG-CB 4.36Å
31D96.9Very high95.6Very high8 Ų843.2 Ų43.24%0.04322%0.218CC..  trans-85.7-177168.166.118.8000112.7F14 E33 A34 R35 R37 W477F14-D31 HydrophobicContact CD1-CB 4.16Å; F14-D31 HydrophobicContact CE1-CB 4.16Å; D31-E33 PolarHBondContact O-N 3.38Å; D31-E33 WeakPolarHBondContact OD1-CA 3.45Å; D31-E33 PolarHBondContact OD1-N 3.37Å; D31-E33 VanDerWaalsContact OD1-N 3.09Å; D31-A34 PolarHBondContact O-N 3.02Å; D31-A34 PolarHBondContact OD1-N 3.49Å; D31-R35 PolarHBondContact N-O 3.46Å; D31-R35 VanDerWaalsContact N-O 3.13Å; D31-R35 WeakPolarHBondContact OD1-CB 3.28Å; D31-R35 PolarHBondContact OD1-N 3.38Å; D31-R37 HydrophobicContact CB-CG 3.87Å; D31-R37 WeakPolarHBondContact OD2-CD 3.33Å; D31-R37 IonicContact OD2-NH1 2.82Å; D31-W477 WeakPolarHBondContact O-CZ2 3.46Å
32K95.8Very high95.8Very high82 Ų8244.4 Ų44.436%0.35723%0.225SC..THydrogen-bonded Turntrans-62.3-30.4-179.4-75.1-70.6-177.4-166.70113.1A34 F476 W477K32-A34 PolarHBondContact O-N 3.46Å; K32-F476 HydrophobicContact CB-CZ 4.48Å; K32-F476 HydrophobicContact CD-CD1 4.02Å; K32-F476 HydrophobicContact CD-CD2 4.28Å; K32-F476 HydrophobicContact CD-CE1 3.62Å; K32-F476 HydrophobicContact CD-CE2 3.86Å; K32-F476 HydrophobicContact CD-CG 4.35Å; K32-F476 HydrophobicContact CD-CZ 3.52Å; K32-F476 VanDerWaalsContact CE-CE2 3.43Å; K32-F476 HydrophobicContact CG-CE1 4.19Å; K32-F476 HydrophobicContact CG-CE2 4.33Å; K32-F476 HydrophobicContact CG-CZ 3.79Å; K32-F476 VanDerWaalsContact NZ-C 3.35Å; K32-F476 VanDerWaalsContact NZ-CA 3.31Å; K32-F476 PolarHBondContact NZ-O 2.96Å; K32-W477 PolarHBondContact O-NE1 3.41Å
33E94.8Very high96.3Very high99 Ų9950.5 Ų50.546%0.46325%0.248SC..THydrogen-bonded Turntrans-83.88.9177.1-65.269-148.700112.5D31 R35D31-E33 PolarHBondContact O-N 3.38Å; D31-E33 WeakPolarHBondContact OD1-CA 3.45Å; D31-E33 PolarHBondContact OD1-N 3.37Å; D31-E33 VanDerWaalsContact OD1-N 3.09Å; E33-R35 HydrophobicContact CB-CG 4.01Å; E33-R35 PolarHBondContact O-N 3.44Å
34A94.6Very high96.6Very high3 Ų346.4 Ų46.43%0.02522%0.224CC..  trans59.724.7-176.100000114.1Y30 D31 K32 L464 F468 W477 L486Y30-A34 WeakPolarHBondContact CD1-O 3.46Å; D31-A34 PolarHBondContact O-N 3.02Å; D31-A34 PolarHBondContact OD1-N 3.49Å; K32-A34 PolarHBondContact O-N 3.46Å; A34-L464 HydrophobicContact CB-CD1 4.1Å; A34-F468 HydrophobicContact CB-CE1 3.8Å; A34-F468 HydrophobicContact CB-CZ 4.12Å; A34-W477 HydrophobicContact CB-CZ2 4.31Å; A34-L486 HydrophobicContact CB-CB 4.16Å; A34-L486 HydrophobicContact CB-CD1 3.98Å
35R94.2Very high96.4Very high152 Ų15250.2 Ų50.257%0.57425%0.246SC*.  trans-86.2144.6175.3-54.9170.1-178.3170.62.3109.7Y30 D31 E33 R37Y30-R35 WeakPolarHBondContact CA-O 3.39Å; D31-R35 PolarHBondContact N-O 3.46Å; D31-R35 VanDerWaalsContact N-O 3.13Å; D31-R35 WeakPolarHBondContact OD1-CB 3.28Å; D31-R35 PolarHBondContact OD1-N 3.38Å; E33-R35 HydrophobicContact CB-CG 4.01Å; E33-R35 PolarHBondContact O-N 3.44Å; R35-R37 PolarHBondContact O-N 2.84Å
36I95.8Very high96Very high59 Ų5952.2 Ų52.230%0.30326%0.259SS..EExtended strand (participates in β ladder)trans-76.4113.3175.5-62.3167.5000107.9H28 Y30 G38H28-I36 HydrophobicContact CB-CG1 4.42Å; H28-I36 HydrophobicContact CB-CG2 4.42Å; Y30-I36 HydrophobicContact CD1-CG1 4.13Å; Y30-I36 HydrophobicContact CE1-CD1 4.38Å; Y30-I36 HydrophobicContact CE1-CG1 3.55Å; I36-G38 WeakPolarHBondContact CG2-O 3.49Å
37R97.4Very high96Very high102 Ų10252.4 Ų52.439%0.38526%0.264SS..EExtended strand (participates in β ladder)trans-89.3-27.4176.5-66.3-62.8-64.7-89.9-7.5112.9E12 F14 V29 D31 R35 A76E12-R37 IonicContact OE1-CZ 3.11Å; E12-R37 IonicContact OE1-NH1 2.8Å; E12-R37 PolarHBondContact OE1-NH1 3.42Å; E12-R37 IonicContact OE1-NH2 2.79Å; F14-R37 HydrophobicContact CD1-CG 4.31Å; F14-R37 HydrophobicContact CE1-CG 3.98Å; V29-R37 HydrophobicContact CG1-CB 4.43Å; V29-R37 PolarHBondContact O-N 2.78Å; D31-R37 HydrophobicContact CB-CG 3.87Å; D31-R37 WeakPolarHBondContact OD2-CD 3.33Å; D31-R37 IonicContact OD2-NH1 2.82Å; R35-R37 PolarHBondContact O-N 2.84Å; R37-A76 HydrophobicContact CB-CB 4.23Å; R37-A76 WeakPolarHBondContact O-CA 3.41Å
38G97.8Very high95.7Very high2 Ų259.7 Ų59.72%0.02129%0.292CS..EExtended strand (participates in β ladder)trans-157.8154171.300000110.6H28 V29 I36 D75H28-G38 WeakPolarHBondContact CA-O 3.45Å; V29-G38 PolarHBondContact N-O 3.49Å; I36-G38 WeakPolarHBondContact CG2-O 3.49Å; G38-D75 VanDerWaalsContact CA-OD2 3.24Å; G38-D75 WeakPolarHBondContact CA-OD2 3.27Å
39S98.1Very high95.4Very high52 Ų5262.7 Ų62.736%0.36431%0.313SS..EExtended strand (participates in β ladder)trans-143.6147.7-174.669.10000111.2C27 D75C27-S39 VanDerWaalsContact O-CA 3.3Å; C27-S39 WeakPolarHBondContact O-CA 3.35Å; S39-D75 PolarHBondContact N-OD2 3.33Å
40C98.4Very high95Very high31 Ų3168.8 Ų68.821%0.20934%0.341CS..EExtended strand (participates in β ladder)trans-147.3143.2168.2-170.70000109.7R26 C27 V68 A72R26-C40 CarbonylContact C-O 3.58Å; R26-C40 WeakPolarHBondContact CA-O 3.04Å; C27-C40 PolarHBondContact N-O 3.03Å; C27-C40 PolarHBondContact O-N 3.24Å; C40-V68 HydrophobicContact CB-CB 4.23Å; C40-V68 WeakPolarHBondContact CB-O 3.19Å; C40-A72 HydrophobicContact CB-CB 4.08Å; C40-A72 VanDerWaalsContact CB-N 3.34Å
41T97.7Very high94.2Very high86 Ų8675.8 Ų75.853%0.52838%0.384SS..EExtended strand (participates in β ladder)trans-130.5136.3-178-580000109.3I25 R26I25-T41 CarbonylContact O-C 3.56Å; I25-T41 WeakPolarHBondContact O-CA 3.47Å; R26-T41 HydrophobicContact CG-CG2 3.61Å; R26-T41 WeakPolarHBondContact CG-OG1 3.39Å
42S97.1Very high93.5Very high35 Ų3577 Ų7725%0.24540%0.398CS..EExtended strand (participates in β ladder)trans-123.2146.9169.2-174.60000109.5S24 I25 V68S24-S42 CarbonylContact C-O 3.58Å; S24-S42 VanDerWaalsContact CA-O 3.23Å; S24-S42 WeakPolarHBondContact CA-O 3.34Å; S24-S42 WeakPolarHBondContact CB-O 3.32Å; I25-S42 PolarHBondContact N-O 3.45Å; I25-S42 PolarHBondContact O-N 3.19Å; S42-V68 VanDerWaalsContact N-CG1 3.33Å
43K95.4Very high93.3Very high164 Ų16474.1 Ų74.171%0.71339%0.386SS*.EExtended strand (participates in β ladder)trans-79.1136.3180-173.3177.8178.1-175.70109.9
44V92.8Very high93.1Very high11 Ų1170 Ų707%0.06737%0.368CS..  trans-86.1125.5165.61740000108.1T22 T23 I25 P46 M56T22-V44 WeakPolarHBondContact O-CG1 3.4Å; T23-V44 PolarHBondContact O-N 3.23Å; I25-V44 HydrophobicContact CD1-CG2 4.25Å; I25-V44 HydrophobicContact CG1-CG2 3.52Å; V44-P46 WeakPolarHBondContact O-CD 3.49Å; V44-M56 HydrophobicContact CG1-CE 3.45Å; V44-M56 VanDerWaalsContact CG1-CE 3.45Å; V44-M56 HydrophobicContact CG1-CG 4.29Å; V44-M56 HydrophobicContact CG1-SD 4.07Å; V44-M56 HydrophobicContact CG2-CE 4.49Å
45V90.8Very high93.3Very high96 Ų9670.7 Ų70.758%0.58237%0.37SS*.  trans-100.3106.8176.9-177.10000108.3
46P88.9Confident93.4Very high44 Ų4463.7 Ų63.729%0.28635%0.345SS..  trans-69.7143.3173.228.9-33.5000110.3V44 Y48 V54V44-P46 WeakPolarHBondContact O-CD 3.49Å; P46-Y48 HydrophobicContact CB-CE2 3.95Å; P46-Y48 HydrophobicContact CG-CE2 3.75Å; P46-Y48 WeakPolarHBondContact CG-OH 3.42Å; P46-V54 HydrophobicContact CB-CG1 4.4Å
47L95.6Very high93.5Very high61 Ų6164 Ų6432%0.31935%0.346SS..BIsolated β-bridgetrans-102.7137.4173.9-57.4178.4000109.2P49 V54 E55 D57L47-P49 WeakPolarHBondContact O-CD 3.44Å; L47-V54 WeakPolarHBondContact O-CA 3.44Å; L47-E55 HydrophobicContact CB-CB 4.04Å; L47-E55 PolarHBondContact N-O 2.84Å; L47-E55 PolarHBondContact O-N 2.77Å; L47-D57 HydrophobicContact CD1-CB 4.16Å
48Y92.1Very high93.5Very high152 Ų15259.4 Ų59.460%0.59633%0.33SS*.  trans-123.574.6179.4-58.1-78.6000109.5P46 E50 H53 V54P46-Y48 HydrophobicContact CB-CE2 3.95Å; P46-Y48 HydrophobicContact CG-CE2 3.75Å; P46-Y48 WeakPolarHBondContact CG-OH 3.42Å; Y48-E50 VanDerWaalsContact C-N 3.29Å; Y48-E50 PolarHBondContact O-N 3.32Å; Y48-H53 WeakPolarHBondContact CD1-O 3.39Å; Y48-V54 HydrophobicContact CD1-CG2 4.14Å; Y48-V54 HydrophobicContact CE1-CB 4.47Å; Y48-V54 HydrophobicContact CE1-CG1 4.08Å; Y48-V54 HydrophobicContact CE1-CG2 3.9Å
49P93.2Very high93.5Very high73 Ų7363.6 Ų63.647%0.47435%0.352SS..SBendtrans-66-33.9-175.525.8-33.3000112.2L47 H53 E55L47-P49 WeakPolarHBondContact O-CD 3.44Å; P49-H53 HydrophobicContact CG-CB 3.8Å; P49-E55 HydrophobicContact CG-CG 4.24Å
50E89.3Confident93.5Very high128 Ų12863.7 Ų63.760%0.59836%0.356SS*.SBendtrans-143166.7178-63.5-177.2-177.500110.4Y48 G52 H53Y48-E50 VanDerWaalsContact C-N 3.29Å; Y48-E50 PolarHBondContact O-N 3.32Å; E50-G52 PolarHBondContact O-N 2.98Å; E50-H53 HydrophobicContact CB-CB 4.26Å; E50-H53 WeakPolarHBondContact O-CB 3.37Å; E50-H53 PolarHBondContact O-N 2.99Å; E50-H53 IonicContact OE2-CE1 3.21Å; E50-H53 PolarHBondContact OE2-CE1 2.72Å; E50-H53 VanDerWaalsContact OE2-CE1 3.25Å; E50-H53 IonicContact OE2-ND1 2.75Å; E50-H53 IonicContact OE2-NE2 2.84Å
51V82.4Confident93.4Very high152 Ų15262.6 Ų62.692%0.92135%0.348SS*.THydrogen-bonded Turntrans-60.2125.4177.6177.30000110.1H53V51-H53 PolarHBondContact O-N 2.56Å
52G80.8Confident93.5Very high33 Ų3360.7 Ų60.734%0.3433%0.331SS..THydrogen-bonded Turntrans80.3-7-177.900000114.5E50 Q115E50-G52 PolarHBondContact O-N 2.98Å; G52-Q115 PolarHBondContact O-N 2.78Å
53H91.4Very high93.5Very high21 Ų2165.2 Ų65.210%0.09735%0.349CS..  trans-87.7132174.6-68.4-158.7000109.5Y48 P49 E50 V51 D114 R116Y48-H53 WeakPolarHBondContact CD1-O 3.39Å; P49-H53 HydrophobicContact CG-CB 3.8Å; E50-H53 HydrophobicContact CB-CB 4.26Å; E50-H53 WeakPolarHBondContact O-CB 3.37Å; E50-H53 PolarHBondContact O-N 2.99Å; E50-H53 IonicContact OE2-CE1 3.21Å; E50-H53 PolarHBondContact OE2-CE1 2.72Å; E50-H53 VanDerWaalsContact OE2-CE1 3.25Å; E50-H53 IonicContact OE2-ND1 2.75Å; E50-H53 IonicContact OE2-NE2 2.84Å; V51-H53 PolarHBondContact O-N 2.56Å; H53-D114 VanDerWaalsContact CA-OD2 3.27Å; H53-D114 WeakPolarHBondContact CA-OD2 3.4Å; H53-R116 VanDerWaalsContact CD2-CB 3.49Å; H53-R116 WeakPolarHBondContact CD2-CB 3.26Å; H53-R116 WeakPolarHBondContact NE2-CB 3.36Å
54V92.5Very high93.7Very high14 Ų1457.7 Ų57.79%0.08532%0.317CS..  trans-133.7110.6179.6-171.50000108.2P46 L47 Y48 S111 Q113 D114P46-V54 HydrophobicContact CB-CG1 4.4Å; L47-V54 WeakPolarHBondContact O-CA 3.44Å; Y48-V54 HydrophobicContact CD1-CG2 4.14Å; Y48-V54 HydrophobicContact CE1-CB 4.47Å; Y48-V54 HydrophobicContact CE1-CG1 4.08Å; Y48-V54 HydrophobicContact CE1-CG2 3.9Å; V54-S111 WeakPolarHBondContact O-CB 3.47Å; V54-S111 PolarHBondContact O-N 3.48Å; V54-Q113 HydrophobicContact CB-CB 4.42Å; V54-Q113 HydrophobicContact CG1-CB 4.46Å; V54-Q113 HydrophobicContact CG2-CB 4.23Å; V54-D114 HydrophobicContact CB-CB 4.37Å; V54-D114 PolarHBondContact N-OD2 3.41Å
55E97.1Very high93.9Very high16 Ų1657.2 Ų57.28%0.07531%0.314CS..EExtended strand (participates in β ladder)trans-121.8163.7-175-67.3-175.2-176.800112.2L47 P49 N108 F109 R116L47-E55 HydrophobicContact CB-CB 4.04Å; L47-E55 PolarHBondContact N-O 2.84Å; L47-E55 PolarHBondContact O-N 2.77Å; P49-E55 HydrophobicContact CG-CG 4.24Å; E55-N108 HydrophobicContact CB-CB 3.93Å; E55-N108 HydrophobicContact CG-CB 4.31Å; E55-N108 WeakPolarHBondContact OE2-CB 3.36Å; E55-N108 PolarHBondContact OE2-ND2 3.23Å; E55-F109 CarbonylContact C-O 3.48Å; E55-F109 WeakPolarHBondContact CA-O 3.45Å; E55-R116 IonicContact OE1-CZ 2.97Å; E55-R116 VanDerWaalsContact OE1-CZ 3.3Å; E55-R116 IonicContact OE1-NH1 2.71Å; E55-R116 PolarHBondContact OE1-NH1 3.2Å; E55-R116 IonicContact OE1-NH2 3.29Å; E55-R116 PolarHBondContact OE1-NH2 3.04Å
56M97.3Very high94.3Very high6 Ų653.8 Ų53.83%0.0329%0.292CS..EExtended strand (participates in β ladder)trans-136.7132.4171.1-59.3165.348.800109.6V44 P58 L61 Q91 T94 N108 F109 I190V44-M56 HydrophobicContact CG1-CE 3.45Å; V44-M56 VanDerWaalsContact CG1-CE 3.45Å; V44-M56 HydrophobicContact CG1-CG 4.29Å; V44-M56 HydrophobicContact CG1-SD 4.07Å; V44-M56 HydrophobicContact CG2-CE 4.49Å; M56-P58 WeakPolarHBondContact O-CD 3.43Å; M56-L61 HydrophobicContact CE-CD1 3.45Å; M56-L61 VanDerWaalsContact CE-CD1 3.45Å; M56-Q91 PolarHBondContact SD-NE2 3Å; M56-T94 HydrophobicContact SD-CG2 4.25Å; M56-N108 WeakPolarHBondContact O-CB 3.4Å; M56-F109 HydrophobicContact CB-CB 4.03Å; M56-F109 PolarHBondContact N-O 3.12Å; M56-F109 WeakPolarHBondContact O-CB 3.41Å; M56-F109 PolarHBondContact O-N 3.43Å; M56-I190 HydrophobicContact CE-CD1 4.48Å
57D97.8Very high94.8Very high64 Ų6455.5 Ų55.534%0.34230%0.302SS..  trans-66.9121.1176.2-177.3-21.7000110.1L47 D59 A60 L61L47-D57 HydrophobicContact CD1-CB 4.16Å; D57-D59 VanDerWaalsContact C-N 3.34Å; D57-D59 PolarHBondContact O-N 3.37Å; D57-D59 PolarHBondContact OD1-N 3.28Å; D57-A60 HydrophobicContact CB-CB 3.84Å; D57-A60 PolarHBondContact OD1-N 3.09Å; D57-L61 WeakPolarHBondContact O-CB 3.29Å; D57-L61 PolarHBondContact O-N 3.33Å
58P97.8Very high94.9Very high7 Ų752.6 Ų52.65%0.04529%0.287CS..Hα-helixtrans-60.4-38.8178.1-23.134.6000113.7M56 L61 W62 P105 N108 F109 W193M56-P58 WeakPolarHBondContact O-CD 3.43Å; P58-L61 PolarHBondContact O-N 2.9Å; P58-W62 WeakPolarHBondContact O-CB 3.3Å; P58-W62 PolarHBondContact O-N 2.76Å; P58-P105 HydrophobicContact CB-CB 4.49Å; P58-P105 HydrophobicContact CB-CG 3.78Å; P58-P105 HydrophobicContact CG-CB 4.02Å; P58-P105 HydrophobicContact CG-CG 3.87Å; P58-N108 WeakPolarHBondContact CD-OD1 3.3Å; P58-F109 HydrophobicContact CB-CD2 4.01Å; P58-F109 HydrophobicContact CB-CE2 3.77Å; P58-F109 HydrophobicContact CG-CD2 3.85Å; P58-F109 HydrophobicContact CG-CE2 4.07Å; P58-W193 HydrophobicContact CB-CH2 4.03Å; P58-W193 HydrophobicContact CB-CZ2 3.79Å; P58-W193 WeakPolarHBondContact O-CH2 3.32Å
59D97Very high95.2Very high90 Ų9045.4 Ų45.448%0.48126%0.259SS..Hα-helixtrans-71.6-43-177.9-73-29.9000110.4D57 L61 W62 E63D57-D59 VanDerWaalsContact C-N 3.34Å; D57-D59 PolarHBondContact O-N 3.37Å; D57-D59 PolarHBondContact OD1-N 3.28Å; D59-L61 VanDerWaalsContact C-N 3.3Å; D59-L61 PolarHBondContact O-N 3.41Å; D59-W62 PolarHBondContact O-N 3.25Å; D59-W62 VanDerWaalsContact O-N 3.14Å; D59-E63 WeakPolarHBondContact O-CG 3.43Å; D59-E63 PolarHBondContact O-N 3.1Å
60A97.8Very high95.5Very high53 Ų5347 Ų4744%0.43826%0.258SS..Hα-helixtrans-61-38.8173.200000112.2D57 G64D57-A60 HydrophobicContact CB-CB 3.84Å; D57-A60 PolarHBondContact OD1-N 3.09Å; A60-G64 PolarHBondContact O-N 3.3Å
61L97.8Very high95.9Very high9 Ų941.8 Ų41.85%0.04724%0.238CC..Hα-helixtrans-64-41.6174.7-178.7141.2000111.6V20 I25 M56 D57 P58 D59 F65 F109 I190 W193 L194V20-L61 HydrophobicContact CG1-CD1 3.95Å; V20-L61 HydrophobicContact CG1-CG 4.45Å; I25-L61 HydrophobicContact CD1-CG 4.17Å; I25-L61 WeakPolarHBondContact CD1-O 3.24Å; M56-L61 HydrophobicContact CE-CD1 3.45Å; M56-L61 VanDerWaalsContact CE-CD1 3.45Å; D57-L61 WeakPolarHBondContact O-CB 3.29Å; D57-L61 PolarHBondContact O-N 3.33Å; P58-L61 PolarHBondContact O-N 2.9Å; D59-L61 VanDerWaalsContact C-N 3.3Å; D59-L61 PolarHBondContact O-N 3.41Å; L61-F65 WeakPolarHBondContact O-CB 3.46Å; L61-F65 PolarHBondContact O-N 3.26Å; L61-F109 HydrophobicContact CD2-CE2 4.39Å; L61-I190 HydrophobicContact CD1-CD1 4.2Å; L61-I190 HydrophobicContact CD1-CG2 4.32Å; L61-I190 HydrophobicContact CD2-CG2 4.31Å; L61-W193 HydrophobicContact CD2-CE3 4.15Å; L61-W193 HydrophobicContact CD2-CZ3 3.7Å; L61-L194 HydrophobicContact CD2-CD2 4.01Å
62W98Very high96.7Very high45 Ų4534.5 Ų34.517%0.1719%0.194CC..Hα-helixtrans-66.9-46.5177.2176.1-111.4000113P58 D59 G64 F65 I66 W193 L194 K197 L198 I256P58-W62 WeakPolarHBondContact O-CB 3.3Å; P58-W62 PolarHBondContact O-N 2.76Å; D59-W62 PolarHBondContact O-N 3.25Å; D59-W62 VanDerWaalsContact O-N 3.14Å; W62-G64 VanDerWaalsContact C-N 3.3Å; W62-G64 PolarHBondContact O-N 3.32Å; W62-F65 HydrophobicContact CZ3-CD1 4.32Å; W62-F65 WeakPolarHBondContact O-CB 3.3Å; W62-F65 PolarHBondContact O-N 3.42Å; W62-I66 HydrophobicContact CD2-CG1 4.16Å; W62-I66 HydrophobicContact CH2-CD1 3.83Å; W62-I66 HydrophobicContact CH2-CG1 4.36Å; W62-I66 HydrophobicContact CZ2-CD1 3.72Å; W62-I66 HydrophobicContact CZ2-CG1 3.92Å; W62-I66 HydrophobicContact CZ3-CD1 4.33Å; W62-I66 WeakPolarHBondContact O-CG1 3.41Å; W62-I66 PolarHBondContact O-N 3.13Å; W62-W193 HydrophobicContact CB-CH2 3.73Å; W62-W193 HydrophobicContact CB-CZ3 4.06Å; W62-W193 HydrophobicContact CE3-CZ3 4.42Å; W62-W193 HydrophobicContact CG-CH2 4.47Å; W62-L194 HydrophobicContact CE3-CD2 4.04Å; W62-L194 HydrophobicContact CZ3-CD2 4.24Å; W62-K197 HydrophobicContact CE3-CB 3.95Å; W62-K197 HydrophobicContact CE3-CG 4.47Å; W62-K197 HydrophobicContact CH2-CB 3.89Å; W62-K197 HydrophobicContact CZ2-CB 4.48Å; W62-K197 HydrophobicContact CZ3-CB 3.61Å; W62-L198 HydrophobicContact CH2-CD2 3.76Å; W62-L198 HydrophobicContact CH2-CG 4.11Å; W62-L198 HydrophobicContact CZ3-CD2 3.99Å; W62-L198 HydrophobicContact CZ3-CG 4.03Å; W62-I256 HydrophobicContact CH2-CD1 4.19Å; W62-I256 HydrophobicContact CH2-CG2 4.05Å; W62-I256 HydrophobicContact CZ2-CD1 4.31Å; W62-I256 HydrophobicContact CZ2-CG2 3.93Å
63E98.1Very high97.5Very high131 Ų13133.4 Ų33.461%0.61218%0.181SC*.Hα-helixtrans-59.1-44.2174.6-72.1-178.917200111.1D59 I66 T67D59-E63 WeakPolarHBondContact O-CG 3.43Å; D59-E63 PolarHBondContact O-N 3.1Å; E63-I66 PolarHBondContact O-N 2.82Å; E63-T67 VanDerWaalsContact O-CB 3.27Å; E63-T67 WeakPolarHBondContact O-CB 3.41Å; E63-T67 PolarHBondContact O-N 3Å; E63-T67 PolarHBondContact O-OG1 2.86Å
64G98.4Very high97.8Very high5 Ų539.8 Ų39.85%0.05221%0.211CC..Hα-helixtrans-59.3-46173.900000112.2A60 W62 T67 V68A60-G64 PolarHBondContact O-N 3.3Å; W62-G64 VanDerWaalsContact C-N 3.3Å; W62-G64 PolarHBondContact O-N 3.32Å; G64-T67 PolarHBondContact O-N 2.81Å; G64-V68 WeakPolarHBondContact O-CG1 3.38Å; G64-V68 WeakPolarHBondContact O-CG2 3.25Å; G64-V68 PolarHBondContact O-N 2.94Å
65F98.5Very high98.1Very high1 Ų143.9 Ų43.90%0.00423%0.232CC..Hα-helixtrans-57.7-51.1176.3-176.4-81.1000111.8V18 V20 L61 W62 T67 V68 V69 L86 I88 L194 L198V18-F65 HydrophobicContact CB-CD2 4.41Å; V18-F65 HydrophobicContact CB-CE2 3.74Å; V18-F65 HydrophobicContact CB-CZ 4.22Å; V18-F65 HydrophobicContact CG1-CD2 3.68Å; V18-F65 HydrophobicContact CG1-CE2 3.51Å; V18-F65 HydrophobicContact CG1-CZ 4.34Å; V18-F65 HydrophobicContact CG2-CE2 3.9Å; V18-F65 HydrophobicContact CG2-CZ 3.9Å; V20-F65 HydrophobicContact CG2-CD2 4.17Å; L61-F65 WeakPolarHBondContact O-CB 3.46Å; L61-F65 PolarHBondContact O-N 3.26Å; W62-F65 HydrophobicContact CZ3-CD1 4.32Å; W62-F65 WeakPolarHBondContact O-CB 3.3Å; W62-F65 PolarHBondContact O-N 3.42Å; F65-T67 VanDerWaalsContact C-N 3.32Å; F65-T67 PolarHBondContact O-N 3.32Å; F65-V68 VanDerWaalsContact O-CG2 3.24Å; F65-V68 WeakPolarHBondContact O-CG2 3.29Å; F65-V68 PolarHBondContact O-N 2.95Å; F65-V69 HydrophobicContact CD1-CG2 4.11Å; F65-V69 HydrophobicContact CE1-CG2 3.75Å; F65-V69 HydrophobicContact CZ-CG2 4.17Å; F65-V69 VanDerWaalsContact O-CG2 3.32Å; F65-V69 WeakPolarHBondContact O-CG2 3.5Å; F65-V69 PolarHBondContact O-N 2.95Å; F65-V69 VanDerWaalsContact O-N 3.07Å; F65-L86 HydrophobicContact CZ-CD2 4.45Å; F65-I88 HydrophobicContact CE2-CD1 4.46Å; F65-I88 HydrophobicContact CZ-CD1 4.26Å; F65-L194 HydrophobicContact CB-CD2 4.42Å; F65-L194 HydrophobicContact CD2-CD1 3.86Å; F65-L194 HydrophobicContact CD2-CD2 3.81Å; F65-L194 HydrophobicContact CD2-CG 4.49Å; F65-L194 HydrophobicContact CE2-CD1 3.86Å; F65-L194 HydrophobicContact CE2-CD2 4.21Å; F65-L194 HydrophobicContact CG-CD2 4.02Å; F65-L198 HydrophobicContact CE1-CD1 4.17Å; F65-L198 HydrophobicContact CE1-CD2 3.91Å; F65-L198 HydrophobicContact CE1-CG 4.49Å; F65-L198 HydrophobicContact CZ-CD1 3.98Å
66I98.4Very high98.2Very high24 Ų2443.8 Ų43.812%0.12323%0.234CC..Hα-helixtrans-64.6-39.4-179.9-64.2-60.9000111.4W62 E63 V69 K70 I256 L257W62-I66 HydrophobicContact CD2-CG1 4.16Å; W62-I66 HydrophobicContact CH2-CD1 3.83Å; W62-I66 HydrophobicContact CH2-CG1 4.36Å; W62-I66 HydrophobicContact CZ2-CD1 3.72Å; W62-I66 HydrophobicContact CZ2-CG1 3.92Å; W62-I66 HydrophobicContact CZ3-CD1 4.33Å; W62-I66 WeakPolarHBondContact O-CG1 3.41Å; W62-I66 PolarHBondContact O-N 3.13Å; E63-I66 PolarHBondContact O-N 2.82Å; I66-V69 PolarHBondContact O-N 2.99Å; I66-K70 HydrophobicContact CG2-CD 4.02Å; I66-K70 HydrophobicContact CG2-CG 4.5Å; I66-K70 WeakPolarHBondContact O-CG 3.24Å; I66-K70 PolarHBondContact O-N 3.48Å; I66-I256 HydrophobicContact CD1-CG2 3.45Å; I66-I256 VanDerWaalsContact CD1-CG2 3.45Å; I66-L257 HydrophobicContact CD1-CD2 4.28Å
67T98.6Very high98.2Very high80 Ų8046.9 Ų46.949%0.49127%0.267SS..Hα-helixtrans-59.5-49.9177.6-62.70000110.9E63 G64 F65 V69 K70 G71E63-T67 VanDerWaalsContact O-CB 3.27Å; E63-T67 WeakPolarHBondContact O-CB 3.41Å; E63-T67 PolarHBondContact O-N 3Å; E63-T67 PolarHBondContact O-OG1 2.86Å; G64-T67 PolarHBondContact O-N 2.81Å; F65-T67 VanDerWaalsContact C-N 3.32Å; F65-T67 PolarHBondContact O-N 3.32Å; T67-V69 PolarHBondContact O-N 2.79Å; T67-K70 PolarHBondContact O-N 2.9Å; T67-G71 PolarHBondContact O-N 2.86Å
68V98.7Very high98.2Very high0 Ų044.9 Ų44.90%026%0.258CS..Hα-helixtrans-69.6-35.6-178-60.60000112.5V18 I25 C27 C40 S42 G64 F65 G71 A72V18-V68 HydrophobicContact CG1-CG2 4.26Å; I25-V68 HydrophobicContact CB-CG2 4.46Å; I25-V68 HydrophobicContact CG2-CG2 3.68Å; C27-V68 HydrophobicContact CB-CB 3.8Å; C27-V68 HydrophobicContact CB-CG2 3.73Å; C27-V68 WeakPolarHBondContact CB-O 3.06Å; C40-V68 HydrophobicContact CB-CB 4.23Å; C40-V68 WeakPolarHBondContact CB-O 3.19Å; S42-V68 VanDerWaalsContact N-CG1 3.33Å; G64-V68 WeakPolarHBondContact O-CG1 3.38Å; G64-V68 WeakPolarHBondContact O-CG2 3.25Å; G64-V68 PolarHBondContact O-N 2.94Å; F65-V68 VanDerWaalsContact O-CG2 3.24Å; F65-V68 WeakPolarHBondContact O-CG2 3.29Å; F65-V68 PolarHBondContact O-N 2.95Å; V68-G71 PolarHBondContact O-N 2.82Å; V68-A72 VanDerWaalsContact O-CB 3.3Å; V68-A72 WeakPolarHBondContact O-CB 3.35Å; V68-A72 PolarHBondContact O-N 3.18Å
69V98.6Very high98.1Very high1 Ų150.6 Ų50.61%0.00628%0.284CS..Hα-helixtrans-62.1-50.3177165.30000111L16 V18 F65 I66 T67 V73 M80 L257L16-V69 HydrophobicContact CD2-CG1 3.72Å; V18-V69 HydrophobicContact CG2-CG2 3.43Å; V18-V69 VanDerWaalsContact CG2-CG2 3.43Å; F65-V69 HydrophobicContact CD1-CG2 4.11Å; F65-V69 HydrophobicContact CE1-CG2 3.75Å; F65-V69 HydrophobicContact CZ-CG2 4.17Å; F65-V69 VanDerWaalsContact O-CG2 3.32Å; F65-V69 WeakPolarHBondContact O-CG2 3.5Å; F65-V69 PolarHBondContact O-N 2.95Å; F65-V69 VanDerWaalsContact O-N 3.07Å; I66-V69 PolarHBondContact O-N 2.99Å; T67-V69 PolarHBondContact O-N 2.79Å; V69-V73 WeakPolarHBondContact O-CG2 3.41Å; V69-V73 PolarHBondContact O-N 2.7Å; V69-M80 HydrophobicContact CG1-CE 3.67Å; V69-L257 HydrophobicContact CG1-CD1 4.26Å; V69-L257 HydrophobicContact CG1-CD2 3.79Å
70K98.4Very high98.2Very high108 Ų10847.4 Ų47.447%0.4727%0.266SS..Hα-helixtrans-67.6-41.3178.8-69.6-179.4178.41770111.3I66 T67 V73 Q74I66-K70 HydrophobicContact CG2-CD 4.02Å; I66-K70 HydrophobicContact CG2-CG 4.5Å; I66-K70 WeakPolarHBondContact O-CG 3.24Å; I66-K70 PolarHBondContact O-N 3.48Å; T67-K70 PolarHBondContact O-N 2.9Å; K70-V73 PolarHBondContact O-N 3.15Å; K70-Q74 WeakPolarHBondContact O-CB 3.32Å; K70-Q74 PolarHBondContact O-N 3.42Å
71G98.7Very high98.1Very high17 Ų1747.7 Ų47.718%0.17526%0.264CS..Hα-helixtrans-61.7-44.4179.200000112.9T67 V68 V73 Q74 D75T67-G71 PolarHBondContact O-N 2.86Å; V68-G71 PolarHBondContact O-N 2.82Å; G71-V73 PolarHBondContact O-N 3.48Å; G71-Q74 PolarHBondContact O-N 2.98Å; G71-D75 VanDerWaalsContact O-CB 3.28Å; G71-D75 WeakPolarHBondContact O-CB 3.48Å; G71-D75 PolarHBondContact O-N 3.34Å
72A98.7Very high98.1Very high0 Ų048.7 Ų48.70%027%0.269CS..Hα-helixtrans-67.6-37.7-17900000112.4C27 V29 C40 V68 A76C27-A72 HydrophobicContact CB-CB 3.85Å; C27-A72 WeakPolarHBondContact O-CB 3.48Å; V29-A72 HydrophobicContact CG2-CB 4.25Å; C40-A72 HydrophobicContact CB-CB 4.08Å; C40-A72 VanDerWaalsContact CB-N 3.34Å; V68-A72 VanDerWaalsContact O-CB 3.3Å; V68-A72 WeakPolarHBondContact O-CB 3.35Å; V68-A72 PolarHBondContact O-N 3.18Å; A72-A76 WeakPolarHBondContact O-CB 3.49Å; A72-A76 PolarHBondContact O-N 2.88Å
73V98.4Very high98.1Very high9 Ų947.1 Ų47.16%0.05526%0.263CS..Hα-helixtrans-67.6-40.51751720000111.4L16 V29 V69 K70 G71 A76 G77 V78 M80 M83L16-V73 HydrophobicContact CD1-CG2 3.84Å; V29-V73 HydrophobicContact CG2-CG2 4.02Å; V69-V73 WeakPolarHBondContact O-CG2 3.41Å; V69-V73 PolarHBondContact O-N 2.7Å; K70-V73 PolarHBondContact O-N 3.15Å; G71-V73 PolarHBondContact O-N 3.48Å; V73-A76 PolarHBondContact O-N 3.46Å; V73-G77 PolarHBondContact O-N 3.5Å; V73-V78 HydrophobicContact CG1-CG2 4.13Å; V73-V78 VanDerWaalsContact CG1-O 3.27Å; V73-V78 WeakPolarHBondContact CG1-O 3.44Å; V73-V78 PolarHBondContact O-N 3.45Å; V73-M80 HydrophobicContact CB-CE 4.21Å; V73-M80 HydrophobicContact CG1-CE 4.42Å; V73-M80 HydrophobicContact CG2-CE 3.7Å; V73-M80 HydrophobicContact CG2-SD 4.05Å; V73-M83 HydrophobicContact CG2-CG 4.49Å; V73-M83 HydrophobicContact CG2-SD 4.29Å
74Q98.3Very high98.1Very high156 Ų15645.1 Ų45.173%0.72925%0.254SS*.Hα-helixtrans-64.7-46.3174.8-178.8179.2-200111.9K70 G71 A76 G77K70-Q74 WeakPolarHBondContact O-CB 3.32Å; K70-Q74 PolarHBondContact O-N 3.42Å; G71-Q74 PolarHBondContact O-N 2.98Å; Q74-A76 VanDerWaalsContact C-N 3.25Å; Q74-A76 PolarHBondContact O-N 2.84Å; Q74-G77 PolarHBondContact O-N 3.05Å
75D98.6Very high98.1Very high99 Ų9944.9 Ų44.953%0.52925%0.251SS..Hα-helixtrans-59.2-37.4177.2-174.859.5000111.6G38 S39 G71 G77G38-D75 VanDerWaalsContact CA-OD2 3.24Å; G38-D75 WeakPolarHBondContact CA-OD2 3.27Å; S39-D75 PolarHBondContact N-OD2 3.33Å; G71-D75 VanDerWaalsContact O-CB 3.28Å; G71-D75 WeakPolarHBondContact O-CB 3.48Å; G71-D75 PolarHBondContact O-N 3.34Å; D75-G77 PolarHBondContact O-N 3.48Å
76A98Very high98.1Very high15 Ų1544.9 Ų44.912%0.12425%0.252CS..THydrogen-bonded Turntrans-68.8-15174.200000114.4V29 R37 A72 V73 Q74 V78V29-A76 HydrophobicContact CB-CB 4.11Å; V29-A76 HydrophobicContact CG1-CB 4.21Å; V29-A76 HydrophobicContact CG2-CB 4.15Å; R37-A76 HydrophobicContact CB-CB 4.23Å; R37-A76 WeakPolarHBondContact O-CA 3.41Å; A72-A76 WeakPolarHBondContact O-CB 3.49Å; A72-A76 PolarHBondContact O-N 2.88Å; V73-A76 PolarHBondContact O-N 3.46Å; Q74-A76 VanDerWaalsContact C-N 3.25Å; Q74-A76 PolarHBondContact O-N 2.84Å; A76-V78 VanDerWaalsContact C-N 3.28Å; A76-V78 HydrophobicContact CB-CG1 4.31Å; A76-V78 HydrophobicContact CB-CG2 3.8Å; A76-V78 PolarHBondContact O-N 3.07Å
77G97.5Very high98.1Very high70 Ų7043.7 Ų43.772%0.72225%0.246SC*.THydrogen-bonded Turntrans67.726.3-174.900000113.7V73 Q74 D75V73-G77 PolarHBondContact O-N 3.5Å; Q74-G77 PolarHBondContact O-N 3.05Å; D75-G77 PolarHBondContact O-N 3.48Å
78V97.4Very high98.1Very high23 Ų2339.9 Ų39.914%0.13922%0.222CC..  trans-119.6170.7-176.8-55.50000111.4F14 V29 V73 A76 M83F14-V78 HydrophobicContact CD2-CB 4.46Å; F14-V78 HydrophobicContact CD2-CG1 4.29Å; F14-V78 HydrophobicContact CD2-CG2 4.35Å; F14-V78 HydrophobicContact CE2-CB 4.09Å; F14-V78 HydrophobicContact CE2-CG1 3.56Å; F14-V78 HydrophobicContact CE2-CG2 4.42Å; F14-V78 HydrophobicContact CZ-CG1 3.8Å; V29-V78 HydrophobicContact CG1-CG2 4.43Å; V73-V78 HydrophobicContact CG1-CG2 4.13Å; V73-V78 VanDerWaalsContact CG1-O 3.27Å; V73-V78 WeakPolarHBondContact CG1-O 3.44Å; V73-V78 PolarHBondContact O-N 3.45Å; A76-V78 VanDerWaalsContact C-N 3.28Å; A76-V78 HydrophobicContact CB-CG1 4.31Å; A76-V78 HydrophobicContact CB-CG2 3.8Å; A76-V78 PolarHBondContact O-N 3.07Å; V78-M83 HydrophobicContact CG2-CE 3.65Å
79Q96.9Very high98.1Very high127 Ų12739.9 Ų39.959%0.59322%0.222SC*.  trans-99.4148.3178.2-60.3-177.317.200111.6C81 Q82Q79-C81 PolarHBondContact O-N 3.39Å; Q79-C81 VanDerWaalsContact O-N 3.1Å; Q79-C81 PolarHBondContact OE1-SG 3.41Å; Q79-Q82 VanDerWaalsContact O-CB 3.32Å; Q79-Q82 WeakPolarHBondContact O-CB 3.3Å; Q79-Q82 PolarHBondContact O-N 2.81Å
80M97.4Very high98Very high23 Ų2339.9 Ų39.911%0.11322%0.222CC..G310 helixtrans-57.4-28.8176.2-167.164.669.600112.6L16 V69 V73 Q82 M83 L257 V259 V261L16-M80 HydrophobicContact CD2-SD 4.1Å; V69-M80 HydrophobicContact CG1-CE 3.67Å; V73-M80 HydrophobicContact CB-CE 4.21Å; V73-M80 HydrophobicContact CG1-CE 4.42Å; V73-M80 HydrophobicContact CG2-CE 3.7Å; V73-M80 HydrophobicContact CG2-SD 4.05Å; M80-Q82 PolarHBondContact O-N 3.21Å; M80-Q82 VanDerWaalsContact O-N 3.16Å; M80-M83 WeakPolarHBondContact O-CB 3.39Å; M80-M83 WeakPolarHBondContact O-CG 3.37Å; M80-M83 PolarHBondContact O-N 3Å; M80-M83 VanDerWaalsContact O-N 3.11Å; M80-M83 HydrophobicContact SD-CG 3.87Å; M80-L257 HydrophobicContact CE-CD1 4.5Å; M80-L257 HydrophobicContact CE-CD2 4.41Å; M80-L257 HydrophobicContact CG-CB 4.17Å; M80-L257 HydrophobicContact SD-CD1 4.26Å; M80-V259 HydrophobicContact CB-CG2 3.78Å; M80-V259 HydrophobicContact CG-CG2 3.42Å; M80-V259 VanDerWaalsContact CG-CG2 3.42Å; M80-V261 HydrophobicContact CG-CG2 4.09Å; M80-V261 HydrophobicContact SD-CG2 4.2Å
81C96.6Very high97.8Very high58 Ų5834.8 Ų34.839%0.39220%0.2SC..G310 helixtrans-71.2-0.7175.574.10000114.8K11 Q79 V259K11-C81 PolarHBondContact NZ-SG 2.93Å; Q79-C81 PolarHBondContact O-N 3.39Å; Q79-C81 VanDerWaalsContact O-N 3.1Å; Q79-C81 PolarHBondContact OE1-SG 3.41Å; C81-V259 HydrophobicContact CB-CG1 4.22Å
82Q97.4Very high97.7Very high31 Ų3135.3 Ų35.315%0.14520%0.197CC..G310 helixtrans-96.9-4.4171.7-65174-99.900112.3K11 E12 S13 F14 Q79 M80 E84K11-Q82 HydrophobicContact CG-CG 4.5Å; E12-Q82 PolarHBondContact O-NE2 3.25Å; S13-Q82 WeakPolarHBondContact CA-O 3.4Å; F14-Q82 HydrophobicContact CD2-CB 4.01Å; F14-Q82 HydrophobicContact CE2-CB 4.37Å; F14-Q82 PolarHBondContact N-O 3.29Å; Q79-Q82 VanDerWaalsContact O-CB 3.32Å; Q79-Q82 WeakPolarHBondContact O-CB 3.3Å; Q79-Q82 PolarHBondContact O-N 2.81Å; M80-Q82 PolarHBondContact O-N 3.21Å; M80-Q82 VanDerWaalsContact O-N 3.16Å; Q82-E84 PolarHBondContact O-N 2.79Å
83M98.1Very high97.5Very high12 Ų1235.5 Ų35.56%0.05920%0.199CC..EExtended strand (participates in β ladder)trans-81116.5176.7-56.4-57.6103.700109.3F14 L16 V29 V73 V78 M80 V261F14-M83 HydrophobicContact CB-CE 3.59Å; F14-M83 HydrophobicContact CB-SD 4.02Å; F14-M83 HydrophobicContact CD2-CE 3.72Å; F14-M83 HydrophobicContact CG-CE 4Å; F14-M83 WeakPolarHBondContact O-CA 3.44Å; L16-M83 HydrophobicContact CB-CB 4.37Å; L16-M83 HydrophobicContact CB-CG 4.11Å; L16-M83 HydrophobicContact CB-SD 3.88Å; L16-M83 HydrophobicContact CD1-SD 4.22Å; L16-M83 HydrophobicContact CD2-CG 4.49Å; V29-M83 HydrophobicContact CG1-CE 4.02Å; V29-M83 HydrophobicContact CG1-SD 4.13Å; V29-M83 HydrophobicContact CG2-SD 4.42Å; V73-M83 HydrophobicContact CG2-CG 4.49Å; V73-M83 HydrophobicContact CG2-SD 4.29Å; V78-M83 HydrophobicContact CG2-CE 3.65Å; M80-M83 WeakPolarHBondContact O-CB 3.39Å; M80-M83 WeakPolarHBondContact O-CG 3.37Å; M80-M83 PolarHBondContact O-N 3Å; M80-M83 VanDerWaalsContact O-N 3.11Å; M80-M83 HydrophobicContact SD-CG 3.87Å; M83-V261 HydrophobicContact CB-CG1 4.11Å; M83-V261 HydrophobicContact CB-CG2 4.4Å
84E98.1Very high97.5Very high88 Ų8835.1 Ų35.141%0.41120%0.196SC..EExtended strand (participates in β ladder)trans-77-33.2178.7-64.6-68.8170.600111.8S13 F14 I15 Q82 P262 V474 F476S13-E84 WeakPolarHBondContact CB-OE1 3.46Å; S13-E84 PolarHBondContact OG-OE1 2.73Å; F14-E84 PolarHBondContact O-N 3.13Å; I15-E84 HydrophobicContact CD1-CB 4.16Å; Q82-E84 PolarHBondContact O-N 2.79Å; E84-P262 WeakPolarHBondContact O-CD 3.38Å; E84-P262 WeakPolarHBondContact O-CG 3.24Å; E84-V474 HydrophobicContact CB-CG2 4.1Å; E84-F476 HydrophobicContact CG-CD2 4.16Å
85A98.4Very high97.5Very high0 Ų027.7 Ų27.70%016%0.161CC..EExtended strand (participates in β ladder)trans-156.5160.5179.600000112.3I15 L16 P262 M264 A470 V474I15-A85 HydrophobicContact CD1-CB 3.96Å; L16-A85 PolarHBondContact N-O 2.88Å; A85-P262 CarbonylContact C-O 3.57Å; A85-P262 WeakPolarHBondContact CA-O 3.49Å; A85-M264 HydrophobicContact CB-CB 4.09Å; A85-M264 HydrophobicContact CB-CG 3.79Å; A85-A470 HydrophobicContact CB-CB 4.08Å; A85-V474 HydrophobicContact CB-CG1 3.89Å; A85-V474 HydrophobicContact CB-CG2 4.05Å
86L98.8Very high97.5Very high1 Ų123 Ų231%0.00514%0.136CC..EExtended strand (participates in β ladder)trans-111.2127.4169177.161.9000109.9L16 V18 F65 I88 L198 T252 V261 P262 I263 M264L16-L86 HydrophobicContact CB-CD1 4.17Å; L16-L86 HydrophobicContact CD2-CD1 3.9Å; L16-L86 HydrophobicContact CG-CD1 3.91Å; L16-L86 CarbonylContact O-C 3.31Å; L16-L86 VanDerWaalsContact O-CA 3.3Å; L16-L86 WeakPolarHBondContact O-CA 3.42Å; V18-L86 HydrophobicContact CG2-CD1 4.01Å; F65-L86 HydrophobicContact CZ-CD2 4.45Å; L86-I88 HydrophobicContact CD1-CG1 4.39Å; L86-I88 HydrophobicContact CD2-CD1 4.06Å; L86-I88 HydrophobicContact CD2-CG1 4.14Å; L86-I88 HydrophobicContact CG-CD1 4.41Å; L86-I88 HydrophobicContact CG-CG1 3.97Å; L86-L198 HydrophobicContact CD2-CD1 4.15Å; L86-T252 HydrophobicContact CD2-CG2 4.18Å; L86-V261 HydrophobicContact CB-CG1 4.04Å; L86-P262 PolarHBondContact N-O 2.92Å; L86-I263 HydrophobicContact CD2-CG1 4.32Å; L86-M264 PolarHBondContact O-N 3.41Å
87G98.6Very high97.5Very high0 Ų022.2 Ų22.20%013%0.13CC..EExtended strand (participates in β ladder)trans-110.7133165.900000111.4L16 S17 V18L16-G87 PolarHBondContact O-N 3.21Å; S17-G87 CarbonylContact C-O 3.55Å; S17-G87 WeakPolarHBondContact CA-O 3.44Å; S17-G87 PolarHBondContact OG-O 3.35Å; V18-G87 PolarHBondContact N-O 2.89Å
88I98.6Very high97.6Very high0 Ų018.9 Ų18.90%010%0.096CC..EExtended strand (participates in β ladder)trans-117.1127.3-179.4-52.4176.2000109.1V18 F65 L86 T90 L194 L198 I263 S265 V266 M267V18-I88 CarbonylContact O-C 3.59Å; V18-I88 WeakPolarHBondContact O-CA 3.46Å; F65-I88 HydrophobicContact CE2-CD1 4.46Å; F65-I88 HydrophobicContact CZ-CD1 4.26Å; L86-I88 HydrophobicContact CD1-CG1 4.39Å; L86-I88 HydrophobicContact CD2-CD1 4.06Å; L86-I88 HydrophobicContact CD2-CG1 4.14Å; L86-I88 HydrophobicContact CG-CD1 4.41Å; L86-I88 HydrophobicContact CG-CG1 3.97Å; I88-T90 HydrophobicContact CG2-CG2 3.86Å; I88-L194 HydrophobicContact CG2-CD1 4.13Å; I88-L198 HydrophobicContact CD1-CD1 3.65Å; I88-I263 HydrophobicContact CD1-CG2 4.28Å; I88-S265 PolarHBondContact N-O 2.79Å; I88-V266 HydrophobicContact CB-CG1 4.22Å; I88-V266 HydrophobicContact CD1-CG1 4.44Å; I88-V266 CarbonylContact O-C 3.6Å; I88-V266 VanDerWaalsContact O-CA 3.26Å; I88-V266 WeakPolarHBondContact O-CA 3.43Å; I88-M267 PolarHBondContact O-N 2.85Å
89S98.3Very high97.6Very high0 Ų019.2 Ų19.20%010%0.097CC..EExtended strand (participates in β ladder)trans-112.5143.3164.855.60000110V18 D19 V20 M267 S462V18-S89 PolarHBondContact O-N 3.48Å; D19-S89 WeakPolarHBondContact CA-O 3.09Å; D19-S89 VanDerWaalsContact CA-OG 3.29Å; D19-S89 WeakPolarHBondContact CA-OG 3.02Å; D19-S89 WeakPolarHBondContact CB-OG 3.39Å; D19-S89 PolarHBondContact OD1-OG 3.03Å; V20-S89 PolarHBondContact N-O 3.16Å; S89-M267 CarbonylContact C-O 3.5Å; S89-M267 VanDerWaalsContact CA-O 3.24Å; S89-M267 WeakPolarHBondContact CA-O 3.32Å; S89-S462 WeakPolarHBondContact CB-OG 3.44Å; S89-S462 PolarHBondContact OG-OG 3.41Å
90T97.6Very high97.5Very high0 Ų017.6 Ų17.60%09%0.085CC..EExtended strand (participates in β ladder)trans-137.5148.7-178.6630000112.1V20 I88 R92 I190 D191 L194 N210 M267 D269V20-T90 HydrophobicContact CB-CG2 4.08Å; V20-T90 HydrophobicContact CG2-CG2 4.19Å; V20-T90 CarbonylContact O-C 3.52Å; I88-T90 HydrophobicContact CG2-CG2 3.86Å; T90-R92 PolarHBondContact O-N 3.25Å; T90-I190 HydrophobicContact CG2-CB 4.13Å; T90-I190 HydrophobicContact CG2-CG2 3.8Å; T90-D191 HydrophobicContact CG2-CB 4.02Å; T90-L194 HydrophobicContact CG2-CD1 4.35Å; T90-N210 PolarHBondContact OG1-OD1 3.35Å; T90-M267 PolarHBondContact N-O 2.72Å; T90-D269 WeakPolarHBondContact O-CB 3.45Å; T90-D269 PolarHBondContact O-N 2.88Å
91Q94.3Very high97.4Very high1 Ų125.3 Ų25.31%0.00511%0.113CC..  trans-54140.1164.562.6175.3-32.700110.4V20 T22 M56 W112 I190V20-Q91 PolarHBondContact O-N 3.34Å; T22-Q91 PolarHBondContact OG1-OE1 3.5Å; M56-Q91 PolarHBondContact SD-NE2 3Å; Q91-W112 VanDerWaalsContact OE1-CD1 3.29Å; Q91-I190 HydrophobicContact CG-CD1 3.63Å
92R94.8Very high97.3Very high28 Ų2827 Ų2711%0.10612%0.121CC..THydrogen-bonded Turntrans-74.4161-176.1-68.7172.4-65.41669.7112.3T90 T94 W112 A268 D269 E327T90-R92 PolarHBondContact O-N 3.25Å; R92-T94 PolarHBondContact O-N 3.27Å; R92-W112 WeakPolarHBondContact O-CB 3.2Å; R92-A268 HydrophobicContact CG-CB 3.49Å; R92-A268 VanDerWaalsContact CG-CB 3.49Å; R92-D269 IonicContact NE-OD1 3.39Å; R92-D269 PolarHBondContact NE-OD1 3.42Å; R92-E327 IonicContact CZ-OE1 2.75Å; R92-E327 IonicContact CZ-OE2 2.86Å; R92-E327 VanDerWaalsContact CZ-OE2 3.25Å; R92-E327 IonicContact NH1-OE1 3.71Å; R92-E327 PolarHBondContact NH1-OE1 3.12Å; R92-E327 IonicContact NH1-OE2 3.25Å; R92-E327 PolarHBondContact NH1-OE2 2.82Å; R92-E327 IonicContact NH2-OE1 3.86Å; R92-E327 PolarHBondContact NH2-OE1 2.94Å; R92-E327 IonicContact NH2-OE2 3.02Å; R92-E327 PolarHBondContact NH2-OE2 3.37Å
93A95.4Very high97.1Very high5 Ų525.8 Ų25.84%0.04112%0.117CC..THydrogen-bonded Turntrans53.57.4167.400000117.3W112 Q160 V162 R165A93-W112 HydrophobicContact CB-CB 4.1Å; A93-Q160 WeakPolarHBondContact CB-O 3.43Å; A93-V162 HydrophobicContact CB-CG2 3.98Å; A93-V162 WeakPolarHBondContact O-CG2 3.16Å; A93-R165 VanDerWaalsContact O-CZ 3.32Å; A93-R165 PolarHBondContact O-NH1 2.85Å; A93-R165 PolarHBondContact O-NH2 3Å
94T97.8Very high97Very high0 Ų029.5 Ų29.50%014%0.14CC..  trans-87.4123.9169.9-60.60000107.9M56 R92 F109 I110 W112 T189 I190M56-T94 HydrophobicContact SD-CG2 4.25Å; R92-T94 PolarHBondContact O-N 3.27Å; T94-F109 HydrophobicContact CG2-CB 3.88Å; T94-F109 HydrophobicContact CG2-CD1 4.18Å; T94-F109 HydrophobicContact CG2-CG 4.37Å; T94-I110 WeakPolarHBondContact CA-O 3.4Å; T94-W112 PolarHBondContact OG1-N 3.34Å; T94-T189 VanDerWaalsContact O-CA 3.25Å; T94-T189 WeakPolarHBondContact O-CA 3.17Å; T94-I190 HydrophobicContact CG2-CD1 3.73Å; T94-I190 HydrophobicContact CG2-CG1 4Å; T94-I190 PolarHBondContact O-N 2.84Å
95F98.6Very high97Very high0 Ų026.6 Ų26.60%013%0.13CC..EExtended strand (participates in β ladder)trans-138.8160.5-168.778.1-83.1000112.3F109 I110 V162 R165 L166 V169 F187 G188 T189F95-F109 CarbonylContact O-C 3.45Å; F95-F109 WeakPolarHBondContact O-CA 3.31Å; F95-I110 HydrophobicContact CD1-CB 4.44Å; F95-I110 HydrophobicContact CE1-CB 3.94Å; F95-I110 HydrophobicContact CE1-CG2 4.24Å; F95-I110 HydrophobicContact CZ-CB 4.23Å; F95-I110 HydrophobicContact CZ-CD1 4Å; F95-I110 PolarHBondContact N-O 3.19Å; F95-I110 PolarHBondContact O-N 2.9Å; F95-V162 HydrophobicContact CB-CG1 4.49Å; F95-V162 HydrophobicContact CD1-CB 4.35Å; F95-V162 HydrophobicContact CD1-CG1 3.68Å; F95-V162 HydrophobicContact CD1-CG2 4.03Å; F95-V162 HydrophobicContact CD2-CG1 4.36Å; F95-V162 HydrophobicContact CE1-CG1 3.94Å; F95-V162 HydrophobicContact CG-CG1 3.91Å; F95-V162 HydrophobicContact CZ-CG1 4.38Å; F95-R165 HydrophobicContact CE1-CB 3.56Å; F95-R165 HydrophobicContact CZ-CB 3.89Å; F95-L166 HydrophobicContact CD2-CD1 4.49Å; F95-L166 HydrophobicContact CE2-CB 4.17Å; F95-L166 HydrophobicContact CE2-CD1 3.86Å; F95-L166 HydrophobicContact CZ-CB 4.15Å; F95-V169 HydrophobicContact CE2-CG2 4.18Å; F95-V169 HydrophobicContact CZ-CG2 4.13Å; F95-F187 HydrophobicContact CB-CE2 3.66Å; F95-F187 HydrophobicContact CB-CZ 4.02Å; F95-F187 AromaticContact CD2-CD2 3.87Å; F95-F187 HydrophobicContact CD2-CD2 3.87Å; F95-F187 AromaticContact CD2-CE2 3.43Å; F95-F187 HydrophobicContact CD2-CE2 3.43Å; F95-F187 VanDerWaalsContact CD2-CE2 3.43Å; F95-F187 HydrophobicContact CE2-CE2 4.25Å; F95-F187 AromaticContact CG-CE2 3.65Å; F95-F187 HydrophobicContact CG-CE2 3.65Å; F95-F187 HydrophobicContact CG-CZ 4.39Å; F95-G188 VanDerWaalsContact CA-O 3.32Å; F95-G188 WeakPolarHBondContact CA-O 3.46Å; F95-G188 WeakPolarHBondContact CB-O 3.46Å; F95-T189 HydrophobicContact CB-CG2 4.37Å
96T98.6Very high97Very high0 Ų028.9 Ų28.90%014%0.14CC..EExtended strand (participates in β ladder)trans-139.2173.4165.5-168.80000110.3W98 H107 F109 G188 W193T96-W98 HydrophobicContact CG2-CE3 3.98Å; T96-W98 HydrophobicContact CG2-CZ3 4.31Å; T96-H107 PolarHBondContact OG1-O 3.43Å; T96-F109 HydrophobicContact CG2-CD1 3.89Å; T96-F109 HydrophobicContact CG2-CE1 3.47Å; T96-F109 VanDerWaalsContact CG2-CE1 3.47Å; T96-F109 HydrophobicContact CG2-CE2 4.35Å; T96-F109 HydrophobicContact CG2-CG 4.47Å; T96-F109 HydrophobicContact CG2-CZ 3.74Å; T96-G188 PolarHBondContact N-O 2.84Å; T96-G188 PolarHBondContact O-N 2.58Å; T96-W193 HydrophobicContact CG2-CG 4.31Å
97T98.6Very high97Very high0 Ų029.5 Ų29.50%014%0.142CC..EExtended strand (participates in β ladder)trans-124145.7169.158.20000109.5P105 F106 H107 L166 V176 C186 F187T97-P105 CarbonylContact O-C 3.5Å; T97-P105 WeakPolarHBondContact O-CA 3.49Å; T97-F106 PolarHBondContact O-N 2.77Å; T97-H107 PolarHBondContact N-NE2 3.44Å; T97-H107 PolarHBondContact OG1-CD2 3.48Å; T97-H107 PolarHBondContact OG1-NE2 3.02Å; T97-L166 HydrophobicContact CG2-CD1 4Å; T97-V176 HydrophobicContact CG2-CG1 4.44Å; T97-V176 WeakPolarHBondContact OG1-CG2 3.35Å; T97-C186 CarbonylContact C-O 3.53Å; T97-C186 WeakPolarHBondContact CA-O 3.36Å; T97-C186 WeakPolarHBondContact CB-O 3Å; T97-F187 HydrophobicContact CG2-CB 4.39Å; T97-F187 HydrophobicContact CG2-CD2 4.33Å
98W98.5Very high97Very high0 Ų031.7 Ų31.70%015%0.154CC..EExtended strand (participates in β ladder)trans-147161.5-176.966.794.8000112.5T96 V104 F106 C186 G188 T192 W193 F196 H204T96-W98 HydrophobicContact CG2-CE3 3.98Å; T96-W98 HydrophobicContact CG2-CZ3 4.31Å; W98-V104 WeakPolarHBondContact CA-O 3.21Å; W98-V104 WeakPolarHBondContact CB-O 3.28Å; W98-F106 WeakPolarHBondContact O-CE2 3.46Å; W98-C186 HydrophobicContact CD2-CB 3.69Å; W98-C186 HydrophobicContact CE3-CB 4.28Å; W98-C186 HydrophobicContact CG-CB 4.09Å; W98-C186 HydrophobicContact CH2-CB 4.21Å; W98-C186 HydrophobicContact CZ2-CB 3.59Å; W98-C186 PolarHBondContact N-O 2.97Å; W98-C186 PolarHBondContact O-N 3.44Å; W98-G188 VanDerWaalsContact CZ3-N 3.28Å; W98-T192 HydrophobicContact CH2-CG2 3.86Å; W98-T192 HydrophobicContact CZ2-CG2 4.47Å; W98-W193 AromaticContact CD2-CD1 3.96Å; W98-W193 AromaticContact CE3-CD1 3.75Å; W98-W193 HydrophobicContact CH2-CB 4.31Å; W98-W193 HydrophobicContact CZ3-CB 4.16Å; W98-F196 HydrophobicContact CZ2-CB 4.05Å; W98-F196 HydrophobicContact CZ2-CD2 4.11Å; W98-F196 HydrophobicContact CZ2-CG 4.06Å; W98-F196 AromaticContact NE1-CD1 3.64Å; W98-F196 AromaticContact NE1-CD2 3.61Å; W98-F196 AromaticContact NE1-CE1 3.66Å; W98-F196 AromaticContact NE1-CE2 3.59Å; W98-F196 AromaticContact NE1-CG 3.63Å; W98-F196 AromaticContact NE1-CZ 3.63Å; W98-H204 AromaticContact CZ2-CD2 3.82Å
99D97.7Very high97Very high30 Ų3031.7 Ų31.716%0.1615%0.154CC..EExtended strand (participates in β ladder)trans-74.2123.9173.7-178.7-63000110.3R101 T102 G103 V104 F106D99-R101 PolarHBondContact O-N 2.84Å; D99-R101 WeakPolarHBondContact OD1-CA 3.48Å; D99-R101 VanDerWaalsContact OD1-CB 3.26Å; D99-R101 WeakPolarHBondContact OD1-CB 3.47Å; D99-R101 PolarHBondContact OD1-N 3.32Å; D99-T102 WeakPolarHBondContact CB-OG1 3.39Å; D99-T102 PolarHBondContact O-N 3.04Å; D99-T102 PolarHBondContact OD1-N 3.2Å; D99-G103 WeakPolarHBondContact O-CA 3.48Å; D99-G103 PolarHBondContact O-N 2.92Å; D99-V104 PolarHBondContact N-O 3.25Å; D99-V104 VanDerWaalsContact N-O 3.08Å; D99-F106 HydrophobicContact CB-CE1 4.03Å; D99-F106 HydrophobicContact CB-CZ 3.69Å
100R96.3Very high97Very high92 Ų9231.7 Ų31.735%0.34715%0.154SC..THydrogen-bonded Turntrans-58.8-30.5-177.5-174.6177.7-65.6-76.8-0.3113.3N184 C186 F196 H204R100-N184 WeakPolarHBondContact CB-O 3.31Å; R100-N184 PolarHBondContact N-O 2.9Å; R100-C186 VanDerWaalsContact CB-SG 3.54Å; R100-F196 WeakPolarHBondContact O-CZ 3.38Å; R100-H204 PolarHBondContact NH1-ND1 3.47Å; R100-H204 PolarHBondContact NH2-ND1 3Å
101R94.3Very high96.8Very high186 Ų18631.7 Ų31.770%0.70215%0.154SC*.THydrogen-bonded Turntrans-84.8-42.5-174.6-53.9174.3-177.3-178.2-0.8110.9D99 N184D99-R101 PolarHBondContact O-N 2.84Å; D99-R101 WeakPolarHBondContact OD1-CA 3.48Å; D99-R101 VanDerWaalsContact OD1-CB 3.26Å; D99-R101 WeakPolarHBondContact OD1-CB 3.47Å; D99-R101 PolarHBondContact OD1-N 3.32Å; R101-N184 VanDerWaalsContact CZ-OD1 3.23Å; R101-N184 VanDerWaalsContact NE-CG 3.33Å; R101-N184 PolarHBondContact NE-ND2 3.46Å; R101-N184 PolarHBondContact NE-OD1 2.9Å; R101-N184 PolarHBondContact NH2-ND2 3.31Å; R101-N184 PolarHBondContact NH2-OD1 3.04Å
102T93.9Very high96.7Very high92 Ų9234.5 Ų34.556%0.56417%0.165SC*.THydrogen-bonded Turntrans-96.4-24.5-174.169.80000113.2D99 V104D99-T102 WeakPolarHBondContact CB-OG1 3.39Å; D99-T102 PolarHBondContact O-N 3.04Å; D99-T102 PolarHBondContact OD1-N 3.2Å; T102-V104 PolarHBondContact O-N 2.93Å; T102-V104 WeakPolarHBondContact OG1-CB 3.43Å; T102-V104 WeakPolarHBondContact OG1-CG2 3.24Å; T102-V104 PolarHBondContact OG1-N 2.86Å; T102-V104 VanDerWaalsContact OG1-N 3.17Å
103G93.8Very high96.4Very high6 Ų635.9 Ų35.96%0.06217%0.172CC..  trans73.37.1-171.400000114.2D99 P105D99-G103 WeakPolarHBondContact O-CA 3.48Å; D99-G103 PolarHBondContact O-N 2.92Å; G103-P105 WeakPolarHBondContact O-CD 3.35Å
104V96.2Very high96.2Very high90 Ų9035.7 Ų35.755%0.54517%0.17SC..  trans-80.5122.5-178.51780000109.5W98 D99 T102W98-V104 WeakPolarHBondContact CA-O 3.21Å; W98-V104 WeakPolarHBondContact CB-O 3.28Å; D99-V104 PolarHBondContact N-O 3.25Å; D99-V104 VanDerWaalsContact N-O 3.08Å; T102-V104 PolarHBondContact O-N 2.93Å; T102-V104 WeakPolarHBondContact OG1-CB 3.43Å; T102-V104 WeakPolarHBondContact OG1-CG2 3.24Å; T102-V104 PolarHBondContact OG1-N 2.86Å; T102-V104 VanDerWaalsContact OG1-N 3.17Å
105P98.2Very high95.8Very high28 Ų2839.5 Ų39.518%0.18219%0.188CC..BIsolated β-bridgetrans-62.2140.7174.2-21.934.7000112.2P58 T97 G103 H107 W193P58-P105 HydrophobicContact CB-CB 4.49Å; P58-P105 HydrophobicContact CB-CG 3.78Å; P58-P105 HydrophobicContact CG-CB 4.02Å; P58-P105 HydrophobicContact CG-CG 3.87Å; T97-P105 CarbonylContact O-C 3.5Å; T97-P105 WeakPolarHBondContact O-CA 3.49Å; G103-P105 WeakPolarHBondContact O-CD 3.35Å; P105-H107 VanDerWaalsContact C-N 3.3Å; P105-H107 WeakPolarHBondContact CB-O 3.46Å; P105-W193 HydrophobicContact CG-CZ2 4.32Å
106F98.2Very high95.5Very high48 Ų4840.5 Ų40.521%0.21119%0.192CC..SBendtrans-77.2-21.4173.9-61.8-62.1000112.6T97 W98 D99 Q175 V176 A179T97-F106 PolarHBondContact O-N 2.77Å; W98-F106 WeakPolarHBondContact O-CE2 3.46Å; D99-F106 HydrophobicContact CB-CE1 4.03Å; D99-F106 HydrophobicContact CB-CZ 3.69Å; F106-Q175 HydrophobicContact CD1-CB 3.99Å; F106-Q175 HydrophobicContact CE1-CB 4.44Å; F106-V176 HydrophobicContact CB-CG2 3.59Å; F106-V176 HydrophobicContact CD2-CG2 3.8Å; F106-V176 HydrophobicContact CG-CG2 3.84Å; F106-A179 HydrophobicContact CE1-CB 4.18Å; F106-A179 HydrophobicContact CE2-CB 3.84Å; F106-A179 HydrophobicContact CZ-CB 3.37Å
107H98Very high95.3Very high13 Ų1340.5 Ų40.56%0.0619%0.192CC..SBendtrans-156.2167.8-179.760.286.9000110.4T96 T97 P105 V169 Y173T96-H107 PolarHBondContact OG1-O 3.43Å; T97-H107 PolarHBondContact N-NE2 3.44Å; T97-H107 PolarHBondContact OG1-CD2 3.48Å; T97-H107 PolarHBondContact OG1-NE2 3.02Å; P105-H107 VanDerWaalsContact C-N 3.3Å; P105-H107 WeakPolarHBondContact CB-O 3.46Å; H107-V169 WeakPolarHBondContact NE2-CG1 3.43Å; H107-Y173 HydrophobicContact CB-CD2 4.41Å; H107-Y173 HydrophobicContact CB-CE1 4.13Å; H107-Y173 HydrophobicContact CB-CE2 3.85Å; H107-Y173 AromaticContact CG-CE2 3.98Å
108N98.4Very high95Very high46 Ų4642.3 Ų42.325%0.24621%0.207CC..  trans-59.4160172-71.9-25.3000111.8E55 M56 P58 I110E55-N108 HydrophobicContact CB-CB 3.93Å; E55-N108 HydrophobicContact CG-CB 4.31Å; E55-N108 WeakPolarHBondContact OE2-CB 3.36Å; E55-N108 PolarHBondContact OE2-ND2 3.23Å; M56-N108 WeakPolarHBondContact O-CB 3.4Å; P58-N108 WeakPolarHBondContact CD-OD1 3.3Å; N108-I110 PolarHBondContact O-N 3.47Å
109F98.6Very high94.6Very high0 Ų048.6 Ų48.60%024%0.241CC..EExtended strand (participates in β ladder)trans-59.5130.3167.2-78.4-79.4000110.2E55 M56 P58 L61 T94 F95 T96 I190 W193E55-F109 CarbonylContact C-O 3.48Å; E55-F109 WeakPolarHBondContact CA-O 3.45Å; M56-F109 HydrophobicContact CB-CB 4.03Å; M56-F109 PolarHBondContact N-O 3.12Å; M56-F109 WeakPolarHBondContact O-CB 3.41Å; M56-F109 PolarHBondContact O-N 3.43Å; P58-F109 HydrophobicContact CB-CD2 4.01Å; P58-F109 HydrophobicContact CB-CE2 3.77Å; P58-F109 HydrophobicContact CG-CD2 3.85Å; P58-F109 HydrophobicContact CG-CE2 4.07Å; L61-F109 HydrophobicContact CD2-CE2 4.39Å; T94-F109 HydrophobicContact CG2-CB 3.88Å; T94-F109 HydrophobicContact CG2-CD1 4.18Å; T94-F109 HydrophobicContact CG2-CG 4.37Å; F95-F109 CarbonylContact O-C 3.45Å; F95-F109 WeakPolarHBondContact O-CA 3.31Å; T96-F109 HydrophobicContact CG2-CD1 3.89Å; T96-F109 HydrophobicContact CG2-CE1 3.47Å; T96-F109 VanDerWaalsContact CG2-CE1 3.47Å; T96-F109 HydrophobicContact CG2-CE2 4.35Å; T96-F109 HydrophobicContact CG2-CG 4.47Å; T96-F109 HydrophobicContact CG2-CZ 3.74Å; F109-I190 HydrophobicContact CD1-CG1 3.96Å; F109-I190 HydrophobicContact CE1-CB 4.46Å; F109-I190 HydrophobicContact CE1-CG1 3.81Å; F109-I190 HydrophobicContact CZ-CG1 4.35Å; F109-W193 HydrophobicContact CE1-CB 4.23Å; F109-W193 HydrophobicContact CE1-CG 4.43Å; F109-W193 HydrophobicContact CE2-CD2 4.1Å; F109-W193 HydrophobicContact CE2-CE3 4.01Å; F109-W193 HydrophobicContact CE2-CZ3 4.25Å; F109-W193 HydrophobicContact CZ-CB 3.85Å; F109-W193 AromaticContact CZ-CD2 3.61Å; F109-W193 HydrophobicContact CZ-CD2 3.61Å; F109-W193 AromaticContact CZ-CE3 3.7Å; F109-W193 HydrophobicContact CZ-CE3 3.7Å; F109-W193 AromaticContact CZ-CG 3.69Å; F109-W193 HydrophobicContact CZ-CG 3.69Å; F109-W193 HydrophobicContact CZ-CZ3 4.39Å
110I98.4Very high94.4Very high0 Ų049.6 Ų49.60%025%0.246CC..EExtended strand (participates in β ladder)trans-93.8114.6173.3-60177000107.6T94 F95 N108 D114 R165 V169T94-I110 WeakPolarHBondContact CA-O 3.4Å; F95-I110 HydrophobicContact CD1-CB 4.44Å; F95-I110 HydrophobicContact CE1-CB 3.94Å; F95-I110 HydrophobicContact CE1-CG2 4.24Å; F95-I110 HydrophobicContact CZ-CB 4.23Å; F95-I110 HydrophobicContact CZ-CD1 4Å; F95-I110 PolarHBondContact N-O 3.19Å; F95-I110 PolarHBondContact O-N 2.9Å; N108-I110 PolarHBondContact O-N 3.47Å; I110-D114 HydrophobicContact CG2-CB 3.68Å; I110-R165 HydrophobicContact CG2-CB 4.43Å; I110-R165 PolarHBondContact O-NH1 2.95Å; I110-V169 HydrophobicContact CD1-CG2 3.31Å
111S95.3Very high94.3Very high1 Ų145.8 Ų45.81%0.00723%0.233CC..  trans-66153.3-175.5176.10000112.4V54 Q113 D114 R165V54-S111 WeakPolarHBondContact O-CB 3.47Å; V54-S111 PolarHBondContact O-N 3.48Å; S111-Q113 PolarHBondContact O-N 2.94Å; S111-Q113 VanDerWaalsContact O-N 3.16Å; S111-Q113 PolarHBondContact OG-N 2.82Å; S111-D114 WeakPolarHBondContact O-CB 3.49Å; S111-D114 PolarHBondContact O-N 2.92Å; S111-R165 VanDerWaalsContact C-NH1 3.28Å; S111-R165 PolarHBondContact O-NH1 3.4Å
112W91.8Very high94.2Very high60 Ų6040.6 Ų40.623%0.22722%0.215CC..THydrogen-bonded Turntrans-58.7-20.5170.669.1-91.5000113.7T22 Q91 R92 A93 T94 D114T22-W112 PolarHBondContact OG1-NE1 3.38Å; T22-W112 VanDerWaalsContact OG1-NE1 3.14Å; Q91-W112 VanDerWaalsContact OE1-CD1 3.29Å; R92-W112 WeakPolarHBondContact O-CB 3.2Å; A93-W112 HydrophobicContact CB-CB 4.1Å; T94-W112 PolarHBondContact OG1-N 3.34Å; W112-D114 VanDerWaalsContact C-N 3.34Å
113Q87.6Confident94.2Very high57 Ų5739.9 Ų39.927%0.26621%0.214SC..THydrogen-bonded Turntrans-81.5-14.9178-59.4-179.3-54.800113.1V54 S111 Q115V54-Q113 HydrophobicContact CB-CB 4.42Å; V54-Q113 HydrophobicContact CG1-CB 4.46Å; V54-Q113 HydrophobicContact CG2-CB 4.23Å; S111-Q113 PolarHBondContact O-N 2.94Å; S111-Q113 VanDerWaalsContact O-N 3.16Å; S111-Q113 PolarHBondContact OG-N 2.82Å; Q113-Q115 PolarHBondContact O-NE2 2.87Å
114D91.3Very high94.2Very high0 Ų042 Ų420%022%0.22CC..  trans-65.1134.3-171.4-171.7-72.7000112.6H53 V54 I110 S111 W112 R116H53-D114 VanDerWaalsContact CA-OD2 3.27Å; H53-D114 WeakPolarHBondContact CA-OD2 3.4Å; V54-D114 HydrophobicContact CB-CB 4.37Å; V54-D114 PolarHBondContact N-OD2 3.41Å; I110-D114 HydrophobicContact CG2-CB 3.68Å; S111-D114 WeakPolarHBondContact O-CB 3.49Å; S111-D114 PolarHBondContact O-N 2.92Å; W112-D114 VanDerWaalsContact C-N 3.34Å; D114-R116 VanDerWaalsContact CG-NE 3.28Å; D114-R116 WeakPolarHBondContact OD1-CB 3.45Å; D114-R116 WeakPolarHBondContact OD1-CG 3.45Å; D114-R116 IonicContact OD1-CZ 2.94Å; D114-R116 PolarHBondContact OD1-N 2.97Å; D114-R116 IonicContact OD1-NE 3.88Å; D114-R116 PolarHBondContact OD1-NE 2.85Å; D114-R116 IonicContact OD2-CZ 3.44Å; D114-R116 VanDerWaalsContact OD2-CZ 3.29Å; D114-R116 IonicContact OD2-NE 3.67Å; D114-R116 PolarHBondContact OD2-NE 2.91Å; D114-R116 IonicContact OD2-NH2 2.73Å; D114-R116 PolarHBondContact OD2-NH2 3.46Å
115Q89.6Confident94.1Very high80 Ų8039.9 Ų39.937%0.37421%0.205SC..  trans-109.79.1-176.6-59.6-54.8-49.600113.5G52 Q113 A117 A118 T159G52-Q115 PolarHBondContact O-N 2.78Å; Q113-Q115 PolarHBondContact O-NE2 2.87Å; Q115-A117 PolarHBondContact O-N 3.5Å; Q115-A118 HydrophobicContact CB-CB 4.47Å; Q115-A118 WeakPolarHBondContact O-CB 3.33Å; Q115-A118 PolarHBondContact O-N 3.45Å; Q115-T159 PolarHBondContact NE2-OG1 3.08Å; Q115-T159 PolarHBondContact OE1-OG1 2.76Å
116R93.2Very high93.9Very high22 Ų2245.5 Ų45.58%0.08322%0.223CC..THydrogen-bonded Turntrans-57-26.7-177.980.4-174.763.2-160-4.3113.6H53 E55 D114 W168H53-R116 VanDerWaalsContact CD2-CB 3.49Å; H53-R116 WeakPolarHBondContact CD2-CB 3.26Å; H53-R116 WeakPolarHBondContact NE2-CB 3.36Å; E55-R116 IonicContact OE1-CZ 2.97Å; E55-R116 VanDerWaalsContact OE1-CZ 3.3Å; E55-R116 IonicContact OE1-NH1 2.71Å; E55-R116 PolarHBondContact OE1-NH1 3.2Å; E55-R116 IonicContact OE1-NH2 3.29Å; E55-R116 PolarHBondContact OE1-NH2 3.04Å; D114-R116 VanDerWaalsContact CG-NE 3.28Å; D114-R116 WeakPolarHBondContact OD1-CB 3.45Å; D114-R116 WeakPolarHBondContact OD1-CG 3.45Å; D114-R116 IonicContact OD1-CZ 2.94Å; D114-R116 PolarHBondContact OD1-N 2.97Å; D114-R116 IonicContact OD1-NE 3.88Å; D114-R116 PolarHBondContact OD1-NE 2.85Å; D114-R116 IonicContact OD2-CZ 3.44Å; D114-R116 VanDerWaalsContact OD2-CZ 3.29Å; D114-R116 IonicContact OD2-NE 3.67Å; D114-R116 PolarHBondContact OD2-NE 2.91Å; D114-R116 IonicContact OD2-NH2 2.73Å; D114-R116 PolarHBondContact OD2-NH2 3.46Å; R116-W168 VanDerWaalsContact CD-CE3 3.43Å; R116-W168 HydrophobicContact CG-CD2 3.89Å; R116-W168 HydrophobicContact CG-CE3 4.24Å; R116-W168 HydrophobicContact CG-CG 4.05Å
117A94.4Very high93.7Very high0 Ų044.5 Ų44.50%022%0.222CC..THydrogen-bonded Turntrans-93.59.1178.800000113.9Q115 D119 L120 V121 F164 R165 W168Q115-A117 PolarHBondContact O-N 3.5Å; A117-D119 PolarHBondContact O-N 2.99Å; A117-L120 PolarHBondContact O-N 3.24Å; A117-V121 WeakPolarHBondContact O-CB 3.42Å; A117-V121 WeakPolarHBondContact O-CG2 3.49Å; A117-V121 PolarHBondContact O-N 3.46Å; A117-F164 HydrophobicContact CB-CB 4.09Å; A117-F164 WeakPolarHBondContact CB-O 3.36Å; A117-R165 HydrophobicContact CB-CG 3.96Å; A117-W168 HydrophobicContact CB-CB 4.48Å
118A90.4Very high93.6Very high38 Ų3848.2 Ų48.231%0.31425%0.248SC..Hα-helixtrans-59.3-45.7-174.300000113Q115 L120 V121 K122 T159Q115-A118 HydrophobicContact CB-CB 4.47Å; Q115-A118 WeakPolarHBondContact O-CB 3.33Å; Q115-A118 PolarHBondContact O-N 3.45Å; A118-L120 VanDerWaalsContact C-N 3.33Å; A118-L120 PolarHBondContact O-N 3.46Å; A118-V121 PolarHBondContact O-N 3.44Å; A118-K122 WeakPolarHBondContact O-CB 3.39Å; A118-K122 PolarHBondContact O-N 2.92Å; A118-T159 HydrophobicContact CB-CG2 4.05Å
119D90.7Very high93.4Very high131 Ų13149.9 Ų49.970%0.70126%0.257SS*.Hα-helixtrans-66.7-37.2178-74.8-30.9000112.1A117 K122 S123A117-D119 PolarHBondContact O-N 2.99Å; D119-K122 PolarHBondContact O-N 2.85Å; D119-S123 VanDerWaalsContact O-CB 3.28Å; D119-S123 WeakPolarHBondContact O-CB 3.46Å; D119-S123 PolarHBondContact O-N 3.27Å
120L93.6Very high93.1Very high52 Ų5250 Ų5027%0.27226%0.257SS..Hα-helixtrans-65-46176.7-171.461.6000111A117 A118 S123 W124 F164 I167A117-L120 PolarHBondContact O-N 3.24Å; A118-L120 VanDerWaalsContact C-N 3.33Å; A118-L120 PolarHBondContact O-N 3.46Å; L120-S123 PolarHBondContact O-N 2.89Å; L120-W124 WeakPolarHBondContact O-CB 3.39Å; L120-W124 PolarHBondContact O-N 3.4Å; L120-F164 HydrophobicContact CB-CD1 4.44Å; L120-F164 HydrophobicContact CD2-CD1 3.63Å; L120-F164 HydrophobicContact CD2-CE1 4.37Å; L120-F164 HydrophobicContact CG-CD1 3.57Å; L120-F164 HydrophobicContact CG-CE1 4.08Å; L120-I167 HydrophobicContact CD2-CB 4.22Å; L120-I167 HydrophobicContact CD2-CG2 3.85Å
121V94.2Very high93Very high11 Ų1156.6 Ų56.67%0.06729%0.286CS..Hα-helixtrans-59.4-46.5174167.40000111A117 A118 S123 W124 N125 F157 T159 F164A117-V121 WeakPolarHBondContact O-CB 3.42Å; A117-V121 WeakPolarHBondContact O-CG2 3.49Å; A117-V121 PolarHBondContact O-N 3.46Å; A118-V121 PolarHBondContact O-N 3.44Å; V121-S123 PolarHBondContact O-N 3.2Å; V121-W124 PolarHBondContact O-N 2.87Å; V121-N125 WeakPolarHBondContact CG1-ND2 3.45Å; V121-N125 WeakPolarHBondContact O-CB 3.48Å; V121-N125 PolarHBondContact O-N 3.44Å; V121-N125 PolarHBondContact O-ND2 3.45Å; V121-F157 HydrophobicContact CG1-CB 4.09Å; V121-F157 WeakPolarHBondContact CG1-O 3.16Å; V121-T159 HydrophobicContact CB-CG2 4.43Å; V121-T159 HydrophobicContact CG2-CG2 4.02Å; V121-F164 HydrophobicContact CG2-CB 3.53Å; V121-F164 HydrophobicContact CG2-CD2 4.03Å; V121-F164 HydrophobicContact CG2-CG 3.79Å
122K91.6Very high93Very high77 Ų7761.7 Ų61.734%0.33531%0.312SS..Hα-helixtrans-61.2-44178.5-174.6-178.7-174174.90111.7A118 D119 R126 P525A118-K122 WeakPolarHBondContact O-CB 3.39Å; A118-K122 PolarHBondContact O-N 2.92Å; D119-K122 PolarHBondContact O-N 2.85Å; K122-R126 WeakPolarHBondContact O-CG 3.18Å; K122-R126 PolarHBondContact O-N 3.04Å; K122-P525 WeakPolarHBondContact CE-OXT 3.44Å; K122-P525 PolarHBondContact NZ-OXT 3.14Å
123S94.1Very high93.1Very high77 Ų7760.5 Ų60.554%0.53831%0.31SS..Hα-helixtrans-62.5-48.8177.2-178.50000111.3D119 L120 V121 R126 S127D119-S123 VanDerWaalsContact O-CB 3.28Å; D119-S123 WeakPolarHBondContact O-CB 3.46Å; D119-S123 PolarHBondContact O-N 3.27Å; L120-S123 PolarHBondContact O-N 2.89Å; V121-S123 PolarHBondContact O-N 3.2Å; S123-R126 CarbonylContact O-C 3.54Å; S123-R126 PolarHBondContact O-N 2.75Å; S123-R126 VanDerWaalsContact O-N 3.13Å; S123-S127 PolarHBondContact O-N 2.96Å
124W94.8Very high93.4Very high52 Ų5259.6 Ų59.620%0.19731%0.305CS..Hα-helixtrans-64.1-44.3179.8-92.785.5000113.2L120 V121 R126 S127 M130 F157 F164 L231 V232L120-W124 WeakPolarHBondContact O-CB 3.39Å; L120-W124 PolarHBondContact O-N 3.4Å; V121-W124 PolarHBondContact O-N 2.87Å; W124-R126 PolarHBondContact O-N 3.22Å; W124-S127 WeakPolarHBondContact O-CB 3.45Å; W124-S127 PolarHBondContact O-N 3.17Å; W124-S127 PolarHBondContact O-OG 2.8Å; W124-M130 WeakPolarHBondContact O-CG 3.12Å; W124-F157 HydrophobicContact CB-CD2 4.24Å; W124-F157 HydrophobicContact CE3-CE2 4.3Å; W124-F164 HydrophobicContact CB-CE1 3.95Å; W124-F164 HydrophobicContact CB-CE2 4.46Å; W124-F164 HydrophobicContact CB-CZ 3.68Å; W124-F164 AromaticContact CD1-CE1 3.21Å; W124-F164 AromaticContact CD1-CZ 3.75Å; W124-F164 AromaticContact CD2-CE1 3.78Å; W124-F164 HydrophobicContact CD2-CE1 3.78Å; W124-F164 AromaticContact CD2-CZ 3.58Å; W124-F164 HydrophobicContact CD2-CZ 3.58Å; W124-F164 AromaticContact CE2-CE1 3.85Å; W124-F164 HydrophobicContact CE3-CZ 4.11Å; W124-F164 HydrophobicContact CG-CD1 4.49Å; W124-F164 AromaticContact CG-CE1 3.36Å; W124-F164 HydrophobicContact CG-CE1 3.36Å; W124-F164 AromaticContact CG-CZ 3.36Å; W124-F164 HydrophobicContact CG-CZ 3.36Å; W124-F164 AromaticContact NE1-CE1 3.5Å; W124-L231 WeakPolarHBondContact CH2-O 3.2Å; W124-L231 HydrophobicContact CZ3-CG 4.29Å; W124-V232 HydrophobicContact CH2-CG1 3.99Å; W124-V232 HydrophobicContact CZ2-CG1 4.3Å; W124-V232 HydrophobicContact CZ3-CG1 4.15Å
125N93.3Very high93.6Very high44 Ų4461.2 Ų61.224%0.23532%0.322CS..Hα-helixtrans-61.7-23.9176-76.1-25000112.9V121 F157V121-N125 WeakPolarHBondContact CG1-ND2 3.45Å; V121-N125 WeakPolarHBondContact O-CB 3.48Å; V121-N125 PolarHBondContact O-N 3.44Å; V121-N125 PolarHBondContact O-ND2 3.45Å; N125-F157 PolarHBondContact ND2-O 3.37Å; N125-F157 WeakPolarHBondContact OD1-CD2 3.44Å; N125-F157 PolarHBondContact OD1-N 3.01Å
126R93.6Very high93.9Very high146 Ų14659.7 Ų59.755%0.55132%0.323SS*.Hα-helixtrans-96-4.7176.4-67.9177.6-179.6-172.51.1113.8K122 S123 W124 K131K122-R126 WeakPolarHBondContact O-CG 3.18Å; K122-R126 PolarHBondContact O-N 3.04Å; S123-R126 CarbonylContact O-C 3.54Å; S123-R126 PolarHBondContact O-N 2.75Å; S123-R126 VanDerWaalsContact O-N 3.13Å; W124-R126 PolarHBondContact O-N 3.22Å; R126-K131 WeakPolarHBondContact O-CE 3.13Å
127S94.9Very high94Very high28 Ų2861.5 Ų61.520%0.19633%0.333CS..SBendtrans-64.8157-174.672.30000113.1S123 W124 I129 M130 K131S123-S127 PolarHBondContact O-N 2.96Å; W124-S127 WeakPolarHBondContact O-CB 3.45Å; W124-S127 PolarHBondContact O-N 3.17Å; W124-S127 PolarHBondContact O-OG 2.8Å; S127-I129 VanDerWaalsContact C-N 3.27Å; S127-I129 PolarHBondContact O-N 2.95Å; S127-M130 PolarHBondContact O-N 2.86Å; S127-M130 PolarHBondContact OG-N 3.45Å; S127-K131 WeakPolarHBondContact O-CG 2.92Å; S127-K131 PolarHBondContact O-N 3.01Å
128C96Very high94Very high90 Ų9067.3 Ų67.361%0.60836%0.359SS*.Hα-helixtrans-61.6-38.7174.6-167.30000111.5M130 K131 I132C128-M130 PolarHBondContact O-N 3.42Å; C128-K131 WeakPolarHBondContact O-CB 3.37Å; C128-K131 PolarHBondContact O-N 2.73Å; C128-I132 WeakPolarHBondContact O-CG1 3.48Å; C128-I132 PolarHBondContact O-N 3.09Å
129I93.9Very high94.2Very high82 Ų8269.5 Ų69.542%0.42137%0.368SS..Hα-helixtrans-57.4-49.7177.9-65.8168.6000110.7S127 K131 I132 I133 L231S127-I129 VanDerWaalsContact C-N 3.27Å; S127-I129 PolarHBondContact O-N 2.95Å; I129-K131 VanDerWaalsContact C-N 3.35Å; I129-K131 PolarHBondContact O-N 3.02Å; I129-I132 WeakPolarHBondContact O-CB 3.42Å; I129-I132 PolarHBondContact O-N 3.3Å; I129-I133 HydrophobicContact CG2-CD1 3.98Å; I129-I133 WeakPolarHBondContact O-CG1 3.32Å; I129-I133 PolarHBondContact O-N 3.26Å; I129-L231 HydrophobicContact CG2-CD1 3.78Å
130M93.5Very high94.4Very high2 Ų264.5 Ų64.51%0.0134%0.344CS..Hα-helixtrans-63.6-39.2177.8-77.5-54.3-60.900112.6W124 S127 C128 I132 I133 H134 I155 F157W124-M130 WeakPolarHBondContact O-CG 3.12Å; S127-M130 PolarHBondContact O-N 2.86Å; S127-M130 PolarHBondContact OG-N 3.45Å; C128-M130 PolarHBondContact O-N 3.42Å; M130-I132 VanDerWaalsContact C-N 3.31Å; M130-I132 PolarHBondContact O-N 3.18Å; M130-I133 PolarHBondContact O-N 2.81Å; M130-I133 HydrophobicContact SD-CD1 4.06Å; M130-H134 WeakPolarHBondContact CE-NE2 3.49Å; M130-H134 WeakPolarHBondContact O-CB 3.17Å; M130-H134 VanDerWaalsContact O-CG 3.27Å; M130-H134 PolarHBondContact O-N 3.31Å; M130-I155 HydrophobicContact CE-CG2 3.9Å; M130-F157 HydrophobicContact CE-CE2 4.42Å; M130-F157 HydrophobicContact CG-CE2 4.26Å; M130-F157 HydrophobicContact SD-CD2 4.45Å; M130-F157 HydrophobicContact SD-CE2 3.67Å; M130-F157 HydrophobicContact SD-CZ 4.28Å
131K94.6Very high94.5Very high139 Ų13965.3 Ų65.360%0.60434%0.344SS*.Hα-helixtrans-61.5-39.6174.4-68174.8-174174.40112.1R126 S127 C128 I129 G135R126-K131 WeakPolarHBondContact O-CE 3.13Å; S127-K131 WeakPolarHBondContact O-CG 2.92Å; S127-K131 PolarHBondContact O-N 3.01Å; C128-K131 WeakPolarHBondContact O-CB 3.37Å; C128-K131 PolarHBondContact O-N 2.73Å; I129-K131 VanDerWaalsContact C-N 3.35Å; I129-K131 PolarHBondContact O-N 3.02Å; K131-G135 PolarHBondContact O-N 3.29Å
132I95.6Very high94.5Very high108 Ų10871.5 Ų71.555%0.55437%0.371SS*.Hα-helixtrans-65.4-47.4175.7-68.9165.1000110.3C128 I129 M130 H134 G135 A136C128-I132 WeakPolarHBondContact O-CG1 3.48Å; C128-I132 PolarHBondContact O-N 3.09Å; I129-I132 WeakPolarHBondContact O-CB 3.42Å; I129-I132 PolarHBondContact O-N 3.3Å; M130-I132 VanDerWaalsContact C-N 3.31Å; M130-I132 PolarHBondContact O-N 3.18Å; I132-H134 PolarHBondContact O-N 3.17Å; I132-G135 PolarHBondContact O-N 2.92Å; I132-A136 VanDerWaalsContact O-CB 3.31Å; I132-A136 WeakPolarHBondContact O-CB 3.49Å; I132-A136 PolarHBondContact O-N 3.42Å
133I93.8Very high94.7Very high35 Ų3574 Ų7418%0.17939%0.387CS..Hα-helixtrans-57.3-50.4177-69.5168.9000110I129 M130 G135 A136 M137 F227 L231I129-I133 HydrophobicContact CG2-CD1 3.98Å; I129-I133 WeakPolarHBondContact O-CG1 3.32Å; I129-I133 PolarHBondContact O-N 3.26Å; M130-I133 PolarHBondContact O-N 2.81Å; M130-I133 HydrophobicContact SD-CD1 4.06Å; I133-G135 PolarHBondContact O-N 3.08Å; I133-A136 PolarHBondContact O-N 2.8Å; I133-M137 HydrophobicContact CG2-CG 4.3Å; I133-M137 WeakPolarHBondContact O-CB 3.36Å; I133-M137 WeakPolarHBondContact O-CG 3.24Å; I133-M137 PolarHBondContact O-N 3.23Å; I133-F227 HydrophobicContact CD1-CZ 4.45Å; I133-L231 HydrophobicContact CD1-CD1 4.4Å; I133-L231 HydrophobicContact CD1-CD2 3.95Å
134H94.2Very high94.8Very high38 Ų3874.4 Ų74.418%0.17639%0.387CS..Hα-helixtrans-59.7-44.5178.1-67.8168.5000112.2M130 I132 K138 S153 I155M130-H134 WeakPolarHBondContact CE-NE2 3.49Å; M130-H134 WeakPolarHBondContact O-CB 3.17Å; M130-H134 VanDerWaalsContact O-CG 3.27Å; M130-H134 PolarHBondContact O-N 3.31Å; I132-H134 PolarHBondContact O-N 3.17Å; H134-K138 VanDerWaalsContact O-CG 3.3Å; H134-K138 WeakPolarHBondContact O-CG 3.06Å; H134-K138 PolarHBondContact O-N 3.16Å; H134-S153 PolarHBondContact CD2-O 2.85Å; H134-S153 VanDerWaalsContact CD2-O 3.26Å; H134-I155 PolarHBondContact CE1-O 3.32Å; H134-I155 PolarHBondContact NE2-O 3.05Å
135G95.5Very high94.6Very high34 Ų3479.8 Ų79.835%0.35141%0.407SS..Hα-helixtrans-62.1-50.2177.600000112.7K131 I132 I133 M137 K138 V139K131-G135 PolarHBondContact O-N 3.29Å; I132-G135 PolarHBondContact O-N 2.92Å; I133-G135 PolarHBondContact O-N 3.08Å; G135-M137 VanDerWaalsContact C-N 3.34Å; G135-M137 PolarHBondContact O-N 3.42Å; G135-K138 PolarHBondContact O-N 3.37Å; G135-V139 WeakPolarHBondContact O-CG2 3.47Å; G135-V139 PolarHBondContact O-N 3.34Å
136A95.3Very high94.5Very high48 Ų4881 Ų8140%0.39741%0.413SS..Hα-helixtrans-60.7-42.7178.800000111.7I132 I133 V139 A140I132-A136 VanDerWaalsContact O-CB 3.31Å; I132-A136 WeakPolarHBondContact O-CB 3.49Å; I132-A136 PolarHBondContact O-N 3.42Å; I133-A136 PolarHBondContact O-N 2.8Å; A136-V139 PolarHBondContact O-N 2.86Å; A136-A140 WeakPolarHBondContact O-CB 3.27Å; A136-A140 PolarHBondContact O-N 2.66Å
137M95.8Very high94.2Very high60 Ų6079.3 Ų79.330%0.29641%0.41SS..Hα-helixtrans-70.7-31.5178.8-67.1-58.310200112.7I133 G135 A140 Y141 S149 A152I133-M137 HydrophobicContact CG2-CG 4.3Å; I133-M137 WeakPolarHBondContact O-CB 3.36Å; I133-M137 WeakPolarHBondContact O-CG 3.24Å; I133-M137 PolarHBondContact O-N 3.23Å; G135-M137 VanDerWaalsContact C-N 3.34Å; G135-M137 PolarHBondContact O-N 3.42Å; M137-A140 HydrophobicContact CE-CB 4.49Å; M137-A140 PolarHBondContact O-N 2.86Å; M137-Y141 WeakPolarHBondContact O-CB 3.38Å; M137-Y141 PolarHBondContact O-N 3.29Å; M137-S149 WeakPolarHBondContact CB-O 3.42Å; M137-A152 HydrophobicContact CB-CB 4.24Å; M137-A152 HydrophobicContact CG-CB 3.78Å; M137-A152 HydrophobicContact SD-CB 4.08Å
138K94.8Very high93.9Very high122 Ų12284 Ų8453%0.5342%0.423SS..Hα-helixtrans-63.8-43.6169.3-76.4175.3-171177.50111.8H134 G135 Y141 F142H134-K138 VanDerWaalsContact O-CG 3.3Å; H134-K138 WeakPolarHBondContact O-CG 3.06Å; H134-K138 PolarHBondContact O-N 3.16Å; G135-K138 PolarHBondContact O-N 3.37Å; K138-Y141 PolarHBondContact O-N 3.03Å; K138-F142 WeakPolarHBondContact O-CB 3.34Å; K138-F142 PolarHBondContact O-N 3.23Å
139V95.8Very high93.6Very high84 Ų8480.6 Ų80.651%0.50940%0.4SS..Hα-helixtrans-64.1-46.1175.81740000110.2G135 A136 Y141 F142 L143G135-V139 WeakPolarHBondContact O-CG2 3.47Å; G135-V139 PolarHBondContact O-N 3.34Å; A136-V139 PolarHBondContact O-N 2.86Å; V139-Y141 VanDerWaalsContact C-N 3.33Å; V139-Y141 PolarHBondContact O-N 3.47Å; V139-F142 WeakPolarHBondContact O-CB 3.29Å; V139-F142 PolarHBondContact O-N 3.43Å; V139-F142 VanDerWaalsContact O-N 3.12Å; V139-L143 HydrophobicContact CG1-CD1 4Å; V139-L143 HydrophobicContact CG1-CG 4.45Å; V139-L143 WeakPolarHBondContact O-CG 3.22Å; V139-L143 PolarHBondContact O-N 2.77Å
140A94.9Very high93.4Very high25 Ų2578.7 Ų78.721%0.20739%0.391CS..Hα-helixtrans-57.2-46.8175.600000111.1A136 M137 F142 L143 T144A136-A140 WeakPolarHBondContact O-CB 3.27Å; A136-A140 PolarHBondContact O-N 2.66Å; M137-A140 HydrophobicContact CE-CB 4.49Å; M137-A140 PolarHBondContact O-N 2.86Å; A140-F142 PolarHBondContact O-N 2.97Å; A140-L143 PolarHBondContact O-N 2.87Å; A140-T144 WeakPolarHBondContact O-CB 3.24Å; A140-T144 WeakPolarHBondContact O-CG2 3.26Å; A140-T144 PolarHBondContact O-N 2.84Å; A140-T144 PolarHBondContact O-OG1 2.87Å
141Y94.2Very high93.1Very high69 Ų6979.6 Ų79.627%0.27140%0.398SS..Hα-helixtrans-61.3-41.3174.9173.9-118.1000112.7M137 K138 V139 L143 R145 D146 L150M137-Y141 WeakPolarHBondContact O-CB 3.38Å; M137-Y141 PolarHBondContact O-N 3.29Å; K138-Y141 PolarHBondContact O-N 3.03Å; V139-Y141 VanDerWaalsContact C-N 3.33Å; V139-Y141 PolarHBondContact O-N 3.47Å; Y141-L143 VanDerWaalsContact C-N 3.27Å; Y141-L143 PolarHBondContact O-N 3.42Å; Y141-R145 WeakPolarHBondContact O-CA 3.17Å; Y141-R145 PolarHBondContact O-N 3.11Å; Y141-D146 WeakPolarHBondContact CD2-O 3.43Å; Y141-L150 HydrophobicContact CD1-CB 4.16Å; Y141-L150 HydrophobicContact CD1-CD1 3.91Å; Y141-L150 HydrophobicContact CD1-CG 4.44Å; Y141-L150 HydrophobicContact CD2-CB 3.79Å; Y141-L150 HydrophobicContact CE1-CB 4.36Å; Y141-L150 HydrophobicContact CE1-CD1 3.99Å; Y141-L150 HydrophobicContact CE1-CD2 4.04Å; Y141-L150 HydrophobicContact CE1-CG 4.36Å; Y141-L150 HydrophobicContact CE2-CB 4Å; Y141-L150 HydrophobicContact CE2-CD2 4.26Å; Y141-L150 HydrophobicContact CG-CB 3.85Å; Y141-L150 HydrophobicContact CG-CD1 4.41Å
142F95.1Very high92.7Very high141 Ų14174.5 Ų74.562%0.61838%0.382SS*.Hα-helixtrans-59.2-41.2177.4177.6-98.6000111.7K138 V139 A140 R145K138-F142 WeakPolarHBondContact O-CB 3.34Å; K138-F142 PolarHBondContact O-N 3.23Å; V139-F142 WeakPolarHBondContact O-CB 3.29Å; V139-F142 PolarHBondContact O-N 3.43Å; V139-F142 VanDerWaalsContact O-N 3.12Å; A140-F142 PolarHBondContact O-N 2.97Å; F142-R145 PolarHBondContact O-NE 2.72Å
143L95.5Very high92.4Very high130 Ų13069.4 Ų69.468%0.68136%0.356SS*.Hα-helixtrans-76.8-42.8-179.6-64.9173.6000113.2V139 A140 Y141V139-L143 HydrophobicContact CG1-CD1 4Å; V139-L143 HydrophobicContact CG1-CG 4.45Å; V139-L143 WeakPolarHBondContact O-CG 3.22Å; V139-L143 PolarHBondContact O-N 2.77Å; A140-L143 PolarHBondContact O-N 2.87Å; Y141-L143 VanDerWaalsContact C-N 3.27Å; Y141-L143 PolarHBondContact O-N 3.42Å
144T95.1Very high92Very high86 Ų8671.8 Ų71.853%0.52837%0.369SS..Hα-helixtrans-99.2-21.1-171.868.20000114A140 D146A140-T144 WeakPolarHBondContact O-CB 3.24Å; A140-T144 WeakPolarHBondContact O-CG2 3.26Å; A140-T144 PolarHBondContact O-N 2.84Å; A140-T144 PolarHBondContact O-OG1 2.87Å; T144-D146 PolarHBondContact O-N 2.97Å; T144-D146 VanDerWaalsContact O-N 3.14Å; T144-D146 WeakPolarHBondContact OG1-CB 3.33Å; T144-D146 PolarHBondContact OG1-N 2.77Å; T144-D146 VanDerWaalsContact OG1-N 3.13Å
145R91.8Very high91.6Very high165 Ų16574.2 Ų74.262%0.62338%0.382SS*.  trans5520.2-167.7-56.7-61-178.1127.90.5114.1Y141 F142Y141-R145 WeakPolarHBondContact O-CA 3.17Å; Y141-R145 PolarHBondContact O-N 3.11Å; F142-R145 PolarHBondContact O-NE 2.72Å
146D90.3Very high91.2Very high69 Ų6976.9 Ų76.937%0.36939%0.391SS..  trans-76124.7177176.833.5000111.7Y141 T144 R148 S149 L150Y141-D146 WeakPolarHBondContact CD2-O 3.43Å; T144-D146 PolarHBondContact O-N 2.97Å; T144-D146 VanDerWaalsContact O-N 3.14Å; T144-D146 WeakPolarHBondContact OG1-CB 3.33Å; T144-D146 PolarHBondContact OG1-N 2.77Å; T144-D146 VanDerWaalsContact OG1-N 3.13Å; D146-R148 PolarHBondContact O-N 3.48Å; D146-R148 PolarHBondContact OD1-N 3.44Å; D146-R148 WeakPolarHBondContact OD2-CB 3.44Å; D146-S149 WeakPolarHBondContact O-CB 3.43Å; D146-S149 PolarHBondContact O-N 3.38Å; D146-L150 PolarHBondContact O-N 3.48Å
147K87.8Confident91Very high111 Ų11175.5 Ų75.548%0.48338%0.377SS..Hα-helixtrans-61.6-27.5-179-70.4-171.8178.2-176.40112.7L150 A151 T305K147-L150 WeakPolarHBondContact O-CB 3.39Å; K147-L150 PolarHBondContact O-N 2.86Å; K147-A151 PolarHBondContact O-N 2.82Å; K147-T305 HydrophobicContact CB-CG2 3.93Å; K147-T305 VanDerWaalsContact O-CG2 3.28Å; K147-T305 WeakPolarHBondContact O-CG2 3.3Å
148R88.7Confident90.7Very high127 Ų12774.4 Ų74.448%0.47938%0.375SS..Hα-helixtrans-67.4-39.6179.2-57.4-178.7179.2-178.80.3111.2D146 L150 A151 A152 Y220 T305D146-R148 PolarHBondContact O-N 3.48Å; D146-R148 PolarHBondContact OD1-N 3.44Å; D146-R148 WeakPolarHBondContact OD2-CB 3.44Å; R148-L150 VanDerWaalsContact C-N 3.29Å; R148-L150 PolarHBondContact O-N 2.87Å; R148-A151 PolarHBondContact O-N 3.05Å; R148-A152 VanDerWaalsContact O-CB 3.32Å; R148-A152 WeakPolarHBondContact O-CB 3.48Å; R148-A152 PolarHBondContact O-N 3.45Å; R148-Y220 HydrophobicContact CG-CE1 4.27Å; R148-Y220 VanDerWaalsContact NE-CE1 3.27Å; R148-Y220 VanDerWaalsContact NH2-CD1 3.28Å; R148-T305 HydrophobicContact CG-CG2 4.23Å
149S89.8Confident90.3Very high17 Ų1769.3 Ų69.312%0.11935%0.354CS..Hα-helixtrans-60.3-40170.8-58.30000111.6M137 D146 S153M137-S149 WeakPolarHBondContact CB-O 3.42Å; D146-S149 WeakPolarHBondContact O-CB 3.43Å; D146-S149 PolarHBondContact O-N 3.38Å; S149-S153 WeakPolarHBondContact O-CB 3.42Å; S149-S153 PolarHBondContact O-N 3.5Å
150L89.9Confident89.9Confident43 Ų4368.9 Ų68.923%0.22535%0.346CS..Hα-helixtrans-63.8-47.3175.1-17859.4000111.7Y141 D146 K147 R148 S153 L154 V307Y141-L150 HydrophobicContact CD1-CB 4.16Å; Y141-L150 HydrophobicContact CD1-CD1 3.91Å; Y141-L150 HydrophobicContact CD1-CG 4.44Å; Y141-L150 HydrophobicContact CD2-CB 3.79Å; Y141-L150 HydrophobicContact CE1-CB 4.36Å; Y141-L150 HydrophobicContact CE1-CD1 3.99Å; Y141-L150 HydrophobicContact CE1-CD2 4.04Å; Y141-L150 HydrophobicContact CE1-CG 4.36Å; Y141-L150 HydrophobicContact CE2-CB 4Å; Y141-L150 HydrophobicContact CE2-CD2 4.26Å; Y141-L150 HydrophobicContact CG-CB 3.85Å; Y141-L150 HydrophobicContact CG-CD1 4.41Å; D146-L150 PolarHBondContact O-N 3.48Å; K147-L150 WeakPolarHBondContact O-CB 3.39Å; K147-L150 PolarHBondContact O-N 2.86Å; R148-L150 VanDerWaalsContact C-N 3.29Å; R148-L150 PolarHBondContact O-N 2.87Å; L150-S153 WeakPolarHBondContact O-CB 3.23Å; L150-S153 PolarHBondContact O-N 3.29Å; L150-S153 VanDerWaalsContact O-N 3.11Å; L150-S153 PolarHBondContact O-OG 2.82Å; L150-L154 WeakPolarHBondContact O-CG 3.28Å; L150-L154 PolarHBondContact O-N 2.97Å; L150-V307 HydrophobicContact CB-CG1 4.43Å; L150-V307 HydrophobicContact CD2-CG1 3.97Å; L150-V307 HydrophobicContact CG-CG1 3.93Å
151A87Confident89.8Confident20 Ų2069.2 Ų69.217%0.16534%0.344CS..Hα-helixtrans-61.2-45.1177.200000112.3K147 R148 S153 L154 I155 T305 S306 V307K147-A151 PolarHBondContact O-N 2.82Å; R148-A151 PolarHBondContact O-N 3.05Å; A151-S153 PolarHBondContact O-N 3.23Å; A151-L154 PolarHBondContact O-N 2.84Å; A151-I155 PolarHBondContact O-N 3.27Å; A151-T305 HydrophobicContact CB-CG2 3.54Å; A151-S306 WeakPolarHBondContact CB-O 3.32Å; A151-V307 HydrophobicContact CB-CG1 4.26Å
152A86.8Confident90Very high32 Ų3266 Ų6626%0.26433%0.331SS..Hα-helixtrans-60.7-28.9175.300000112.2M137 R148 L154 I155M137-A152 HydrophobicContact CB-CB 4.24Å; M137-A152 HydrophobicContact CG-CB 3.78Å; M137-A152 HydrophobicContact SD-CB 4.08Å; R148-A152 VanDerWaalsContact O-CB 3.32Å; R148-A152 WeakPolarHBondContact O-CB 3.48Å; R148-A152 PolarHBondContact O-N 3.45Å; A152-L154 PolarHBondContact O-N 2.87Å; A152-I155 VanDerWaalsContact O-CG2 3.24Å; A152-I155 WeakPolarHBondContact O-CG2 3.41Å
153S87.6Confident90Very high2 Ų259.3 Ų59.31%0.01430%0.302CS..THydrogen-bonded Turntrans-74.9-11.2175.183.10000115.2H134 S149 L150 A151H134-S153 PolarHBondContact CD2-O 2.85Å; H134-S153 VanDerWaalsContact CD2-O 3.26Å; S149-S153 WeakPolarHBondContact O-CB 3.42Å; S149-S153 PolarHBondContact O-N 3.5Å; L150-S153 WeakPolarHBondContact O-CB 3.23Å; L150-S153 PolarHBondContact O-N 3.29Å; L150-S153 VanDerWaalsContact O-N 3.11Å; L150-S153 PolarHBondContact O-OG 2.82Å; A151-S153 PolarHBondContact O-N 3.23Å
154L86.6Confident90.1Very high85 Ų8553.1 Ų53.145%0.44527%0.269SS..THydrogen-bonded Turntrans-112.5-2.2-179.4-60.4173.9000112.3L150 A151 A152 V156 V307L150-L154 WeakPolarHBondContact O-CG 3.28Å; L150-L154 PolarHBondContact O-N 2.97Å; A151-L154 PolarHBondContact O-N 2.84Å; A152-L154 PolarHBondContact O-N 2.87Å; L154-V156 PolarHBondContact O-N 2.95Å; L154-V307 HydrophobicContact CD1-CB 4.06Å; L154-V307 HydrophobicContact CD1-CG1 4.38Å
155I85.7Confident90.2Very high89 Ų8949 Ų4946%0.45624%0.244SC..  trans-63.7134.5-174.1-161.4171.7000110.9M130 H134 A151 A152M130-I155 HydrophobicContact CE-CG2 3.9Å; H134-I155 PolarHBondContact CE1-O 3.32Å; H134-I155 PolarHBondContact NE2-O 3.05Å; A151-I155 PolarHBondContact O-N 3.27Å; A152-I155 VanDerWaalsContact O-CG2 3.24Å; A152-I155 WeakPolarHBondContact O-CG2 3.41Å
156V87Confident90.4Very high89 Ų8941.2 Ų41.254%0.53922%0.215SC..  trans-132.1145.3174.4-67.40000109.2L154L154-V156 PolarHBondContact O-N 2.95Å
157F90.9Very high90.8Very high20 Ų2039.2 Ų39.29%0.08820%0.204CC..  trans-77.2150.3170.9-61.7-62.1000110.7V121 W124 N125 M130 F164 L228V121-F157 HydrophobicContact CG1-CB 4.09Å; V121-F157 WeakPolarHBondContact CG1-O 3.16Å; W124-F157 HydrophobicContact CB-CD2 4.24Å; W124-F157 HydrophobicContact CE3-CE2 4.3Å; N125-F157 PolarHBondContact ND2-O 3.37Å; N125-F157 WeakPolarHBondContact OD1-CD2 3.44Å; N125-F157 PolarHBondContact OD1-N 3.01Å; M130-F157 HydrophobicContact CE-CE2 4.42Å; M130-F157 HydrophobicContact CG-CE2 4.26Å; M130-F157 HydrophobicContact SD-CD2 4.45Å; M130-F157 HydrophobicContact SD-CE2 3.67Å; M130-F157 HydrophobicContact SD-CZ 4.28Å; F157-F164 HydrophobicContact CB-CD2 3.77Å; F157-F164 HydrophobicContact CB-CE2 3.68Å; F157-F164 HydrophobicContact CD1-CD2 4.02Å; F157-F164 AromaticContact CD1-CE2 3.48Å; F157-F164 HydrophobicContact CD1-CE2 3.48Å; F157-F164 VanDerWaalsContact CD1-CE2 3.48Å; F157-F164 HydrophobicContact CD2-CD2 4.3Å; F157-F164 AromaticContact CD2-CE2 3.35Å; F157-F164 HydrophobicContact CD2-CE2 3.35Å; F157-F164 AromaticContact CD2-CZ 3.86Å; F157-F164 HydrophobicContact CD2-CZ 3.86Å; F157-F164 AromaticContact CE1-CE2 3.83Å; F157-F164 HydrophobicContact CE1-CE2 3.83Å; F157-F164 AromaticContact CE2-CE2 3.7Å; F157-F164 HydrophobicContact CE2-CE2 3.7Å; F157-F164 AromaticContact CE2-CZ 3.96Å; F157-F164 HydrophobicContact CE2-CZ 3.96Å; F157-F164 AromaticContact CG-CD2 3.79Å; F157-F164 HydrophobicContact CG-CD2 3.79Å; F157-F164 AromaticContact CG-CE2 3.21Å; F157-F164 HydrophobicContact CG-CE2 3.21Å; F157-F164 HydrophobicContact CG-CZ 4.18Å; F157-F164 AromaticContact CZ-CE2 3.92Å; F157-F164 HydrophobicContact CZ-CE2 3.92Å; F157-F164 HydrophobicContact CZ-CZ 4.37Å; F157-L228 HydrophobicContact CE1-CD1 3.88Å; F157-L228 HydrophobicContact CZ-CD1 3.95Å
158S88.9Confident91.2Very high36 Ų3636 Ų3625%0.25219%0.189SC..  trans-136.7148-178.8176.60000109.2Q160 H161S158-Q160 PolarHBondContact O-N 3.1Å; S158-Q160 PolarHBondContact OG-N 3.39Å; S158-H161 PolarHBondContact O-N 2.77Å
159T87.8Confident91.6Very high16 Ų1630 Ų3010%0.09817%0.166CC..THydrogen-bonded Turntrans-67.2-21.1173.147.30000112.5Q115 A118 V121 H161 R165Q115-T159 PolarHBondContact NE2-OG1 3.08Å; Q115-T159 PolarHBondContact OE1-OG1 2.76Å; A118-T159 HydrophobicContact CB-CG2 4.05Å; V121-T159 HydrophobicContact CB-CG2 4.43Å; V121-T159 HydrophobicContact CG2-CG2 4.02Å; T159-H161 VanDerWaalsContact C-N 3.25Å; T159-H161 PolarHBondContact O-N 3.42Å; T159-R165 PolarHBondContact O-NE 2.73Å
160Q87.5Confident91.9Very high74 Ų7430.6 Ų30.635%0.34617%0.167SC..THydrogen-bonded Turntrans-63.6-32.7174.1-64.7-179.4-3.200111.8A93 S158 R165A93-Q160 WeakPolarHBondContact CB-O 3.43Å; S158-Q160 PolarHBondContact O-N 3.1Å; S158-Q160 PolarHBondContact OG-N 3.39Å; Q160-R165 PolarHBondContact O-NH2 3.35Å
161H92.4Very high92.1Very high33 Ų3332.2 Ų32.215%0.15319%0.187CC..SBendtrans-75.1155.8174.9-59.1145.8000111.6S158 T159 R165 Y311S158-H161 PolarHBondContact O-N 2.77Å; T159-H161 VanDerWaalsContact C-N 3.25Å; T159-H161 PolarHBondContact O-N 3.42Å; H161-R165 PolarHBondContact O-NE 3.44Å; H161-R165 PolarHBondContact O-NH2 2.73Å; H161-Y311 AromaticContact CE1-CE2 3.69Å; H161-Y311 AromaticContact NE2-CE2 3.34Å; H161-Y311 VanDerWaalsContact NE2-CE2 3.34Å; H161-Y311 WeakPolarHBondContact NE2-CE2 3.45Å; H161-Y311 AromaticContact NE2-CZ 3.46Å
162V96.9Very high92.5Very high0 Ų036.4 Ų36.40%020%0.203CC..Hα-helixtrans-72.4-33.8179.5173.40000111.5A93 F95 F164 R165 L166 F187 T214 I216A93-V162 HydrophobicContact CB-CG2 3.98Å; A93-V162 WeakPolarHBondContact O-CG2 3.16Å; F95-V162 HydrophobicContact CB-CG1 4.49Å; F95-V162 HydrophobicContact CD1-CB 4.35Å; F95-V162 HydrophobicContact CD1-CG1 3.68Å; F95-V162 HydrophobicContact CD1-CG2 4.03Å; F95-V162 HydrophobicContact CD2-CG1 4.36Å; F95-V162 HydrophobicContact CE1-CG1 3.94Å; F95-V162 HydrophobicContact CG-CG1 3.91Å; F95-V162 HydrophobicContact CZ-CG1 4.38Å; V162-F164 PolarHBondContact O-N 2.83Å; V162-F164 VanDerWaalsContact O-N 3.12Å; V162-R165 PolarHBondContact O-N 3.39Å; V162-L166 HydrophobicContact CG1-CB 4.03Å; V162-L166 PolarHBondContact O-N 3.48Å; V162-F187 HydrophobicContact CG1-CE2 3.58Å; V162-F187 HydrophobicContact CG1-CZ 3.68Å; V162-T214 WeakPolarHBondContact CB-O 3.37Å; V162-T214 HydrophobicContact CG2-CG2 4.31Å; V162-T214 PolarHBondContact N-O 3.46Å; V162-I216 HydrophobicContact CG1-CD1 4.31Å
163T95.8Very high92.9Very high1 Ų137.5 Ų37.51%0.00620%0.201CC..Hα-helixtrans-39.6-58.7-169.3-43.80000113.9I167 G215 I216 L228 V232 L234T163-I167 HydrophobicContact CG2-CD1 4.32Å; T163-I167 WeakPolarHBondContact O-CD1 3.44Å; T163-I167 VanDerWaalsContact O-CG1 3.26Å; T163-I167 WeakPolarHBondContact O-CG1 3.44Å; T163-I167 PolarHBondContact O-N 2.75Å; T163-I167 VanDerWaalsContact O-N 3.11Å; T163-G215 PolarHBondContact OG1-O 3.16Å; T163-G215 VanDerWaalsContact OG1-O 3.12Å; T163-I216 HydrophobicContact CG2-CG1 4.23Å; T163-I216 VanDerWaalsContact OG1-CG1 3.32Å; T163-I216 WeakPolarHBondContact OG1-CG1 3.43Å; T163-L228 HydrophobicContact CG2-CD2 4.32Å; T163-L228 HydrophobicContact CG2-CG 4.49Å; T163-V232 HydrophobicContact CG2-CG2 4.22Å; T163-L234 HydrophobicContact CG2-CD1 4.37Å
164F96.8Very high93.3Very high1 Ų145.9 Ų45.90%0.00424%0.237CC..Hα-helixtrans-83.6-23.3-175-81.4-76.9000114.8A117 L120 V121 W124 F157 V162 L166 I167 W168 V232A117-F164 HydrophobicContact CB-CB 4.09Å; A117-F164 WeakPolarHBondContact CB-O 3.36Å; L120-F164 HydrophobicContact CB-CD1 4.44Å; L120-F164 HydrophobicContact CD2-CD1 3.63Å; L120-F164 HydrophobicContact CD2-CE1 4.37Å; L120-F164 HydrophobicContact CG-CD1 3.57Å; L120-F164 HydrophobicContact CG-CE1 4.08Å; V121-F164 HydrophobicContact CG2-CB 3.53Å; V121-F164 HydrophobicContact CG2-CD2 4.03Å; V121-F164 HydrophobicContact CG2-CG 3.79Å; W124-F164 HydrophobicContact CB-CE1 3.95Å; W124-F164 HydrophobicContact CB-CE2 4.46Å; W124-F164 HydrophobicContact CB-CZ 3.68Å; W124-F164 AromaticContact CD1-CE1 3.21Å; W124-F164 AromaticContact CD1-CZ 3.75Å; W124-F164 AromaticContact CD2-CE1 3.78Å; W124-F164 HydrophobicContact CD2-CE1 3.78Å; W124-F164 AromaticContact CD2-CZ 3.58Å; W124-F164 HydrophobicContact CD2-CZ 3.58Å; W124-F164 AromaticContact CE2-CE1 3.85Å; W124-F164 HydrophobicContact CE3-CZ 4.11Å; W124-F164 HydrophobicContact CG-CD1 4.49Å; W124-F164 AromaticContact CG-CE1 3.36Å; W124-F164 HydrophobicContact CG-CE1 3.36Å; W124-F164 AromaticContact CG-CZ 3.36Å; W124-F164 HydrophobicContact CG-CZ 3.36Å; W124-F164 AromaticContact NE1-CE1 3.5Å; F157-F164 HydrophobicContact CB-CD2 3.77Å; F157-F164 HydrophobicContact CB-CE2 3.68Å; F157-F164 HydrophobicContact CD1-CD2 4.02Å; F157-F164 AromaticContact CD1-CE2 3.48Å; F157-F164 HydrophobicContact CD1-CE2 3.48Å; F157-F164 VanDerWaalsContact CD1-CE2 3.48Å; F157-F164 HydrophobicContact CD2-CD2 4.3Å; F157-F164 AromaticContact CD2-CE2 3.35Å; F157-F164 HydrophobicContact CD2-CE2 3.35Å; F157-F164 AromaticContact CD2-CZ 3.86Å; F157-F164 HydrophobicContact CD2-CZ 3.86Å; F157-F164 AromaticContact CE1-CE2 3.83Å; F157-F164 HydrophobicContact CE1-CE2 3.83Å; F157-F164 AromaticContact CE2-CE2 3.7Å; F157-F164 HydrophobicContact CE2-CE2 3.7Å; F157-F164 AromaticContact CE2-CZ 3.96Å; F157-F164 HydrophobicContact CE2-CZ 3.96Å; F157-F164 AromaticContact CG-CD2 3.79Å; F157-F164 HydrophobicContact CG-CD2 3.79Å; F157-F164 AromaticContact CG-CE2 3.21Å; F157-F164 HydrophobicContact CG-CE2 3.21Å; F157-F164 HydrophobicContact CG-CZ 4.18Å; F157-F164 AromaticContact CZ-CE2 3.92Å; F157-F164 HydrophobicContact CZ-CE2 3.92Å; F157-F164 HydrophobicContact CZ-CZ 4.37Å; V162-F164 PolarHBondContact O-N 2.83Å; V162-F164 VanDerWaalsContact O-N 3.12Å; F164-L166 VanDerWaalsContact C-N 3.34Å; F164-I167 HydrophobicContact CD1-CD1 3.54Å; F164-I167 HydrophobicContact CE1-CD1 3.51Å; F164-I167 HydrophobicContact CE2-CD1 4.49Å; F164-I167 HydrophobicContact CG-CD1 4.11Å; F164-I167 HydrophobicContact CZ-CD1 4.04Å; F164-W168 WeakPolarHBondContact O-CB 3.33Å; F164-W168 PolarHBondContact O-N 2.76Å; F164-V232 HydrophobicContact CZ-CG1 4.04Å
165R97.4Very high93.8Very high0 Ų047.1 Ų47.10%024%0.241CC..Hα-helixtrans-69-36.4170-69.4-175.6-75.71272.1110.7A93 F95 I110 S111 A117 T159 Q160 H161 V162 W168 V169A93-R165 VanDerWaalsContact O-CZ 3.32Å; A93-R165 PolarHBondContact O-NH1 2.85Å; A93-R165 PolarHBondContact O-NH2 3Å; F95-R165 HydrophobicContact CE1-CB 3.56Å; F95-R165 HydrophobicContact CZ-CB 3.89Å; I110-R165 HydrophobicContact CG2-CB 4.43Å; I110-R165 PolarHBondContact O-NH1 2.95Å; S111-R165 VanDerWaalsContact C-NH1 3.28Å; S111-R165 PolarHBondContact O-NH1 3.4Å; A117-R165 HydrophobicContact CB-CG 3.96Å; T159-R165 PolarHBondContact O-NE 2.73Å; Q160-R165 PolarHBondContact O-NH2 3.35Å; H161-R165 PolarHBondContact O-NE 3.44Å; H161-R165 PolarHBondContact O-NH2 2.73Å; V162-R165 PolarHBondContact O-N 3.39Å; R165-W168 WeakPolarHBondContact O-CB 3.38Å; R165-W168 PolarHBondContact O-N 3.39Å; R165-V169 WeakPolarHBondContact O-CG2 3.48Å; R165-V169 PolarHBondContact O-N 3.4Å
166L97.8Very high94.3Very high0 Ų042.9 Ų42.90%022%0.219CC..Hα-helixtrans-69.9-42.6174-178.759000112.1F95 T97 V162 F164 W168 V169 L170 F187 I216 L234 I238 F239F95-L166 HydrophobicContact CD2-CD1 4.49Å; F95-L166 HydrophobicContact CE2-CB 4.17Å; F95-L166 HydrophobicContact CE2-CD1 3.86Å; F95-L166 HydrophobicContact CZ-CB 4.15Å; T97-L166 HydrophobicContact CG2-CD1 4Å; V162-L166 HydrophobicContact CG1-CB 4.03Å; V162-L166 PolarHBondContact O-N 3.48Å; F164-L166 VanDerWaalsContact C-N 3.34Å; L166-W168 VanDerWaalsContact C-N 3.25Å; L166-W168 PolarHBondContact O-N 3.15Å; L166-V169 WeakPolarHBondContact O-CB 3.33Å; L166-V169 PolarHBondContact O-N 3.22Å; L166-V169 VanDerWaalsContact O-N 3.09Å; L166-L170 WeakPolarHBondContact O-CG 3.38Å; L166-L170 PolarHBondContact O-N 2.92Å; L166-F187 HydrophobicContact CD1-CD2 3.95Å; L166-F187 HydrophobicContact CD1-CE2 4.43Å; L166-F187 HydrophobicContact CD2-CD2 3.81Å; L166-F187 HydrophobicContact CD2-CE2 3.99Å; L166-F187 HydrophobicContact CD2-CG 4.43Å; L166-F187 HydrophobicContact CG-CD2 4.48Å; L166-I216 HydrophobicContact CD2-CD1 4.3Å; L166-L234 HydrophobicContact CD2-CD1 4.33Å; L166-L234 HydrophobicContact CD2-CD2 4.04Å; L166-L234 HydrophobicContact CG-CD2 4.01Å; L166-I238 HydrophobicContact CD2-CD1 4.14Å; L166-F239 HydrophobicContact CD2-CE1 4.16Å; L166-F239 HydrophobicContact CD2-CZ 4.1Å
167I96.9Very high94.7Very high27 Ų2743.1 Ų43.114%0.13821%0.214CC..Hα-helixtrans-58.7-41.7173.7-65.1159.6000110.6L120 T163 F164 V169 L170 A171 V232 L234L120-I167 HydrophobicContact CD2-CB 4.22Å; L120-I167 HydrophobicContact CD2-CG2 3.85Å; T163-I167 HydrophobicContact CG2-CD1 4.32Å; T163-I167 WeakPolarHBondContact O-CD1 3.44Å; T163-I167 VanDerWaalsContact O-CG1 3.26Å; T163-I167 WeakPolarHBondContact O-CG1 3.44Å; T163-I167 PolarHBondContact O-N 2.75Å; T163-I167 VanDerWaalsContact O-N 3.11Å; F164-I167 HydrophobicContact CD1-CD1 3.54Å; F164-I167 HydrophobicContact CE1-CD1 3.51Å; F164-I167 HydrophobicContact CE2-CD1 4.49Å; F164-I167 HydrophobicContact CG-CD1 4.11Å; F164-I167 HydrophobicContact CZ-CD1 4.04Å; I167-V169 VanDerWaalsContact C-N 3.34Å; I167-V169 PolarHBondContact O-N 3.02Å; I167-L170 PolarHBondContact O-N 3.39Å; I167-A171 PolarHBondContact O-N 2.93Å; I167-A171 VanDerWaalsContact O-N 3.11Å; I167-V232 HydrophobicContact CD1-CB 3.56Å; I167-V232 HydrophobicContact CD1-CG1 3.98Å; I167-V232 HydrophobicContact CD1-CG2 3.9Å; I167-V232 HydrophobicContact CG1-CB 4.37Å; I167-V232 HydrophobicContact CG1-CG2 4.49Å; I167-L234 HydrophobicContact CG1-CD1 4.41Å; I167-L234 HydrophobicContact CG1-CD2 3.87Å; I167-L234 HydrophobicContact CG1-CG 4.19Å
168W97Very high94.9Very high45 Ų4547.2 Ų47.217%0.1723%0.233CC..Hα-helixtrans-58.4-46.7174.3-172.6101.5000111.2R116 A117 F164 R165 L166 L170 A171 H172 Y173R116-W168 VanDerWaalsContact CD-CE3 3.43Å; R116-W168 HydrophobicContact CG-CD2 3.89Å; R116-W168 HydrophobicContact CG-CE3 4.24Å; R116-W168 HydrophobicContact CG-CG 4.05Å; A117-W168 HydrophobicContact CB-CB 4.48Å; F164-W168 WeakPolarHBondContact O-CB 3.33Å; F164-W168 PolarHBondContact O-N 2.76Å; R165-W168 WeakPolarHBondContact O-CB 3.38Å; R165-W168 PolarHBondContact O-N 3.39Å; L166-W168 VanDerWaalsContact C-N 3.25Å; L166-W168 PolarHBondContact O-N 3.15Å; W168-L170 VanDerWaalsContact C-N 3.33Å; W168-L170 PolarHBondContact O-N 3.3Å; W168-A171 PolarHBondContact O-N 2.75Å; W168-A171 VanDerWaalsContact O-N 3.13Å; W168-H172 AromaticContact CD1-CE1 3.47Å; W168-H172 VanDerWaalsContact CD1-CE1 3.47Å; W168-H172 AromaticContact CD1-ND1 3.81Å; W168-H172 HydrophobicContact CD2-CB 4.44Å; W168-H172 AromaticContact CD2-CE1 3.83Å; W168-H172 AromaticContact CD2-CG 3.91Å; W168-H172 AromaticContact CD2-ND1 3.44Å; W168-H172 AromaticContact CE2-CD2 3.81Å; W168-H172 AromaticContact CE2-CE1 3.44Å; W168-H172 VanDerWaalsContact CE2-CE1 3.44Å; W168-H172 AromaticContact CE2-CG 3.67Å; W168-H172 AromaticContact CE2-ND1 3.43Å; W168-H172 AromaticContact CE2-NE2 3.69Å; W168-H172 HydrophobicContact CE3-CB 4.15Å; W168-H172 AromaticContact CE3-ND1 3.97Å; W168-H172 AromaticContact CG-CE1 3.83Å; W168-H172 AromaticContact CG-ND1 3.69Å; W168-H172 HydrophobicContact CH2-CB 3.91Å; W168-H172 AromaticContact CH2-CG 3.87Å; W168-H172 HydrophobicContact CZ2-CB 4.23Å; W168-H172 AromaticContact CZ2-CD2 3.6Å; W168-H172 AromaticContact CZ2-CG 3.66Å; W168-H172 AromaticContact CZ2-ND1 3.94Å; W168-H172 AromaticContact CZ2-NE2 3.87Å; W168-H172 HydrophobicContact CZ3-CB 3.86Å; W168-H172 AromaticContact NE1-CE1 3.22Å; W168-H172 PolarHBondContact NE1-CE1 3.04Å; W168-H172 AromaticContact NE1-ND1 3.66Å; W168-H172 AromaticContact NE1-NE2 3.57Å; W168-H172 PolarHBondContact O-N 2.93Å; W168-H172 VanDerWaalsContact O-N 3.09Å; W168-H172 PolarHBondContact O-ND1 3.35Å; W168-Y173 HydrophobicContact CZ3-CD2 4.43Å; W168-Y173 AromaticContact CZ3-CE2 3.78Å; W168-Y173 HydrophobicContact CZ3-CE2 3.78Å
169V97.3Very high95.3Very high0 Ų045.8 Ų45.80%022%0.223CC..Hα-helixtrans-55.5-47.2176.2161.50000111.6F95 H107 I110 R165 L166 I167 A171 H172 Y173 V176F95-V169 HydrophobicContact CE2-CG2 4.18Å; F95-V169 HydrophobicContact CZ-CG2 4.13Å; H107-V169 WeakPolarHBondContact NE2-CG1 3.43Å; I110-V169 HydrophobicContact CD1-CG2 3.31Å; R165-V169 WeakPolarHBondContact O-CG2 3.48Å; R165-V169 PolarHBondContact O-N 3.4Å; L166-V169 WeakPolarHBondContact O-CB 3.33Å; L166-V169 PolarHBondContact O-N 3.22Å; L166-V169 VanDerWaalsContact O-N 3.09Å; I167-V169 VanDerWaalsContact C-N 3.34Å; I167-V169 PolarHBondContact O-N 3.02Å; V169-A171 VanDerWaalsContact C-N 3.25Å; V169-A171 PolarHBondContact O-N 2.84Å; V169-H172 PolarHBondContact O-N 2.92Å; V169-Y173 HydrophobicContact CB-CD2 4.17Å; V169-Y173 HydrophobicContact CG1-CD2 3.88Å; V169-Y173 HydrophobicContact CG2-CD2 4.16Å; V169-Y173 HydrophobicContact CG2-CE2 4.17Å; V169-Y173 PolarHBondContact O-N 2.81Å; V169-V176 HydrophobicContact CG1-CB 4.44Å; V169-V176 HydrophobicContact CG1-CG1 4.21Å; V169-V176 HydrophobicContact CG1-CG2 4Å
170L95Very high95.7Very high29 Ų2946.6 Ų46.615%0.15223%0.227CC..Hα-helixtrans-62.6-32.1179.9-64.2-177.6000113.3L166 I167 W168 V176 I180 L234L166-L170 WeakPolarHBondContact O-CG 3.38Å; L166-L170 PolarHBondContact O-N 2.92Å; I167-L170 PolarHBondContact O-N 3.39Å; W168-L170 VanDerWaalsContact C-N 3.33Å; W168-L170 PolarHBondContact O-N 3.3Å; L170-V176 HydrophobicContact CD2-CG1 3.66Å; L170-I180 HydrophobicContact CD2-CD1 3.22Å; L170-L234 HydrophobicContact CD1-CD2 3.47Å; L170-L234 VanDerWaalsContact CD1-CD2 3.47Å
171A94.5Very high96.1Very high78 Ų7849.8 Ų49.865%0.64524%0.242SC*.Hα-helixtrans-79.5-25.2178.400000113.3I167 W168 V169I167-A171 PolarHBondContact O-N 2.93Å; I167-A171 VanDerWaalsContact O-N 3.11Å; W168-A171 PolarHBondContact O-N 2.75Å; W168-A171 VanDerWaalsContact O-N 3.13Å; V169-A171 VanDerWaalsContact C-N 3.25Å; V169-A171 PolarHBondContact O-N 2.84Å
172H95.1Very high96.3Very high107 Ų10752.9 Ų52.950%0.49526%0.256SS..Hα-helixtrans-108.5-31.4-170.8-66.277.5000113.9W168 V169W168-H172 AromaticContact CD1-CE1 3.47Å; W168-H172 VanDerWaalsContact CD1-CE1 3.47Å; W168-H172 AromaticContact CD1-ND1 3.81Å; W168-H172 HydrophobicContact CD2-CB 4.44Å; W168-H172 AromaticContact CD2-CE1 3.83Å; W168-H172 AromaticContact CD2-CG 3.91Å; W168-H172 AromaticContact CD2-ND1 3.44Å; W168-H172 AromaticContact CE2-CD2 3.81Å; W168-H172 AromaticContact CE2-CE1 3.44Å; W168-H172 VanDerWaalsContact CE2-CE1 3.44Å; W168-H172 AromaticContact CE2-CG 3.67Å; W168-H172 AromaticContact CE2-ND1 3.43Å; W168-H172 AromaticContact CE2-NE2 3.69Å; W168-H172 HydrophobicContact CE3-CB 4.15Å; W168-H172 AromaticContact CE3-ND1 3.97Å; W168-H172 AromaticContact CG-CE1 3.83Å; W168-H172 AromaticContact CG-ND1 3.69Å; W168-H172 HydrophobicContact CH2-CB 3.91Å; W168-H172 AromaticContact CH2-CG 3.87Å; W168-H172 HydrophobicContact CZ2-CB 4.23Å; W168-H172 AromaticContact CZ2-CD2 3.6Å; W168-H172 AromaticContact CZ2-CG 3.66Å; W168-H172 AromaticContact CZ2-ND1 3.94Å; W168-H172 AromaticContact CZ2-NE2 3.87Å; W168-H172 HydrophobicContact CZ3-CB 3.86Å; W168-H172 AromaticContact NE1-CE1 3.22Å; W168-H172 PolarHBondContact NE1-CE1 3.04Å; W168-H172 AromaticContact NE1-ND1 3.66Å; W168-H172 AromaticContact NE1-NE2 3.57Å; W168-H172 PolarHBondContact O-N 2.93Å; W168-H172 VanDerWaalsContact O-N 3.09Å; W168-H172 PolarHBondContact O-ND1 3.35Å; V169-H172 PolarHBondContact O-N 2.92Å
173Y96.1Very high96.2Very high56 Ų5655.2 Ų55.222%0.2228%0.28CS..  trans-100.998.4-179.7-65.6-71.3000111.6H107 W168 V169 Q175 V176 H177H107-Y173 HydrophobicContact CB-CD2 4.41Å; H107-Y173 HydrophobicContact CB-CE1 4.13Å; H107-Y173 HydrophobicContact CB-CE2 3.85Å; H107-Y173 AromaticContact CG-CE2 3.98Å; W168-Y173 HydrophobicContact CZ3-CD2 4.43Å; W168-Y173 AromaticContact CZ3-CE2 3.78Å; W168-Y173 HydrophobicContact CZ3-CE2 3.78Å; V169-Y173 HydrophobicContact CB-CD2 4.17Å; V169-Y173 HydrophobicContact CG1-CD2 3.88Å; V169-Y173 HydrophobicContact CG2-CD2 4.16Å; V169-Y173 HydrophobicContact CG2-CE2 4.17Å; V169-Y173 PolarHBondContact O-N 2.81Å; Y173-Q175 PolarHBondContact O-N 3.36Å; Y173-V176 HydrophobicContact CG-CG2 4.46Å; Y173-V176 WeakPolarHBondContact O-CB 3.31Å; Y173-V176 PolarHBondContact O-N 3.02Å; Y173-H177 PolarHBondContact O-N 3.01Å
174K95.9Very high96.2Very high178 Ų17855.7 Ų55.777%0.77428%0.283SS*.Hα-helixtrans-55.6-36179-66.6-175.8-179.8-179.90112.9V176 H177 Q178K174-V176 VanDerWaalsContact C-N 3.28Å; K174-V176 PolarHBondContact O-N 3.42Å; K174-H177 PolarHBondContact O-N 3.33Å; K174-Q178 PolarHBondContact O-N 2.97Å
175Q96.6Very high96.3Very high111 Ų11155.8 Ų55.852%0.51928%0.284SS..Hα-helixtrans-63.1-35.6179-56.587.7-10.800111.9F106 Y173 A179F106-Q175 HydrophobicContact CD1-CB 3.99Å; F106-Q175 HydrophobicContact CE1-CB 4.44Å; Y173-Q175 PolarHBondContact O-N 3.36Å; Q175-A179 WeakPolarHBondContact O-CB 3.28Å; Q175-A179 PolarHBondContact O-N 3.43Å
176V97.1Very high96.3Very high0 Ų055.8 Ų55.80%028%0.284CS..Hα-helixtrans-68.2-43177.4-176.40000110.1T97 F106 V169 L170 Y173 K174 A179 I180T97-V176 HydrophobicContact CG2-CG1 4.44Å; T97-V176 WeakPolarHBondContact OG1-CG2 3.35Å; F106-V176 HydrophobicContact CB-CG2 3.59Å; F106-V176 HydrophobicContact CD2-CG2 3.8Å; F106-V176 HydrophobicContact CG-CG2 3.84Å; V169-V176 HydrophobicContact CG1-CB 4.44Å; V169-V176 HydrophobicContact CG1-CG1 4.21Å; V169-V176 HydrophobicContact CG1-CG2 4Å; L170-V176 HydrophobicContact CD2-CG1 3.66Å; Y173-V176 HydrophobicContact CG-CG2 4.46Å; Y173-V176 WeakPolarHBondContact O-CB 3.31Å; Y173-V176 PolarHBondContact O-N 3.02Å; K174-V176 VanDerWaalsContact C-N 3.28Å; K174-V176 PolarHBondContact O-N 3.42Å; V176-A179 PolarHBondContact O-N 2.85Å; V176-I180 HydrophobicContact CG1-CD1 4.12Å; V176-I180 VanDerWaalsContact O-CG1 3.32Å; V176-I180 WeakPolarHBondContact O-CG1 3.32Å; V176-I180 PolarHBondContact O-N 3.09Å
177H94.3Very high96.4Very high94 Ų9455.9 Ų55.944%0.43528%0.284SS..Hα-helixtrans-60.6-48.8177-166.876.8000111.6Y173 K174 A179 I180 E181Y173-H177 PolarHBondContact O-N 3.01Å; K174-H177 PolarHBondContact O-N 3.33Å; H177-A179 VanDerWaalsContact C-N 3.35Å; H177-A179 PolarHBondContact O-N 3.38Å; H177-I180 WeakPolarHBondContact O-CB 3.38Å; H177-I180 PolarHBondContact O-N 2.93Å; H177-I180 VanDerWaalsContact O-N 3.11Å; H177-E181 IonicContact CD2-OE1 3.97Å; H177-E181 IonicContact NE2-OE1 2.92Å; H177-E181 PolarHBondContact NE2-OE1 2.89Å; H177-E181 PolarHBondContact O-N 3.43Å; H177-E181 VanDerWaalsContact O-N 3.1Å
178Q95.8Very high96.4Very high106 Ų10654.6 Ų54.650%0.49528%0.277SS..Hα-helixtrans-59-45.2176.3-176.9-178.6-1000111.7K174 I180 E181 E182K174-Q178 PolarHBondContact O-N 2.97Å; Q178-I180 PolarHBondContact O-N 3.29Å; Q178-E181 PolarHBondContact O-N 2.68Å; Q178-E182 WeakPolarHBondContact CG-OE1 3.47Å; Q178-E182 PolarHBondContact NE2-OE1 2.89Å; Q178-E182 WeakPolarHBondContact O-CG 3.38Å; Q178-E182 PolarHBondContact O-N 3.36Å
179A97.2Very high96.5Very high5 Ų552.6 Ų52.64%0.04127%0.27CS..Hα-helixtrans-63.3-28.9178.300000112.9F106 Q175 V176 H177 G183 N184 C185F106-A179 HydrophobicContact CE1-CB 4.18Å; F106-A179 HydrophobicContact CE2-CB 3.84Å; F106-A179 HydrophobicContact CZ-CB 3.37Å; Q175-A179 WeakPolarHBondContact O-CB 3.28Å; Q175-A179 PolarHBondContact O-N 3.43Å; V176-A179 PolarHBondContact O-N 2.85Å; H177-A179 VanDerWaalsContact C-N 3.35Å; H177-A179 PolarHBondContact O-N 3.38Å; A179-G183 PolarHBondContact O-N 2.83Å; A179-N184 CarbonylContact O-C 3.56Å; A179-N184 PolarHBondContact O-N 2.96Å; A179-C185 HydrophobicContact CB-CB 3.85Å; A179-C185 PolarHBondContact O-N 3.03Å
180I96.4Very high96.6Very high33 Ų3352.6 Ų52.617%0.16927%0.27CS..Hα-helixtrans-69.8-46.9173.7-73.4165.2000110.9L170 V176 H177 Q178 E182 G183 C185 P235 I238L170-I180 HydrophobicContact CD2-CD1 3.22Å; V176-I180 HydrophobicContact CG1-CD1 4.12Å; V176-I180 VanDerWaalsContact O-CG1 3.32Å; V176-I180 WeakPolarHBondContact O-CG1 3.32Å; V176-I180 PolarHBondContact O-N 3.09Å; H177-I180 WeakPolarHBondContact O-CB 3.38Å; H177-I180 PolarHBondContact O-N 2.93Å; H177-I180 VanDerWaalsContact O-N 3.11Å; Q178-I180 PolarHBondContact O-N 3.29Å; I180-E182 PolarHBondContact O-N 2.61Å; I180-G183 PolarHBondContact O-N 3.17Å; I180-C185 HydrophobicContact CB-CB 4.44Å; I180-C185 HydrophobicContact CG1-CB 3.52Å; I180-P235 HydrophobicContact CD1-CG 4.04Å; I180-P235 HydrophobicContact CG1-CG 4.39Å; I180-P235 HydrophobicContact CG2-CB 4.22Å; I180-P235 HydrophobicContact CG2-CG 3.85Å; I180-I238 HydrophobicContact CD1-CG2 4.25Å; I180-I238 HydrophobicContact CG1-CG2 3.77Å
181E95.3Very high96.7Very high142 Ų14251.2 Ų51.266%0.66426%0.263SS*.Hα-helixtrans-59.5-36.9177.6-67.2-178.5150.100111.6H177 Q178 G183H177-E181 IonicContact CD2-OE1 3.97Å; H177-E181 IonicContact NE2-OE1 2.92Å; H177-E181 PolarHBondContact NE2-OE1 2.89Å; H177-E181 PolarHBondContact O-N 3.43Å; H177-E181 VanDerWaalsContact O-N 3.1Å; Q178-E181 PolarHBondContact O-N 2.68Å; E181-G183 VanDerWaalsContact C-N 3.3Å; E181-G183 PolarHBondContact O-N 3.16Å
182E96.3Very high96.9Very high97 Ų9747.5 Ų47.545%0.45323%0.232SC..THydrogen-bonded Turntrans-81.1-3.7176.6-63.4175.9-171.800114.3Q178 I180 N184Q178-E182 WeakPolarHBondContact CG-OE1 3.47Å; Q178-E182 PolarHBondContact NE2-OE1 2.89Å; Q178-E182 WeakPolarHBondContact O-CG 3.38Å; Q178-E182 PolarHBondContact O-N 3.36Å; I180-E182 PolarHBondContact O-N 2.61Å; E182-N184 VanDerWaalsContact CB-ND2 3.33Å; E182-N184 WeakPolarHBondContact CB-ND2 3.45Å; E182-N184 PolarHBondContact O-N 3.43Å; E182-N184 PolarHBondContact OE2-ND2 2.89Å; E182-N184 VanDerWaalsContact OE2-ND2 3.1Å
183G95.8Very high97.1Very high49 Ų4942.4 Ų42.451%0.50521%0.209SC..THydrogen-bonded Turntrans69.317.3-176.700000114.8A179 I180 E181A179-G183 PolarHBondContact O-N 2.83Å; I180-G183 PolarHBondContact O-N 3.17Å; E181-G183 VanDerWaalsContact C-N 3.3Å; E181-G183 PolarHBondContact O-N 3.16Å
184N96.4Very high97.2Very high12 Ų1239.7 Ų39.76%0.06420%0.198CC..  trans-102.3-4.5-176.4-62.8-43.4000113.8R100 R101 A179 E182R100-N184 WeakPolarHBondContact CB-O 3.31Å; R100-N184 PolarHBondContact N-O 2.9Å; R101-N184 VanDerWaalsContact CZ-OD1 3.23Å; R101-N184 VanDerWaalsContact NE-CG 3.33Å; R101-N184 PolarHBondContact NE-ND2 3.46Å; R101-N184 PolarHBondContact NE-OD1 2.9Å; R101-N184 PolarHBondContact NH2-ND2 3.31Å; R101-N184 PolarHBondContact NH2-OD1 3.04Å; A179-N184 CarbonylContact O-C 3.56Å; A179-N184 PolarHBondContact O-N 2.96Å; E182-N184 VanDerWaalsContact CB-ND2 3.33Å; E182-N184 WeakPolarHBondContact CB-ND2 3.45Å; E182-N184 PolarHBondContact O-N 3.43Å; E182-N184 PolarHBondContact OE2-ND2 2.89Å; E182-N184 VanDerWaalsContact OE2-ND2 3.1Å
185C98.2Very high97.3Very high3 Ų331.2 Ų31.22%0.0216%0.161CC..EExtended strand (participates in β ladder)trans-78.2133.1179.3-173.90000111.9A179 I180 I238A179-C185 HydrophobicContact CB-CB 3.85Å; A179-C185 PolarHBondContact O-N 3.03Å; I180-C185 HydrophobicContact CB-CB 4.44Å; I180-C185 HydrophobicContact CG1-CB 3.52Å; C185-I238 HydrophobicContact CB-CG2 4Å
186C98.4Very high97.4Very high0 Ų026.5 Ų26.50%014%0.139CC..EExtended strand (participates in β ladder)trans-111.8139164.9-65.20000109.7T97 W98 R100T97-C186 CarbonylContact C-O 3.53Å; T97-C186 WeakPolarHBondContact CA-O 3.36Å; T97-C186 WeakPolarHBondContact CB-O 3Å; W98-C186 HydrophobicContact CD2-CB 3.69Å; W98-C186 HydrophobicContact CE3-CB 4.28Å; W98-C186 HydrophobicContact CG-CB 4.09Å; W98-C186 HydrophobicContact CH2-CB 4.21Å; W98-C186 HydrophobicContact CZ2-CB 3.59Å; W98-C186 PolarHBondContact N-O 2.97Å; W98-C186 PolarHBondContact O-N 3.44Å; R100-C186 VanDerWaalsContact CB-SG 3.54Å
187F98.6Very high97.5Very high1 Ų129 Ų290%0.00415%0.15CC..EExtended strand (participates in β ladder)trans-106150.2164.7163.6-88.8000109.8F95 T97 V162 L166 H204 I238 F239F95-F187 HydrophobicContact CB-CE2 3.66Å; F95-F187 HydrophobicContact CB-CZ 4.02Å; F95-F187 AromaticContact CD2-CD2 3.87Å; F95-F187 HydrophobicContact CD2-CD2 3.87Å; F95-F187 AromaticContact CD2-CE2 3.43Å; F95-F187 HydrophobicContact CD2-CE2 3.43Å; F95-F187 VanDerWaalsContact CD2-CE2 3.43Å; F95-F187 HydrophobicContact CE2-CE2 4.25Å; F95-F187 AromaticContact CG-CE2 3.65Å; F95-F187 HydrophobicContact CG-CE2 3.65Å; F95-F187 HydrophobicContact CG-CZ 4.39Å; T97-F187 HydrophobicContact CG2-CB 4.39Å; T97-F187 HydrophobicContact CG2-CD2 4.33Å; V162-F187 HydrophobicContact CG1-CE2 3.58Å; V162-F187 HydrophobicContact CG1-CZ 3.68Å; L166-F187 HydrophobicContact CD1-CD2 3.95Å; L166-F187 HydrophobicContact CD1-CE2 4.43Å; L166-F187 HydrophobicContact CD2-CD2 3.81Å; L166-F187 HydrophobicContact CD2-CE2 3.99Å; L166-F187 HydrophobicContact CD2-CG 4.43Å; L166-F187 HydrophobicContact CG-CD2 4.48Å; F187-H204 PolarHBondContact O-NE2 3.1Å; F187-I238 HydrophobicContact CB-CB 4.12Å; F187-I238 HydrophobicContact CB-CD1 3.99Å; F187-I238 HydrophobicContact CB-CG1 3.82Å; F187-I238 WeakPolarHBondContact CB-O 3.03Å; F187-I238 PolarHBondContact N-O 3.34Å; F187-F239 AromaticContact CD1-CD1 3.43Å; F187-F239 HydrophobicContact CD1-CD1 3.43Å; F187-F239 VanDerWaalsContact CD1-CD1 3.43Å; F187-F239 AromaticContact CD1-CE1 3.79Å; F187-F239 HydrophobicContact CD1-CE1 3.79Å; F187-F239 HydrophobicContact CD1-CG 4.45Å; F187-F239 AromaticContact CE1-CD1 3.78Å; F187-F239 HydrophobicContact CE1-CD1 3.78Å; F187-F239 AromaticContact CE1-CE1 3.94Å; F187-F239 HydrophobicContact CE1-CE1 3.94Å; F187-F239 HydrophobicContact CG-CD1 4.19Å; F187-F239 HydrophobicContact CG-CE1 4.26Å
188G98.3Very high97.7Very high0 Ų024.6 Ų24.60%013%0.129CC..EExtended strand (participates in β ladder)trans-172.4152.5168.600000113.6F95 T96 W98F95-G188 VanDerWaalsContact CA-O 3.32Å; F95-G188 WeakPolarHBondContact CA-O 3.46Å; F95-G188 WeakPolarHBondContact CB-O 3.46Å; T96-G188 PolarHBondContact N-O 2.84Å; T96-G188 PolarHBondContact O-N 2.58Å; W98-G188 VanDerWaalsContact CZ3-N 3.28Å
189T98.6Very high97.8Very high3 Ų319.7 Ų19.72%0.01811%0.107CC..EExtended strand (participates in β ladder)trans-72.9173.4161.939.30000110.3T94 F95 D191 T192 W193 T214T94-T189 VanDerWaalsContact O-CA 3.25Å; T94-T189 WeakPolarHBondContact O-CA 3.17Å; F95-T189 HydrophobicContact CB-CG2 4.37Å; T189-D191 VanDerWaalsContact C-N 3.25Å; T189-D191 WeakPolarHBondContact CB-OD1 3.41Å; T189-D191 PolarHBondContact O-N 3.47Å; T189-D191 PolarHBondContact OG1-OD1 2.87Å; T189-T192 WeakPolarHBondContact O-CB 3.42Å; T189-T192 PolarHBondContact O-N 3.24Å; T189-W193 PolarHBondContact O-N 2.8Å; T189-T214 HydrophobicContact CG2-CG2 4.46Å
190I98.5Very high97.8Very high0 Ų025.2 Ų25.20%013%0.13CC..Hα-helixtrans-53.1-42.8-175.4-65.1174.9000111.9V20 M56 L61 T90 Q91 T94 F109 T192 W193 L194V20-I190 HydrophobicContact CB-CG2 4.33Å; V20-I190 HydrophobicContact CG1-CD1 4.42Å; V20-I190 HydrophobicContact CG1-CG2 3.94Å; M56-I190 HydrophobicContact CE-CD1 4.48Å; L61-I190 HydrophobicContact CD1-CD1 4.2Å; L61-I190 HydrophobicContact CD1-CG2 4.32Å; L61-I190 HydrophobicContact CD2-CG2 4.31Å; T90-I190 HydrophobicContact CG2-CB 4.13Å; T90-I190 HydrophobicContact CG2-CG2 3.8Å; Q91-I190 HydrophobicContact CG-CD1 3.63Å; T94-I190 HydrophobicContact CG2-CD1 3.73Å; T94-I190 HydrophobicContact CG2-CG1 4Å; T94-I190 PolarHBondContact O-N 2.84Å; F109-I190 HydrophobicContact CD1-CG1 3.96Å; F109-I190 HydrophobicContact CE1-CB 4.46Å; F109-I190 HydrophobicContact CE1-CG1 3.81Å; F109-I190 HydrophobicContact CZ-CG1 4.35Å; I190-T192 PolarHBondContact O-N 2.64Å; I190-W193 PolarHBondContact O-N 3.32Å; I190-L194 HydrophobicContact CG2-CD1 3.69Å; I190-L194 HydrophobicContact CG2-CG 4.14Å; I190-L194 WeakPolarHBondContact O-CB 3.44Å; I190-L194 VanDerWaalsContact O-CG 3.28Å; I190-L194 WeakPolarHBondContact O-CG 3.32Å; I190-L194 PolarHBondContact O-N 3.11Å
191D98.5Very high97.8Very high0 Ų025.2 Ų25.20%014%0.138CC..Hα-helixtrans-57-46.6176.963-56.8000112.1T90 T189 W193 L194 L195 T206 V266T90-D191 HydrophobicContact CG2-CB 4.02Å; T189-D191 VanDerWaalsContact C-N 3.25Å; T189-D191 WeakPolarHBondContact CB-OD1 3.41Å; T189-D191 PolarHBondContact O-N 3.47Å; T189-D191 PolarHBondContact OG1-OD1 2.87Å; D191-W193 VanDerWaalsContact C-N 3.35Å; D191-W193 PolarHBondContact O-N 2.51Å; D191-L194 PolarHBondContact O-N 3.3Å; D191-L195 WeakPolarHBondContact O-CB 3.22Å; D191-L195 WeakPolarHBondContact O-CG 3.47Å; D191-L195 PolarHBondContact O-N 3.26Å; D191-T206 WeakPolarHBondContact OD2-CB 3.39Å; D191-T206 PolarHBondContact OD2-OG1 2.87Å; D191-V266 HydrophobicContact CB-CB 4.14Å; D191-V266 HydrophobicContact CB-CG2 4.46Å
192T98.7Very high97.9Very high0 Ų027 Ų270%014%0.138CC..Hα-helixtrans-64.3-43.6-179.4-50.60000110.6W98 T189 I190 L195 F196 A205 T206 P240W98-T192 HydrophobicContact CH2-CG2 3.86Å; W98-T192 HydrophobicContact CZ2-CG2 4.47Å; T189-T192 WeakPolarHBondContact O-CB 3.42Å; T189-T192 PolarHBondContact O-N 3.24Å; I190-T192 PolarHBondContact O-N 2.64Å; T192-L195 PolarHBondContact O-N 3.03Å; T192-F196 WeakPolarHBondContact O-CB 3.42Å; T192-F196 PolarHBondContact O-N 2.88Å; T192-A205 WeakPolarHBondContact CA-O 3.46Å; T192-A205 WeakPolarHBondContact CG2-O 3.34Å; T192-T206 WeakPolarHBondContact OG1-CB 3.32Å; T192-P240 HydrophobicContact CG2-CB 3.61Å; T192-P240 HydrophobicContact CG2-CG 3.83Å
193W98.6Very high98Very high0 Ų023.8 Ų23.80%013%0.125CC..Hα-helixtrans-67.6-41.9179.1-176.683.1000111.8P58 L61 W62 T96 W98 P105 F109 T189 I190 D191 F196 K197P58-W193 HydrophobicContact CB-CH2 4.03Å; P58-W193 HydrophobicContact CB-CZ2 3.79Å; P58-W193 WeakPolarHBondContact O-CH2 3.32Å; L61-W193 HydrophobicContact CD2-CE3 4.15Å; L61-W193 HydrophobicContact CD2-CZ3 3.7Å; W62-W193 HydrophobicContact CB-CH2 3.73Å; W62-W193 HydrophobicContact CB-CZ3 4.06Å; W62-W193 HydrophobicContact CE3-CZ3 4.42Å; W62-W193 HydrophobicContact CG-CH2 4.47Å; T96-W193 HydrophobicContact CG2-CG 4.31Å; W98-W193 AromaticContact CD2-CD1 3.96Å; W98-W193 AromaticContact CE3-CD1 3.75Å; W98-W193 HydrophobicContact CH2-CB 4.31Å; W98-W193 HydrophobicContact CZ3-CB 4.16Å; P105-W193 HydrophobicContact CG-CZ2 4.32Å; F109-W193 HydrophobicContact CE1-CB 4.23Å; F109-W193 HydrophobicContact CE1-CG 4.43Å; F109-W193 HydrophobicContact CE2-CD2 4.1Å; F109-W193 HydrophobicContact CE2-CE3 4.01Å; F109-W193 HydrophobicContact CE2-CZ3 4.25Å; F109-W193 HydrophobicContact CZ-CB 3.85Å; F109-W193 AromaticContact CZ-CD2 3.61Å; F109-W193 HydrophobicContact CZ-CD2 3.61Å; F109-W193 AromaticContact CZ-CE3 3.7Å; F109-W193 HydrophobicContact CZ-CE3 3.7Å; F109-W193 AromaticContact CZ-CG 3.69Å; F109-W193 HydrophobicContact CZ-CG 3.69Å; F109-W193 HydrophobicContact CZ-CZ3 4.39Å; T189-W193 PolarHBondContact O-N 2.8Å; I190-W193 PolarHBondContact O-N 3.32Å; D191-W193 VanDerWaalsContact C-N 3.35Å; D191-W193 PolarHBondContact O-N 2.51Å; W193-F196 WeakPolarHBondContact O-CB 3.5Å; W193-F196 PolarHBondContact O-N 3.01Å; W193-K197 HydrophobicContact CD2-CG 3.87Å; W193-K197 HydrophobicContact CE3-CG 4.06Å; W193-K197 HydrophobicContact CH2-CD 4.28Å; W193-K197 HydrophobicContact CH2-CG 4.01Å; W193-K197 HydrophobicContact CZ2-CD 3.79Å; W193-K197 HydrophobicContact CZ2-CG 3.77Å; W193-K197 HydrophobicContact CZ3-CG 4.13Å; W193-K197 VanDerWaalsContact O-CG 3.31Å; W193-K197 WeakPolarHBondContact O-CG 3.35Å; W193-K197 PolarHBondContact O-N 2.86Å
194L98.4Very high98.1Very high0 Ų022.7 Ų22.70%011%0.107CC..Hα-helixtrans-62.6-42.9175-73.8172.7000111.6V20 L61 W62 F65 I88 T90 I190 D191 F196 K197 L198V20-L194 HydrophobicContact CG2-CD1 3.85Å; L61-L194 HydrophobicContact CD2-CD2 4.01Å; W62-L194 HydrophobicContact CE3-CD2 4.04Å; W62-L194 HydrophobicContact CZ3-CD2 4.24Å; F65-L194 HydrophobicContact CB-CD2 4.42Å; F65-L194 HydrophobicContact CD2-CD1 3.86Å; F65-L194 HydrophobicContact CD2-CD2 3.81Å; F65-L194 HydrophobicContact CD2-CG 4.49Å; F65-L194 HydrophobicContact CE2-CD1 3.86Å; F65-L194 HydrophobicContact CE2-CD2 4.21Å; F65-L194 HydrophobicContact CG-CD2 4.02Å; I88-L194 HydrophobicContact CG2-CD1 4.13Å; T90-L194 HydrophobicContact CG2-CD1 4.35Å; I190-L194 HydrophobicContact CG2-CD1 3.69Å; I190-L194 HydrophobicContact CG2-CG 4.14Å; I190-L194 WeakPolarHBondContact O-CB 3.44Å; I190-L194 VanDerWaalsContact O-CG 3.28Å; I190-L194 WeakPolarHBondContact O-CG 3.32Å; I190-L194 PolarHBondContact O-N 3.11Å; D191-L194 PolarHBondContact O-N 3.3Å; L194-F196 VanDerWaalsContact C-N 3.32Å; L194-F196 PolarHBondContact O-N 3.34Å; L194-K197 PolarHBondContact O-N 3.21Å; L194-L198 HydrophobicContact CB-CD1 4.49Å; L194-L198 VanDerWaalsContact O-CB 3.25Å; L194-L198 WeakPolarHBondContact O-CB 3.39Å; L194-L198 WeakPolarHBondContact O-CD1 3.4Å; L194-L198 WeakPolarHBondContact O-CG 3.46Å; L194-L198 PolarHBondContact O-N 3.28Å
195L98.3Very high98.2Very high0 Ų022.4 Ų22.40%011%0.106CC..Hα-helixtrans-57.9-46.5173.3-78.6177.3000111.5D191 T192 K197 L198 T199 A205 F249 I263 V266D191-L195 WeakPolarHBondContact O-CB 3.22Å; D191-L195 WeakPolarHBondContact O-CG 3.47Å; D191-L195 PolarHBondContact O-N 3.26Å; T192-L195 PolarHBondContact O-N 3.03Å; L195-K197 PolarHBondContact O-N 3.2Å; L195-L198 PolarHBondContact O-N 2.96Å; L195-T199 WeakPolarHBondContact O-CB 3.33Å; L195-T199 VanDerWaalsContact O-CG2 3.29Å; L195-T199 WeakPolarHBondContact O-CG2 3.15Å; L195-T199 PolarHBondContact O-N 2.87Å; L195-T199 PolarHBondContact O-OG1 3.2Å; L195-A205 WeakPolarHBondContact CD1-O 3.25Å; L195-F249 HydrophobicContact CD1-CB 4.2Å; L195-F249 HydrophobicContact CD1-CD1 3.59Å; L195-F249 HydrophobicContact CD1-CE1 4.17Å; L195-F249 HydrophobicContact CD1-CG 4.04Å; L195-F249 HydrophobicContact CD2-CB 3.69Å; L195-F249 HydrophobicContact CD2-CG 4.28Å; L195-I263 HydrophobicContact CD2-CB 4.29Å; L195-I263 HydrophobicContact CD2-CD1 3.88Å; L195-I263 HydrophobicContact CD2-CG2 3.68Å; L195-V266 HydrophobicContact CD1-CB 4.44Å; L195-V266 HydrophobicContact CD1-CG1 3.68Å; L195-V266 HydrophobicContact CD1-CG2 3.99Å; L195-V266 HydrophobicContact CD2-CG1 3.81Å; L195-V266 HydrophobicContact CG-CG1 3.75Å
196F98.4Very high98.2Very high11 Ų1122.3 Ų22.35%0.04811%0.106CC..Hα-helixtrans-59-46.8177-172.3-83.7000111.4W98 R100 T192 W193 L194 K200 G201 V203 H204W98-F196 HydrophobicContact CZ2-CB 4.05Å; W98-F196 HydrophobicContact CZ2-CD2 4.11Å; W98-F196 HydrophobicContact CZ2-CG 4.06Å; W98-F196 AromaticContact NE1-CD1 3.64Å; W98-F196 AromaticContact NE1-CD2 3.61Å; W98-F196 AromaticContact NE1-CE1 3.66Å; W98-F196 AromaticContact NE1-CE2 3.59Å; W98-F196 AromaticContact NE1-CG 3.63Å; W98-F196 AromaticContact NE1-CZ 3.63Å; R100-F196 WeakPolarHBondContact O-CZ 3.38Å; T192-F196 WeakPolarHBondContact O-CB 3.42Å; T192-F196 PolarHBondContact O-N 2.88Å; W193-F196 WeakPolarHBondContact O-CB 3.5Å; W193-F196 PolarHBondContact O-N 3.01Å; L194-F196 VanDerWaalsContact C-N 3.32Å; L194-F196 PolarHBondContact O-N 3.34Å; F196-K200 PolarHBondContact O-N 3.03Å; F196-K200 VanDerWaalsContact O-N 3.13Å; F196-G201 VanDerWaalsContact CE2-CA 3.42Å; F196-G201 PolarHBondContact O-N 3.26Å; F196-V203 VanDerWaalsContact CA-O 3.31Å; F196-V203 WeakPolarHBondContact CA-O 3.25Å; F196-V203 PolarHBondContact N-O 3.42Å; F196-H204 HydrophobicContact CD2-CB 4.44Å
197K98.1Very high98.2Very high54 Ų5422.3 Ų22.324%0.23511%0.106CC..Hα-helixtrans-66-47.4179-67.3-74.9-71.9-1640112.3W62 W193 L194 L195 T199 K200 I256W62-K197 HydrophobicContact CE3-CB 3.95Å; W62-K197 HydrophobicContact CE3-CG 4.47Å; W62-K197 HydrophobicContact CH2-CB 3.89Å; W62-K197 HydrophobicContact CZ2-CB 4.48Å; W62-K197 HydrophobicContact CZ3-CB 3.61Å; W193-K197 HydrophobicContact CD2-CG 3.87Å; W193-K197 HydrophobicContact CE3-CG 4.06Å; W193-K197 HydrophobicContact CH2-CD 4.28Å; W193-K197 HydrophobicContact CH2-CG 4.01Å; W193-K197 HydrophobicContact CZ2-CD 3.79Å; W193-K197 HydrophobicContact CZ2-CG 3.77Å; W193-K197 HydrophobicContact CZ3-CG 4.13Å; W193-K197 VanDerWaalsContact O-CG 3.31Å; W193-K197 WeakPolarHBondContact O-CG 3.35Å; W193-K197 PolarHBondContact O-N 2.86Å; L194-K197 PolarHBondContact O-N 3.21Å; L195-K197 PolarHBondContact O-N 3.2Å; K197-T199 VanDerWaalsContact C-N 3.27Å; K197-T199 PolarHBondContact O-N 3.41Å; K197-K200 PolarHBondContact O-N 3.11Å; K197-I256 WeakPolarHBondContact O-CD1 3.44Å
198L98.3Very high98.2Very high0 Ų023.4 Ų23.40%011%0.11CC..Hα-helixtrans-64.5-31.6-178.4-72.5166000112.6W62 F65 L86 I88 L194 L195 T252 D253 I256 I263W62-L198 HydrophobicContact CH2-CD2 3.76Å; W62-L198 HydrophobicContact CH2-CG 4.11Å; W62-L198 HydrophobicContact CZ3-CD2 3.99Å; W62-L198 HydrophobicContact CZ3-CG 4.03Å; F65-L198 HydrophobicContact CE1-CD1 4.17Å; F65-L198 HydrophobicContact CE1-CD2 3.91Å; F65-L198 HydrophobicContact CE1-CG 4.49Å; F65-L198 HydrophobicContact CZ-CD1 3.98Å; L86-L198 HydrophobicContact CD2-CD1 4.15Å; I88-L198 HydrophobicContact CD1-CD1 3.65Å; L194-L198 HydrophobicContact CB-CD1 4.49Å; L194-L198 VanDerWaalsContact O-CB 3.25Å; L194-L198 WeakPolarHBondContact O-CB 3.39Å; L194-L198 WeakPolarHBondContact O-CD1 3.4Å; L194-L198 WeakPolarHBondContact O-CG 3.46Å; L194-L198 PolarHBondContact O-N 3.28Å; L195-L198 PolarHBondContact O-N 2.96Å; L198-T252 HydrophobicContact CB-CG2 4.37Å; L198-T252 HydrophobicContact CD2-CG2 3.97Å; L198-T252 CarbonylContact O-C 3.53Å; L198-T252 WeakPolarHBondContact O-CA 3.21Å; L198-D253 PolarHBondContact O-N 2.94Å; L198-I256 HydrophobicContact CD2-CG2 4.5Å; L198-I256 WeakPolarHBondContact O-CD1 3.38Å; L198-I263 HydrophobicContact CB-CD1 3.84Å; L198-I263 HydrophobicContact CD1-CD1 3.97Å
199T98.2Very high98.1Very high4 Ų423.4 Ų23.43%0.02511%0.11CC..THydrogen-bonded Turntrans-97.14.718065.40000113.4L195 K197 G201 R202 V203 I263L195-T199 WeakPolarHBondContact O-CB 3.33Å; L195-T199 VanDerWaalsContact O-CG2 3.29Å; L195-T199 WeakPolarHBondContact O-CG2 3.15Å; L195-T199 PolarHBondContact O-N 2.87Å; L195-T199 PolarHBondContact O-OG1 3.2Å; K197-T199 VanDerWaalsContact C-N 3.27Å; K197-T199 PolarHBondContact O-N 3.41Å; T199-G201 PolarHBondContact O-N 2.89Å; T199-R202 WeakPolarHBondContact O-CB 3.37Å; T199-R202 WeakPolarHBondContact O-CD 3.46Å; T199-R202 VanDerWaalsContact O-CG 3.24Å; T199-R202 WeakPolarHBondContact O-CG 3.34Å; T199-R202 PolarHBondContact O-N 2.87Å; T199-R202 PolarHBondContact O-NE 3.35Å; T199-V203 HydrophobicContact CG2-CB 4.05Å; T199-V203 HydrophobicContact CG2-CG2 3.9Å; T199-V203 PolarHBondContact OG1-N 2.98Å; T199-V203 VanDerWaalsContact OG1-N 3.15Å; T199-I263 HydrophobicContact CG2-CD1 4.23Å
200K96.9Very high98.1Very high121 Ų12123.2 Ų23.253%0.52611%0.109SC..THydrogen-bonded Turntrans51.150.6-173.5-68.8-165.5178174.80113.4F196 K197 R202 D253 S255F196-K200 PolarHBondContact O-N 3.03Å; F196-K200 VanDerWaalsContact O-N 3.13Å; K197-K200 PolarHBondContact O-N 3.11Å; K200-R202 VanDerWaalsContact C-N 3.27Å; K200-R202 PolarHBondContact O-N 3.23Å; K200-D253 HydrophobicContact CD-CB 4.14Å; K200-D253 WeakPolarHBondContact CD-OD2 3.33Å; K200-D253 WeakPolarHBondContact CE-OD1 3.11Å; K200-D253 HydrophobicContact CG-CB 3.9Å; K200-D253 IonicContact NZ-OD1 3.25Å; K200-D253 PolarHBondContact NZ-OD1 3.34Å; K200-S255 WeakPolarHBondContact CE-OG 3.37Å; K200-S255 PolarHBondContact NZ-OG 3.3Å
201G96.8Very high98.1Very high32 Ų3223.2 Ų23.233%0.3311%0.109SC..THydrogen-bonded Turntrans78.92.3173.700000115.5F196 T199 V203F196-G201 VanDerWaalsContact CE2-CA 3.42Å; F196-G201 PolarHBondContact O-N 3.26Å; T199-G201 PolarHBondContact O-N 2.89Å; G201-V203 VanDerWaalsContact C-N 3.33Å
202R96.9Very high98Very high179 Ų17923.2 Ų23.268%0.67511%0.109SC*.SBendtrans-71.8-28179.3-63178.1-136.6177.52.8112.8T199 K200 D253T199-R202 WeakPolarHBondContact O-CB 3.37Å; T199-R202 WeakPolarHBondContact O-CD 3.46Å; T199-R202 VanDerWaalsContact O-CG 3.24Å; T199-R202 WeakPolarHBondContact O-CG 3.34Å; T199-R202 PolarHBondContact O-N 2.87Å; T199-R202 PolarHBondContact O-NE 3.35Å; K200-R202 VanDerWaalsContact C-N 3.27Å; K200-R202 PolarHBondContact O-N 3.23Å; R202-D253 IonicContact CZ-OD2 3.83Å; R202-D253 IonicContact NH2-OD2 3.74Å; R202-D253 PolarHBondContact NH2-OD2 2.97Å
203V98.2Very high97.8Very high30 Ų3023.7 Ų23.718%0.18211%0.112CC..  trans-123.7119.7-175.4-178.90000110.2F196 T199 G201 A205 F249F196-V203 VanDerWaalsContact CA-O 3.31Å; F196-V203 WeakPolarHBondContact CA-O 3.25Å; F196-V203 PolarHBondContact N-O 3.42Å; T199-V203 HydrophobicContact CG2-CB 4.05Å; T199-V203 HydrophobicContact CG2-CG2 3.9Å; T199-V203 PolarHBondContact OG1-N 2.98Å; T199-V203 VanDerWaalsContact OG1-N 3.15Å; G201-V203 VanDerWaalsContact C-N 3.33Å; V203-A205 HydrophobicContact CG1-CB 3.75Å; V203-F249 WeakPolarHBondContact CG2-O 3.46Å
204H98.4Very high97.6Very high27 Ų2723.7 Ų23.713%0.12511%0.112CC..  trans-118.579.4170.9177.9-144.7000108W98 R100 F187 F196 I238 Q241W98-H204 AromaticContact CZ2-CD2 3.82Å; R100-H204 PolarHBondContact NH1-ND1 3.47Å; R100-H204 PolarHBondContact NH2-ND1 3Å; F187-H204 PolarHBondContact O-NE2 3.1Å; F196-H204 HydrophobicContact CD2-CB 4.44Å; H204-I238 PolarHBondContact CE1-O 3.18Å; H204-I238 VanDerWaalsContact CE1-O 3.27Å; H204-Q241 PolarHBondContact O-N 3.33Å; H204-Q241 VanDerWaalsContact O-N 3.11Å
205A98.6Very high97.4Very high5 Ų524.4 Ų24.44%0.04112%0.119CC..EExtended strand (participates in β ladder)trans-140.3158.8-172.800000111.8T192 L195 V203 Q241 E243 F249T192-A205 WeakPolarHBondContact CA-O 3.46Å; T192-A205 WeakPolarHBondContact CG2-O 3.34Å; L195-A205 WeakPolarHBondContact CD1-O 3.25Å; V203-A205 HydrophobicContact CG1-CB 3.75Å; A205-Q241 CarbonylContact C-O 3.56Å; A205-Q241 WeakPolarHBondContact CA-O 3.32Å; A205-Q241 HydrophobicContact CB-CB 4.47Å; A205-E243 HydrophobicContact CB-CG 4.39Å; A205-F249 HydrophobicContact CB-CD1 4.15Å; A205-F249 HydrophobicContact CB-CE1 4.3Å
206T98.7Very high97.3Very high1 Ų124.5 Ų24.51%0.00612%0.12CC..EExtended strand (participates in β ladder)trans-137.7173.4172.9-170.50000109.1D191 T192 N210 A211 W224 P240 Q241 V242 E243D191-T206 WeakPolarHBondContact OD2-CB 3.39Å; D191-T206 PolarHBondContact OD2-OG1 2.87Å; T192-T206 WeakPolarHBondContact OG1-CB 3.32Å; T206-N210 WeakPolarHBondContact OG1-CB 3.48Å; T206-A211 HydrophobicContact CG2-CB 4.05Å; T206-W224 HydrophobicContact CG2-CZ2 4.13Å; T206-P240 HydrophobicContact CG2-CB 4.41Å; T206-P240 HydrophobicContact CG2-CG 3.75Å; T206-Q241 PolarHBondContact N-O 3.09Å; T206-V242 HydrophobicContact CG2-CB 4.43Å; T206-V242 HydrophobicContact CG2-CG1 4.42Å; T206-V242 HydrophobicContact CG2-CG2 3.9Å; T206-V242 WeakPolarHBondContact O-CA 3.35Å; T206-E243 PolarHBondContact O-N 3.1Å
207D98.2Very high97.2Very high0 Ų024.6 Ų24.60%012%0.12CC..EExtended strand (participates in β ladder)trans-102.2167.8170.592.5-55.9000112.7S209 N210 A211 E243 T245 F249 V266D207-S209 VanDerWaalsContact C-N 3.26Å; D207-S209 PolarHBondContact O-N 2.86Å; D207-S209 PolarHBondContact OD1-OG 2.96Å; D207-S209 VanDerWaalsContact OD2-CB 3.22Å; D207-S209 WeakPolarHBondContact OD2-CB 3.42Å; D207-S209 PolarHBondContact OD2-N 3.03Å; D207-S209 PolarHBondContact OD2-OG 3.24Å; D207-N210 PolarHBondContact O-N 3.32Å; D207-N210 WeakPolarHBondContact OD1-CB 3.34Å; D207-N210 PolarHBondContact OD1-N 3.01Å; D207-N210 PolarHBondContact OD1-ND2 3.3Å; D207-A211 WeakPolarHBondContact O-CB 3.17Å; D207-A211 PolarHBondContact O-N 2.87Å; D207-E243 WeakPolarHBondContact CA-O 3.39Å; D207-T245 PolarHBondContact OD2-OG1 2.69Å; D207-T245 VanDerWaalsContact OD2-OG1 3.09Å; D207-F249 HydrophobicContact CB-CZ 4.25Å; D207-V266 HydrophobicContact CB-CG2 3.92Å; D207-V266 VanDerWaalsContact CB-O 3.25Å; D207-V266 WeakPolarHBondContact CB-O 3.47Å
208Y97.9Very high97Very high24 Ų2423.8 Ų23.89%0.09412%0.118CC..Hα-helixtrans-60.7-32.2179.2-67.9-79.4000113.9S212 F217 M222 V242 E243 K317Y208-S212 VanDerWaalsContact O-CB 3.24Å; Y208-S212 WeakPolarHBondContact O-CB 3.33Å; Y208-S212 PolarHBondContact O-N 2.76Å; Y208-S212 PolarHBondContact O-OG 3.01Å; Y208-F217 HydrophobicContact CD1-CE1 4.07Å; Y208-F217 HydrophobicContact CD1-CE2 4.38Å; Y208-F217 AromaticContact CD1-CZ 3.51Å; Y208-F217 HydrophobicContact CD1-CZ 3.51Å; Y208-F217 AromaticContact CE1-CZ 3.81Å; Y208-F217 HydrophobicContact CE1-CZ 3.81Å; Y208-M222 HydrophobicContact CD1-CE 3.29Å; Y208-M222 HydrophobicContact CD1-SD 4.11Å; Y208-M222 HydrophobicContact CD2-CE 4.33Å; Y208-M222 HydrophobicContact CE1-CB 4.02Å; Y208-M222 HydrophobicContact CE1-CE 3.52Å; Y208-M222 HydrophobicContact CE1-SD 4.37Å; Y208-M222 HydrophobicContact CE2-CE 4.49Å; Y208-M222 HydrophobicContact CG-CE 3.74Å; Y208-V242 HydrophobicContact CD1-CG1 3.54Å; Y208-V242 HydrophobicContact CD2-CG1 4.27Å; Y208-V242 HydrophobicContact CE1-CB 4.48Å; Y208-V242 HydrophobicContact CE1-CG1 3.7Å; Y208-V242 HydrophobicContact CE2-CG1 4.41Å; Y208-V242 HydrophobicContact CG-CG1 3.86Å; Y208-E243 WeakPolarHBondContact CD2-O 3.47Å; Y208-E243 VanDerWaalsContact CE2-C 3.49Å; Y208-E243 VanDerWaalsContact CE2-O 3.24Å; Y208-E243 WeakPolarHBondContact CE2-O 3.37Å; Y208-K317 HydrophobicContact CD2-CB 3.69Å; Y208-K317 HydrophobicContact CD2-CD 3.93Å; Y208-K317 HydrophobicContact CD2-CG 4.4Å; Y208-K317 HydrophobicContact CE2-CB 4.07Å; Y208-K317 HydrophobicContact CE2-CD 3.47Å; Y208-K317 VanDerWaalsContact CE2-CD 3.47Å; Y208-K317 HydrophobicContact CE2-CG 4.29Å; Y208-K317 HydrophobicContact CG-CB 4.45Å; Y208-K317 PolarHBondContact OH-NZ 3.39Å
209S97.7Very high96.7Very high0 Ų024.3 Ų24.30%012%0.122CC..Hα-helixtrans-67.7-48.7-179.770.60000111.5D207 S212 A268 V314 G315D207-S209 VanDerWaalsContact C-N 3.26Å; D207-S209 PolarHBondContact O-N 2.86Å; D207-S209 PolarHBondContact OD1-OG 2.96Å; D207-S209 VanDerWaalsContact OD2-CB 3.22Å; D207-S209 WeakPolarHBondContact OD2-CB 3.42Å; D207-S209 PolarHBondContact OD2-N 3.03Å; D207-S209 PolarHBondContact OD2-OG 3.24Å; S209-S212 PolarHBondContact O-OG 2.89Å; S209-A268 PolarHBondContact OG-N 3.35Å; S209-V314 WeakPolarHBondContact CA-O 3.35Å; S209-G315 WeakPolarHBondContact CB-O 3.43Å
210N97.9Very high96.3Very high0 Ų027.6 Ų27.60%014%0.135CC..Hα-helixtrans-63.6-47.3174-79.2-65.1000111.8T90 T206 D207 S212 S213 M267 A268T90-N210 PolarHBondContact OG1-OD1 3.35Å; T206-N210 WeakPolarHBondContact OG1-CB 3.48Å; D207-N210 PolarHBondContact O-N 3.32Å; D207-N210 WeakPolarHBondContact OD1-CB 3.34Å; D207-N210 PolarHBondContact OD1-N 3.01Å; D207-N210 PolarHBondContact OD1-ND2 3.3Å; N210-S212 VanDerWaalsContact C-N 3.34Å; N210-S212 PolarHBondContact O-N 2.95Å; N210-S213 PolarHBondContact O-N 2.99Å; N210-S213 VanDerWaalsContact O-N 3.1Å; N210-S213 PolarHBondContact O-OG 2.82Å; N210-M267 PolarHBondContact ND2-O 2.95Å; N210-A268 PolarHBondContact ND2-N 3.03Å; N210-A268 VanDerWaalsContact ND2-N 3.16Å
211A97.9Very high96.1Very high0 Ų028.4 Ų28.40%014%0.14CC..Hα-helixtrans-56.8-45.9179.700000112T206 D207 S213 T214 F217 W224 V242T206-A211 HydrophobicContact CG2-CB 4.05Å; D207-A211 WeakPolarHBondContact O-CB 3.17Å; D207-A211 PolarHBondContact O-N 2.87Å; A211-S213 PolarHBondContact O-N 2.77Å; A211-S213 VanDerWaalsContact O-N 3.17Å; A211-T214 WeakPolarHBondContact O-CB 3.38Å; A211-T214 WeakPolarHBondContact O-CG2 3.46Å; A211-T214 PolarHBondContact O-N 2.85Å; A211-T214 VanDerWaalsContact O-N 3.1Å; A211-T214 PolarHBondContact O-OG1 3.34Å; A211-F217 HydrophobicContact CB-CB 4.19Å; A211-F217 HydrophobicContact CB-CD1 4.42Å; A211-F217 HydrophobicContact CB-CD2 3.69Å; A211-F217 HydrophobicContact CB-CE2 4.14Å; A211-F217 HydrophobicContact CB-CG 3.85Å; A211-F217 WeakPolarHBondContact O-CB 3.38Å; A211-W224 HydrophobicContact CB-CH2 3.9Å; A211-W224 HydrophobicContact CB-CZ2 4.15Å; A211-W224 HydrophobicContact CB-CZ3 4.49Å; A211-V242 HydrophobicContact CB-CG1 4Å; A211-V242 HydrophobicContact CB-CG2 4.06Å
212S96.5Very high96Very high0 Ų028.5 Ų28.50%013%0.133CC..Hα-helixtrans-63.1-22-179.471.90000114.2Y208 S209 N210 T214 V314Y208-S212 VanDerWaalsContact O-CB 3.24Å; Y208-S212 WeakPolarHBondContact O-CB 3.33Å; Y208-S212 PolarHBondContact O-N 2.76Å; Y208-S212 PolarHBondContact O-OG 3.01Å; S209-S212 PolarHBondContact O-OG 2.89Å; N210-S212 VanDerWaalsContact C-N 3.34Å; N210-S212 PolarHBondContact O-N 2.95Å; S212-T214 VanDerWaalsContact C-N 3.34Å; S212-V314 PolarHBondContact OG-N 2.89Å; S212-V314 VanDerWaalsContact OG-N 3.09Å
213S94.3Very high96Very high9 Ų922.4 Ų22.46%0.06312%0.117CC..THydrogen-bonded Turntrans-81.6-9.7177.676.30000114.3N210 A211 G215N210-S213 PolarHBondContact O-N 2.99Å; N210-S213 VanDerWaalsContact O-N 3.1Å; N210-S213 PolarHBondContact O-OG 2.82Å; A211-S213 PolarHBondContact O-N 2.77Å; A211-S213 VanDerWaalsContact O-N 3.17Å; S213-G215 VanDerWaalsContact C-N 3.28Å; S213-G215 PolarHBondContact O-N 3.33Å
214T95.9Very high96Very high0 Ų022.6 Ų22.60%011%0.114CC..THydrogen-bonded Turntrans-72.4-21.9-175.260.20000113.5V162 T189 A211 S212 I216 F217 W224V162-T214 WeakPolarHBondContact CB-O 3.37Å; V162-T214 HydrophobicContact CG2-CG2 4.31Å; V162-T214 PolarHBondContact N-O 3.46Å; T189-T214 HydrophobicContact CG2-CG2 4.46Å; A211-T214 WeakPolarHBondContact O-CB 3.38Å; A211-T214 WeakPolarHBondContact O-CG2 3.46Å; A211-T214 PolarHBondContact O-N 2.85Å; A211-T214 VanDerWaalsContact O-N 3.1Å; A211-T214 PolarHBondContact O-OG1 3.34Å; S212-T214 VanDerWaalsContact C-N 3.34Å; T214-I216 PolarHBondContact O-N 2.86Å; T214-I216 PolarHBondContact OG1-N 2.84Å; T214-I216 VanDerWaalsContact OG1-N 3.09Å; T214-F217 PolarHBondContact OG1-N 2.76Å; T214-W224 HydrophobicContact CG2-CH2 4.04Å; T214-W224 HydrophobicContact CG2-CZ3 4.07Å
215G93.9Very high95.9Very high15 Ų1522 Ų2216%0.15511%0.113CC..SBendtrans70.59.7-167.200000114.2T163 S213 L228T163-G215 PolarHBondContact OG1-O 3.16Å; T163-G215 VanDerWaalsContact OG1-O 3.12Å; S213-G215 VanDerWaalsContact C-N 3.28Å; S213-G215 PolarHBondContact O-N 3.33Å; G215-L228 WeakPolarHBondContact O-CD2 3.49Å
216I95.6Very high95.8Very high2 Ų227.1 Ų27.11%0.0114%0.136CC..SBendtrans-111.1-32.3176.1-55.4170.2000111.1V162 T163 L166 T214 W224 S225 L234 F239V162-I216 HydrophobicContact CG1-CD1 4.31Å; T163-I216 HydrophobicContact CG2-CG1 4.23Å; T163-I216 VanDerWaalsContact OG1-CG1 3.32Å; T163-I216 WeakPolarHBondContact OG1-CG1 3.43Å; L166-I216 HydrophobicContact CD2-CD1 4.3Å; T214-I216 PolarHBondContact O-N 2.86Å; T214-I216 PolarHBondContact OG1-N 2.84Å; T214-I216 VanDerWaalsContact OG1-N 3.09Å; I216-W224 HydrophobicContact CB-CE3 4.22Å; I216-W224 HydrophobicContact CB-CZ3 4.24Å; I216-W224 HydrophobicContact CG2-CE3 4.04Å; I216-S225 WeakPolarHBondContact O-CB 3.49Å; I216-S225 PolarHBondContact O-N 2.82Å; I216-L234 HydrophobicContact CD1-CD1 4Å; I216-F239 HydrophobicContact CD1-CE1 3.69Å; I216-F239 HydrophobicContact CD1-CZ 3.79Å; I216-F239 HydrophobicContact CG2-CE1 4.21Å; I216-F239 HydrophobicContact CG2-CE2 4.45Å; I216-F239 HydrophobicContact CG2-CZ 3.91Å
217F96.4Very high95.5Very high13 Ų1333.8 Ų33.86%0.05717%0.165CC..EExtended strand (participates in β ladder)trans-73.3134.3-179.9-171.7-97000112Y208 A211 T214 S219 M222 C223 W224 V242 V314Y208-F217 HydrophobicContact CD1-CE1 4.07Å; Y208-F217 HydrophobicContact CD1-CE2 4.38Å; Y208-F217 AromaticContact CD1-CZ 3.51Å; Y208-F217 HydrophobicContact CD1-CZ 3.51Å; Y208-F217 AromaticContact CE1-CZ 3.81Å; Y208-F217 HydrophobicContact CE1-CZ 3.81Å; A211-F217 HydrophobicContact CB-CB 4.19Å; A211-F217 HydrophobicContact CB-CD1 4.42Å; A211-F217 HydrophobicContact CB-CD2 3.69Å; A211-F217 HydrophobicContact CB-CE2 4.14Å; A211-F217 HydrophobicContact CB-CG 3.85Å; A211-F217 WeakPolarHBondContact O-CB 3.38Å; T214-F217 PolarHBondContact OG1-N 2.76Å; F217-S219 PolarHBondContact O-N 2.79Å; F217-M222 HydrophobicContact CE1-SD 4.24Å; F217-M222 VanDerWaalsContact CZ-CA 3.49Å; F217-M222 HydrophobicContact CZ-CB 4.38Å; F217-C223 VanDerWaalsContact CD2-C 3.48Å; F217-C223 WeakPolarHBondContact CD2-O 3.24Å; F217-C223 VanDerWaalsContact CE2-C 3.43Å; F217-W224 HydrophobicContact CB-CE3 4.03Å; F217-W224 HydrophobicContact CB-CZ3 3.98Å; F217-W224 HydrophobicContact CD2-CD2 4.18Å; F217-W224 HydrophobicContact CD2-CE3 4.13Å; F217-W224 HydrophobicContact CD2-CZ3 4.45Å; F217-V242 HydrophobicContact CD2-CG2 4.24Å; F217-V242 HydrophobicContact CE2-CB 4.23Å; F217-V242 HydrophobicContact CE2-CG1 4.02Å; F217-V242 HydrophobicContact CE2-CG2 3.87Å; F217-V242 HydrophobicContact CZ-CG1 4.33Å; F217-V314 HydrophobicContact CE1-CG2 4.44Å
218D94Very high95.3Very high37 Ų3734.8 Ų34.820%0.19817%0.171CC..EExtended strand (participates in β ladder)trans-89102.9173.2-173.4-29.4000109.9Y220 Q221 M222 C223D218-Y220 PolarHBondContact O-N 3.5Å; D218-Y220 WeakPolarHBondContact OD1-CA 3.39Å; D218-Y220 VanDerWaalsContact OD1-CB 3.3Å; D218-Y220 WeakPolarHBondContact OD1-CB 3.2Å; D218-Y220 PolarHBondContact OD1-N 3.24Å; D218-Q221 HydrophobicContact CB-CB 4.23Å; D218-Q221 PolarHBondContact O-N 3.12Å; D218-Q221 PolarHBondContact OD1-N 3.26Å; D218-M222 WeakPolarHBondContact O-CA 3.29Å; D218-M222 PolarHBondContact O-N 3.09Å; D218-C223 PolarHBondContact N-O 2.96Å; D218-C223 PolarHBondContact O-N 3.15Å
219S92.1Very high95.2Very high11 Ų1133.7 Ų33.78%0.07717%0.167CC..THydrogen-bonded Turntrans-67.4-15.9179.3-560000114.2F217 Y324F217-S219 PolarHBondContact O-N 2.79Å; S219-Y324 VanDerWaalsContact O-CE1 3.25Å; S219-Y324 WeakPolarHBondContact O-CE1 3.26Å; S219-Y324 PolarHBondContact O-OH 3.16Å
220Y89.5Confident95.1Very high74 Ų7437.3 Ų37.329%0.2919%0.192SC..THydrogen-bonded Turntrans-84.9-38.2175.6-64.1-87000111.8R148 D218 P303 T305R148-Y220 HydrophobicContact CG-CE1 4.27Å; R148-Y220 VanDerWaalsContact NE-CE1 3.27Å; R148-Y220 VanDerWaalsContact NH2-CD1 3.28Å; D218-Y220 PolarHBondContact O-N 3.5Å; D218-Y220 WeakPolarHBondContact OD1-CA 3.39Å; D218-Y220 VanDerWaalsContact OD1-CB 3.3Å; D218-Y220 WeakPolarHBondContact OD1-CB 3.2Å; D218-Y220 PolarHBondContact OD1-N 3.24Å; Y220-P303 HydrophobicContact CD1-CB 4.16Å; Y220-P303 HydrophobicContact CD1-CG 3.29Å; Y220-P303 HydrophobicContact CE1-CB 3.9Å; Y220-P303 HydrophobicContact CE1-CG 3.36Å; Y220-P303 HydrophobicContact CG-CG 4.12Å; Y220-T305 PolarHBondContact OH-OG1 2.91Å
221Q92.8Very high94.9Very high138 Ų13839.3 Ų39.365%0.64520%0.202SC*.THydrogen-bonded Turntrans-90.4-14.5177.5-63-170.5-7.400113.2D218 C223D218-Q221 HydrophobicContact CB-CB 4.23Å; D218-Q221 PolarHBondContact O-N 3.12Å; D218-Q221 PolarHBondContact OD1-N 3.26Å; Q221-C223 VanDerWaalsContact C-N 3.33Å; Q221-C223 VanDerWaalsContact CB-SG 3.6Å
222M94.8Very high94.7Very high34 Ų3439.8 Ų39.817%0.16721%0.205CC..THydrogen-bonded Turntrans59.441.1-177.1-61.2-69.2-81.800112.7Y208 F217 D218 V314 K317 V322 Y324Y208-M222 HydrophobicContact CD1-CE 3.29Å; Y208-M222 HydrophobicContact CD1-SD 4.11Å; Y208-M222 HydrophobicContact CD2-CE 4.33Å; Y208-M222 HydrophobicContact CE1-CB 4.02Å; Y208-M222 HydrophobicContact CE1-CE 3.52Å; Y208-M222 HydrophobicContact CE1-SD 4.37Å; Y208-M222 HydrophobicContact CE2-CE 4.49Å; Y208-M222 HydrophobicContact CG-CE 3.74Å; F217-M222 HydrophobicContact CE1-SD 4.24Å; F217-M222 VanDerWaalsContact CZ-CA 3.49Å; F217-M222 HydrophobicContact CZ-CB 4.38Å; D218-M222 WeakPolarHBondContact O-CA 3.29Å; D218-M222 PolarHBondContact O-N 3.09Å; M222-V314 HydrophobicContact CE-CG1 4.26Å; M222-V314 HydrophobicContact CE-CG2 4.24Å; M222-V314 HydrophobicContact SD-CG2 3.82Å; M222-K317 HydrophobicContact CE-CD 4.23Å; M222-V322 HydrophobicContact CE-CG1 3.91Å; M222-Y324 HydrophobicContact SD-CE1 4.32Å; M222-Y324 PolarHBondContact SD-OH 3.38Å; M222-Y324 VanDerWaalsContact SD-OH 3.34Å
223C96.8Very high94.5Very high50 Ų5044.7 Ų44.734%0.33824%0.239SC..EExtended strand (participates in β ladder)trans-147.3166.4177.865.30000112.1F217 D218 Q221 S225F217-C223 VanDerWaalsContact CD2-C 3.48Å; F217-C223 WeakPolarHBondContact CD2-O 3.24Å; F217-C223 VanDerWaalsContact CE2-C 3.43Å; D218-C223 PolarHBondContact N-O 2.96Å; D218-C223 PolarHBondContact O-N 3.15Å; Q221-C223 VanDerWaalsContact C-N 3.33Å; Q221-C223 VanDerWaalsContact CB-SG 3.6Å; C223-S225 PolarHBondContact O-N 2.95Å
224W97.9Very high94.6Very high34 Ų3444.7 Ų44.713%0.12924%0.238CC..EExtended strand (participates in β ladder)trans-61.2128.1169-64.3114.9000110.2T206 A211 T214 I216 F217 Q226 L236 F239 P240 V242T206-W224 HydrophobicContact CG2-CZ2 4.13Å; A211-W224 HydrophobicContact CB-CH2 3.9Å; A211-W224 HydrophobicContact CB-CZ2 4.15Å; A211-W224 HydrophobicContact CB-CZ3 4.49Å; T214-W224 HydrophobicContact CG2-CH2 4.04Å; T214-W224 HydrophobicContact CG2-CZ3 4.07Å; I216-W224 HydrophobicContact CB-CE3 4.22Å; I216-W224 HydrophobicContact CB-CZ3 4.24Å; I216-W224 HydrophobicContact CG2-CE3 4.04Å; F217-W224 HydrophobicContact CB-CE3 4.03Å; F217-W224 HydrophobicContact CB-CZ3 3.98Å; F217-W224 HydrophobicContact CD2-CD2 4.18Å; F217-W224 HydrophobicContact CD2-CE3 4.13Å; F217-W224 HydrophobicContact CD2-CZ3 4.45Å; W224-Q226 PolarHBondContact O-N 3.37Å; W224-L236 HydrophobicContact CB-CD2 3.74Å; W224-F239 HydrophobicContact CD2-CB 3.94Å; W224-F239 HydrophobicContact CD2-CD1 4.08Å; W224-F239 AromaticContact CD2-CG 3.98Å; W224-F239 HydrophobicContact CD2-CG 3.98Å; W224-F239 AromaticContact CE3-CD1 3.99Å; W224-F239 HydrophobicContact CE3-CD1 3.99Å; W224-F239 HydrophobicContact CE3-CE1 4.42Å; W224-F239 HydrophobicContact CE3-CG 4.3Å; W224-F239 HydrophobicContact CG-CB 4.03Å; W224-F239 HydrophobicContact CG-CG 4.24Å; W224-F239 HydrophobicContact CH2-CD1 4.16Å; W224-F239 HydrophobicContact CZ2-CB 4.21Å; W224-F239 HydrophobicContact CZ2-CD1 4.24Å; W224-F239 HydrophobicContact CZ3-CD1 4.02Å; W224-F239 HydrophobicContact CZ3-CE1 4.4Å; W224-P240 HydrophobicContact CZ2-CG 4Å; W224-P240 PolarHBondContact NE1-O 2.65Å; W224-V242 HydrophobicContact CZ2-CG2 3.78Å
225S96.6Very high94.6Very high15 Ų1546.3 Ų46.311%0.10525%0.249CC..  trans-69.7104.3-173-176.40000111.5I216 C223 F227 L228 C229I216-S225 WeakPolarHBondContact O-CB 3.49Å; I216-S225 PolarHBondContact O-N 2.82Å; C223-S225 PolarHBondContact O-N 2.95Å; S225-F227 PolarHBondContact O-N 3.42Å; S225-L228 PolarHBondContact O-N 3.07Å; S225-L228 PolarHBondContact OG-N 3.37Å; S225-C229 WeakPolarHBondContact O-CB 3.49Å; S225-C229 PolarHBondContact O-N 3.09Å; S225-C229 PolarHBondContact O-SG 2.82Å; S225-C229 VanDerWaalsContact O-SG 3.33Å
226Q95.9Very high94.7Very high113 Ų11348.3 Ų48.353%0.52826%0.256SS..Hα-helixtrans-56.7-41.9173.5179.368.970.100111.5W224 C229 S230 L236W224-Q226 PolarHBondContact O-N 3.37Å; Q226-C229 PolarHBondContact O-N 3.05Å; Q226-S230 PolarHBondContact NE2-OG 3.34Å; Q226-S230 VanDerWaalsContact NE2-OG 3.13Å; Q226-S230 WeakPolarHBondContact O-CB 3.48Å; Q226-S230 PolarHBondContact O-N 3.22Å; Q226-S230 PolarHBondContact O-OG 2.62Å; Q226-S230 VanDerWaalsContact O-OG 3.11Å; Q226-L236 HydrophobicContact CB-CD1 4.36Å; Q226-L236 HydrophobicContact CG-CD1 4.45Å
227F93.5Very high94.7Very high141 Ų14152.2 Ų52.262%0.61828%0.283SS*.Hα-helixtrans-60-51.2179.4171.8-100000111.4I133 S225 S230 L231I133-F227 HydrophobicContact CD1-CZ 4.45Å; S225-F227 PolarHBondContact O-N 3.42Å; F227-S230 PolarHBondContact O-N 3.38Å; F227-L231 HydrophobicContact CE1-CD2 4.19Å; F227-L231 HydrophobicContact CZ-CD2 4.4Å; F227-L231 VanDerWaalsContact O-CB 3.31Å; F227-L231 WeakPolarHBondContact O-CB 3.41Å; F227-L231 PolarHBondContact O-N 3.17Å
228L93.1Very high94.7Very high21 Ų2151.7 Ų51.711%0.1128%0.281CS..Hα-helixtrans-66.8-43.7-179.2-178.957.3000111.1F157 T163 G215 S225 S230 L231 V232F157-L228 HydrophobicContact CE1-CD1 3.88Å; F157-L228 HydrophobicContact CZ-CD1 3.95Å; T163-L228 HydrophobicContact CG2-CD2 4.32Å; T163-L228 HydrophobicContact CG2-CG 4.49Å; G215-L228 WeakPolarHBondContact O-CD2 3.49Å; S225-L228 PolarHBondContact O-N 3.07Å; S225-L228 PolarHBondContact OG-N 3.37Å; L228-S230 VanDerWaalsContact C-N 3.32Å; L228-S230 PolarHBondContact O-N 2.9Å; L228-L231 HydrophobicContact CD1-CD2 4.29Å; L228-L231 WeakPolarHBondContact O-CB 3.35Å; L228-L231 PolarHBondContact O-N 3Å; L228-L231 VanDerWaalsContact O-N 3.11Å; L228-V232 HydrophobicContact CD1-CG1 4.29Å; L228-V232 HydrophobicContact CD1-CG2 4.45Å; L228-V232 WeakPolarHBondContact O-CG2 3.42Å; L228-V232 PolarHBondContact O-N 3.48Å
229C95.8Very high94.9Very high1 Ų150.6 Ų50.61%0.00728%0.275CS..Hα-helixtrans-57.4-44.4176.5-740000112S225 Q226 S233 L234 L236S225-C229 WeakPolarHBondContact O-CB 3.49Å; S225-C229 PolarHBondContact O-N 3.09Å; S225-C229 PolarHBondContact O-SG 2.82Å; S225-C229 VanDerWaalsContact O-SG 3.33Å; Q226-C229 PolarHBondContact O-N 3.05Å; C229-S233 CarbonylContact O-C 3.57Å; C229-S233 WeakPolarHBondContact O-CA 3.4Å; C229-S233 PolarHBondContact O-N 2.62Å; C229-L234 HydrophobicContact CB-CB 4.29Å; C229-L234 WeakPolarHBondContact CB-O 3.33Å; C229-L234 PolarHBondContact O-N 3.02Å; C229-L236 HydrophobicContact CB-CD2 4Å; C229-L236 HydrophobicContact CB-CG 4.08Å; C229-L236 VanDerWaalsContact SG-CD2 3.55Å
230S95.5Very high95.2Very high76 Ų7650.2 Ų50.253%0.53127%0.272SS..Hα-helixtrans-66.9-37.9174.5-660000112.8Q226 F227 L228 V232Q226-S230 PolarHBondContact NE2-OG 3.34Å; Q226-S230 VanDerWaalsContact NE2-OG 3.13Å; Q226-S230 WeakPolarHBondContact O-CB 3.48Å; Q226-S230 PolarHBondContact O-N 3.22Å; Q226-S230 PolarHBondContact O-OG 2.62Å; Q226-S230 VanDerWaalsContact O-OG 3.11Å; F227-S230 PolarHBondContact O-N 3.38Å; L228-S230 VanDerWaalsContact C-N 3.32Å; L228-S230 PolarHBondContact O-N 2.9Å; S230-V232 VanDerWaalsContact C-N 3.31Å; S230-V232 PolarHBondContact O-N 3Å
231L93.8Very high95.6Very high42 Ų4252.7 Ų52.722%0.2229%0.286CS..Hα-helixtrans-61.9-38.1179.6-17865.5000112.5W124 I129 I133 F227 L228W124-L231 WeakPolarHBondContact CH2-O 3.2Å; W124-L231 HydrophobicContact CZ3-CG 4.29Å; I129-L231 HydrophobicContact CG2-CD1 3.78Å; I133-L231 HydrophobicContact CD1-CD1 4.4Å; I133-L231 HydrophobicContact CD1-CD2 3.95Å; F227-L231 HydrophobicContact CE1-CD2 4.19Å; F227-L231 HydrophobicContact CZ-CD2 4.4Å; F227-L231 VanDerWaalsContact O-CB 3.31Å; F227-L231 WeakPolarHBondContact O-CB 3.41Å; F227-L231 PolarHBondContact O-N 3.17Å; L228-L231 HydrophobicContact CD1-CD2 4.29Å; L228-L231 WeakPolarHBondContact O-CB 3.35Å; L228-L231 PolarHBondContact O-N 3Å; L228-L231 VanDerWaalsContact O-N 3.11Å
232V93.5Very high95.9Very high10 Ų1047.2 Ų47.26%0.06126%0.262CS..THydrogen-bonded Turntrans-110.413.3-177-63.10000113.8W124 T163 F164 I167 L228 S230 L234W124-V232 HydrophobicContact CH2-CG1 3.99Å; W124-V232 HydrophobicContact CZ2-CG1 4.3Å; W124-V232 HydrophobicContact CZ3-CG1 4.15Å; T163-V232 HydrophobicContact CG2-CG2 4.22Å; F164-V232 HydrophobicContact CZ-CG1 4.04Å; I167-V232 HydrophobicContact CD1-CB 3.56Å; I167-V232 HydrophobicContact CD1-CG1 3.98Å; I167-V232 HydrophobicContact CD1-CG2 3.9Å; I167-V232 HydrophobicContact CG1-CB 4.37Å; I167-V232 HydrophobicContact CG1-CG2 4.49Å; L228-V232 HydrophobicContact CD1-CG1 4.29Å; L228-V232 HydrophobicContact CD1-CG2 4.45Å; L228-V232 WeakPolarHBondContact O-CG2 3.42Å; L228-V232 PolarHBondContact O-N 3.48Å; S230-V232 VanDerWaalsContact C-N 3.31Å; S230-V232 PolarHBondContact O-N 3Å; V232-L234 VanDerWaalsContact C-N 3.31Å; V232-L234 HydrophobicContact CG2-CB 4.38Å; V232-L234 HydrophobicContact CG2-CD1 3.7Å; V232-L234 HydrophobicContact CG2-CG 3.69Å; V232-L234 PolarHBondContact O-N 2.87Å
233S93.4Very high96Very high103 Ų10347.3 Ų47.372%0.7226%0.262SS*.THydrogen-bonded Turntrans55.438.8178.9-55.10000114.7C229C229-S233 CarbonylContact O-C 3.57Å; C229-S233 WeakPolarHBondContact O-CA 3.4Å; C229-S233 PolarHBondContact O-N 2.62Å
234L95.7Very high96Very high8 Ų846.8 Ų46.84%0.04226%0.256CS..  trans-87.8127.3171.2-68.3176.5000110.5T163 L166 I167 L170 I216 C229 V232 L236 F239T163-L234 HydrophobicContact CG2-CD1 4.37Å; L166-L234 HydrophobicContact CD2-CD1 4.33Å; L166-L234 HydrophobicContact CD2-CD2 4.04Å; L166-L234 HydrophobicContact CG-CD2 4.01Å; I167-L234 HydrophobicContact CG1-CD1 4.41Å; I167-L234 HydrophobicContact CG1-CD2 3.87Å; I167-L234 HydrophobicContact CG1-CG 4.19Å; L170-L234 HydrophobicContact CD1-CD2 3.47Å; L170-L234 VanDerWaalsContact CD1-CD2 3.47Å; I216-L234 HydrophobicContact CD1-CD1 4Å; C229-L234 HydrophobicContact CB-CB 4.29Å; C229-L234 WeakPolarHBondContact CB-O 3.33Å; C229-L234 PolarHBondContact O-N 3.02Å; V232-L234 VanDerWaalsContact C-N 3.31Å; V232-L234 HydrophobicContact CG2-CB 4.38Å; V232-L234 HydrophobicContact CG2-CD1 3.7Å; V232-L234 HydrophobicContact CG2-CG 3.69Å; V232-L234 PolarHBondContact O-N 2.87Å; L234-L236 PolarHBondContact O-N 3.46Å; L234-F239 HydrophobicContact CD1-CZ 4.4Å
235P95.2Very high95.8Very high34 Ų3445.1 Ų45.122%0.22125%0.25CC..  trans-73.1127.3178.129.4-33.8000110.4I180 S237 I238I180-P235 HydrophobicContact CD1-CG 4.04Å; I180-P235 HydrophobicContact CG1-CG 4.39Å; I180-P235 HydrophobicContact CG2-CB 4.22Å; I180-P235 HydrophobicContact CG2-CG 3.85Å; P235-S237 PolarHBondContact O-N 3.1Å; P235-I238 HydrophobicContact CG-CD1 4.11Å; P235-I238 HydrophobicContact CG-CG1 4.41Å; P235-I238 HydrophobicContact CG-CG2 3.9Å; P235-I238 WeakPolarHBondContact O-CG1 3.33Å
236L96Very high95.5Very high58 Ų5845.5 Ų45.530%0.30426%0.256SS..G310 helixtrans-66.5-23.3179.6-81.3172.7000114.1W224 Q226 C229 L234 I238 F239W224-L236 HydrophobicContact CB-CD2 3.74Å; Q226-L236 HydrophobicContact CB-CD1 4.36Å; Q226-L236 HydrophobicContact CG-CD1 4.45Å; C229-L236 HydrophobicContact CB-CD2 4Å; C229-L236 HydrophobicContact CB-CG 4.08Å; C229-L236 VanDerWaalsContact SG-CD2 3.55Å; L234-L236 PolarHBondContact O-N 3.46Å; L236-I238 PolarHBondContact O-N 3.17Å; L236-F239 HydrophobicContact CD2-CD2 4.18Å; L236-F239 HydrophobicContact CD2-CE2 4.45Å; L236-F239 PolarHBondContact O-N 2.69Å
237S95.5Very high95.3Very high83 Ų8343.4 Ų43.458%0.5825%0.246SC*.G310 helixtrans-66.2-18.6-175.652.40000114.7P235P235-S237 PolarHBondContact O-N 3.1Å
238I97.5Very high95.5Very high2 Ų242.9 Ų42.91%0.0124%0.243CC..G310 helixtrans-82-21.1179.870.4-178.3000112.6L166 I180 C185 F187 H204 P235 L236L166-I238 HydrophobicContact CD2-CD1 4.14Å; I180-I238 HydrophobicContact CD1-CG2 4.25Å; I180-I238 HydrophobicContact CG1-CG2 3.77Å; C185-I238 HydrophobicContact CB-CG2 4Å; F187-I238 HydrophobicContact CB-CB 4.12Å; F187-I238 HydrophobicContact CB-CD1 3.99Å; F187-I238 HydrophobicContact CB-CG1 3.82Å; F187-I238 WeakPolarHBondContact CB-O 3.03Å; F187-I238 PolarHBondContact N-O 3.34Å; H204-I238 PolarHBondContact CE1-O 3.18Å; H204-I238 VanDerWaalsContact CE1-O 3.27Å; P235-I238 HydrophobicContact CG-CD1 4.11Å; P235-I238 HydrophobicContact CG-CG1 4.41Å; P235-I238 HydrophobicContact CG-CG2 3.9Å; P235-I238 WeakPolarHBondContact O-CG1 3.33Å; L236-I238 PolarHBondContact O-N 3.17Å
239F98.4Very high95.7Very high15 Ų1542 Ų427%0.06624%0.239CC..SBendtrans-76.2145.7-172.6-66.6-75.8000111.9L166 F187 I216 W224 L234 L236L166-F239 HydrophobicContact CD2-CE1 4.16Å; L166-F239 HydrophobicContact CD2-CZ 4.1Å; F187-F239 AromaticContact CD1-CD1 3.43Å; F187-F239 HydrophobicContact CD1-CD1 3.43Å; F187-F239 VanDerWaalsContact CD1-CD1 3.43Å; F187-F239 AromaticContact CD1-CE1 3.79Å; F187-F239 HydrophobicContact CD1-CE1 3.79Å; F187-F239 HydrophobicContact CD1-CG 4.45Å; F187-F239 AromaticContact CE1-CD1 3.78Å; F187-F239 HydrophobicContact CE1-CD1 3.78Å; F187-F239 AromaticContact CE1-CE1 3.94Å; F187-F239 HydrophobicContact CE1-CE1 3.94Å; F187-F239 HydrophobicContact CG-CD1 4.19Å; F187-F239 HydrophobicContact CG-CE1 4.26Å; I216-F239 HydrophobicContact CD1-CE1 3.69Å; I216-F239 HydrophobicContact CD1-CZ 3.79Å; I216-F239 HydrophobicContact CG2-CE1 4.21Å; I216-F239 HydrophobicContact CG2-CE2 4.45Å; I216-F239 HydrophobicContact CG2-CZ 3.91Å; W224-F239 HydrophobicContact CD2-CB 3.94Å; W224-F239 HydrophobicContact CD2-CD1 4.08Å; W224-F239 AromaticContact CD2-CG 3.98Å; W224-F239 HydrophobicContact CD2-CG 3.98Å; W224-F239 AromaticContact CE3-CD1 3.99Å; W224-F239 HydrophobicContact CE3-CD1 3.99Å; W224-F239 HydrophobicContact CE3-CE1 4.42Å; W224-F239 HydrophobicContact CE3-CG 4.3Å; W224-F239 HydrophobicContact CG-CB 4.03Å; W224-F239 HydrophobicContact CG-CG 4.24Å; W224-F239 HydrophobicContact CH2-CD1 4.16Å; W224-F239 HydrophobicContact CZ2-CB 4.21Å; W224-F239 HydrophobicContact CZ2-CD1 4.24Å; W224-F239 HydrophobicContact CZ3-CD1 4.02Å; W224-F239 HydrophobicContact CZ3-CE1 4.4Å; L234-F239 HydrophobicContact CD1-CZ 4.4Å; L236-F239 HydrophobicContact CD2-CD2 4.18Å; L236-F239 HydrophobicContact CD2-CE2 4.45Å; L236-F239 PolarHBondContact O-N 2.69Å
240P98.2Very high95.8Very high2 Ų243.1 Ų43.11%0.01325%0.25CS..PPolyproline II helixtrans-70.2160.4177.728.9-33.9000112T192 T206 W224T192-P240 HydrophobicContact CG2-CB 3.61Å; T192-P240 HydrophobicContact CG2-CG 3.83Å; T206-P240 HydrophobicContact CG2-CB 4.41Å; T206-P240 HydrophobicContact CG2-CG 3.75Å; W224-P240 HydrophobicContact CZ2-CG 4Å; W224-P240 PolarHBondContact NE1-O 2.65Å
241Q98.1Very high95.9Very high126 Ų12641.2 Ų41.259%0.58924%0.237SC*.EExtended strand (participates in β ladder)trans-63.6136.2166-177.1166.2-5.200109.9H204 A205 T206 E243H204-Q241 PolarHBondContact O-N 3.33Å; H204-Q241 VanDerWaalsContact O-N 3.11Å; A205-Q241 CarbonylContact C-O 3.56Å; A205-Q241 WeakPolarHBondContact CA-O 3.32Å; A205-Q241 HydrophobicContact CB-CB 4.47Å; T206-Q241 PolarHBondContact N-O 3.09Å; Q241-E243 HydrophobicContact CG-CG 4.36Å; Q241-E243 PolarHBondContact NE2-OE1 3.02Å
242V98.2Very high96.1Very high23 Ų2339.2 Ų39.214%0.13923%0.226CC..EExtended strand (participates in β ladder)trans-99.7117.9177.5-171.70000108.7T206 Y208 A211 F217 W224T206-V242 HydrophobicContact CG2-CB 4.43Å; T206-V242 HydrophobicContact CG2-CG1 4.42Å; T206-V242 HydrophobicContact CG2-CG2 3.9Å; T206-V242 WeakPolarHBondContact O-CA 3.35Å; Y208-V242 HydrophobicContact CD1-CG1 3.54Å; Y208-V242 HydrophobicContact CD2-CG1 4.27Å; Y208-V242 HydrophobicContact CE1-CB 4.48Å; Y208-V242 HydrophobicContact CE1-CG1 3.7Å; Y208-V242 HydrophobicContact CE2-CG1 4.41Å; Y208-V242 HydrophobicContact CG-CG1 3.86Å; A211-V242 HydrophobicContact CB-CG1 4Å; A211-V242 HydrophobicContact CB-CG2 4.06Å; F217-V242 HydrophobicContact CD2-CG2 4.24Å; F217-V242 HydrophobicContact CE2-CB 4.23Å; F217-V242 HydrophobicContact CE2-CG1 4.02Å; F217-V242 HydrophobicContact CE2-CG2 3.87Å; F217-V242 HydrophobicContact CZ-CG1 4.33Å; W224-V242 HydrophobicContact CZ2-CG2 3.78Å
243E97.6Very high96.3Very high36 Ų3639.7 Ų39.717%0.16823%0.228CC..EExtended strand (participates in β ladder)trans-110.6165.7-176.7-72.6-63.7161.100112.1A205 T206 D207 Y208 Q241 H247 F249A205-E243 HydrophobicContact CB-CG 4.39Å; T206-E243 PolarHBondContact O-N 3.1Å; D207-E243 WeakPolarHBondContact CA-O 3.39Å; Y208-E243 WeakPolarHBondContact CD2-O 3.47Å; Y208-E243 VanDerWaalsContact CE2-C 3.49Å; Y208-E243 VanDerWaalsContact CE2-O 3.24Å; Y208-E243 WeakPolarHBondContact CE2-O 3.37Å; Q241-E243 HydrophobicContact CG-CG 4.36Å; Q241-E243 PolarHBondContact NE2-OE1 3.02Å; E243-H247 HydrophobicContact CB-CB 3.95Å; E243-H247 IonicContact OE2-CE1 3.98Å; E243-H247 PolarHBondContact OE2-CE1 2.77Å; E243-H247 IonicContact OE2-CG 3.97Å; E243-H247 IonicContact OE2-ND1 2.78Å; E243-H247 PolarHBondContact OE2-ND1 2.9Å; E243-F249 HydrophobicContact CB-CE1 3.62Å; E243-F249 HydrophobicContact CB-CZ 3.87Å; E243-F249 HydrophobicContact CG-CE1 4.2Å
244N96.6Very high96.5Very high39 Ų3937.8 Ų37.821%0.20921%0.214CC..  trans-57.4142.8169.6-71.3-9.8000110.4G246 H247 F249 K317 G319N244-G246 VanDerWaalsContact C-N 3.25Å; N244-G246 PolarHBondContact O-N 3.32Å; N244-H247 HydrophobicContact CB-CB 4.24Å; N244-H247 WeakPolarHBondContact O-CB 3.39Å; N244-H247 PolarHBondContact O-N 3.03Å; N244-F249 WeakPolarHBondContact O-CZ 3.22Å; N244-K317 CarbonylContact C-O 3.52Å; N244-K317 WeakPolarHBondContact CB-O 3.45Å; N244-K317 WeakPolarHBondContact OD1-CD 3.46Å; N244-K317 WeakPolarHBondContact OD1-CE 3.24Å; N244-K317 WeakPolarHBondContact OD1-CG 3.12Å; N244-G319 PolarHBondContact ND2-O 3.07Å
245T94.5Very high96.6Very high0 Ų041.1 Ų41.10%024%0.238CC..THydrogen-bonded Turntrans-57.3-37.8179.8-52.90000112.6D207 M267 W316 K317 V469D207-T245 PolarHBondContact OD2-OG1 2.69Å; D207-T245 VanDerWaalsContact OD2-OG1 3.09Å; T245-M267 HydrophobicContact CG2-CE 3.72Å; T245-M267 HydrophobicContact CG2-CG 3.46Å; T245-M267 VanDerWaalsContact CG2-CG 3.46Å; T245-M267 HydrophobicContact CG2-SD 3.74Å; T245-W316 HydrophobicContact CG2-CB 4.03Å; T245-W316 WeakPolarHBondContact OG1-CA 3.32Å; T245-K317 WeakPolarHBondContact CB-O 3.41Å; T245-K317 PolarHBondContact N-O 3.17Å; T245-K317 PolarHBondContact OG1-N 3Å; T245-V469 HydrophobicContact CG2-CG1 4.36Å
246G89.1Confident96.7Very high23 Ų2340.7 Ų40.724%0.23723%0.233CC..THydrogen-bonded Turntrans-92.723.6173.800000114.8N244N244-G246 VanDerWaalsContact C-N 3.25Å; N244-G246 PolarHBondContact O-N 3.32Å
247H92.8Very high96.6Very high69 Ų6938.8 Ų38.832%0.31922%0.223SC..  trans-70.5153.9177.9-177.189.2000111.4E243 N244 F249 M264E243-H247 HydrophobicContact CB-CB 3.95Å; E243-H247 IonicContact OE2-CE1 3.98Å; E243-H247 PolarHBondContact OE2-CE1 2.77Å; E243-H247 IonicContact OE2-CG 3.97Å; E243-H247 IonicContact OE2-ND1 2.78Å; E243-H247 PolarHBondContact OE2-ND1 2.9Å; N244-H247 HydrophobicContact CB-CB 4.24Å; N244-H247 WeakPolarHBondContact O-CB 3.39Å; N244-H247 PolarHBondContact O-N 3.03Å; H247-F249 HydrophobicContact CB-CD2 4.27Å; H247-F249 HydrophobicContact CB-CE2 3.85Å; H247-F249 HydrophobicContact CB-CZ 4Å; H247-F249 WeakPolarHBondContact O-CD2 3.22Å; H247-F249 WeakPolarHBondContact O-CE2 3.37Å; H247-F249 PolarHBondContact O-N 3.18Å; H247-M264 CarbonylContact O-C 3.3Å
248K96.8Very high96.7Very high130 Ų13037.8 Ų37.857%0.56523%0.226SC*.  trans-81.991.2168.9-178.9176.2-178.61780109.5G250 M264K248-G250 PolarHBondContact O-N 3.25Å; K248-M264 HydrophobicContact CB-CE 4.14Å; K248-M264 HydrophobicContact CB-SD 3.83Å; K248-M264 HydrophobicContact CD-SD 4.35Å; K248-M264 HydrophobicContact CG-SD 3.71Å
249F97.4Very high96.6Very high3 Ų340 Ų401%0.01324%0.24CC..  trans-71.621.1-178.3-66.5-88.6000114.2L195 V203 A205 D207 E243 N244 H247 I263 V266L195-F249 HydrophobicContact CD1-CB 4.2Å; L195-F249 HydrophobicContact CD1-CD1 3.59Å; L195-F249 HydrophobicContact CD1-CE1 4.17Å; L195-F249 HydrophobicContact CD1-CG 4.04Å; L195-F249 HydrophobicContact CD2-CB 3.69Å; L195-F249 HydrophobicContact CD2-CG 4.28Å; V203-F249 WeakPolarHBondContact CG2-O 3.46Å; A205-F249 HydrophobicContact CB-CD1 4.15Å; A205-F249 HydrophobicContact CB-CE1 4.3Å; D207-F249 HydrophobicContact CB-CZ 4.25Å; E243-F249 HydrophobicContact CB-CE1 3.62Å; E243-F249 HydrophobicContact CB-CZ 3.87Å; E243-F249 HydrophobicContact CG-CE1 4.2Å; N244-F249 WeakPolarHBondContact O-CZ 3.22Å; H247-F249 HydrophobicContact CB-CD2 4.27Å; H247-F249 HydrophobicContact CB-CE2 3.85Å; H247-F249 HydrophobicContact CB-CZ 4Å; H247-F249 WeakPolarHBondContact O-CD2 3.22Å; H247-F249 WeakPolarHBondContact O-CE2 3.37Å; H247-F249 PolarHBondContact O-N 3.18Å; F249-I263 HydrophobicContact CB-CB 4.34Å; F249-I263 HydrophobicContact CB-CG2 4.34Å; F249-I263 PolarHBondContact N-O 3.47Å; F249-V266 HydrophobicContact CD1-CG2 4.45Å; F249-V266 HydrophobicContact CD2-CG2 4.47Å; F249-V266 HydrophobicContact CE1-CG2 3.89Å; F249-V266 HydrophobicContact CE2-CG2 3.96Å; F249-V266 HydrophobicContact CZ-CG2 3.65Å
250G97.1Very high96.6Very high24 Ų2442.2 Ų42.225%0.24726%0.257CS..  trans89.8-155.3-170.600000112.6K248 I263K248-G250 PolarHBondContact O-N 3.25Å; G250-I263 PolarHBondContact O-N 2.88Å
251S98.2Very high96.6Very high35 Ų3542.2 Ų42.225%0.24526%0.257CS..BIsolated β-bridgetrans-138.6154.7178.9-55.50000109.7S260 V261S251-S260 WeakPolarHBondContact CB-OG 3.33Å; S251-V261 CarbonylContact C-O 3.6Å; S251-V261 VanDerWaalsContact CA-O 3.29Å; S251-V261 WeakPolarHBondContact CA-O 3.15Å; S251-V261 WeakPolarHBondContact CB-O 3.14Å
252T98.4Very high96.6Very high0 Ų037.8 Ų37.80%024%0.239CC..  trans-58.1141.5172.366.20000110.4L86 L198 L257 V259 S260 V261 I263L86-T252 HydrophobicContact CD2-CG2 4.18Å; L198-T252 HydrophobicContact CB-CG2 4.37Å; L198-T252 HydrophobicContact CD2-CG2 3.97Å; L198-T252 CarbonylContact O-C 3.53Å; L198-T252 WeakPolarHBondContact O-CA 3.21Å; T252-L257 HydrophobicContact CG2-CD1 3.96Å; T252-V259 PolarHBondContact OG1-O 2.74Å; T252-S260 WeakPolarHBondContact O-CA 3.4Å; T252-S260 PolarHBondContact O-OG 2.99Å; T252-V261 HydrophobicContact CG2-CB 4.33Å; T252-V261 PolarHBondContact N-O 2.91Å; T252-V261 PolarHBondContact OG1-N 3.02Å; T252-I263 HydrophobicContact CG2-CD1 4.09Å; T252-I263 HydrophobicContact CG2-CG1 4.07Å
253D98.1Very high96.7Very high20 Ų2036.7 Ų36.711%0.10723%0.233CC..  trans-66.8130172.2-171.4-80.2000109.7L198 K200 R202 S255 I256L198-D253 PolarHBondContact O-N 2.94Å; K200-D253 HydrophobicContact CD-CB 4.14Å; K200-D253 WeakPolarHBondContact CD-OD2 3.33Å; K200-D253 WeakPolarHBondContact CE-OD1 3.11Å; K200-D253 HydrophobicContact CG-CB 3.9Å; K200-D253 IonicContact NZ-OD1 3.25Å; K200-D253 PolarHBondContact NZ-OD1 3.34Å; R202-D253 IonicContact CZ-OD2 3.83Å; R202-D253 IonicContact NH2-OD2 3.74Å; R202-D253 PolarHBondContact NH2-OD2 2.97Å; D253-S255 PolarHBondContact O-N 2.93Å; D253-S255 WeakPolarHBondContact OD1-CB 3.37Å; D253-S255 PolarHBondContact OD1-N 2.65Å; D253-S255 PolarHBondContact OD1-OG 3.14Å; D253-I256 HydrophobicContact CB-CD1 3.98Å; D253-I256 HydrophobicContact CB-CG1 4.25Å; D253-I256 WeakPolarHBondContact O-CB 3.5Å; D253-I256 PolarHBondContact O-N 2.68Å
254P97.4Very high96.7Very high64 Ų6435.6 Ų35.642%0.41623%0.228SC..Hα-helixtrans-56.2-26.5-176.8-27.734.3000114.7I256 G258P254-I256 PolarHBondContact O-N 2.98Å; P254-G258 CarbonylContact O-C 3.6Å; P254-G258 VanDerWaalsContact O-C 3.31Å; P254-G258 WeakPolarHBondContact O-CA 3.4Å; P254-G258 PolarHBondContact O-N 3.2Å
255S97.3Very high96.7Very high78 Ų7833.7 Ų33.755%0.54522%0.218SC..Hα-helixtrans-68.6-15.1178.264.70000114.1K200 D253K200-S255 WeakPolarHBondContact CE-OG 3.37Å; K200-S255 PolarHBondContact NZ-OG 3.3Å; D253-S255 PolarHBondContact O-N 2.93Å; D253-S255 WeakPolarHBondContact OD1-CB 3.37Å; D253-S255 PolarHBondContact OD1-N 2.65Å; D253-S255 PolarHBondContact OD1-OG 3.14Å
256I97Very high96.8Very high25 Ų2533.7 Ų33.713%0.12822%0.218CC..Hα-helixtrans-86.2-48.4-178.2-58.7174.2000110.7W62 I66 K197 L198 D253 P254W62-I256 HydrophobicContact CH2-CD1 4.19Å; W62-I256 HydrophobicContact CH2-CG2 4.05Å; W62-I256 HydrophobicContact CZ2-CD1 4.31Å; W62-I256 HydrophobicContact CZ2-CG2 3.93Å; I66-I256 HydrophobicContact CD1-CG2 3.45Å; I66-I256 VanDerWaalsContact CD1-CG2 3.45Å; K197-I256 WeakPolarHBondContact O-CD1 3.44Å; L198-I256 HydrophobicContact CD2-CG2 4.5Å; L198-I256 WeakPolarHBondContact O-CD1 3.38Å; D253-I256 HydrophobicContact CB-CD1 3.98Å; D253-I256 HydrophobicContact CB-CG1 4.25Å; D253-I256 WeakPolarHBondContact O-CB 3.5Å; D253-I256 PolarHBondContact O-N 2.68Å; P254-I256 PolarHBondContact O-N 2.98Å
257L95.4Very high97.2Very high17 Ų1732.6 Ų32.69%0.08921%0.206CC..Hα-helixtrans-1143.6-173.6-58-176.8000113.9I66 V69 M80 T252 V259 V261I66-L257 HydrophobicContact CD1-CD2 4.28Å; V69-L257 HydrophobicContact CG1-CD1 4.26Å; V69-L257 HydrophobicContact CG1-CD2 3.79Å; M80-L257 HydrophobicContact CE-CD1 4.5Å; M80-L257 HydrophobicContact CE-CD2 4.41Å; M80-L257 HydrophobicContact CG-CB 4.17Å; M80-L257 HydrophobicContact SD-CD1 4.26Å; T252-L257 HydrophobicContact CG2-CD1 3.96Å; L257-V259 PolarHBondContact O-N 3.24Å; L257-V261 HydrophobicContact CD1-CG2 4.31Å
258G95.9Very high97.4Very high63 Ų6329.3 Ų29.365%0.64919%0.191SC*.SBendtrans79.1-20.8-173.500000114.1P254P254-G258 CarbonylContact O-C 3.6Å; P254-G258 VanDerWaalsContact O-C 3.31Å; P254-G258 WeakPolarHBondContact O-CA 3.4Å; P254-G258 PolarHBondContact O-N 3.2Å
259V97.1Very high97.3Very high47 Ų4724.3 Ų24.329%0.28517%0.17SC..SBendtrans-139.2161.9176.3-60.70000110.2M80 C81 T252 L257 V261M80-V259 HydrophobicContact CB-CG2 3.78Å; M80-V259 HydrophobicContact CG-CG2 3.42Å; M80-V259 VanDerWaalsContact CG-CG2 3.42Å; C81-V259 HydrophobicContact CB-CG1 4.22Å; T252-V259 PolarHBondContact OG1-O 2.74Å; L257-V259 PolarHBondContact O-N 3.24Å; V259-V261 HydrophobicContact CG2-CG2 4.14Å
260S97.6Very high97.2Very high63 Ų6324.8 Ų24.844%0.44117%0.173SC..  trans-85.7125.5172.4-160.70000110.1S251 T252S251-S260 WeakPolarHBondContact CB-OG 3.33Å; T252-S260 WeakPolarHBondContact O-CA 3.4Å; T252-S260 PolarHBondContact O-OG 2.99Å
261V98.4Very high97.2Very high1 Ų123.7 Ų23.71%0.00616%0.161CC..  trans-115.4124.3175-176.30000108.2M80 M83 L86 S251 T252 L257 V259 I263M80-V261 HydrophobicContact CG-CG2 4.09Å; M80-V261 HydrophobicContact SD-CG2 4.2Å; M83-V261 HydrophobicContact CB-CG1 4.11Å; M83-V261 HydrophobicContact CB-CG2 4.4Å; L86-V261 HydrophobicContact CB-CG1 4.04Å; S251-V261 CarbonylContact C-O 3.6Å; S251-V261 VanDerWaalsContact CA-O 3.29Å; S251-V261 WeakPolarHBondContact CA-O 3.15Å; S251-V261 WeakPolarHBondContact CB-O 3.14Å; T252-V261 HydrophobicContact CG2-CB 4.33Å; T252-V261 PolarHBondContact N-O 2.91Å; T252-V261 PolarHBondContact OG1-N 3.02Å; L257-V261 HydrophobicContact CD1-CG2 4.31Å; V259-V261 HydrophobicContact CG2-CG2 4.14Å; V261-I263 PolarHBondContact O-N 2.89Å
262P98.4Very high97.2Very high33 Ų3322 Ų2221%0.21415%0.149CC..BIsolated β-bridgetrans-58.9134.7176.1-24.134.4000112E84 A85 L86 M264E84-P262 WeakPolarHBondContact O-CD 3.38Å; E84-P262 WeakPolarHBondContact O-CG 3.24Å; A85-P262 CarbonylContact C-O 3.57Å; A85-P262 WeakPolarHBondContact CA-O 3.49Å; L86-P262 PolarHBondContact N-O 2.92Å; P262-M264 HydrophobicContact CB-CG 3.88Å; P262-M264 HydrophobicContact CB-SD 4.05Å
263I98.6Very high97Very high0 Ų022.2 Ų22.20%015%0.151CC..EExtended strand (participates in β ladder)trans-99.8109.8173.9-48.5173.9000107.5L86 I88 L195 L198 T199 F249 G250 T252 V261 V266L86-I263 HydrophobicContact CD2-CG1 4.32Å; I88-I263 HydrophobicContact CD1-CG2 4.28Å; L195-I263 HydrophobicContact CD2-CB 4.29Å; L195-I263 HydrophobicContact CD2-CD1 3.88Å; L195-I263 HydrophobicContact CD2-CG2 3.68Å; L198-I263 HydrophobicContact CB-CD1 3.84Å; L198-I263 HydrophobicContact CD1-CD1 3.97Å; T199-I263 HydrophobicContact CG2-CD1 4.23Å; F249-I263 HydrophobicContact CB-CB 4.34Å; F249-I263 HydrophobicContact CB-CG2 4.34Å; F249-I263 PolarHBondContact N-O 3.47Å; G250-I263 PolarHBondContact O-N 2.88Å; T252-I263 HydrophobicContact CG2-CD1 4.09Å; T252-I263 HydrophobicContact CG2-CG1 4.07Å; V261-I263 PolarHBondContact O-N 2.89Å; I263-V266 HydrophobicContact CG2-CG1 4.4Å
264M97.9Very high97Very high13 Ų1321.2 Ų21.26%0.06415%0.146CC..EExtended strand (participates in β ladder)trans-117.2-1.8-165.2-63.1-64.4-54.400113.1A85 L86 H247 K248 P262 A470 G473 V474A85-M264 HydrophobicContact CB-CB 4.09Å; A85-M264 HydrophobicContact CB-CG 3.79Å; L86-M264 PolarHBondContact O-N 3.41Å; H247-M264 CarbonylContact O-C 3.3Å; K248-M264 HydrophobicContact CB-CE 4.14Å; K248-M264 HydrophobicContact CB-SD 3.83Å; K248-M264 HydrophobicContact CD-SD 4.35Å; K248-M264 HydrophobicContact CG-SD 3.71Å; P262-M264 HydrophobicContact CB-CG 3.88Å; P262-M264 HydrophobicContact CB-SD 4.05Å; M264-A470 HydrophobicContact CB-CB 3.9Å; M264-G473 WeakPolarHBondContact CE-O 3.27Å; M264-V474 HydrophobicContact CE-CG1 4.05Å; M264-V474 HydrophobicContact CG-CG1 3.64Å; M264-V474 HydrophobicContact SD-CG1 4.11Å
265S97.4Very high96.9Very high0 Ų018.2 Ų18.20%013%0.126CC..EExtended strand (participates in β ladder)trans-158.1131.6175.6-176.70000110.4I88 M267 V469I88-S265 PolarHBondContact N-O 2.79Å; S265-M267 WeakPolarHBondContact OG-CG 3.41Å; S265-V469 WeakPolarHBondContact OG-CB 3.4Å; S265-V469 WeakPolarHBondContact OG-CG1 3.5Å
266V97.1Very high96.9Very high0 Ų014.5 Ų14.50%010%0.101CC..EExtended strand (participates in β ladder)trans-124.9133.5156.7-57.20000108.4I88 D191 L195 D207 F249 I263I88-V266 HydrophobicContact CB-CG1 4.22Å; I88-V266 HydrophobicContact CD1-CG1 4.44Å; I88-V266 CarbonylContact O-C 3.6Å; I88-V266 VanDerWaalsContact O-CA 3.26Å; I88-V266 WeakPolarHBondContact O-CA 3.43Å; D191-V266 HydrophobicContact CB-CB 4.14Å; D191-V266 HydrophobicContact CB-CG2 4.46Å; L195-V266 HydrophobicContact CD1-CB 4.44Å; L195-V266 HydrophobicContact CD1-CG1 3.68Å; L195-V266 HydrophobicContact CD1-CG2 3.99Å; L195-V266 HydrophobicContact CD2-CG1 3.81Å; L195-V266 HydrophobicContact CG-CG1 3.75Å; D207-V266 HydrophobicContact CB-CG2 3.92Å; D207-V266 VanDerWaalsContact CB-O 3.25Å; D207-V266 WeakPolarHBondContact CB-O 3.47Å; F249-V266 HydrophobicContact CD1-CG2 4.45Å; F249-V266 HydrophobicContact CD2-CG2 4.47Å; F249-V266 HydrophobicContact CE1-CG2 3.89Å; F249-V266 HydrophobicContact CE2-CG2 3.96Å; F249-V266 HydrophobicContact CZ-CG2 3.65Å; I263-V266 HydrophobicContact CG2-CG1 4.4Å
267M97.1Very high96.8Very high0 Ų013.4 Ų13.40%010%0.095CC..EExtended strand (participates in β ladder)trans-143.7150.7-173.2-60.7-16968.300111.7I88 S89 T90 N210 T245 S265 Q271 A272 F275 W316 V469I88-M267 PolarHBondContact O-N 2.85Å; S89-M267 CarbonylContact C-O 3.5Å; S89-M267 VanDerWaalsContact CA-O 3.24Å; S89-M267 WeakPolarHBondContact CA-O 3.32Å; T90-M267 PolarHBondContact N-O 2.72Å; N210-M267 PolarHBondContact ND2-O 2.95Å; T245-M267 HydrophobicContact CG2-CE 3.72Å; T245-M267 HydrophobicContact CG2-CG 3.46Å; T245-M267 VanDerWaalsContact CG2-CG 3.46Å; T245-M267 HydrophobicContact CG2-SD 3.74Å; S265-M267 WeakPolarHBondContact OG-CG 3.41Å; M267-Q271 HydrophobicContact CE-CB 4.4Å; M267-A272 HydrophobicContact CB-CB 3.87Å; M267-A272 HydrophobicContact CE-CB 4.37Å; M267-A272 HydrophobicContact SD-CB 4.22Å; M267-F275 HydrophobicContact CE-CB 4.32Å; M267-W316 HydrophobicContact CE-CB 4.34Å; M267-V469 HydrophobicContact CE-CG2 4.36Å; M267-V469 HydrophobicContact SD-CB 4.1Å; M267-V469 HydrophobicContact SD-CG2 3.59Å; M267-V469 VanDerWaalsContact SD-CG2 3.59Å
268A97.1Very high96.8Very high0 Ų012.6 Ų12.60%09%0.091CC..EExtended strand (participates in β ladder)trans-69.2141.1162.900000110.1R92 S209 N210 Q270 Q271 A272R92-A268 HydrophobicContact CG-CB 3.49Å; R92-A268 VanDerWaalsContact CG-CB 3.49Å; S209-A268 PolarHBondContact OG-N 3.35Å; N210-A268 PolarHBondContact ND2-N 3.03Å; N210-A268 VanDerWaalsContact ND2-N 3.16Å; A268-Q270 PolarHBondContact O-N 3.2Å; A268-Q271 HydrophobicContact CB-CB 4.44Å; A268-Q271 PolarHBondContact O-N 3.25Å; A268-A272 WeakPolarHBondContact O-CB 3.21Å; A268-A272 PolarHBondContact O-N 3.19Å
269D94.7Very high96.8Very high24 Ų249.6 Ų9.613%0.1286%0.06CC..Hα-helixtrans-54.3-46.3-173.962.2-12.7000114.8T90 R92 Q271 A272 A273 S462T90-D269 WeakPolarHBondContact O-CB 3.45Å; T90-D269 PolarHBondContact O-N 2.88Å; R92-D269 IonicContact NE-OD1 3.39Å; R92-D269 PolarHBondContact NE-OD1 3.42Å; D269-Q271 PolarHBondContact O-N 3.39Å; D269-A272 PolarHBondContact O-N 3.19Å; D269-A273 WeakPolarHBondContact O-CB 3.14Å; D269-A273 PolarHBondContact O-N 3.45Å; D269-S462 WeakPolarHBondContact CA-OG 3.22Å; D269-S462 PolarHBondContact O-OG 3.46Å
270Q95Very high96.8Very high14 Ų148 Ų87%0.0655%0.049CC..Hα-helixtrans-67.8-38.4-179.1-62.3-48.3-52.100112.5A268 A273 M274 K286 T288 F294A268-Q270 PolarHBondContact O-N 3.2Å; Q270-A273 PolarHBondContact O-N 3.09Å; Q270-M274 PolarHBondContact O-N 2.97Å; Q270-K286 WeakPolarHBondContact O-CE 3.5Å; Q270-K286 PolarHBondContact O-NZ 2.99Å; Q270-K286 VanDerWaalsContact O-NZ 3.12Å; Q270-T288 VanDerWaalsContact OE1-CB 3.26Å; Q270-T288 PolarHBondContact OE1-OG1 2.93Å; Q270-F294 HydrophobicContact CG-CB 4.5Å
271Q97.4Very high96.8Very high0 Ų08.5 Ų8.50%05%0.047CC..Hα-helixtrans-69.2-40.4175.1-73.787.9-25.100111.9M267 A268 D269 A273 M274 F275 V314 G315 L325M267-Q271 HydrophobicContact CE-CB 4.4Å; A268-Q271 HydrophobicContact CB-CB 4.44Å; A268-Q271 PolarHBondContact O-N 3.25Å; D269-Q271 PolarHBondContact O-N 3.39Å; Q271-A273 VanDerWaalsContact C-N 3.33Å; Q271-M274 WeakPolarHBondContact O-CB 3.37Å; Q271-M274 PolarHBondContact O-N 2.9Å; Q271-F275 PolarHBondContact O-N 3.48Å; Q271-V314 WeakPolarHBondContact CG-O 3.41Å; Q271-V314 PolarHBondContact NE2-O 3.21Å; Q271-G315 VanDerWaalsContact CB-O 3.32Å; Q271-G315 WeakPolarHBondContact CB-O 3.22Å; Q271-G315 WeakPolarHBondContact CG-O 3.33Å; Q271-L325 HydrophobicContact CG-CD1 3.88Å
272A97.1Very high96.7Very high0 Ų012.1 Ų12.10%07%0.068CC..Hα-helixtrans-61.6-44.9173.100000110M267 A268 D269 M274 F275 G276 S462 G465M267-A272 HydrophobicContact CB-CB 3.87Å; M267-A272 HydrophobicContact CE-CB 4.37Å; M267-A272 HydrophobicContact SD-CB 4.22Å; A268-A272 WeakPolarHBondContact O-CB 3.21Å; A268-A272 PolarHBondContact O-N 3.19Å; D269-A272 PolarHBondContact O-N 3.19Å; A272-M274 PolarHBondContact O-N 3.43Å; A272-F275 CarbonylContact O-C 3.35Å; A272-F275 WeakPolarHBondContact O-CA 3.48Å; A272-F275 WeakPolarHBondContact O-CB 3.44Å; A272-F275 PolarHBondContact O-N 3.1Å; A272-G276 PolarHBondContact O-N 2.97Å; A272-S462 VanDerWaalsContact CB-O 3.27Å; A272-S462 WeakPolarHBondContact CB-O 3.24Å; A272-G465 WeakPolarHBondContact O-CA 3.42Å
273A95.3Very high96.6Very high4 Ų410.5 Ų10.53%0.0336%0.058CC..Hα-helixtrans-61.7-41175.800000112.7D269 Q270 Q271 F275 G276 E277 M461D269-A273 WeakPolarHBondContact O-CB 3.14Å; D269-A273 PolarHBondContact O-N 3.45Å; Q270-A273 PolarHBondContact O-N 3.09Å; Q271-A273 VanDerWaalsContact C-N 3.33Å; A273-F275 VanDerWaalsContact C-N 3.27Å; A273-F275 PolarHBondContact O-N 3.48Å; A273-G276 PolarHBondContact O-N 2.83Å; A273-E277 VanDerWaalsContact O-CB 3.32Å; A273-E277 WeakPolarHBondContact O-CB 3.36Å; A273-E277 WeakPolarHBondContact O-CG 3.49Å; A273-E277 PolarHBondContact O-N 2.99Å; A273-M461 HydrophobicContact CB-CB 3.97Å
274M96.9Very high96.6Very high0 Ų010.7 Ų10.70%06%0.059CC..Hα-helixtrans-56.3-41.3170.4-82.6-69.8-84.600112.4Q270 Q271 A272 C278 C279 K286 D296 N298 W316 L325Q270-M274 PolarHBondContact O-N 2.97Å; Q271-M274 WeakPolarHBondContact O-CB 3.37Å; Q271-M274 PolarHBondContact O-N 2.9Å; A272-M274 PolarHBondContact O-N 3.43Å; M274-C278 PolarHBondContact O-N 3Å; M274-C279 HydrophobicContact CE-CB 3.65Å; M274-C279 WeakPolarHBondContact O-CB 3.45Å; M274-C279 PolarHBondContact O-N 2.88Å; M274-C279 HydrophobicContact SD-CB 3.72Å; M274-K286 HydrophobicContact CG-CB 4.2Å; M274-K286 HydrophobicContact SD-CB 3.2Å; M274-K286 WeakPolarHBondContact SD-CB 3.36Å; M274-K286 HydrophobicContact SD-CG 4.3Å; M274-D296 HydrophobicContact CE-CB 4.17Å; M274-D296 HydrophobicContact CG-CB 3.82Å; M274-D296 HydrophobicContact SD-CB 3.78Å; M274-N298 HydrophobicContact CE-CB 4.08Å; M274-W316 HydrophobicContact CB-CH2 4.47Å; M274-W316 HydrophobicContact CB-CZ3 3.88Å; M274-L325 HydrophobicContact CB-CD1 4.37Å; M274-L325 HydrophobicContact CE-CD2 3.6Å; M274-L325 HydrophobicContact CG-CD1 3.88Å
275F97Very high96.6Very high0 Ų010 Ų100%06%0.056CC..Hα-helixtrans-70.9-43.7178.7-158.5-82000112.3M267 Q271 A272 A273 E277 C278 F280 W316 I318 F468 V469 L472 L483M267-F275 HydrophobicContact CE-CB 4.32Å; Q271-F275 PolarHBondContact O-N 3.48Å; A272-F275 CarbonylContact O-C 3.35Å; A272-F275 WeakPolarHBondContact O-CA 3.48Å; A272-F275 WeakPolarHBondContact O-CB 3.44Å; A272-F275 PolarHBondContact O-N 3.1Å; A273-F275 VanDerWaalsContact C-N 3.27Å; A273-F275 PolarHBondContact O-N 3.48Å; F275-E277 VanDerWaalsContact C-N 3.28Å; F275-E277 PolarHBondContact O-N 2.87Å; F275-C278 WeakPolarHBondContact O-CA 3.32Å; F275-C278 PolarHBondContact O-N 3.42Å; F275-F280 AromaticContact CD1-CE1 3.88Å; F275-F280 HydrophobicContact CD1-CE1 3.88Å; F275-F280 HydrophobicContact CD1-CZ 4.24Å; F275-F280 HydrophobicContact CD2-CD1 4.28Å; F275-F280 AromaticContact CD2-CE1 3.69Å; F275-F280 HydrophobicContact CD2-CE1 3.69Å; F275-F280 AromaticContact CE1-CE1 3.84Å; F275-F280 HydrophobicContact CE1-CE1 3.84Å; F275-F280 AromaticContact CE1-CZ 3.97Å; F275-F280 HydrophobicContact CE1-CZ 3.97Å; F275-F280 HydrophobicContact CE2-CD1 4.23Å; F275-F280 AromaticContact CE2-CE1 3.65Å; F275-F280 HydrophobicContact CE2-CE1 3.65Å; F275-F280 HydrophobicContact CE2-CZ 4.45Å; F275-F280 AromaticContact CG-CE1 3.81Å; F275-F280 HydrophobicContact CG-CE1 3.81Å; F275-F280 AromaticContact CZ-CE1 3.73Å; F275-F280 HydrophobicContact CZ-CE1 3.73Å; F275-F280 HydrophobicContact CZ-CZ 4.08Å; F275-F280 WeakPolarHBondContact O-CE1 3.4Å; F275-W316 HydrophobicContact CB-CE3 4.36Å; F275-W316 HydrophobicContact CB-CZ3 4.27Å; F275-W316 AromaticContact CD2-CD2 3.66Å; F275-W316 HydrophobicContact CD2-CD2 3.66Å; F275-W316 AromaticContact CD2-CE2 3.74Å; F275-W316 AromaticContact CD2-CE3 3.87Å; F275-W316 HydrophobicContact CD2-CE3 3.87Å; F275-W316 HydrophobicContact CD2-CG 4.15Å; F275-W316 HydrophobicContact CD2-CH2 4.25Å; F275-W316 HydrophobicContact CD2-CZ2 4.05Å; F275-W316 HydrophobicContact CD2-CZ3 4.16Å; F275-W316 HydrophobicContact CE2-CD2 4.22Å; F275-W316 HydrophobicContact CE2-CG 4.39Å; F275-W316 HydrophobicContact CE2-CZ2 4.47Å; F275-I318 HydrophobicContact CE2-CD1 3.53Å; F275-I318 HydrophobicContact CZ-CD1 3.82Å; F275-F468 HydrophobicContact CD1-CB 3.93Å; F275-F468 HydrophobicContact CD1-CD2 4.48Å; F275-F468 HydrophobicContact CE1-CB 3.8Å; F275-V469 HydrophobicContact CD1-CG2 3.71Å; F275-V469 HydrophobicContact CD2-CG2 4.07Å; F275-V469 HydrophobicContact CE1-CG2 3.63Å; F275-V469 HydrophobicContact CE2-CG2 4Å; F275-V469 HydrophobicContact CG-CG2 3.93Å; F275-V469 HydrophobicContact CZ-CG2 3.78Å; F275-L472 HydrophobicContact CE1-CD1 4.1Å; F275-L472 HydrophobicContact CZ-CD1 3.86Å; F275-L483 HydrophobicContact CE1-CD1 3.89Å
276G95.7Very high96.5Very high1 Ų110 Ų101%0.016%0.056CC..Hα-helixtrans-60.7-38.6175.700000112.2A272 A273 C278 Q487A272-G276 PolarHBondContact O-N 2.97Å; A273-G276 PolarHBondContact O-N 2.83Å; G276-C278 PolarHBondContact O-N 3.45Å; G276-C278 VanDerWaalsContact O-N 3.17Å; G276-Q487 PolarHBondContact O-NE2 2.86Å
277E95.3Very high96.5Very high1 Ų110 Ų101%0.0056%0.056CC..THydrogen-bonded Turntrans-73.84.2172.3-75-70.3-170.400114.1A273 F275 C279 K286 R430 P456 M461 Q487A273-E277 VanDerWaalsContact O-CB 3.32Å; A273-E277 WeakPolarHBondContact O-CB 3.36Å; A273-E277 WeakPolarHBondContact O-CG 3.49Å; A273-E277 PolarHBondContact O-N 2.99Å; F275-E277 VanDerWaalsContact C-N 3.28Å; F275-E277 PolarHBondContact O-N 2.87Å; E277-C279 PolarHBondContact O-N 3.27Å; E277-C279 VanDerWaalsContact O-N 3.15Å; E277-K286 HydrophobicContact CG-CG 4.24Å; E277-R430 HydrophobicContact CB-CB 4.16Å; E277-R430 HydrophobicContact CB-CG 4.13Å; E277-R430 HydrophobicContact CG-CB 4Å; E277-R430 HydrophobicContact CG-CG 4.39Å; E277-R430 VanDerWaalsContact OE2-CD 3.28Å; E277-R430 WeakPolarHBondContact OE2-CD 3.38Å; E277-R430 WeakPolarHBondContact OE2-CG 3.42Å; E277-R430 IonicContact OE2-NE 3.64Å; E277-P456 WeakPolarHBondContact OE1-CD 3.44Å; E277-P456 WeakPolarHBondContact OE1-CG 3.31Å; E277-M461 HydrophobicContact CG-CB 4.2Å; E277-M461 HydrophobicContact CG-CG 3.73Å; E277-M461 HydrophobicContact CG-SD 3.86Å; E277-M461 WeakPolarHBondContact OE1-CG 3.41Å; E277-Q487 PolarHBondContact O-NE2 2.9Å
278C96Very high96.3Very high0 Ų010.8 Ų10.80%06%0.06CC..THydrogen-bonded Turntrans49.538.2179.4-58.30000112.3M274 F275 G276 F280 K428 K484 Q487M274-C278 PolarHBondContact O-N 3Å; F275-C278 WeakPolarHBondContact O-CA 3.32Å; F275-C278 PolarHBondContact O-N 3.42Å; G276-C278 PolarHBondContact O-N 3.45Å; G276-C278 VanDerWaalsContact O-N 3.17Å; C278-F280 HydrophobicContact CB-CD2 4.13Å; C278-F280 HydrophobicContact CB-CE1 4.45Å; C278-F280 HydrophobicContact CB-CE2 3.64Å; C278-F280 HydrophobicContact CB-CZ 3.83Å; C278-F280 PolarHBondContact O-N 2.97Å; C278-K428 PolarHBondContact O-NZ 2.83Å; C278-K484 HydrophobicContact CB-CG 3.98Å; C278-Q487 HydrophobicContact CB-CG 4.33Å; C278-Q487 VanDerWaalsContact SG-CD 3.59Å; C278-Q487 PolarHBondContact SG-NE2 2.91Å
279C96.8Very high96.1Very high0 Ų010.8 Ų10.80%06%0.06CC..  trans-78.854.3174.8-700000110.6M274 E277 D284 N298M274-C279 HydrophobicContact CE-CB 3.65Å; M274-C279 WeakPolarHBondContact O-CB 3.45Å; M274-C279 PolarHBondContact O-N 2.88Å; M274-C279 HydrophobicContact SD-CB 3.72Å; E277-C279 PolarHBondContact O-N 3.27Å; E277-C279 VanDerWaalsContact O-N 3.15Å; C279-D284 VanDerWaalsContact CA-OD2 3.29Å; C279-D284 WeakPolarHBondContact CA-OD2 3.46Å; C279-D284 HydrophobicContact CB-CB 3.63Å; C279-N298 PolarHBondContact O-ND2 3.4Å
280F96.2Very high95.7Very high15 Ų1510.9 Ų10.97%0.0667%0.067CC..  trans-80.3-21.4-172.7-54.9-37000113.3F275 C278 D284 N298 W316 R480 L483 K484F275-F280 AromaticContact CD1-CE1 3.88Å; F275-F280 HydrophobicContact CD1-CE1 3.88Å; F275-F280 HydrophobicContact CD1-CZ 4.24Å; F275-F280 HydrophobicContact CD2-CD1 4.28Å; F275-F280 AromaticContact CD2-CE1 3.69Å; F275-F280 HydrophobicContact CD2-CE1 3.69Å; F275-F280 AromaticContact CE1-CE1 3.84Å; F275-F280 HydrophobicContact CE1-CE1 3.84Å; F275-F280 AromaticContact CE1-CZ 3.97Å; F275-F280 HydrophobicContact CE1-CZ 3.97Å; F275-F280 HydrophobicContact CE2-CD1 4.23Å; F275-F280 AromaticContact CE2-CE1 3.65Å; F275-F280 HydrophobicContact CE2-CE1 3.65Å; F275-F280 HydrophobicContact CE2-CZ 4.45Å; F275-F280 AromaticContact CG-CE1 3.81Å; F275-F280 HydrophobicContact CG-CE1 3.81Å; F275-F280 AromaticContact CZ-CE1 3.73Å; F275-F280 HydrophobicContact CZ-CE1 3.73Å; F275-F280 HydrophobicContact CZ-CZ 4.08Å; F275-F280 WeakPolarHBondContact O-CE1 3.4Å; C278-F280 HydrophobicContact CB-CD2 4.13Å; C278-F280 HydrophobicContact CB-CE1 4.45Å; C278-F280 HydrophobicContact CB-CE2 3.64Å; C278-F280 HydrophobicContact CB-CZ 3.83Å; C278-F280 PolarHBondContact O-N 2.97Å; F280-D284 PolarHBondContact N-OD2 2.81Å; F280-N298 PolarHBondContact O-ND2 2.92Å; F280-W316 HydrophobicContact CD1-CH2 4.37Å; F280-W316 HydrophobicContact CD1-CZ2 4Å; F280-R480 HydrophobicContact CD2-CB 3.79Å; F280-R480 HydrophobicContact CD2-CG 4.19Å; F280-R480 HydrophobicContact CE2-CB 3.66Å; F280-R480 HydrophobicContact CE2-CG 4.03Å; F280-R480 HydrophobicContact CZ-CB 4.43Å; F280-R480 HydrophobicContact CZ-CG 4.37Å; F280-L483 HydrophobicContact CZ-CD1 4.24Å; F280-K484 HydrophobicContact CD2-CG 4.3Å; F280-K484 HydrophobicContact CE2-CG 4.21Å
281D96.6Very high95.2Very high73 Ų7313.6 Ų13.639%0.399%0.085SC..SBendtrans-96.9146.9-170.9-53.4-51.9000110.7G283 D284 N298 K484D281-G283 PolarHBondContact O-N 3.26Å; D281-D284 PolarHBondContact N-OD2 3.01Å; D281-D284 VanDerWaalsContact O-CB 3.24Å; D281-D284 WeakPolarHBondContact O-CB 3.45Å; D281-D284 PolarHBondContact O-N 3.03Å; D281-N298 WeakPolarHBondContact O-CB 3.4Å; D281-K484 IonicContact OD1-NZ 2.73Å; D281-K484 PolarHBondContact OD1-NZ 2.96Å; D281-K484 IonicContact OD2-NZ 3.19Å; D281-K484 PolarHBondContact OD2-NZ 2.84Å
282V97.4Very high94.8Very high76 Ų7614 Ų1446%0.4619%0.089SC..THydrogen-bonded Turntrans-58130.3177.7177.60000109.9D284 I424V282-D284 VanDerWaalsContact C-N 3.34Å; V282-I424 HydrophobicContact CG1-CD1 4.17Å; V282-I424 HydrophobicContact CG1-CG2 3.67Å
283G96.6Very high94.6Very high0 Ų014 Ų140%09%0.089CC..THydrogen-bonded Turntrans88.6-3.7-176.700000114.8D281 V285 N298 I424 P425 I426 T427D281-G283 PolarHBondContact O-N 3.26Å; G283-V285 PolarHBondContact O-N 3.34Å; G283-N298 PolarHBondContact N-O 2.82Å; G283-I424 VanDerWaalsContact CA-CG2 3.5Å; G283-P425 WeakPolarHBondContact CA-O 3.49Å; G283-I426 WeakPolarHBondContact O-CA 3.42Å; G283-T427 PolarHBondContact O-N 3.07Å; G283-T427 VanDerWaalsContact O-N 3.09Å; G283-T427 PolarHBondContact O-OG1 2.97Å
284D97.8Very high94.5Very high3 Ų315.5 Ų15.52%0.01610%0.095CC..EExtended strand (participates in β ladder)trans-67.4131.3166.7-73.8-12.7000109.2C279 F280 D281 V282 I297 N298 T427 K428C279-D284 VanDerWaalsContact CA-OD2 3.29Å; C279-D284 WeakPolarHBondContact CA-OD2 3.46Å; C279-D284 HydrophobicContact CB-CB 3.63Å; F280-D284 PolarHBondContact N-OD2 2.81Å; D281-D284 PolarHBondContact N-OD2 3.01Å; D281-D284 VanDerWaalsContact O-CB 3.24Å; D281-D284 WeakPolarHBondContact O-CB 3.45Å; D281-D284 PolarHBondContact O-N 3.03Å; V282-D284 VanDerWaalsContact C-N 3.34Å; D284-I297 WeakPolarHBondContact O-CA 3.49Å; D284-N298 PolarHBondContact O-N 3.37Å; D284-T427 PolarHBondContact N-OG1 3.22Å; D284-T427 PolarHBondContact OD1-OG1 2.93Å; D284-K428 HydrophobicContact CB-CB 4.46Å; D284-K428 WeakPolarHBondContact OD1-CB 3.44Å; D284-K428 IonicContact OD1-NZ 2.97Å; D284-K428 PolarHBondContact OD1-NZ 3Å; D284-K428 IonicContact OD2-NZ 2.72Å; D284-K428 PolarHBondContact OD2-NZ 3.45Å
285V97.6Very high94.5Very high0 Ų015.5 Ų15.50%010%0.095CC..EExtended strand (participates in β ladder)trans-119138.9-177.91740000110.2G283 I287 M295 D296 I297 M418 I426 K428 I429 R430G283-V285 PolarHBondContact O-N 3.34Å; V285-I287 HydrophobicContact CG1-CG1 4.11Å; V285-M295 HydrophobicContact CG1-CG 4Å; V285-D296 CarbonylContact C-O 3.57Å; V285-D296 WeakPolarHBondContact CA-O 3.42Å; V285-D296 WeakPolarHBondContact CG1-O 3.36Å; V285-I297 HydrophobicContact CG2-CB 3.99Å; V285-I297 HydrophobicContact CG2-CD1 4.08Å; V285-I297 HydrophobicContact CG2-CG1 3.88Å; V285-M418 HydrophobicContact CG2-SD 3.98Å; V285-I426 HydrophobicContact CB-CG2 4.41Å; V285-I426 HydrophobicContact CG2-CB 4.47Å; V285-I426 HydrophobicContact CG2-CD1 4.04Å; V285-I426 HydrophobicContact CG2-CG1 3.88Å; V285-I426 HydrophobicContact CG2-CG2 3.86Å; V285-K428 PolarHBondContact N-O 3.17Å; V285-I429 HydrophobicContact CB-CG1 4.39Å; V285-I429 HydrophobicContact CG1-CG2 4.49Å; V285-I429 WeakPolarHBondContact O-CA 3.49Å; V285-R430 PolarHBondContact O-N 2.78Å
286K96.4Very high94.4Very high0 Ų015.5 Ų15.50%010%0.095CC..EExtended strand (participates in β ladder)trans-122.4142.4167.3-178-94.8-79.8164.20109.9Q270 M274 E277 T288 M295 D296 R430 D432Q270-K286 WeakPolarHBondContact O-CE 3.5Å; Q270-K286 PolarHBondContact O-NZ 2.99Å; Q270-K286 VanDerWaalsContact O-NZ 3.12Å; M274-K286 HydrophobicContact CG-CB 4.2Å; M274-K286 HydrophobicContact SD-CB 3.2Å; M274-K286 WeakPolarHBondContact SD-CB 3.36Å; M274-K286 HydrophobicContact SD-CG 4.3Å; E277-K286 HydrophobicContact CG-CG 4.24Å; K286-T288 WeakPolarHBondContact CD-OG1 3.48Å; K286-T288 WeakPolarHBondContact CE-OG1 3.49Å; K286-T288 PolarHBondContact NZ-OG1 2.86Å; K286-M295 WeakPolarHBondContact O-CA 3.36Å; K286-D296 PolarHBondContact N-O 3.48Å; K286-D296 IonicContact NZ-OD2 3.4Å; K286-D296 PolarHBondContact NZ-OD2 2.81Å; K286-D296 PolarHBondContact O-N 3.45Å; K286-R430 CarbonylContact C-O 3.58Å; K286-R430 WeakPolarHBondContact CA-O 3.31Å; K286-D432 WeakPolarHBondContact CD-OD2 3.21Å
287I96.1Very high94.5Very high0 Ų015.4 Ų15.40%09%0.094CC..EExtended strand (participates in β ladder)trans-125107.4176.7-44.8172.9000108.6V285 M289 T293 F294 M295 I429 R430 V431 D432 F449V285-I287 HydrophobicContact CG1-CG1 4.11Å; I287-M289 HydrophobicContact CG2-CG 3.97Å; I287-T293 HydrophobicContact CG2-CG2 3.54Å; I287-F294 CarbonylContact C-O 3.57Å; I287-F294 WeakPolarHBondContact CA-O 3.23Å; I287-M295 HydrophobicContact CD1-CE 3.76Å; I287-M295 HydrophobicContact CG1-CE 4.07Å; I287-M295 HydrophobicContact CG1-CG 4.12Å; I287-M295 HydrophobicContact CG2-CE 4.44Å; I287-I429 HydrophobicContact CD1-CG2 3.77Å; I287-I429 HydrophobicContact CG1-CG2 4.27Å; I287-R430 PolarHBondContact N-O 3.18Å; I287-V431 HydrophobicContact CB-CG1 4.14Å; I287-V431 HydrophobicContact CD1-CG1 4.31Å; I287-V431 HydrophobicContact CG1-CG1 4.48Å; I287-V431 VanDerWaalsContact O-CA 3.32Å; I287-V431 WeakPolarHBondContact O-CA 3.41Å; I287-D432 PolarHBondContact O-N 2.75Å; I287-F449 HydrophobicContact CD1-CE2 3.65Å; I287-F449 HydrophobicContact CD1-CZ 4.02Å
288T93Very high94.6Very high15 Ų1515.4 Ų15.49%0.0929%0.094CC..EExtended strand (participates in β ladder)trans-90.4114.5173-64.60000109.1Q270 K286 T293 F294 D432Q270-T288 VanDerWaalsContact OE1-CB 3.26Å; Q270-T288 PolarHBondContact OE1-OG1 2.93Å; K286-T288 WeakPolarHBondContact CD-OG1 3.48Å; K286-T288 WeakPolarHBondContact CE-OG1 3.49Å; K286-T288 PolarHBondContact NZ-OG1 2.86Å; T288-T293 VanDerWaalsContact O-CA 3.3Å; T288-T293 WeakPolarHBondContact O-CA 3.49Å; T288-F294 PolarHBondContact N-O 2.9Å; T288-F294 PolarHBondContact O-N 3.48Å; T288-D432 WeakPolarHBondContact CA-OD1 3.48Å; T288-D432 WeakPolarHBondContact CB-OD1 3.43Å; T288-D432 WeakPolarHBondContact CG2-OD1 3.49Å; T288-D432 PolarHBondContact OG1-OD1 3.43Å; T288-D432 PolarHBondContact OG1-OD2 3.28Å
289M92.2Very high94.7Very high0 Ų016.2 Ų16.20%010%0.099CC..EExtended strand (participates in β ladder)trans-10884.1177.6-62.8175-80.100110.5I287 T293 T333 V407 N411 V431 D432 G433 G434 V435 V441 L442I287-M289 HydrophobicContact CG2-CG 3.97Å; M289-T293 HydrophobicContact CG-CG2 4.2Å; M289-T333 HydrophobicContact CB-CG2 4.18Å; M289-V407 HydrophobicContact SD-CG1 4.43Å; M289-N411 PolarHBondContact SD-ND2 3.49Å; M289-N411 VanDerWaalsContact SD-ND2 3.45Å; M289-V431 HydrophobicContact CE-CB 4.06Å; M289-V431 HydrophobicContact CE-CG1 4.19Å; M289-D432 PolarHBondContact N-O 2.86Å; M289-G433 CarbonylContact O-C 3.52Å; M289-G433 VanDerWaalsContact O-C 3.3Å; M289-G434 PolarHBondContact O-N 2.95Å; M289-V435 HydrophobicContact CB-CB 3.82Å; M289-V435 HydrophobicContact CB-CG1 4.41Å; M289-V435 PolarHBondContact O-N 2.9Å; M289-V441 HydrophobicContact SD-CG1 4.3Å; M289-L442 HydrophobicContact CE-CD2 3.47Å; M289-L442 VanDerWaalsContact CE-CD2 3.47Å
290G87.9Confident94.7Very high26 Ų2616.8 Ų16.827%0.26810%0.104SC..SBendtrans-104.1-134.7173.100000111G292 G334G290-G292 CarbonylContact C-O 3.43Å; G290-G292 PolarHBondContact N-O 3.21Å; G290-G292 PolarHBondContact O-N 3.5Å; G290-G334 WeakPolarHBondContact O-CA 3.38Å; G290-G334 PolarHBondContact O-N 3.29Å
291T83.9Confident94.6Very high72 Ų7220.2 Ų20.244%0.44213%0.13SC..SBendtrans-53.9-42.7172.6-53.80000111.5T333 G334 T335T291-T333 PolarHBondContact O-N 3.26Å; T291-G334 PolarHBondContact O-N 2.99Å; T291-T335 VanDerWaalsContact CG2-OG1 3.32Å; T291-T335 WeakPolarHBondContact CG2-OG1 3.47Å; T291-T335 PolarHBondContact O-N 3.34Å; T291-T335 PolarHBondContact O-OG1 3.01Å
292G88.9Confident94.3Very high8 Ų824.3 Ų24.38%0.08215%0.145CC..SBendtrans-116.8179.4165.100000111.3G290 A330G290-G292 CarbonylContact C-O 3.43Å; G290-G292 PolarHBondContact N-O 3.21Å; G290-G292 PolarHBondContact O-N 3.5Å; G292-A330 CarbonylContact C-O 3.48Å; G292-A330 WeakPolarHBondContact CA-O 3.25Å
293T92.7Very high94Very high0 Ų021.6 Ų21.60%013%0.129CC..EExtended strand (participates in β ladder)trans-102.8128.9168.3-65.30000109.7I287 T288 M289 N329 A330 T333 N411 L414I287-T293 HydrophobicContact CG2-CG2 3.54Å; T288-T293 VanDerWaalsContact O-CA 3.3Å; T288-T293 WeakPolarHBondContact O-CA 3.49Å; M289-T293 HydrophobicContact CG-CG2 4.2Å; T293-N329 CarbonylContact O-C 3.59Å; T293-N329 VanDerWaalsContact O-CA 3.3Å; T293-N329 WeakPolarHBondContact O-CA 3.3Å; T293-A330 PolarHBondContact N-O 3.4Å; T293-A330 PolarHBondContact O-N 3.43Å; T293-T333 PolarHBondContact N-OG1 3.48Å; T293-T333 VanDerWaalsContact N-OG1 3.16Å; T293-T333 WeakPolarHBondContact OG1-CB 3.3Å; T293-T333 WeakPolarHBondContact OG1-CG2 3.45Å; T293-T333 PolarHBondContact OG1-OG1 3.04Å; T293-N411 WeakPolarHBondContact CG2-OD1 3.38Å; T293-L414 HydrophobicContact CG2-CD1 4.27Å
294F93.4Very high93.7Very high35 Ų3522.8 Ų22.815%0.15413%0.134CC..EExtended strand (participates in β ladder)trans-117.1120.3169.5-60-87.2000108.3Q270 I287 T288 E327 N329Q270-F294 HydrophobicContact CG-CB 4.5Å; I287-F294 CarbonylContact C-O 3.57Å; I287-F294 WeakPolarHBondContact CA-O 3.23Å; T288-F294 PolarHBondContact N-O 2.9Å; T288-F294 PolarHBondContact O-N 3.48Å; F294-E327 HydrophobicContact CD1-CG 4.44Å; F294-E327 WeakPolarHBondContact CD1-OE2 3.2Å; F294-N329 HydrophobicContact CD1-CB 3.9Å; F294-N329 HydrophobicContact CE1-CB 4.04Å
295M96Very high93.2Very high0 Ų023.8 Ų23.80%014%0.14CC..EExtended strand (participates in β ladder)trans-112.9106.4-179.9-177.3179.8-63.300108.9V285 K286 I287 E327 G328 N411 L414 M418 F449V285-M295 HydrophobicContact CG1-CG 4Å; K286-M295 WeakPolarHBondContact O-CA 3.36Å; I287-M295 HydrophobicContact CD1-CE 3.76Å; I287-M295 HydrophobicContact CG1-CE 4.07Å; I287-M295 HydrophobicContact CG1-CG 4.12Å; I287-M295 HydrophobicContact CG2-CE 4.44Å; M295-E327 WeakPolarHBondContact O-CA 3.33Å; M295-G328 PolarHBondContact N-O 3.02Å; M295-G328 PolarHBondContact O-N 2.73Å; M295-N411 HydrophobicContact CE-CB 4.48Å; M295-N411 WeakPolarHBondContact CE-O 3.43Å; M295-L414 HydrophobicContact CB-CD1 4.37Å; M295-L414 HydrophobicContact CE-CB 3.87Å; M295-L414 HydrophobicContact SD-CB 3.94Å; M295-M418 HydrophobicContact CB-CE 4.31Å; M295-M418 HydrophobicContact CG-CE 3.56Å; M295-M418 HydrophobicContact CG-SD 4.17Å; M295-M418 VanDerWaalsContact O-CE 3.28Å; M295-M418 WeakPolarHBondContact O-CE 3.41Å; M295-M418 HydrophobicContact SD-CE 4.01Å; M295-M418 HydrophobicContact SD-SD 4.08Å; M295-F449 HydrophobicContact CE-CZ 3.94Å
296D96.8Very high92.6Very high0 Ų024.8 Ų24.80%015%0.147CC..EExtended strand (participates in β ladder)trans-101.9137.4-178-62.7-69.4000110.4M274 V285 K286 L325 E327M274-D296 HydrophobicContact CE-CB 4.17Å; M274-D296 HydrophobicContact CG-CB 3.82Å; M274-D296 HydrophobicContact SD-CB 3.78Å; V285-D296 CarbonylContact C-O 3.57Å; V285-D296 WeakPolarHBondContact CA-O 3.42Å; V285-D296 WeakPolarHBondContact CG1-O 3.36Å; K286-D296 PolarHBondContact N-O 3.48Å; K286-D296 IonicContact NZ-OD2 3.4Å; K286-D296 PolarHBondContact NZ-OD2 2.81Å; K286-D296 PolarHBondContact O-N 3.45Å; D296-L325 HydrophobicContact CB-CD1 4.47Å; D296-E327 WeakPolarHBondContact OD1-CB 3.46Å; D296-E327 WeakPolarHBondContact OD1-CG 3.28Å
297I97.3Very high91.9Very high0 Ų027.8 Ų27.80%017%0.166CC..EExtended strand (participates in β ladder)trans-122.1135.8167.8-173.6168.9000110.7D284 V285 T299 L325 A326 M418 T422 I424 I426D284-I297 WeakPolarHBondContact O-CA 3.49Å; V285-I297 HydrophobicContact CG2-CB 3.99Å; V285-I297 HydrophobicContact CG2-CD1 4.08Å; V285-I297 HydrophobicContact CG2-CG1 3.88Å; I297-T299 HydrophobicContact CG2-CG2 4.11Å; I297-T299 PolarHBondContact O-N 3.25Å; I297-L325 CarbonylContact O-C 3.52Å; I297-L325 VanDerWaalsContact O-CA 3.23Å; I297-L325 WeakPolarHBondContact O-CA 3.45Å; I297-A326 HydrophobicContact CG2-CB 3.87Å; I297-A326 WeakPolarHBondContact CG2-O 3.32Å; I297-A326 PolarHBondContact N-O 2.95Å; I297-A326 PolarHBondContact O-N 2.81Å; I297-M418 HydrophobicContact CB-CE 3.75Å; I297-M418 HydrophobicContact CB-CG 4.25Å; I297-M418 HydrophobicContact CB-SD 3.53Å; I297-M418 VanDerWaalsContact CB-SD 3.53Å; I297-M418 HydrophobicContact CD1-CG 4.04Å; I297-M418 HydrophobicContact CD1-SD 3.96Å; I297-M418 HydrophobicContact CG1-SD 4.28Å; I297-M418 HydrophobicContact CG2-CE 3.61Å; I297-M418 HydrophobicContact CG2-CG 3.87Å; I297-M418 HydrophobicContact CG2-SD 3.73Å; I297-T422 HydrophobicContact CG2-CG2 4.09Å; I297-I424 HydrophobicContact CD1-CB 4.11Å; I297-I424 HydrophobicContact CD1-CG2 4.12Å; I297-I426 HydrophobicContact CD1-CG1 4.22Å
298N98Very high91.1Very high1 Ų129.8 Ų29.81%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-72.6120.2171.1-176.7-31.1000110.4M274 C279 F280 D281 G283 D284 G300 V323 L325M274-N298 HydrophobicContact CE-CB 4.08Å; C279-N298 PolarHBondContact O-ND2 3.4Å; F280-N298 PolarHBondContact O-ND2 2.92Å; D281-N298 WeakPolarHBondContact O-CB 3.4Å; G283-N298 PolarHBondContact N-O 2.82Å; D284-N298 PolarHBondContact O-N 3.37Å; N298-G300 WeakPolarHBondContact OD1-CA 3.1Å; N298-G300 PolarHBondContact OD1-N 3.4Å; N298-V323 WeakPolarHBondContact ND2-CG1 3.5Å; N298-V323 WeakPolarHBondContact OD1-CG1 3.49Å; N298-L325 HydrophobicContact CB-CD2 4.14Å
299T96.8Very high90.4Very high17 Ų1730.4 Ų30.410%0.10419%0.191CC..EExtended strand (participates in β ladder)trans-105.17.5-178.571.50000113.2I297 K302 H304 Y324 A326 I424I297-T299 HydrophobicContact CG2-CG2 4.11Å; I297-T299 PolarHBondContact O-N 3.25Å; T299-K302 PolarHBondContact OG1-O 2.93Å; T299-K302 VanDerWaalsContact OG1-O 3.1Å; T299-H304 HydrophobicContact CG2-CB 4Å; T299-Y324 PolarHBondContact N-O 3.33Å; T299-Y324 WeakPolarHBondContact OG1-CB 3.37Å; T299-Y324 PolarHBondContact OG1-O 2.77Å; T299-A326 HydrophobicContact CG2-CB 3.9Å; T299-I424 HydrophobicContact CG2-CD1 3.98Å
300G96.2Very high90.2Very high11 Ų1130.7 Ų30.711%0.11319%0.193CC..EExtended strand (participates in β ladder)trans74.5-145.9178.900000112.8N298 K302 Y324N298-G300 WeakPolarHBondContact OD1-CA 3.1Å; N298-G300 PolarHBondContact OD1-N 3.4Å; G300-K302 VanDerWaalsContact C-N 3.27Å; G300-K302 PolarHBondContact O-N 3.33Å; G300-Y324 PolarHBondContact O-N 3.35Å
301S95.4Very high90.3Very high87 Ų8732.8 Ų32.861%0.60819%0.193SC*.THydrogen-bonded Turntrans-83.66.9-17259.40000115.3V322 Y324S301-V322 WeakPolarHBondContact CA-O 3.43Å; S301-Y324 WeakPolarHBondContact O-CE2 3.48Å
302K90.4Very high90.7Very high159 Ų15930.7 Ų30.769%0.69118%0.181SC*.SBendtrans-124.8133178.5-66.1-178.3-178.5177.60110.5T299 G300 H304 Y324T299-K302 PolarHBondContact OG1-O 2.93Å; T299-K302 VanDerWaalsContact OG1-O 3.1Å; G300-K302 VanDerWaalsContact C-N 3.27Å; G300-K302 PolarHBondContact O-N 3.33Å; K302-H304 PolarHBondContact O-N 3.04Å; K302-Y324 VanDerWaalsContact C-CD2 3.49Å
303P90Very high90.9Very high19 Ų1930.3 Ų30.312%0.12318%0.177CC..  trans-63.3136.7173.425-31.6000110Y220 Y324Y220-P303 HydrophobicContact CD1-CB 4.16Å; Y220-P303 HydrophobicContact CD1-CG 3.29Å; Y220-P303 HydrophobicContact CE1-CB 3.9Å; Y220-P303 HydrophobicContact CE1-CG 3.36Å; Y220-P303 HydrophobicContact CG-CG 4.12Å; P303-Y324 HydrophobicContact CB-CD1 3.62Å; P303-Y324 HydrophobicContact CB-CE1 3.71Å; P303-Y324 HydrophobicContact CB-CG 4.07Å; P303-Y324 HydrophobicContact CG-CD1 4.38Å; P303-Y324 HydrophobicContact CG-CE1 4.08Å
304H89.8Confident91.2Very high26 Ų2630.3 Ų30.312%0.1218%0.177CC..  trans-77.8123.9174.9177.164.7000110.9T299 K302 S306 P312 A326 E421T299-H304 HydrophobicContact CG2-CB 4Å; K302-H304 PolarHBondContact O-N 3.04Å; H304-S306 PolarHBondContact O-N 3Å; H304-P312 WeakPolarHBondContact O-CB 3.49Å; H304-A326 HydrophobicContact CB-CB 4.07Å; H304-E421 PolarHBondContact CE1-O 3.38Å; H304-E421 WeakPolarHBondContact NE2-CG 3.34Å; H304-E421 IonicContact NE2-OE1 2.64Å
305T88.6Confident91.4Very high23 Ų2328.7 Ų28.714%0.14117%0.17CC..  trans-83.598.1175.2-54.70000110.5K147 R148 A151 Y220K147-T305 HydrophobicContact CB-CG2 3.93Å; K147-T305 VanDerWaalsContact O-CG2 3.28Å; K147-T305 WeakPolarHBondContact O-CG2 3.3Å; R148-T305 HydrophobicContact CG-CG2 4.23Å; A151-T305 HydrophobicContact CB-CG2 3.54Å; Y220-T305 PolarHBondContact OH-OG1 2.91Å
306S84.5Confident91.4Very high21 Ų2128.7 Ų28.715%0.14717%0.17CC..  trans-78.6140.4-179.61700000113.3A151 H304 G309 L310 E421A151-S306 WeakPolarHBondContact CB-O 3.32Å; H304-S306 PolarHBondContact O-N 3Å; S306-G309 PolarHBondContact OG-N 3.49Å; S306-L310 WeakPolarHBondContact CB-O 3.34Å; S306-L310 PolarHBondContact OG-N 3.11Å; S306-L310 VanDerWaalsContact OG-N 3.07Å; S306-L310 PolarHBondContact OG-O 3.13Å; S306-E421 WeakPolarHBondContact CA-OE1 3.37Å; S306-E421 WeakPolarHBondContact CB-OE1 3.46Å; S306-E421 PolarHBondContact OG-OE1 3.26Å
307V82.7Confident91.4Very high64 Ų6430.8 Ų30.839%0.38818%0.179SC..SBendtrans-137.4-9.3176.7-63.10000113.1L150 A151 L154 E421L150-V307 HydrophobicContact CB-CG1 4.43Å; L150-V307 HydrophobicContact CD2-CG1 3.97Å; L150-V307 HydrophobicContact CG-CG1 3.93Å; A151-V307 HydrophobicContact CB-CG1 4.26Å; L154-V307 HydrophobicContact CD1-CB 4.06Å; L154-V307 HydrophobicContact CD1-CG1 4.38Å; V307-E421 PolarHBondContact N-OE1 2.92Å
308A77.8Confident91.2Very high42 Ų4232.8 Ų32.835%0.34719%0.189SC..SBendtrans-113.5-7.4-179.500000113.6T417 E421A308-T417 HydrophobicContact CB-CG2 4.29Å; A308-E421 HydrophobicContact CB-CG 4.14Å; A308-E421 WeakPolarHBondContact CB-OE2 2.93Å; A308-E421 PolarHBondContact N-OE1 2.73Å
309G78.8Confident90.8Very high27 Ų2735.1 Ų35.128%0.27821%0.213SC..SBendtrans129.23.3167.400000115.7S306S306-G309 PolarHBondContact OG-N 3.49Å
310L88.5Confident90.5Very high7 Ų740 Ų404%0.03725%0.248CC..  trans-67.8153.2166.8-62.7174.5000110.9S306 A326 E327 M418 E421 T422S306-L310 WeakPolarHBondContact CB-O 3.34Å; S306-L310 PolarHBondContact OG-N 3.11Å; S306-L310 VanDerWaalsContact OG-N 3.07Å; S306-L310 PolarHBondContact OG-O 3.13Å; L310-A326 HydrophobicContact CB-CB 4.26Å; L310-A326 HydrophobicContact CD1-CB 4Å; L310-E327 CarbonylContact C-O 3.58Å; L310-E327 VanDerWaalsContact CA-O 3.25Å; L310-E327 WeakPolarHBondContact CA-O 3.43Å; L310-M418 HydrophobicContact CD2-CE 4.47Å; L310-E421 HydrophobicContact CD1-CB 4.21Å; L310-E421 HydrophobicContact CD1-CG 4.47Å; L310-E421 WeakPolarHBondContact CD1-OE2 3.36Å; L310-E421 WeakPolarHBondContact CG-OE2 3.04Å; L310-T422 HydrophobicContact CD1-CG2 3.7Å
311Y89.4Confident90.3Very high69 Ų6942.2 Ų42.227%0.27126%0.257SS..EExtended strand (participates in β ladder)trans-107.6124.5174.9-166.6-105.9000110.4H161 L313 A326 E327H161-Y311 AromaticContact CE1-CE2 3.69Å; H161-Y311 AromaticContact NE2-CE2 3.34Å; H161-Y311 VanDerWaalsContact NE2-CE2 3.34Å; H161-Y311 WeakPolarHBondContact NE2-CE2 3.45Å; H161-Y311 AromaticContact NE2-CZ 3.46Å; Y311-L313 HydrophobicContact CD1-CD1 4.4Å; Y311-L313 HydrophobicContact CD1-CD2 3.58Å; Y311-L313 HydrophobicContact CD1-CG 3.72Å; Y311-L313 HydrophobicContact CE1-CD2 3.56Å; Y311-L313 HydrophobicContact CE1-CG 4.2Å; Y311-A326 WeakPolarHBondContact O-CA 3.29Å; Y311-E327 PolarHBondContact N-O 2.99Å; Y311-E327 PolarHBondContact O-N 3.27Å
312P91.8Very high90.4Very high28 Ų2839.4 Ų39.418%0.18224%0.236CC..EExtended strand (participates in β ladder)trans-75.4125.317628.1-30.5000111.1H304H304-P312 WeakPolarHBondContact O-CB 3.49Å
313L95.1Very high90.7Very high1 Ų132.1 Ų32.11%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-124153.7178.6-69.6165.5000110.1Y311 Y324 L325 E327Y311-L313 HydrophobicContact CD1-CD1 4.4Å; Y311-L313 HydrophobicContact CD1-CD2 3.58Å; Y311-L313 HydrophobicContact CD1-CG 3.72Å; Y311-L313 HydrophobicContact CE1-CD2 3.56Å; Y311-L313 HydrophobicContact CE1-CG 4.2Å; L313-Y324 WeakPolarHBondContact O-CA 3.32Å; L313-Y324 WeakPolarHBondContact O-CD1 3.43Å; L313-L325 HydrophobicContact CB-CB 4.38Å; L313-L325 PolarHBondContact N-O 3.38Å; L313-L325 PolarHBondContact O-N 2.85Å; L313-E327 HydrophobicContact CD1-CB 3.8Å
314V97.6Very high91.1Very high0 Ų031.9 Ų31.90%020%0.202CC..EExtended strand (participates in β ladder)trans-80.2124.3159.7-174.20000106.6S209 S212 F217 M222 Q271 V322 Y324S209-V314 WeakPolarHBondContact CA-O 3.35Å; S212-V314 PolarHBondContact OG-N 2.89Å; S212-V314 VanDerWaalsContact OG-N 3.09Å; F217-V314 HydrophobicContact CE1-CG2 4.44Å; M222-V314 HydrophobicContact CE-CG1 4.26Å; M222-V314 HydrophobicContact CE-CG2 4.24Å; M222-V314 HydrophobicContact SD-CG2 3.82Å; Q271-V314 WeakPolarHBondContact CG-O 3.41Å; Q271-V314 PolarHBondContact NE2-O 3.21Å; V314-V322 HydrophobicContact CG1-CG1 4.44Å; V314-Y324 HydrophobicContact CG2-CD1 4.17Å; V314-Y324 HydrophobicContact CG2-CE1 3.82Å
315G97.3Very high91.4Very high0 Ų030.7 Ų30.70%020%0.196CC..EExtended strand (participates in β ladder)trans-70.9-62.4172.800000110S209 Q271 V323S209-G315 WeakPolarHBondContact CB-O 3.43Å; Q271-G315 VanDerWaalsContact CB-O 3.32Å; Q271-G315 WeakPolarHBondContact CB-O 3.22Å; Q271-G315 WeakPolarHBondContact CG-O 3.33Å; G315-V323 WeakPolarHBondContact CA-O 3.31Å; G315-V323 PolarHBondContact N-O 3.33Å
316W97.4Very high91.8Very high0 Ų029.6 Ų29.60%019%0.189CC..EExtended strand (participates in β ladder)trans-162.8162.117549.783.6000110.4T245 M267 M274 F275 F280 V323T245-W316 HydrophobicContact CG2-CB 4.03Å; T245-W316 WeakPolarHBondContact OG1-CA 3.32Å; M267-W316 HydrophobicContact CE-CB 4.34Å; M274-W316 HydrophobicContact CB-CH2 4.47Å; M274-W316 HydrophobicContact CB-CZ3 3.88Å; F275-W316 HydrophobicContact CB-CE3 4.36Å; F275-W316 HydrophobicContact CB-CZ3 4.27Å; F275-W316 AromaticContact CD2-CD2 3.66Å; F275-W316 HydrophobicContact CD2-CD2 3.66Å; F275-W316 AromaticContact CD2-CE2 3.74Å; F275-W316 AromaticContact CD2-CE3 3.87Å; F275-W316 HydrophobicContact CD2-CE3 3.87Å; F275-W316 HydrophobicContact CD2-CG 4.15Å; F275-W316 HydrophobicContact CD2-CH2 4.25Å; F275-W316 HydrophobicContact CD2-CZ2 4.05Å; F275-W316 HydrophobicContact CD2-CZ3 4.16Å; F275-W316 HydrophobicContact CE2-CD2 4.22Å; F275-W316 HydrophobicContact CE2-CG 4.39Å; F275-W316 HydrophobicContact CE2-CZ2 4.47Å; F280-W316 HydrophobicContact CD1-CH2 4.37Å; F280-W316 HydrophobicContact CD1-CZ2 4Å; W316-V323 HydrophobicContact CD2-CB 4.19Å; W316-V323 HydrophobicContact CG-CB 4.42Å; W316-V323 HydrophobicContact CH2-CG1 4.19Å; W316-V323 HydrophobicContact CZ2-CB 4Å; W316-V323 HydrophobicContact CZ2-CG1 3.77Å; W316-V323 HydrophobicContact CZ2-CG2 4.04Å; W316-V323 PolarHBondContact N-O 3.42Å; W316-V323 VanDerWaalsContact NE1-CG2 3.33Å; W316-V323 PolarHBondContact O-N 2.94Å
317K96.1Very high92.2Very high45 Ų4529.3 Ų29.320%0.19619%0.186CC..EExtended strand (participates in β ladder)trans-128.2116.5165.5-177.6172.2177.7-172.30110.3Y208 M222 N244 T245 D321 V322Y208-K317 HydrophobicContact CD2-CB 3.69Å; Y208-K317 HydrophobicContact CD2-CD 3.93Å; Y208-K317 HydrophobicContact CD2-CG 4.4Å; Y208-K317 HydrophobicContact CE2-CB 4.07Å; Y208-K317 HydrophobicContact CE2-CD 3.47Å; Y208-K317 VanDerWaalsContact CE2-CD 3.47Å; Y208-K317 HydrophobicContact CE2-CG 4.29Å; Y208-K317 HydrophobicContact CG-CB 4.45Å; Y208-K317 PolarHBondContact OH-NZ 3.39Å; M222-K317 HydrophobicContact CE-CD 4.23Å; N244-K317 CarbonylContact C-O 3.52Å; N244-K317 WeakPolarHBondContact CB-O 3.45Å; N244-K317 WeakPolarHBondContact OD1-CD 3.46Å; N244-K317 WeakPolarHBondContact OD1-CE 3.24Å; N244-K317 WeakPolarHBondContact OD1-CG 3.12Å; T245-K317 WeakPolarHBondContact CB-O 3.41Å; T245-K317 PolarHBondContact N-O 3.17Å; T245-K317 PolarHBondContact OG1-N 3Å; K317-D321 CarbonylContact C-O 3.6Å; K317-D321 VanDerWaalsContact CA-O 3.31Å; K317-D321 WeakPolarHBondContact CA-O 3.36Å; K317-V322 HydrophobicContact CB-CG2 4.38Å; K317-V322 HydrophobicContact CD-CG2 3.71Å; K317-V322 HydrophobicContact CG-CG2 3.8Å
318I93.1Very high92.7Very high42 Ų4226.3 Ų26.322%0.21517%0.168CC..EExtended strand (participates in β ladder)trans-123.7110.7-179.8-58.6175.8000107.9F275 S320 D321 V469F275-I318 HydrophobicContact CE2-CD1 3.53Å; F275-I318 HydrophobicContact CZ-CD1 3.82Å; I318-S320 PolarHBondContact O-N 3.17Å; I318-D321 PolarHBondContact N-O 2.92Å; I318-D321 PolarHBondContact O-N 3.4Å; I318-D321 VanDerWaalsContact O-N 3.09Å; I318-V469 HydrophobicContact CD1-CG1 4.36Å; I318-V469 HydrophobicContact CD1-CG2 4.13Å
319G89.1Confident93.3Very high49 Ų4925.7 Ų25.751%0.50516%0.159SC..THydrogen-bonded Turntrans61.6-122.7-170.100000111.2N244N244-G319 PolarHBondContact ND2-O 3.07Å
320S90.2Very high93.8Very high120 Ų12024.6 Ų24.684%0.83915%0.147SC*.THydrogen-bonded Turntrans-87.9-13.2175.353.60000113.8I318 V322I318-S320 PolarHBondContact O-N 3.17Å; S320-V322 PolarHBondContact O-N 2.84Å
321D93.6Very high93.6Very high58 Ų5825.4 Ų25.431%0.3116%0.155SC..EExtended strand (participates in β ladder)trans-83.1117.6-175.7-174.729000110.6K317 I318 R480K317-D321 CarbonylContact C-O 3.6Å; K317-D321 VanDerWaalsContact CA-O 3.31Å; K317-D321 WeakPolarHBondContact CA-O 3.36Å; I318-D321 PolarHBondContact N-O 2.92Å; I318-D321 PolarHBondContact O-N 3.4Å; I318-D321 VanDerWaalsContact O-N 3.09Å; D321-R480 IonicContact OD2-CZ 3.41Å; D321-R480 IonicContact OD2-NH1 2.87Å; D321-R480 PolarHBondContact OD2-NH1 3.44Å; D321-R480 IonicContact OD2-NH2 3.47Å; D321-R480 PolarHBondContact OD2-NH2 3.44Å
322V96.3Very high93.5Very high27 Ų2722.3 Ų22.316%0.16414%0.143CC..EExtended strand (participates in β ladder)trans-110.8126.4176.6-173.80000107.9M222 S301 V314 K317 S320 Y324M222-V322 HydrophobicContact CE-CG1 3.91Å; S301-V322 WeakPolarHBondContact CA-O 3.43Å; V314-V322 HydrophobicContact CG1-CG1 4.44Å; K317-V322 HydrophobicContact CB-CG2 4.38Å; K317-V322 HydrophobicContact CD-CG2 3.71Å; K317-V322 HydrophobicContact CG-CG2 3.8Å; S320-V322 PolarHBondContact O-N 2.84Å; V322-Y324 HydrophobicContact CB-CE2 4.42Å; V322-Y324 HydrophobicContact CG1-CD2 4.09Å; V322-Y324 HydrophobicContact CG1-CE2 3.52Å
323V97.7Very high93.6Very high6 Ų621.2 Ų21.24%0.03614%0.135CC..EExtended strand (participates in β ladder)trans-116.3130.9173.9176.10000108.9N298 G315 W316 L325N298-V323 WeakPolarHBondContact ND2-CG1 3.5Å; N298-V323 WeakPolarHBondContact OD1-CG1 3.49Å; G315-V323 WeakPolarHBondContact CA-O 3.31Å; G315-V323 PolarHBondContact N-O 3.33Å; W316-V323 HydrophobicContact CD2-CB 4.19Å; W316-V323 HydrophobicContact CG-CB 4.42Å; W316-V323 HydrophobicContact CH2-CG1 4.19Å; W316-V323 HydrophobicContact CZ2-CB 4Å; W316-V323 HydrophobicContact CZ2-CG1 3.77Å; W316-V323 HydrophobicContact CZ2-CG2 4.04Å; W316-V323 PolarHBondContact N-O 3.42Å; W316-V323 VanDerWaalsContact NE1-CG2 3.33Å; W316-V323 PolarHBondContact O-N 2.94Å; V323-L325 HydrophobicContact CG1-CD2 4.44Å
324Y97.9Very high93.4Very high15 Ų1522 Ų226%0.05914%0.144CC..EExtended strand (participates in β ladder)trans-103.6151.8173.6-68.7-89.1000110.8S219 M222 T299 G300 S301 K302 P303 L313 V314 V322S219-Y324 VanDerWaalsContact O-CE1 3.25Å; S219-Y324 WeakPolarHBondContact O-CE1 3.26Å; S219-Y324 PolarHBondContact O-OH 3.16Å; M222-Y324 HydrophobicContact SD-CE1 4.32Å; M222-Y324 PolarHBondContact SD-OH 3.38Å; M222-Y324 VanDerWaalsContact SD-OH 3.34Å; T299-Y324 PolarHBondContact N-O 3.33Å; T299-Y324 WeakPolarHBondContact OG1-CB 3.37Å; T299-Y324 PolarHBondContact OG1-O 2.77Å; G300-Y324 PolarHBondContact O-N 3.35Å; S301-Y324 WeakPolarHBondContact O-CE2 3.48Å; K302-Y324 VanDerWaalsContact C-CD2 3.49Å; P303-Y324 HydrophobicContact CB-CD1 3.62Å; P303-Y324 HydrophobicContact CB-CE1 3.71Å; P303-Y324 HydrophobicContact CB-CG 4.07Å; P303-Y324 HydrophobicContact CG-CD1 4.38Å; P303-Y324 HydrophobicContact CG-CE1 4.08Å; L313-Y324 WeakPolarHBondContact O-CA 3.32Å; L313-Y324 WeakPolarHBondContact O-CD1 3.43Å; V314-Y324 HydrophobicContact CG2-CD1 4.17Å; V314-Y324 HydrophobicContact CG2-CE1 3.82Å; V322-Y324 HydrophobicContact CB-CE2 4.42Å; V322-Y324 HydrophobicContact CG1-CD2 4.09Å; V322-Y324 HydrophobicContact CG1-CE2 3.52Å
325L97.1Very high92.9Very high0 Ų024.2 Ų24.20%016%0.158CC..EExtended strand (participates in β ladder)trans-120.4156172.5-53.4-179000110Q271 M274 D296 I297 N298 L313 V323Q271-L325 HydrophobicContact CG-CD1 3.88Å; M274-L325 HydrophobicContact CB-CD1 4.37Å; M274-L325 HydrophobicContact CE-CD2 3.6Å; M274-L325 HydrophobicContact CG-CD1 3.88Å; D296-L325 HydrophobicContact CB-CD1 4.47Å; I297-L325 CarbonylContact O-C 3.52Å; I297-L325 VanDerWaalsContact O-CA 3.23Å; I297-L325 WeakPolarHBondContact O-CA 3.45Å; N298-L325 HydrophobicContact CB-CD2 4.14Å; L313-L325 HydrophobicContact CB-CB 4.38Å; L313-L325 PolarHBondContact N-O 3.38Å; L313-L325 PolarHBondContact O-N 2.85Å; V323-L325 HydrophobicContact CG1-CD2 4.44Å
326A95.3Very high92.8Very high0 Ų024.2 Ų24.20%016%0.158CC..EExtended strand (participates in β ladder)trans-117.5128.9160.300000108.5I297 T299 H304 L310 Y311 T422I297-A326 HydrophobicContact CG2-CB 3.87Å; I297-A326 WeakPolarHBondContact CG2-O 3.32Å; I297-A326 PolarHBondContact N-O 2.95Å; I297-A326 PolarHBondContact O-N 2.81Å; T299-A326 HydrophobicContact CG2-CB 3.9Å; H304-A326 HydrophobicContact CB-CB 4.07Å; L310-A326 HydrophobicContact CB-CB 4.26Å; L310-A326 HydrophobicContact CD1-CB 4Å; Y311-A326 WeakPolarHBondContact O-CA 3.29Å; A326-T422 HydrophobicContact CB-CG2 4.48Å
327E94.6Very high92.8Very high15 Ų1524.9 Ų24.97%0.0716%0.161CC..EExtended strand (participates in β ladder)trans-112.2129.9-176.8-175-179.261.100110.5R92 F294 M295 D296 L310 Y311 L313R92-E327 IonicContact CZ-OE1 2.75Å; R92-E327 IonicContact CZ-OE2 2.86Å; R92-E327 VanDerWaalsContact CZ-OE2 3.25Å; R92-E327 IonicContact NH1-OE1 3.71Å; R92-E327 PolarHBondContact NH1-OE1 3.12Å; R92-E327 IonicContact NH1-OE2 3.25Å; R92-E327 PolarHBondContact NH1-OE2 2.82Å; R92-E327 IonicContact NH2-OE1 3.86Å; R92-E327 PolarHBondContact NH2-OE1 2.94Å; R92-E327 IonicContact NH2-OE2 3.02Å; R92-E327 PolarHBondContact NH2-OE2 3.37Å; F294-E327 HydrophobicContact CD1-CG 4.44Å; F294-E327 WeakPolarHBondContact CD1-OE2 3.2Å; M295-E327 WeakPolarHBondContact O-CA 3.33Å; D296-E327 WeakPolarHBondContact OD1-CB 3.46Å; D296-E327 WeakPolarHBondContact OD1-CG 3.28Å; L310-E327 CarbonylContact C-O 3.58Å; L310-E327 VanDerWaalsContact CA-O 3.25Å; L310-E327 WeakPolarHBondContact CA-O 3.43Å; Y311-E327 PolarHBondContact N-O 2.99Å; Y311-E327 PolarHBondContact O-N 3.27Å; L313-E327 HydrophobicContact CD1-CB 3.8Å
328G92.8Very high92.7Very high1 Ų128.9 Ų28.91%0.0118%0.178CC..EExtended strand (participates in β ladder)trans-105.5137.3163.200000109.4M295M295-G328 PolarHBondContact N-O 3.02Å; M295-G328 PolarHBondContact O-N 2.73Å
329N90.5Very high92.8Very high30 Ų3030.3 Ų30.316%0.1618%0.181CC..EExtended strand (participates in β ladder)trans-118.9147.8176.969-15.8000112.5T293 F294 Q375T293-N329 CarbonylContact O-C 3.59Å; T293-N329 VanDerWaalsContact O-CA 3.3Å; T293-N329 WeakPolarHBondContact O-CA 3.3Å; F294-N329 HydrophobicContact CD1-CB 3.9Å; F294-N329 HydrophobicContact CE1-CB 4.04Å; N329-Q375 WeakPolarHBondContact O-CB 3.12Å
330A89.6Confident93.1Very high3 Ų328 Ų283%0.02516%0.157CC..EExtended strand (participates in β ladder)trans-128.8125.9163.400000107.8G292 T293 R410 L414G292-A330 CarbonylContact C-O 3.48Å; G292-A330 WeakPolarHBondContact CA-O 3.25Å; T293-A330 PolarHBondContact N-O 3.4Å; T293-A330 PolarHBondContact O-N 3.43Å; A330-R410 HydrophobicContact CB-CB 4.45Å; A330-L414 HydrophobicContact CB-CD1 3.89Å
331A84.4Confident93.4Very high24 Ų2426 Ų2620%0.19814%0.135CC..SBendtrans-68.4173.2171.700000110.6T333 Q375A331-T333 VanDerWaalsContact C-N 3.35Å; A331-T333 PolarHBondContact O-N 2.92Å; A331-Q375 VanDerWaalsContact CB-OE1 3.25Å
332D87Confident93.5Very high5 Ų529.4 Ų29.43%0.02715%0.149CC..  trans60.132.7163.9-50.6-31.7000116.8A336 P369 F371 S372D332-A336 WeakPolarHBondContact O-CB 3.41Å; D332-A336 PolarHBondContact O-N 2.8Å; D332-P369 HydrophobicContact CB-CB 4.14Å; D332-F371 HydrophobicContact CB-CD2 4.04Å; D332-F371 WeakPolarHBondContact OD2-CA 3.06Å; D332-F371 WeakPolarHBondContact OD2-CB 3.16Å; D332-F371 PolarHBondContact OD2-N 3.12Å; D332-S372 PolarHBondContact OD1-OG 2.72Å; D332-S372 PolarHBondContact OD2-N 3.36Å
333T92.4Very high93.5Very high4 Ų432.4 Ų32.43%0.02516%0.163CC..Hα-helixtrans-77.4-69.9174.9-60.40000111.2M289 T291 T293 A331 T335 A336 V407 V435M289-T333 HydrophobicContact CB-CG2 4.18Å; T291-T333 PolarHBondContact O-N 3.26Å; T293-T333 PolarHBondContact N-OG1 3.48Å; T293-T333 VanDerWaalsContact N-OG1 3.16Å; T293-T333 WeakPolarHBondContact OG1-CB 3.3Å; T293-T333 WeakPolarHBondContact OG1-CG2 3.45Å; T293-T333 PolarHBondContact OG1-OG1 3.04Å; A331-T333 VanDerWaalsContact C-N 3.35Å; A331-T333 PolarHBondContact O-N 2.92Å; T333-T335 VanDerWaalsContact C-N 3.3Å; T333-A336 PolarHBondContact O-N 3.27Å; T333-V407 HydrophobicContact CG2-CG1 3.75Å; T333-V407 HydrophobicContact CG2-CG2 4.29Å; T333-V435 HydrophobicContact CG2-CB 4.33Å; T333-V435 HydrophobicContact CG2-CG1 4.21Å; T333-V435 HydrophobicContact CG2-CG2 4.1Å
334G90.8Very high93.5Very high17 Ų1739.2 Ų39.218%0.17520%0.195CC..Hα-helixtrans-68.9-29.8173.500000112.3G290 T291 A336 I337 K338G290-G334 WeakPolarHBondContact O-CA 3.38Å; G290-G334 PolarHBondContact O-N 3.29Å; T291-G334 PolarHBondContact O-N 2.99Å; G334-A336 VanDerWaalsContact C-N 3.32Å; G334-A336 PolarHBondContact O-N 3.43Å; G334-I337 PolarHBondContact O-N 3.16Å; G334-K338 PolarHBondContact O-N 3.24Å
335T89Confident93.5Very high48 Ų4839.6 Ų39.629%0.29420%0.198SC..Hα-helixtrans-58.7-43.7174.9-480000111.4T291 T333 I337 K338 W339T291-T335 VanDerWaalsContact CG2-OG1 3.32Å; T291-T335 WeakPolarHBondContact CG2-OG1 3.47Å; T291-T335 PolarHBondContact O-N 3.34Å; T291-T335 PolarHBondContact O-OG1 3.01Å; T333-T335 VanDerWaalsContact C-N 3.3Å; T335-I337 VanDerWaalsContact C-N 3.34Å; T335-I337 PolarHBondContact O-N 2.86Å; T335-K338 PolarHBondContact O-N 3.11Å; T335-W339 VanDerWaalsContact O-CB 3.32Å; T335-W339 WeakPolarHBondContact O-CB 3.27Å; T335-W339 PolarHBondContact O-N 2.79Å
336A95.1Very high93.5Very high0 Ų040.1 Ų40.10%020%0.2CC..Hα-helixtrans-63.1-39.8178.400000112.8D332 T333 G334 A340 F367 P369 F371 I403D332-A336 WeakPolarHBondContact O-CB 3.41Å; D332-A336 PolarHBondContact O-N 2.8Å; T333-A336 PolarHBondContact O-N 3.27Å; G334-A336 VanDerWaalsContact C-N 3.32Å; G334-A336 PolarHBondContact O-N 3.43Å; A336-A340 WeakPolarHBondContact O-CB 3.42Å; A336-A340 PolarHBondContact O-N 2.87Å; A336-F367 HydrophobicContact CB-CE1 3.75Å; A336-F367 HydrophobicContact CB-CZ 4.21Å; A336-P369 HydrophobicContact CB-CB 4.13Å; A336-F371 HydrophobicContact CB-CE2 4.37Å; A336-I403 HydrophobicContact CB-CG2 4.34Å
337I95.9Very high93.4Very high13 Ų1345 Ų457%0.06723%0.234CC..Hα-helixtrans-67.7-43.7177.5-61.7178.2000110.1G334 T335 A340 Q341 F346 V349 L404 V435G334-I337 PolarHBondContact O-N 3.16Å; T335-I337 VanDerWaalsContact C-N 3.34Å; T335-I337 PolarHBondContact O-N 2.86Å; I337-A340 WeakPolarHBondContact O-CB 3.43Å; I337-A340 PolarHBondContact O-N 3.02Å; I337-Q341 PolarHBondContact O-N 3.4Å; I337-F346 HydrophobicContact CG2-CZ 3.79Å; I337-F346 VanDerWaalsContact O-CZ 3.31Å; I337-F346 WeakPolarHBondContact O-CZ 3.29Å; I337-V349 HydrophobicContact CG2-CG2 3.62Å; I337-L404 HydrophobicContact CD1-CD2 4.09Å; I337-L404 HydrophobicContact CG1-CD2 4.41Å; I337-V435 HydrophobicContact CD1-CB 4.19Å; I337-V435 HydrophobicContact CD1-CG1 3.54Å; I337-V435 HydrophobicContact CD1-CG2 3.7Å
338K93.6Very high93.4Very high129 Ų12946.8 Ų46.856%0.56124%0.244SC*.Hα-helixtrans-62.5-45.3176.4-172.8-178.3177-161.10111.8G334 T335 A340 Q341 E342G334-K338 PolarHBondContact O-N 3.24Å; T335-K338 PolarHBondContact O-N 3.11Å; K338-A340 VanDerWaalsContact C-N 3.3Å; K338-A340 PolarHBondContact O-N 3.12Å; K338-Q341 WeakPolarHBondContact O-CB 3.22Å; K338-Q341 PolarHBondContact O-N 2.95Å; K338-Q341 VanDerWaalsContact O-N 3.13Å; K338-E342 WeakPolarHBondContact CE-OE1 3.48Å; K338-E342 IonicContact NZ-OE1 2.73Å; K338-E342 WeakPolarHBondContact O-CG 3.48Å; K338-E342 PolarHBondContact O-N 3.33Å
339W95.2Very high93.5Very high72 Ų7249.6 Ų49.627%0.27326%0.261SS..Hα-helixtrans-57.8-42.6174.5167.678.5000111.9T335 Q341 E342 L343 F367 F371 I403T335-W339 VanDerWaalsContact O-CB 3.32Å; T335-W339 WeakPolarHBondContact O-CB 3.27Å; T335-W339 PolarHBondContact O-N 2.79Å; W339-Q341 VanDerWaalsContact C-N 3.3Å; W339-Q341 PolarHBondContact O-N 3.32Å; W339-E342 PolarHBondContact O-N 3.41Å; W339-L343 HydrophobicContact CD2-CD1 4.04Å; W339-L343 VanDerWaalsContact CE2-CD1 3.43Å; W339-L343 HydrophobicContact CE3-CD1 4.36Å; W339-L343 HydrophobicContact CH2-CD1 3.64Å; W339-L343 HydrophobicContact CZ2-CD1 3.24Å; W339-L343 HydrophobicContact CZ2-CG 4.35Å; W339-L343 HydrophobicContact CZ3-CD1 4.18Å; W339-L343 WeakPolarHBondContact O-CG 3.49Å; W339-L343 PolarHBondContact O-N 3.13Å; W339-F367 HydrophobicContact CE3-CE2 4.34Å; W339-F367 HydrophobicContact CE3-CZ 4.12Å; W339-F367 AromaticContact CH2-CE2 3.88Å; W339-F367 HydrophobicContact CH2-CE2 3.88Å; W339-F367 HydrophobicContact CH2-CZ 4.46Å; W339-F367 HydrophobicContact CZ3-CD2 4.36Å; W339-F367 AromaticContact CZ3-CE2 3.57Å; W339-F367 HydrophobicContact CZ3-CE2 3.57Å; W339-F367 AromaticContact CZ3-CZ 3.77Å; W339-F367 HydrophobicContact CZ3-CZ 3.77Å; W339-F371 HydrophobicContact CB-CZ 4.32Å; W339-F371 HydrophobicContact CD2-CE1 4.29Å; W339-F371 HydrophobicContact CD2-CE2 4.41Å; W339-F371 AromaticContact CD2-CZ 3.56Å; W339-F371 HydrophobicContact CD2-CZ 3.56Å; W339-F371 AromaticContact CE2-CZ 3.83Å; W339-F371 AromaticContact CE3-CZ 3.9Å; W339-F371 HydrophobicContact CE3-CZ 3.9Å; W339-F371 HydrophobicContact CG-CE1 4.33Å; W339-F371 HydrophobicContact CG-CE2 4.43Å; W339-F371 AromaticContact CG-CZ 3.75Å; W339-F371 HydrophobicContact CG-CZ 3.75Å; W339-F371 HydrophobicContact CZ2-CZ 4.35Å; W339-F371 HydrophobicContact CZ3-CZ 4.44Å; W339-I403 HydrophobicContact CZ3-CD1 4.01Å
340A96.8Very high93.7Very high1 Ų157.6 Ų57.61%0.00829%0.289CS..Hα-helixtrans-62.8-36.4176.400000112.8A336 I337 K338 L343 L345 F346 I403A336-A340 WeakPolarHBondContact O-CB 3.42Å; A336-A340 PolarHBondContact O-N 2.87Å; I337-A340 WeakPolarHBondContact O-CB 3.43Å; I337-A340 PolarHBondContact O-N 3.02Å; K338-A340 VanDerWaalsContact C-N 3.3Å; K338-A340 PolarHBondContact O-N 3.12Å; A340-L343 PolarHBondContact O-N 3.02Å; A340-L345 HydrophobicContact CB-CD1 4.09Å; A340-L345 WeakPolarHBondContact O-CB 3.35Å; A340-L345 PolarHBondContact O-N 2.82Å; A340-L345 VanDerWaalsContact O-N 3.16Å; A340-F346 HydrophobicContact CB-CE1 3.62Å; A340-F346 HydrophobicContact CB-CZ 4.23Å; A340-I403 HydrophobicContact CB-CD1 3.71Å
341Q96.8Very high94.1Very high79 Ų7961 Ų6137%0.36930%0.304SS..Hα-helixtrans-66.5-42.9173.3-166.8179.422.300111.5I337 K338 W339 L343 E344 F346 S347I337-Q341 PolarHBondContact O-N 3.4Å; K338-Q341 WeakPolarHBondContact O-CB 3.22Å; K338-Q341 PolarHBondContact O-N 2.95Å; K338-Q341 VanDerWaalsContact O-N 3.13Å; W339-Q341 VanDerWaalsContact C-N 3.3Å; W339-Q341 PolarHBondContact O-N 3.32Å; Q341-L343 PolarHBondContact O-N 3.26Å; Q341-E344 WeakPolarHBondContact O-CA 3.37Å; Q341-E344 PolarHBondContact O-N 3.07Å; Q341-F346 HydrophobicContact CB-CD2 4.3Å; Q341-F346 HydrophobicContact CB-CE2 3.62Å; Q341-F346 HydrophobicContact CB-CZ 3.8Å; Q341-F346 HydrophobicContact CG-CD2 4.17Å; Q341-F346 HydrophobicContact CG-CE2 3.82Å; Q341-F346 HydrophobicContact CG-CZ 4.5Å; Q341-S347 PolarHBondContact NE2-O 3.06Å
342E95.1Very high94.7Very high128 Ų12859.9 Ų59.960%0.59830%0.295SS*.Hα-helixtrans-65-24.5176.6-70.7171.2179.800112.7K338 W339 E344K338-E342 WeakPolarHBondContact CE-OE1 3.48Å; K338-E342 IonicContact NZ-OE1 2.73Å; K338-E342 WeakPolarHBondContact O-CG 3.48Å; K338-E342 PolarHBondContact O-N 3.33Å; W339-E342 PolarHBondContact O-N 3.41Å; E342-E344 PolarHBondContact O-N 2.96Å
343L96.5Very high95.2Very high90 Ų9060.1 Ų60.147%0.47130%0.297SS..THydrogen-bonded Turntrans-82.16.8169.2-69.8-173.8000114.1W339 A340 Q341 L345W339-L343 HydrophobicContact CD2-CD1 4.04Å; W339-L343 VanDerWaalsContact CE2-CD1 3.43Å; W339-L343 HydrophobicContact CE3-CD1 4.36Å; W339-L343 HydrophobicContact CH2-CD1 3.64Å; W339-L343 HydrophobicContact CZ2-CD1 3.24Å; W339-L343 HydrophobicContact CZ2-CG 4.35Å; W339-L343 HydrophobicContact CZ3-CD1 4.18Å; W339-L343 WeakPolarHBondContact O-CG 3.49Å; W339-L343 PolarHBondContact O-N 3.13Å; A340-L343 PolarHBondContact O-N 3.02Å; Q341-L343 PolarHBondContact O-N 3.26Å; L343-L345 HydrophobicContact CB-CG 4.16Å; L343-L345 PolarHBondContact O-N 2.97Å; L343-L345 VanDerWaalsContact O-N 3.15Å
344E97Very high95.5Very high149 Ų14965.5 Ų65.570%0.69633%0.326SS*.THydrogen-bonded Turntrans5631.7-179.3-53.4-178.7170.900112.9Q341 E342 K396Q341-E344 WeakPolarHBondContact O-CA 3.37Å; Q341-E344 PolarHBondContact O-N 3.07Å; E342-E344 PolarHBondContact O-N 2.96Å; E344-K396 PolarHBondContact O-NZ 2.92Å
345L97.4Very high95.8Very high23 Ų2366.2 Ų66.212%0.1233%0.325CS..SBendtrans-69-28.9172.3-63.3-173000111.3A340 L343 K396 L399 V400 I403A340-L345 HydrophobicContact CB-CD1 4.09Å; A340-L345 WeakPolarHBondContact O-CB 3.35Å; A340-L345 PolarHBondContact O-N 2.82Å; A340-L345 VanDerWaalsContact O-N 3.16Å; L343-L345 HydrophobicContact CB-CG 4.16Å; L343-L345 PolarHBondContact O-N 2.97Å; L343-L345 VanDerWaalsContact O-N 3.15Å; L345-K396 HydrophobicContact CD2-CG 4.47Å; L345-L399 HydrophobicContact CD1-CB 4.17Å; L345-L399 HydrophobicContact CD2-CD1 4.02Å; L345-V400 HydrophobicContact CB-CG2 4Å; L345-I403 HydrophobicContact CD1-CD1 3.88Å
346F97.1Very high96.2Very high12 Ų1263.9 Ų63.95%0.05331%0.311CS..  trans-154.2158175.258.2-94.6000109.1I337 A340 Q341 V349 E351 T352 M355 V400I337-F346 HydrophobicContact CG2-CZ 3.79Å; I337-F346 VanDerWaalsContact O-CZ 3.31Å; I337-F346 WeakPolarHBondContact O-CZ 3.29Å; A340-F346 HydrophobicContact CB-CE1 3.62Å; A340-F346 HydrophobicContact CB-CZ 4.23Å; Q341-F346 HydrophobicContact CB-CD2 4.3Å; Q341-F346 HydrophobicContact CB-CE2 3.62Å; Q341-F346 HydrophobicContact CB-CZ 3.8Å; Q341-F346 HydrophobicContact CG-CD2 4.17Å; Q341-F346 HydrophobicContact CG-CE2 3.82Å; Q341-F346 HydrophobicContact CG-CZ 4.5Å; F346-V349 HydrophobicContact CE2-CB 4.14Å; F346-V349 HydrophobicContact CE2-CG2 4.41Å; F346-E351 HydrophobicContact CB-CG 4.21Å; F346-E351 VanDerWaalsContact CB-OE1 3.29Å; F346-E351 WeakPolarHBondContact CB-OE1 3.37Å; F346-T352 HydrophobicContact CB-CG2 4.26Å; F346-T352 HydrophobicContact CD1-CG2 3.57Å; F346-T352 HydrophobicContact CD2-CG2 3.57Å; F346-T352 HydrophobicContact CE1-CG2 3.63Å; F346-T352 HydrophobicContact CE2-CG2 3.66Å; F346-T352 HydrophobicContact CG-CG2 3.53Å; F346-T352 HydrophobicContact CZ-CG2 3.68Å; F346-M355 HydrophobicContact CB-CE 4.45Å; F346-M355 HydrophobicContact CB-SD 3.73Å; F346-V400 HydrophobicContact CD1-CG2 3.85Å
347S94.4Very high96.3Very high103 Ų10369.5 Ų69.572%0.7233%0.333SS*.SBendtrans-97.1-39.3178.9-620000111.5Q341 E351Q341-S347 PolarHBondContact NE2-O 3.06Å; S347-E351 PolarHBondContact N-OE1 3.32Å
348D95.1Very high96.4Very high51 Ų5172.7 Ų72.727%0.27336%0.356SS..  trans-119.2120.5-178.8-173.1-15.2000110.5R350 E351D348-R350 PolarHBondContact O-N 3.09Å; D348-R350 WeakPolarHBondContact OD1-CB 3.49Å; D348-R350 WeakPolarHBondContact OD1-CG 3.33Å; D348-R350 PolarHBondContact OD1-N 2.99Å; D348-R350 IonicContact OD1-NE 3.83Å; D348-R350 PolarHBondContact OD1-NE 3.38Å; D348-R350 VanDerWaalsContact OD1-NE 3.11Å; D348-R350 IonicContact OD2-CZ 2.77Å; D348-R350 IonicContact OD2-NE 3.76Å; D348-R350 PolarHBondContact OD2-NE 3.36Å; D348-R350 IonicContact OD2-NH2 3.67Å; D348-R350 PolarHBondContact OD2-NH2 3Å; D348-E351 PolarHBondContact N-OE1 3.48Å; D348-E351 WeakPolarHBondContact O-CG 3.18Å; D348-E351 PolarHBondContact O-N 3.11Å
349V94.6Very high96.6Very high61 Ų6167.6 Ų67.637%0.3734%0.336SS..G310 helixtrans-54.1-26.8178.369.90000113.1I337 F346 E351 T352I337-V349 HydrophobicContact CG2-CG2 3.62Å; F346-V349 HydrophobicContact CE2-CB 4.14Å; F346-V349 HydrophobicContact CE2-CG2 4.41Å; V349-E351 PolarHBondContact O-N 2.9Å; V349-T352 WeakPolarHBondContact O-CB 3.34Å; V349-T352 WeakPolarHBondContact O-CG2 3.37Å; V349-T352 PolarHBondContact O-N 3.45Å; V349-T352 PolarHBondContact O-OG1 3.29Å
350R95Very high96.4Very high197 Ų19769 Ų6974%0.74336%0.356SS*.G310 helixtrans-65-27178.4-63.3177-68.9-1781.7112.8D348 T352D348-R350 PolarHBondContact O-N 3.09Å; D348-R350 WeakPolarHBondContact OD1-CB 3.49Å; D348-R350 WeakPolarHBondContact OD1-CG 3.33Å; D348-R350 PolarHBondContact OD1-N 2.99Å; D348-R350 IonicContact OD1-NE 3.83Å; D348-R350 PolarHBondContact OD1-NE 3.38Å; D348-R350 VanDerWaalsContact OD1-NE 3.11Å; D348-R350 IonicContact OD2-CZ 2.77Å; D348-R350 IonicContact OD2-NE 3.76Å; D348-R350 PolarHBondContact OD2-NE 3.36Å; D348-R350 IonicContact OD2-NH2 3.67Å; D348-R350 PolarHBondContact OD2-NH2 3Å; R350-T352 VanDerWaalsContact C-N 3.33Å
351E96.1Very high96.3Very high75 Ų7572.1 Ų72.135%0.3537%0.373SS..G310 helixtrans-80.1-17.7-178.787.6-159147.400112.8F346 S347 D348 V349 S353 D354 M355F346-E351 HydrophobicContact CB-CG 4.21Å; F346-E351 VanDerWaalsContact CB-OE1 3.29Å; F346-E351 WeakPolarHBondContact CB-OE1 3.37Å; S347-E351 PolarHBondContact N-OE1 3.32Å; D348-E351 PolarHBondContact N-OE1 3.48Å; D348-E351 WeakPolarHBondContact O-CG 3.18Å; D348-E351 PolarHBondContact O-N 3.11Å; V349-E351 PolarHBondContact O-N 2.9Å; E351-S353 VanDerWaalsContact C-N 3.25Å; E351-S353 PolarHBondContact O-N 3.36Å; E351-D354 PolarHBondContact O-N 2.76Å; E351-M355 HydrophobicContact CG-CG 4.18Å; E351-M355 HydrophobicContact CG-SD 3.74Å; E351-M355 WeakPolarHBondContact O-CG 3.39Å; E351-M355 PolarHBondContact O-N 3.13Å
352T97.7Very high96.3Very high1 Ų168.6 Ų68.61%0.00636%0.357CS..Hα-helixtrans-61.4-30.9-173.160.80000113.7F346 V349 R350 A356 V400 L404 N438F346-T352 HydrophobicContact CB-CG2 4.26Å; F346-T352 HydrophobicContact CD1-CG2 3.57Å; F346-T352 HydrophobicContact CD2-CG2 3.57Å; F346-T352 HydrophobicContact CE1-CG2 3.63Å; F346-T352 HydrophobicContact CE2-CG2 3.66Å; F346-T352 HydrophobicContact CG-CG2 3.53Å; F346-T352 HydrophobicContact CZ-CG2 3.68Å; V349-T352 WeakPolarHBondContact O-CB 3.34Å; V349-T352 WeakPolarHBondContact O-CG2 3.37Å; V349-T352 PolarHBondContact O-N 3.45Å; V349-T352 PolarHBondContact O-OG1 3.29Å; R350-T352 VanDerWaalsContact C-N 3.33Å; T352-A356 PolarHBondContact O-N 2.8Å; T352-A356 VanDerWaalsContact O-N 3.07Å; T352-V400 HydrophobicContact CG2-CG1 4.18Å; T352-L404 WeakPolarHBondContact O-CD1 3.39Å; T352-N438 PolarHBondContact OG1-ND2 2.95Å
353S97.6Very high96.3Very high10 Ų1063.6 Ų63.67%0.0733%0.334CS..Hα-helixtrans-66.1-43.2174.9-171.50000111.1E351 A356 Y357 N438 F440E351-S353 VanDerWaalsContact C-N 3.25Å; E351-S353 PolarHBondContact O-N 3.36Å; S353-A356 PolarHBondContact O-N 2.71Å; S353-Y357 WeakPolarHBondContact O-CD2 3.38Å; S353-Y357 PolarHBondContact O-N 3.02Å; S353-N438 PolarHBondContact N-ND2 3Å; S353-F440 PolarHBondContact OG-N 3.25Å
354D97.8Very high96.2Very high117 Ų11761.5 Ų61.563%0.62634%0.335SS*.Hα-helixtrans-72.9-36.5-179.2-64.2-21.6000110.7E351 A356 Y357 S358E351-D354 PolarHBondContact O-N 2.76Å; D354-A356 VanDerWaalsContact C-N 3.32Å; D354-A356 PolarHBondContact O-N 3.2Å; D354-Y357 CarbonylContact O-C 3.56Å; D354-Y357 PolarHBondContact O-N 3.09Å; D354-S358 PolarHBondContact O-N 3.31Å
355M98Very high96.3Very high31 Ų3154.5 Ų54.515%0.15330%0.302CS..Hα-helixtrans-58.1-44171.1-68.1179.973.800111.9F346 E351 Y357 S358 V400F346-M355 HydrophobicContact CB-CE 4.45Å; F346-M355 HydrophobicContact CB-SD 3.73Å; E351-M355 HydrophobicContact CG-CG 4.18Å; E351-M355 HydrophobicContact CG-SD 3.74Å; E351-M355 WeakPolarHBondContact O-CG 3.39Å; E351-M355 PolarHBondContact O-N 3.13Å; M355-Y357 VanDerWaalsContact C-N 3.31Å; M355-Y357 PolarHBondContact O-N 3.43Å; M355-S358 WeakPolarHBondContact O-CB 3.28Å; M355-S358 PolarHBondContact O-N 2.84Å; M355-S358 PolarHBondContact O-OG 3.42Å; M355-V400 HydrophobicContact CB-CG1 4.19Å; M355-V400 HydrophobicContact CE-CB 4.26Å; M355-V400 HydrophobicContact CE-CG2 3.69Å; M355-V400 HydrophobicContact SD-CG1 4.4Å; M355-V400 HydrophobicContact SD-CG2 4.24Å
356A97.6Very high96.3Very high0 Ų053.9 Ų53.90%030%0.3CS..Hα-helixtrans-67.6-32.2178.800000112.9T352 S353 D354 R401 L404 F440T352-A356 PolarHBondContact O-N 2.8Å; T352-A356 VanDerWaalsContact O-N 3.07Å; S353-A356 PolarHBondContact O-N 2.71Å; D354-A356 VanDerWaalsContact C-N 3.32Å; D354-A356 PolarHBondContact O-N 3.2Å; A356-R401 HydrophobicContact CB-CB 4.12Å; A356-R401 HydrophobicContact CB-CG 4.24Å; A356-R401 WeakPolarHBondContact O-CD 3.22Å; A356-R401 PolarHBondContact O-NH1 2.9Å; A356-L404 HydrophobicContact CB-CD1 3.97Å; A356-F440 HydrophobicContact CB-CB 4.3Å; A356-F440 HydrophobicContact CB-CD1 3.99Å; A356-F440 HydrophobicContact CB-CD2 3.73Å; A356-F440 HydrophobicContact CB-CE1 4.24Å; A356-F440 HydrophobicContact CB-CE2 4Å; A356-F440 HydrophobicContact CB-CG 3.73Å; A356-F440 HydrophobicContact CB-CZ 4.26Å
357Y97.3Very high96.3Very high118 Ų11853.4 Ų53.446%0.46330%0.298SS..Hα-helixtrans-79-16.8173.3-73.3-57.2000113.7S353 D354 M355 V359 F440S353-Y357 WeakPolarHBondContact O-CD2 3.38Å; S353-Y357 PolarHBondContact O-N 3.02Å; D354-Y357 CarbonylContact O-C 3.56Å; D354-Y357 PolarHBondContact O-N 3.09Å; M355-Y357 VanDerWaalsContact C-N 3.31Å; M355-Y357 PolarHBondContact O-N 3.43Å; Y357-V359 PolarHBondContact O-N 3.26Å; Y357-F440 HydrophobicContact CD1-CD2 4.01Å; Y357-F440 HydrophobicContact CD2-CB 4.46Å; Y357-F440 AromaticContact CE1-CD2 3.68Å; Y357-F440 HydrophobicContact CE1-CD2 3.68Å; Y357-F440 HydrophobicContact CE1-CE2 4.37Å; Y357-F440 HydrophobicContact CE2-CB 3.86Å; Y357-F440 HydrophobicContact CE2-CD2 4.22Å; Y357-F440 HydrophobicContact CG-CD2 4.4Å; Y357-F440 AromaticContact CZ-CD2 3.8Å; Y357-F440 WeakPolarHBondContact OH-CA 3.37Å
358S97.8Very high96.5Very high79 Ų7948.5 Ų48.555%0.55226%0.263SS*.THydrogen-bonded Turntrans-69.4-14.8178.574.50000114.1D354 M355 S397D354-S358 PolarHBondContact O-N 3.31Å; M355-S358 WeakPolarHBondContact O-CB 3.28Å; M355-S358 PolarHBondContact O-N 2.84Å; M355-S358 PolarHBondContact O-OG 3.42Å; S358-S397 PolarHBondContact OG-OG 3.4Å
359V96.9Very high96.4Very high23 Ų2346.5 Ų46.514%0.13925%0.253CS..SBendtrans-122.1150.3178.1-65.80000109.8Y357 D361 R401Y357-V359 PolarHBondContact O-N 3.26Å; V359-D361 VanDerWaalsContact CG2-O 3.3Å; V359-D361 WeakPolarHBondContact CG2-O 3.29Å; V359-R401 HydrophobicContact CG2-CB 4.28Å; V359-R401 PolarHBondContact O-NH1 3.38Å
360S92.6Very high96.2Very high100 Ų10043.6 Ų43.670%0.69924%0.235SC*.SBendtrans-71.4-31.4-179.950.90000113.1R401S360-R401 PolarHBondContact O-NH1 3.24Å; S360-R401 PolarHBondContact O-NH2 3.2Å
361D94.6Very high95.8Very high68 Ų6838.1 Ų38.136%0.36422%0.217SC..SBendtrans-155.4-179.3-174.855.267.9000110.6V359 D363 H398V359-D361 VanDerWaalsContact CG2-O 3.3Å; V359-D361 WeakPolarHBondContact CG2-O 3.29Å; D361-D363 VanDerWaalsContact C-N 3.26Å; D361-D363 PolarHBondContact O-N 2.67Å; D361-D363 VanDerWaalsContact OD1-CA 3.24Å; D361-D363 WeakPolarHBondContact OD1-CA 3.37Å; D361-D363 PolarHBondContact OD1-N 3.33Å; D361-H398 PolarHBondContact O-CD2 2.75Å
362S95.9Very high95.2Very high4 Ų438.1 Ų38.13%0.02823%0.226CC..  trans-84.712.4177.641.70000113.7G364 V365 E405S362-G364 PolarHBondContact O-N 3.47Å; S362-V365 WeakPolarHBondContact O-CB 3.25Å; S362-V365 VanDerWaalsContact O-CG2 3.24Å; S362-V365 WeakPolarHBondContact O-CG2 3.16Å; S362-V365 PolarHBondContact O-N 2.92Å; S362-V365 PolarHBondContact OG-O 3.48Å; S362-E405 WeakPolarHBondContact CB-OE2 2.92Å; S362-E405 PolarHBondContact OG-OE2 3.21Å
363D95.5Very high94.7Very high23 Ų2338.2 Ų38.212%0.12323%0.227CC..THydrogen-bonded Turntrans55.328.6-171.9-166.817.1000113D361 V365 K391 S393 H398D361-D363 VanDerWaalsContact C-N 3.26Å; D361-D363 PolarHBondContact O-N 2.67Å; D361-D363 VanDerWaalsContact OD1-CA 3.24Å; D361-D363 WeakPolarHBondContact OD1-CA 3.37Å; D361-D363 PolarHBondContact OD1-N 3.33Å; D363-V365 VanDerWaalsContact C-N 3.25Å; D363-V365 PolarHBondContact O-N 2.98Å; D363-K391 WeakPolarHBondContact O-CE 2.91Å; D363-K391 PolarHBondContact O-NZ 3.27Å; D363-K391 IonicContact OD1-NZ 2.73Å; D363-K391 PolarHBondContact OD1-NZ 2.96Å; D363-S393 PolarHBondContact OD2-OG 3.23Å; D363-H398 HydrophobicContact CB-CB 4.34Å
364G94.8Very high94.3Very high47 Ų4738 Ų3849%0.48523%0.225SC..THydrogen-bonded Turntrans77.24.7-175.300000114.8S362S362-G364 PolarHBondContact O-N 3.47Å
365V97.7Very high93.9Very high1 Ų133.6 Ų33.61%0.00620%0.201CC..  trans-70.7129.7176.1-177.50000109.9S362 D363 L387 M388 L390 T394 L399 A402S362-V365 WeakPolarHBondContact O-CB 3.25Å; S362-V365 VanDerWaalsContact O-CG2 3.24Å; S362-V365 WeakPolarHBondContact O-CG2 3.16Å; S362-V365 PolarHBondContact O-N 2.92Å; S362-V365 PolarHBondContact OG-O 3.48Å; D363-V365 VanDerWaalsContact C-N 3.25Å; D363-V365 PolarHBondContact O-N 2.98Å; V365-L387 HydrophobicContact CG1-CD1 3.7Å; V365-L387 HydrophobicContact CG1-CG 4.05Å; V365-M388 CarbonylContact C-O 3.53Å; V365-M388 WeakPolarHBondContact CA-O 3.4Å; V365-L390 HydrophobicContact CG1-CD2 4.1Å; V365-L390 HydrophobicContact CG2-CD2 4.07Å; V365-T394 HydrophobicContact CG2-CG2 3.78Å; V365-L399 HydrophobicContact CG1-CD2 4.01Å; V365-A402 HydrophobicContact CB-CB 4.11Å; V365-A402 HydrophobicContact CG1-CB 3.93Å; V365-A402 WeakPolarHBondContact O-CB 3.3Å
366C97.9Very high93.1Very high11 Ų1132.2 Ų32.27%0.07419%0.194CC..EExtended strand (participates in β ladder)trans-116.2121.5176.3-63.60000109.3L387 M388 A515C366-L387 WeakPolarHBondContact O-CA 3.19Å; C366-M388 PolarHBondContact N-O 3.46Å; C366-M388 PolarHBondContact O-N 2.62Å; C366-A515 HydrophobicContact CB-CB 3.58Å
367F98.1Very high92.5Very high2 Ų234.6 Ų34.61%0.00921%0.209CC..EExtended strand (participates in β ladder)trans-100.3136.2170178.5-113.1000110.5A336 W339 P369 F371 S386 L387 A402 I403 S406 W512A336-F367 HydrophobicContact CB-CE1 3.75Å; A336-F367 HydrophobicContact CB-CZ 4.21Å; W339-F367 HydrophobicContact CE3-CE2 4.34Å; W339-F367 HydrophobicContact CE3-CZ 4.12Å; W339-F367 AromaticContact CH2-CE2 3.88Å; W339-F367 HydrophobicContact CH2-CE2 3.88Å; W339-F367 HydrophobicContact CH2-CZ 4.46Å; W339-F367 HydrophobicContact CZ3-CD2 4.36Å; W339-F367 AromaticContact CZ3-CE2 3.57Å; W339-F367 HydrophobicContact CZ3-CE2 3.57Å; W339-F367 AromaticContact CZ3-CZ 3.77Å; W339-F367 HydrophobicContact CZ3-CZ 3.77Å; F367-P369 HydrophobicContact CD1-CB 4.37Å; F367-P369 HydrophobicContact CE1-CB 3.67Å; F367-P369 HydrophobicContact CE1-CG 4.35Å; F367-P369 HydrophobicContact CZ-CB 4.24Å; F367-F371 AromaticContact CZ-CE2 3.97Å; F367-F371 HydrophobicContact CZ-CE2 3.97Å; F367-F371 HydrophobicContact CZ-CZ 4.04Å; F367-S386 CarbonylContact C-O 3.6Å; F367-S386 WeakPolarHBondContact CA-O 3.41Å; F367-S386 WeakPolarHBondContact CD2-O 3.34Å; F367-L387 HydrophobicContact CB-CD1 3.88Å; F367-L387 HydrophobicContact CD2-CD1 3.9Å; F367-L387 HydrophobicContact CG-CD1 4.33Å; F367-A402 HydrophobicContact CB-CB 4.38Å; F367-I403 HydrophobicContact CB-CG1 4.08Å; F367-I403 HydrophobicContact CD1-CB 4.08Å; F367-I403 HydrophobicContact CD1-CG1 3.7Å; F367-I403 HydrophobicContact CD1-CG2 4.16Å; F367-I403 HydrophobicContact CD2-CG1 4.3Å; F367-I403 HydrophobicContact CE1-CG1 4.14Å; F367-I403 HydrophobicContact CE1-CG2 4.17Å; F367-I403 HydrophobicContact CG-CG1 3.76Å; F367-S406 WeakPolarHBondContact O-CB 3.42Å; F367-S406 PolarHBondContact O-OG 3.01Å; F367-W512 VanDerWaalsContact O-CD1 3.28Å; F367-W512 PolarHBondContact O-NE1 2.73Å
368V97.4Very high92Very high0 Ų031.3 Ų31.30%020%0.199CC..EExtended strand (participates in β ladder)trans-119.7109.7175.1-1750000109S370 L374 A385 S386 A515 L516V368-S370 PolarHBondContact O-N 2.92Å; V368-S370 VanDerWaalsContact O-N 3.1Å; V368-L374 HydrophobicContact CG1-CD2 4.33Å; V368-A385 VanDerWaalsContact O-CA 3.27Å; V368-A385 WeakPolarHBondContact O-CA 3.34Å; V368-S386 PolarHBondContact N-O 3.41Å; V368-S386 PolarHBondContact O-N 2.87Å; V368-S386 VanDerWaalsContact O-N 3.15Å; V368-A515 HydrophobicContact CG2-CB 4.11Å; V368-L516 HydrophobicContact CG1-CB 4.26Å; V368-L516 HydrophobicContact CG1-CD1 4.33Å; V368-L516 HydrophobicContact CG1-CG 4.15Å; V368-L516 HydrophobicContact CG2-CB 4.13Å
369P93Very high91.3Very high8 Ų831.9 Ų31.95%0.05220%0.196CC..  trans-83.779.7-17731-34.7000110.8D332 A336 F367 S406 R410D332-P369 HydrophobicContact CB-CB 4.14Å; A336-P369 HydrophobicContact CB-CB 4.13Å; F367-P369 HydrophobicContact CD1-CB 4.37Å; F367-P369 HydrophobicContact CE1-CB 3.67Å; F367-P369 HydrophobicContact CE1-CG 4.35Å; F367-P369 HydrophobicContact CZ-CB 4.24Å; P369-S406 WeakPolarHBondContact CD-OG 3.2Å; P369-R410 HydrophobicContact CG-CG 4.21Å
370S91.9Very high90.8Very high0 Ų031.2 Ų31.20%019%0.192CC..  trans-12756.6175.250.20000111.4V368 C384 A385V368-S370 PolarHBondContact O-N 2.92Å; V368-S370 VanDerWaalsContact O-N 3.1Å; S370-C384 CarbonylContact O-C 3.55Å; S370-C384 PolarHBondContact OG-O 3.42Å; S370-A385 PolarHBondContact O-N 3.2Å; S370-A385 VanDerWaalsContact O-N 3.1Å; S370-A385 PolarHBondContact OG-N 2.94Å
371F86.5Confident90.3Very high82 Ų8231.6 Ų31.636%0.3619%0.192SC..THydrogen-bonded Turntrans-66.1-33.2169.7-60.7-75000110.7D332 A336 W339 F367 A385D332-F371 HydrophobicContact CB-CD2 4.04Å; D332-F371 WeakPolarHBondContact OD2-CA 3.06Å; D332-F371 WeakPolarHBondContact OD2-CB 3.16Å; D332-F371 PolarHBondContact OD2-N 3.12Å; A336-F371 HydrophobicContact CB-CE2 4.37Å; W339-F371 HydrophobicContact CB-CZ 4.32Å; W339-F371 HydrophobicContact CD2-CE1 4.29Å; W339-F371 HydrophobicContact CD2-CE2 4.41Å; W339-F371 AromaticContact CD2-CZ 3.56Å; W339-F371 HydrophobicContact CD2-CZ 3.56Å; W339-F371 AromaticContact CE2-CZ 3.83Å; W339-F371 AromaticContact CE3-CZ 3.9Å; W339-F371 HydrophobicContact CE3-CZ 3.9Å; W339-F371 HydrophobicContact CG-CE1 4.33Å; W339-F371 HydrophobicContact CG-CE2 4.43Å; W339-F371 AromaticContact CG-CZ 3.75Å; W339-F371 HydrophobicContact CG-CZ 3.75Å; W339-F371 HydrophobicContact CZ2-CZ 4.35Å; W339-F371 HydrophobicContact CZ3-CZ 4.44Å; F367-F371 AromaticContact CZ-CE2 3.97Å; F367-F371 HydrophobicContact CZ-CE2 3.97Å; F367-F371 HydrophobicContact CZ-CZ 4.04Å; F371-A385 HydrophobicContact CD1-CB 3.54Å; F371-A385 HydrophobicContact CD2-CB 4.35Å; F371-A385 HydrophobicContact CE1-CB 3.51Å; F371-A385 HydrophobicContact CE2-CB 4.34Å; F371-A385 HydrophobicContact CG-CB 3.97Å; F371-A385 HydrophobicContact CZ-CB 3.93Å
372S83.4Confident89.8Confident76 Ų7632.4 Ų32.453%0.53119%0.19SC..THydrogen-bonded Turntrans-106.524.2179-51.20000112.3D332 Q375D332-S372 PolarHBondContact OD1-OG 2.72Å; D332-S372 PolarHBondContact OD2-N 3.36Å; S372-Q375 PolarHBondContact O-NE2 3.34Å
373G86.8Confident89.5Confident3 Ų332.3 Ų32.33%0.03119%0.189CC..  trans72.1-176.7-17000000113.5Q375G373-Q375 PolarHBondContact O-NE2 2.77Å
374L88.6Confident89.4Confident4 Ų431.7 Ų31.72%0.02119%0.187CC..BIsolated β-bridgetrans-105.2123.1179.1-70.7169.8000110.9V368 L378 N379 D380 A383 L516 M520V368-L374 HydrophobicContact CG1-CD2 4.33Å; L374-L378 HydrophobicContact CB-CB 4.3Å; L374-N379 CarbonylContact O-C 3.56Å; L374-N379 VanDerWaalsContact O-CA 3.23Å; L374-N379 WeakPolarHBondContact O-CA 3.31Å; L374-N379 PolarHBondContact O-N 2.55Å; L374-D380 PolarHBondContact N-O 3.45Å; L374-D380 PolarHBondContact O-N 3.1Å; L374-A383 HydrophobicContact CB-CB 4.18Å; L374-A383 HydrophobicContact CD1-CB 3.64Å; L374-A383 HydrophobicContact CG-CB 3.61Å; L374-L516 HydrophobicContact CD1-CD1 4.4Å; L374-L516 HydrophobicContact CD1-CD2 3.99Å; L374-L516 HydrophobicContact CD1-CG 3.91Å; L374-L516 HydrophobicContact CD2-CD1 4.19Å; L374-M520 HydrophobicContact CD1-CG 3.94Å
375Q89.1Confident89.4Confident26 Ų2630.9 Ų30.912%0.12118%0.176CC..  trans-82.8-156.1175-62.669.741.300110.4N329 A331 S372 G373 L378 N379N329-Q375 WeakPolarHBondContact O-CB 3.12Å; A331-Q375 VanDerWaalsContact CB-OE1 3.25Å; S372-Q375 PolarHBondContact O-NE2 3.34Å; G373-Q375 PolarHBondContact O-NE2 2.77Å; Q375-L378 PolarHBondContact O-N 2.89Å; Q375-N379 PolarHBondContact O-N 2.89Å
376A82.8Confident89.3Confident1 Ų131.6 Ų31.61%0.00818%0.181CC..THydrogen-bonded Turntrans-50.9144.9179.600000111.8N379 R410 L414A376-N379 PolarHBondContact N-OD1 3.27Å; A376-R410 PolarHBondContact O-NH2 3.31Å; A376-L414 HydrophobicContact CB-CD2 4.33Å
377P83.6Confident89.2Confident51 Ų5133.9 Ų33.933%0.33119%0.192SC..THydrogen-bonded Turncis-83.6-1.8-533.2-36.2000114.7T417P377-T417 HydrophobicContact CB-CG2 4.17Å; P377-T417 WeakPolarHBondContact CB-OG1 3.2Å; P377-T417 WeakPolarHBondContact CG-OG1 3.34Å
378L86.4Confident89.2Confident48 Ų4836.3 Ų36.325%0.25120%0.204SC..THydrogen-bonded Turntrans-84.7-34.9-169.6-63107.8000113.3L374 Q375 D380 L516 M520L374-L378 HydrophobicContact CB-CB 4.3Å; Q375-L378 PolarHBondContact O-N 2.89Å; L378-D380 VanDerWaalsContact C-N 3.31Å; L378-D380 PolarHBondContact O-N 3.35Å; L378-L516 HydrophobicContact CD1-CD1 4.44Å; L378-L516 HydrophobicContact CD1-CD2 3.87Å; L378-L516 HydrophobicContact CD2-CD2 3.34Å; L378-L516 HydrophobicContact CG-CD2 4.25Å; L378-M520 HydrophobicContact CB-CE 4.22Å; L378-M520 HydrophobicContact CD2-CE 3.82Å; L378-M520 HydrophobicContact CD2-SD 3.44Å; L378-M520 WeakPolarHBondContact CD2-SD 3.06Å
379N84.4Confident89.1Confident92 Ų9238.5 Ų38.549%0.49223%0.226SC..  trans51.146.7177.4-59.6-49.5000113.3L374 Q375 A376 P381L374-N379 CarbonylContact O-C 3.56Å; L374-N379 VanDerWaalsContact O-CA 3.23Å; L374-N379 WeakPolarHBondContact O-CA 3.31Å; L374-N379 PolarHBondContact O-N 2.55Å; Q375-N379 PolarHBondContact O-N 2.89Å; A376-N379 PolarHBondContact N-OD1 3.27Å; N379-P381 WeakPolarHBondContact O-CD 3.46Å
380D85.1Confident89.3Confident8 Ų843 Ų434%0.04325%0.249CC..BIsolated β-bridgetrans-107.397177.3-176.910.4000111.2L374 L378 R382 A383 M520 N521L374-D380 PolarHBondContact N-O 3.45Å; L374-D380 PolarHBondContact O-N 3.1Å; L378-D380 VanDerWaalsContact C-N 3.31Å; L378-D380 PolarHBondContact O-N 3.35Å; D380-R382 PolarHBondContact O-N 3.36Å; D380-R382 VanDerWaalsContact O-N 3.15Å; D380-R382 WeakPolarHBondContact OD1-CA 3.44Å; D380-R382 WeakPolarHBondContact OD1-CB 3.39Å; D380-R382 PolarHBondContact OD1-N 2.98Å; D380-A383 HydrophobicContact CB-CB 4.41Å; D380-A383 PolarHBondContact O-N 3.32Å; D380-M520 HydrophobicContact CB-CE 3.85Å; D380-M520 WeakPolarHBondContact OD2-CA 3.16Å; D380-M520 WeakPolarHBondContact OD2-CB 3.36Å; D380-N521 PolarHBondContact OD2-N 2.67Å
381P82.2Confident89.5Confident108 Ų10847.7 Ų47.770%0.70127%0.27SS*.THydrogen-bonded Turntrans-69.7-6.7177.430.6-35.6000113.1N379N379-P381 WeakPolarHBondContact O-CD 3.46Å
382R85.1Confident90Very high86 Ų8651 Ų5133%0.32530%0.299SS..THydrogen-bonded Turntrans-102.72.3-178-56.1-178.5-63.4166.4-6.5113.1D380 N521 W522 Y523D380-R382 PolarHBondContact O-N 3.36Å; D380-R382 VanDerWaalsContact O-N 3.15Å; D380-R382 WeakPolarHBondContact OD1-CA 3.44Å; D380-R382 WeakPolarHBondContact OD1-CB 3.39Å; D380-R382 PolarHBondContact OD1-N 2.98Å; R382-N521 PolarHBondContact NH2-OD1 3.1Å; R382-W522 PolarHBondContact O-N 3.06Å; R382-Y523 WeakPolarHBondContact CD-O 3.48Å; R382-Y523 WeakPolarHBondContact O-CD2 3.43Å; R382-Y523 PolarHBondContact O-N 3.04Å
383A90.1Very high90.6Very high1 Ų150.5 Ų50.51%0.00830%0.296CS..  trans-66144.9175.200000110.8L374 D380 S519L374-A383 HydrophobicContact CB-CB 4.18Å; L374-A383 HydrophobicContact CD1-CB 3.64Å; L374-A383 HydrophobicContact CG-CB 3.61Å; D380-A383 HydrophobicContact CB-CB 4.41Å; D380-A383 PolarHBondContact O-N 3.32Å; A383-S519 CarbonylContact C-O 3.54Å; A383-S519 WeakPolarHBondContact CA-O 3.47Å
384C91.9Very high91.1Very high10 Ų1051.9 Ų51.97%0.06830%0.304CS..  trans-108.5146.5177.269.60000112S370 S386 S519 W522 Y523S370-C384 CarbonylContact O-C 3.55Å; S370-C384 PolarHBondContact OG-O 3.42Å; C384-S386 PolarHBondContact O-N 2.9Å; C384-S519 PolarHBondContact N-O 3.29Å; C384-S519 VanDerWaalsContact O-CB 3.3Å; C384-S519 WeakPolarHBondContact O-CB 3.12Å; C384-W522 HydrophobicContact CB-CB 3.79Å; C384-W522 VanDerWaalsContact CB-CD1 3.42Å; C384-W522 HydrophobicContact CB-CD2 4.44Å; C384-W522 HydrophobicContact CB-CG 3.61Å; C384-W522 VanDerWaalsContact SG-CB 3.59Å; C384-Y523 HydrophobicContact CB-CD2 4.24Å; C384-Y523 HydrophobicContact CB-CE2 3.47Å; C384-Y523 VanDerWaalsContact CB-CE2 3.47Å
385A94.7Very high91.5Very high31 Ų3154.8 Ų54.826%0.25632%0.321SS..  trans-61136.6169.200000109.5V368 S370 F371V368-A385 VanDerWaalsContact O-CA 3.27Å; V368-A385 WeakPolarHBondContact O-CA 3.34Å; S370-A385 PolarHBondContact O-N 3.2Å; S370-A385 VanDerWaalsContact O-N 3.1Å; S370-A385 PolarHBondContact OG-N 2.94Å; F371-A385 HydrophobicContact CD1-CB 3.54Å; F371-A385 HydrophobicContact CD2-CB 4.35Å; F371-A385 HydrophobicContact CE1-CB 3.51Å; F371-A385 HydrophobicContact CE2-CB 4.34Å; F371-A385 HydrophobicContact CG-CB 3.97Å; F371-A385 HydrophobicContact CZ-CB 3.93Å
386S95.7Very high91.9Very high16 Ų1659.2 Ų59.211%0.11234%0.34CS..EExtended strand (participates in β ladder)trans-146.4146-175.460.30000112.7F367 V368 C384 M388 S519F367-S386 CarbonylContact C-O 3.6Å; F367-S386 WeakPolarHBondContact CA-O 3.41Å; F367-S386 WeakPolarHBondContact CD2-O 3.34Å; V368-S386 PolarHBondContact N-O 3.41Å; V368-S386 PolarHBondContact O-N 2.87Å; V368-S386 VanDerWaalsContact O-N 3.15Å; C384-S386 PolarHBondContact O-N 2.9Å; S386-M388 WeakPolarHBondContact OG-CE 3.42Å; S386-S519 WeakPolarHBondContact OG-CB 3.34Å
387L96.4Very high92.6Very high59 Ų5960.3 Ų60.331%0.30935%0.348SS..EExtended strand (participates in β ladder)trans-123.2105.6173.8-169.776.5000107.1V365 C366 F367 L390 L399V365-L387 HydrophobicContact CG1-CD1 3.7Å; V365-L387 HydrophobicContact CG1-CG 4.05Å; C366-L387 WeakPolarHBondContact O-CA 3.19Å; F367-L387 HydrophobicContact CB-CD1 3.88Å; F367-L387 HydrophobicContact CD2-CD1 3.9Å; F367-L387 HydrophobicContact CG-CD1 4.33Å; L387-L390 HydrophobicContact CD2-CD1 4.21Å; L387-L390 HydrophobicContact CD2-CD2 3.88Å; L387-L390 HydrophobicContact CD2-CG 4.39Å; L387-L390 HydrophobicContact CG-CD2 4.21Å; L387-L399 HydrophobicContact CD1-CD2 4.27Å; L387-L399 HydrophobicContact CD2-CD2 3.83Å; L387-L399 HydrophobicContact CG-CD2 4.44Å
388M97.8Very high93.3Very high53 Ų5359.2 Ų59.226%0.26134%0.338SS..EExtended strand (participates in β ladder)trans-117151.1-172.5-58.4-168.9-172.800111V365 C366 S386 A515 R518V365-M388 CarbonylContact C-O 3.53Å; V365-M388 WeakPolarHBondContact CA-O 3.4Å; C366-M388 PolarHBondContact N-O 3.46Å; C366-M388 PolarHBondContact O-N 2.62Å; S386-M388 WeakPolarHBondContact OG-CE 3.42Å; M388-A515 HydrophobicContact CB-CB 4.33Å; M388-A515 HydrophobicContact CG-CB 4.46Å; M388-A515 HydrophobicContact SD-CB 4Å; M388-R518 HydrophobicContact CE-CB 3.76Å; M388-R518 HydrophobicContact SD-CB 4.01Å
389G96Very high93.9Very high45 Ų4558.3 Ų58.346%0.46433%0.334SS..  trans87.917.2176.200000115.2
390L96.6Very high94.6Very high102 Ų10254.1 Ų54.153%0.53431%0.311SS..  trans-58.6138.5173.9-63.8177.3000111.7V365 L387 T394 L399V365-L390 HydrophobicContact CG1-CD2 4.1Å; V365-L390 HydrophobicContact CG2-CD2 4.07Å; L387-L390 HydrophobicContact CD2-CD1 4.21Å; L387-L390 HydrophobicContact CD2-CD2 3.88Å; L387-L390 HydrophobicContact CD2-CG 4.39Å; L387-L390 HydrophobicContact CG-CD2 4.21Å; L390-T394 HydrophobicContact CD2-CG2 3.88Å; L390-L399 HydrophobicContact CD2-CD2 3.66Å
391K95.9Very high95.2Very high100 Ų10054.5 Ų54.544%0.43531%0.312SS..  trans-124.8161.1174.5-60.3179.4-161.7157.30109.7D363 S393 T394D363-K391 WeakPolarHBondContact O-CE 2.91Å; D363-K391 PolarHBondContact O-NZ 3.27Å; D363-K391 IonicContact OD1-NZ 2.73Å; D363-K391 PolarHBondContact OD1-NZ 2.96Å; K391-S393 WeakPolarHBondContact CB-OG 3.35Å; K391-S393 PolarHBondContact O-N 3.18Å; K391-S393 VanDerWaalsContact O-N 3.1Å; K391-T394 PolarHBondContact N-OG1 3.06Å; K391-T394 VanDerWaalsContact O-CB 3.26Å; K391-T394 WeakPolarHBondContact O-CB 3.35Å; K391-T394 PolarHBondContact O-N 3.16Å; K391-T394 PolarHBondContact O-OG1 3.19Å; K391-T394 VanDerWaalsContact O-OG1 3.08Å
392P97Very high96Very high150 Ų15049.4 Ų49.497%0.97428%0.28SS*.THydrogen-bonded Turntrans-57.2-22.4171.1-25.935.7000114.3
393S95.7Very high96.6Very high67 Ų6745.6 Ų45.647%0.46927%0.266SS..THydrogen-bonded Turntrans-81.3-8.917549.30000114.6D363 K391 T395D363-S393 PolarHBondContact OD2-OG 3.23Å; K391-S393 WeakPolarHBondContact CB-OG 3.35Å; K391-S393 PolarHBondContact O-N 3.18Å; K391-S393 VanDerWaalsContact O-N 3.1Å; S393-T395 PolarHBondContact O-N 3.45Å
394T97.8Very high97Very high32 Ų3245.7 Ų45.720%0.19627%0.266CS..  trans-66.5130.5-175.2-60.20000110.9V365 L390 K391 H398 L399V365-T394 HydrophobicContact CG2-CG2 3.78Å; L390-T394 HydrophobicContact CD2-CG2 3.88Å; K391-T394 PolarHBondContact N-OG1 3.06Å; K391-T394 VanDerWaalsContact O-CB 3.26Å; K391-T394 WeakPolarHBondContact O-CB 3.35Å; K391-T394 PolarHBondContact O-N 3.16Å; K391-T394 PolarHBondContact O-OG1 3.19Å; K391-T394 VanDerWaalsContact O-OG1 3.08Å; T394-H398 HydrophobicContact CG2-CB 4.04Å; T394-L399 HydrophobicContact CG2-CD2 3.61Å; T394-L399 HydrophobicContact CG2-CG 4.05Å
395T97.6Very high97.2Very high64 Ų6445.4 Ų45.439%0.39326%0.263SS..  trans-113.6169.8-179.470.30000110.8S393 S397 H398 L399S393-T395 PolarHBondContact O-N 3.45Å; T395-S397 PolarHBondContact O-N 3.2Å; T395-S397 PolarHBondContact OG1-N 3.33Å; T395-H398 PolarHBondContact N-ND1 3.11Å; T395-H398 VanDerWaalsContact N-ND1 3.18Å; T395-H398 WeakPolarHBondContact O-CB 3.49Å; T395-H398 PolarHBondContact O-N 3.24Å; T395-H398 VanDerWaalsContact O-N 3.13Å; T395-H398 PolarHBondContact OG1-N 3.43Å; T395-H398 PolarHBondContact OG1-ND1 3.32Å; T395-L399 PolarHBondContact O-N 3.38Å; T395-L399 VanDerWaalsContact O-N 3.16Å
396K97.1Very high97.4Very high119 Ų11943.9 Ų43.952%0.51725%0.251SS..Hα-helixtrans-54.8-40172.5-70.8-168.9175.8-166.40112.1E344 L345 H398 L399 V400E344-K396 PolarHBondContact O-NZ 2.92Å; L345-K396 HydrophobicContact CD2-CG 4.47Å; K396-H398 PolarHBondContact O-N 3.04Å; K396-L399 PolarHBondContact O-N 3.41Å; K396-V400 WeakPolarHBondContact O-CG2 3.15Å; K396-V400 PolarHBondContact O-N 3.41Å
397S98.3Very high97.4Very high25 Ų2543.3 Ų43.318%0.17525%0.247CC..Hα-helixtrans-63.4-39.5177.5-62.30000112.7S358 T395 L399 V400 R401S358-S397 PolarHBondContact OG-OG 3.4Å; T395-S397 PolarHBondContact O-N 3.2Å; T395-S397 PolarHBondContact OG1-N 3.33Å; S397-L399 VanDerWaalsContact C-N 3.33Å; S397-L399 PolarHBondContact O-N 2.92Å; S397-V400 PolarHBondContact O-N 3.32Å; S397-R401 WeakPolarHBondContact O-CB 3.47Å; S397-R401 PolarHBondContact O-N 2.96Å
398H98.4Very high97.4Very high27 Ų2740.5 Ų40.513%0.12523%0.232CC..Hα-helixtrans-62.1-41.2174.4-62.6143.6000111.6D361 D363 T394 T395 K396 A402D361-H398 PolarHBondContact O-CD2 2.75Å; D363-H398 HydrophobicContact CB-CB 4.34Å; T394-H398 HydrophobicContact CG2-CB 4.04Å; T395-H398 PolarHBondContact N-ND1 3.11Å; T395-H398 VanDerWaalsContact N-ND1 3.18Å; T395-H398 WeakPolarHBondContact O-CB 3.49Å; T395-H398 PolarHBondContact O-N 3.24Å; T395-H398 VanDerWaalsContact O-N 3.13Å; T395-H398 PolarHBondContact OG1-N 3.43Å; T395-H398 PolarHBondContact OG1-ND1 3.32Å; K396-H398 PolarHBondContact O-N 3.04Å; H398-A402 WeakPolarHBondContact O-CB 3.32Å; H398-A402 PolarHBondContact O-N 2.72Å
399L98.4Very high97.4Very high30 Ų3038 Ų3816%0.15722%0.22CC..Hα-helixtrans-65.7-48.8177.2-61.2-174.7000112.2L345 V365 L387 L390 T394 T395 K396 S397 R401 A402 I403L345-L399 HydrophobicContact CD1-CB 4.17Å; L345-L399 HydrophobicContact CD2-CD1 4.02Å; V365-L399 HydrophobicContact CG1-CD2 4.01Å; L387-L399 HydrophobicContact CD1-CD2 4.27Å; L387-L399 HydrophobicContact CD2-CD2 3.83Å; L387-L399 HydrophobicContact CG-CD2 4.44Å; L390-L399 HydrophobicContact CD2-CD2 3.66Å; T394-L399 HydrophobicContact CG2-CD2 3.61Å; T394-L399 HydrophobicContact CG2-CG 4.05Å; T395-L399 PolarHBondContact O-N 3.38Å; T395-L399 VanDerWaalsContact O-N 3.16Å; K396-L399 PolarHBondContact O-N 3.41Å; S397-L399 VanDerWaalsContact C-N 3.33Å; S397-L399 PolarHBondContact O-N 2.92Å; L399-R401 VanDerWaalsContact C-N 3.29Å; L399-R401 PolarHBondContact O-N 3.46Å; L399-A402 PolarHBondContact O-N 3.25Å; L399-I403 VanDerWaalsContact O-CG1 3.31Å; L399-I403 WeakPolarHBondContact O-CG1 3.34Å; L399-I403 PolarHBondContact O-N 3.15Å
400V98.5Very high97.3Very high3 Ų336.2 Ų36.22%0.01820%0.199CC..Hα-helixtrans-59.2-44177.5171.20000110.4L345 F346 T352 M355 K396 S397 I403 L404L345-V400 HydrophobicContact CB-CG2 4Å; F346-V400 HydrophobicContact CD1-CG2 3.85Å; T352-V400 HydrophobicContact CG2-CG1 4.18Å; M355-V400 HydrophobicContact CB-CG1 4.19Å; M355-V400 HydrophobicContact CE-CB 4.26Å; M355-V400 HydrophobicContact CE-CG2 3.69Å; M355-V400 HydrophobicContact SD-CG1 4.4Å; M355-V400 HydrophobicContact SD-CG2 4.24Å; K396-V400 WeakPolarHBondContact O-CG2 3.15Å; K396-V400 PolarHBondContact O-N 3.41Å; S397-V400 PolarHBondContact O-N 3.32Å; V400-I403 PolarHBondContact O-N 3.45Å; V400-L404 HydrophobicContact CG1-CD1 4.16Å; V400-L404 WeakPolarHBondContact O-CG 3.38Å; V400-L404 PolarHBondContact O-N 3.2Å
401R98.2Very high97.3Very high16 Ų1631.3 Ų31.36%0.0617%0.174CC..Hα-helixtrans-60.3-48.2175.3-177.5166.1175.8154.6-11.7112.2A356 V359 S360 S397 L399 I403 L404 E405 F440A356-R401 HydrophobicContact CB-CB 4.12Å; A356-R401 HydrophobicContact CB-CG 4.24Å; A356-R401 WeakPolarHBondContact O-CD 3.22Å; A356-R401 PolarHBondContact O-NH1 2.9Å; V359-R401 HydrophobicContact CG2-CB 4.28Å; V359-R401 PolarHBondContact O-NH1 3.38Å; S360-R401 PolarHBondContact O-NH1 3.24Å; S360-R401 PolarHBondContact O-NH2 3.2Å; S397-R401 WeakPolarHBondContact O-CB 3.47Å; S397-R401 PolarHBondContact O-N 2.96Å; L399-R401 VanDerWaalsContact C-N 3.29Å; L399-R401 PolarHBondContact O-N 3.46Å; R401-I403 PolarHBondContact O-N 3.36Å; R401-L404 PolarHBondContact O-N 3Å; R401-L404 VanDerWaalsContact O-N 3.16Å; R401-E405 HydrophobicContact CG-CG 4Å; R401-E405 IonicContact CZ-OE1 3.56Å; R401-E405 IonicContact NE-OE1 2.78Å; R401-E405 PolarHBondContact NE-OE1 3.42Å; R401-E405 IonicContact NH2-OE1 3.45Å; R401-E405 PolarHBondContact NH2-OE1 2.88Å; R401-E405 WeakPolarHBondContact O-CB 3.22Å; R401-E405 WeakPolarHBondContact O-CG 3.48Å; R401-E405 PolarHBondContact O-N 2.81Å; R401-F440 HydrophobicContact CG-CE1 4.39Å; R401-F440 HydrophobicContact CG-CZ 3.88Å
402A98.1Very high97.2Very high2 Ų228 Ų282%0.01716%0.159CC..Hα-helixtrans-58.4-37.2179.100000112.6V365 F367 H398 L399 S406V365-A402 HydrophobicContact CB-CB 4.11Å; V365-A402 HydrophobicContact CG1-CB 3.93Å; V365-A402 WeakPolarHBondContact O-CB 3.3Å; F367-A402 HydrophobicContact CB-CB 4.38Å; H398-A402 WeakPolarHBondContact O-CB 3.32Å; H398-A402 PolarHBondContact O-N 2.72Å; L399-A402 PolarHBondContact O-N 3.25Å; A402-S406 WeakPolarHBondContact O-CB 3.48Å; A402-S406 PolarHBondContact O-N 3.16Å
403I98.2Very high97.1Very high6 Ų621.8 Ų21.83%0.03112%0.117CC..Hα-helixtrans-66.3-47.2176.5-66.7167000110.8A336 W339 A340 L345 F367 L399 V400 R401 S406 V407A336-I403 HydrophobicContact CB-CG2 4.34Å; W339-I403 HydrophobicContact CZ3-CD1 4.01Å; A340-I403 HydrophobicContact CB-CD1 3.71Å; L345-I403 HydrophobicContact CD1-CD1 3.88Å; F367-I403 HydrophobicContact CB-CG1 4.08Å; F367-I403 HydrophobicContact CD1-CB 4.08Å; F367-I403 HydrophobicContact CD1-CG1 3.7Å; F367-I403 HydrophobicContact CD1-CG2 4.16Å; F367-I403 HydrophobicContact CD2-CG1 4.3Å; F367-I403 HydrophobicContact CE1-CG1 4.14Å; F367-I403 HydrophobicContact CE1-CG2 4.17Å; F367-I403 HydrophobicContact CG-CG1 3.76Å; L399-I403 VanDerWaalsContact O-CG1 3.31Å; L399-I403 WeakPolarHBondContact O-CG1 3.34Å; L399-I403 PolarHBondContact O-N 3.15Å; V400-I403 PolarHBondContact O-N 3.45Å; R401-I403 PolarHBondContact O-N 3.36Å; I403-S406 WeakPolarHBondContact O-CB 3.39Å; I403-S406 PolarHBondContact O-N 3.41Å; I403-V407 PolarHBondContact O-N 3.46Å
404L98.1Very high97Very high3 Ų318.7 Ų18.72%0.01610%0.095CC..Hα-helixtrans-68.5-39.4178.6-64.6178.6000112.7I337 T352 A356 V400 R401 S406 V407 A408 N438 F440 V441I337-L404 HydrophobicContact CD1-CD2 4.09Å; I337-L404 HydrophobicContact CG1-CD2 4.41Å; T352-L404 WeakPolarHBondContact O-CD1 3.39Å; A356-L404 HydrophobicContact CB-CD1 3.97Å; V400-L404 HydrophobicContact CG1-CD1 4.16Å; V400-L404 WeakPolarHBondContact O-CG 3.38Å; V400-L404 PolarHBondContact O-N 3.2Å; R401-L404 PolarHBondContact O-N 3Å; R401-L404 VanDerWaalsContact O-N 3.16Å; L404-S406 VanDerWaalsContact C-N 3.27Å; L404-S406 PolarHBondContact O-N 2.85Å; L404-V407 WeakPolarHBondContact O-CB 3.44Å; L404-V407 PolarHBondContact O-N 3.25Å; L404-A408 PolarHBondContact O-N 3.48Å; L404-N438 WeakPolarHBondContact CD1-ND2 3.28Å; L404-F440 HydrophobicContact CB-CD1 3.83Å; L404-F440 HydrophobicContact CB-CE1 3.99Å; L404-F440 HydrophobicContact CD1-CD1 4.21Å; L404-V441 HydrophobicContact CB-CG2 3.89Å; L404-V441 HydrophobicContact CD2-CG2 3.76Å; L404-V441 HydrophobicContact CG-CG2 4.3Å
405E97.6Very high96.8Very high3 Ų317.5 Ų17.51%0.0149%0.087CC..Hα-helixtrans-57-44.2172.1-78.1-179.6169.200110.5S362 R401 V407 A408 F409 F440 L444S362-E405 WeakPolarHBondContact CB-OE2 2.92Å; S362-E405 PolarHBondContact OG-OE2 3.21Å; R401-E405 HydrophobicContact CG-CG 4Å; R401-E405 IonicContact CZ-OE1 3.56Å; R401-E405 IonicContact NE-OE1 2.78Å; R401-E405 PolarHBondContact NE-OE1 3.42Å; R401-E405 IonicContact NH2-OE1 3.45Å; R401-E405 PolarHBondContact NH2-OE1 2.88Å; R401-E405 WeakPolarHBondContact O-CB 3.22Å; R401-E405 WeakPolarHBondContact O-CG 3.48Å; R401-E405 PolarHBondContact O-N 2.81Å; E405-V407 VanDerWaalsContact C-N 3.27Å; E405-V407 PolarHBondContact O-N 2.88Å; E405-A408 PolarHBondContact O-N 3.39Å; E405-A408 VanDerWaalsContact O-N 3.1Å; E405-F409 HydrophobicContact CB-CD2 4.31Å; E405-F409 HydrophobicContact CB-CE2 3.7Å; E405-F409 HydrophobicContact CB-CZ 3.9Å; E405-F409 HydrophobicContact CG-CZ 4.38Å; E405-F409 WeakPolarHBondContact O-CD2 3.32Å; E405-F409 WeakPolarHBondContact O-CG 3.28Å; E405-F409 PolarHBondContact O-N 3.26Å; E405-F440 HydrophobicContact CG-CE1 3.88Å; E405-F440 HydrophobicContact CG-CZ 3.83Å; E405-L444 HydrophobicContact CB-CD2 4.25Å; E405-L444 HydrophobicContact CG-CD2 3.86Å
406S97Very high96.6Very high0 Ų017.6 Ų17.60%08%0.083CC..Hα-helixtrans-61.3-33.3178.3-171.50000113.6F367 P369 A402 I403 L404 F409 R410 W512F367-S406 WeakPolarHBondContact O-CB 3.42Å; F367-S406 PolarHBondContact O-OG 3.01Å; P369-S406 WeakPolarHBondContact CD-OG 3.2Å; A402-S406 WeakPolarHBondContact O-CB 3.48Å; A402-S406 PolarHBondContact O-N 3.16Å; I403-S406 WeakPolarHBondContact O-CB 3.39Å; I403-S406 PolarHBondContact O-N 3.41Å; L404-S406 VanDerWaalsContact C-N 3.27Å; L404-S406 PolarHBondContact O-N 2.85Å; S406-F409 PolarHBondContact O-N 3.1Å; S406-R410 WeakPolarHBondContact O-CG 3.26Å; S406-R410 PolarHBondContact O-N 3.33Å; S406-W512 PolarHBondContact OG-NE1 2.8Å
407V96.8Very high96.4Very high3 Ų312.4 Ų12.42%0.0186%0.061CC..Hα-helixtrans-62.6-48.4174.3173.80000109.8M289 T333 I403 L404 E405 F409 R410 N411 V435 V441M289-V407 HydrophobicContact SD-CG1 4.43Å; T333-V407 HydrophobicContact CG2-CG1 3.75Å; T333-V407 HydrophobicContact CG2-CG2 4.29Å; I403-V407 PolarHBondContact O-N 3.46Å; L404-V407 WeakPolarHBondContact O-CB 3.44Å; L404-V407 PolarHBondContact O-N 3.25Å; E405-V407 VanDerWaalsContact C-N 3.27Å; E405-V407 PolarHBondContact O-N 2.88Å; V407-F409 VanDerWaalsContact C-N 3.33Å; V407-F409 PolarHBondContact O-N 3.22Å; V407-R410 PolarHBondContact O-N 3.4Å; V407-N411 VanDerWaalsContact O-CG 3.26Å; V407-N411 PolarHBondContact O-N 3.12Å; V407-N411 PolarHBondContact O-OD1 2.89Å; V407-V435 HydrophobicContact CG1-CG1 4.38Å; V407-V441 HydrophobicContact CB-CG1 4.4Å; V407-V441 HydrophobicContact CG1-CG1 3.86Å
408A96.6Very high96.1Very high0 Ų011.2 Ų11.20%05%0.053CC..Hα-helixtrans-64.7-35.9177.900000112.6L404 E405 N411 K412 L444 L448L404-A408 PolarHBondContact O-N 3.48Å; E405-A408 PolarHBondContact O-N 3.39Å; E405-A408 VanDerWaalsContact O-N 3.1Å; A408-N411 WeakPolarHBondContact O-CB 3.45Å; A408-N411 PolarHBondContact O-N 3.16Å; A408-K412 WeakPolarHBondContact O-CB 3.49Å; A408-K412 PolarHBondContact O-N 2.94Å; A408-L444 HydrophobicContact CB-CB 4.07Å; A408-L444 HydrophobicContact CB-CD2 3.64Å; A408-L444 HydrophobicContact CB-CG 3.66Å; A408-L448 HydrophobicContact CB-CD1 3.99Å
409F96.5Very high95.8Very high2 Ų212.5 Ų12.51%0.0096%0.061CC..Hα-helixtrans-67.8-38.3175.6-60.2-27.3000112.6E405 S406 V407 K412 Q413 L444 L448 V508 L509 W512E405-F409 HydrophobicContact CB-CD2 4.31Å; E405-F409 HydrophobicContact CB-CE2 3.7Å; E405-F409 HydrophobicContact CB-CZ 3.9Å; E405-F409 HydrophobicContact CG-CZ 4.38Å; E405-F409 WeakPolarHBondContact O-CD2 3.32Å; E405-F409 WeakPolarHBondContact O-CG 3.28Å; E405-F409 PolarHBondContact O-N 3.26Å; S406-F409 PolarHBondContact O-N 3.1Å; V407-F409 VanDerWaalsContact C-N 3.33Å; V407-F409 PolarHBondContact O-N 3.22Å; F409-K412 WeakPolarHBondContact O-CB 3.48Å; F409-K412 PolarHBondContact O-N 3.05Å; F409-Q413 PolarHBondContact O-N 3.37Å; F409-L444 HydrophobicContact CE1-CD2 4.42Å; F409-L448 HydrophobicContact CD1-CD1 3.65Å; F409-L448 HydrophobicContact CE1-CD1 3.97Å; F409-L448 HydrophobicContact CE1-CD2 4.42Å; F409-V508 HydrophobicContact CE2-CG1 4.11Å; F409-V508 HydrophobicContact CZ-CB 4.37Å; F409-V508 HydrophobicContact CZ-CG1 3.77Å; F409-L509 HydrophobicContact CB-CD1 3.77Å; F409-L509 HydrophobicContact CD1-CB 4.5Å; F409-L509 HydrophobicContact CD1-CD1 3.62Å; F409-L509 HydrophobicContact CD2-CD1 4.42Å; F409-L509 HydrophobicContact CE1-CB 4.38Å; F409-L509 HydrophobicContact CE1-CD1 4.32Å; F409-L509 HydrophobicContact CG-CD1 3.69Å; F409-W512 HydrophobicContact CB-CD2 3.8Å; F409-W512 HydrophobicContact CB-CE3 3.73Å; F409-W512 HydrophobicContact CB-CG 4.49Å; F409-W512 HydrophobicContact CB-CH2 3.88Å; F409-W512 HydrophobicContact CB-CZ2 3.97Å; F409-W512 HydrophobicContact CB-CZ3 3.77Å; F409-W512 HydrophobicContact CD2-CB 3.79Å; F409-W512 AromaticContact CD2-CD1 3.69Å; F409-W512 AromaticContact CD2-CD2 3.65Å; F409-W512 HydrophobicContact CD2-CD2 3.65Å; F409-W512 HydrophobicContact CD2-CE3 4.21Å; F409-W512 AromaticContact CD2-CG 3.42Å; F409-W512 HydrophobicContact CD2-CG 3.42Å; F409-W512 VanDerWaalsContact CD2-CG 3.42Å; F409-W512 HydrophobicContact CE2-CB 3.94Å; F409-W512 HydrophobicContact CE2-CG 4.02Å; F409-W512 HydrophobicContact CG-CD2 4.12Å; F409-W512 HydrophobicContact CG-CE3 4.26Å; F409-W512 HydrophobicContact CG-CG 4.32Å
410R95.4Very high95.5Very high6 Ų619.8 Ų19.82%0.0239%0.086CC..Hα-helixtrans-64.1-41.5170.9-71-60.2-62.1164.64.2111.7A330 P369 A376 S406 V407 K412 Q413 L414 W512A330-R410 HydrophobicContact CB-CB 4.45Å; P369-R410 HydrophobicContact CG-CG 4.21Å; A376-R410 PolarHBondContact O-NH2 3.31Å; S406-R410 WeakPolarHBondContact O-CG 3.26Å; S406-R410 PolarHBondContact O-N 3.33Å; V407-R410 PolarHBondContact O-N 3.4Å; R410-K412 VanDerWaalsContact C-N 3.28Å; R410-K412 PolarHBondContact O-N 3.47Å; R410-Q413 PolarHBondContact O-N 2.85Å; R410-L414 PolarHBondContact O-N 3.43Å; R410-L414 VanDerWaalsContact O-N 3.08Å; R410-W512 HydrophobicContact CG-CH2 4.11Å; R410-W512 HydrophobicContact CG-CZ2 3.94Å
411N95.4Very high95Very high0 Ų020.6 Ų20.60%09%0.089CC..Hα-helixtrans-57.4-43.6172.7-66.4-11.3000111.2M289 T293 M295 V407 A408 L414 Y415 T445 F449M289-N411 PolarHBondContact SD-ND2 3.49Å; M289-N411 VanDerWaalsContact SD-ND2 3.45Å; T293-N411 WeakPolarHBondContact CG2-OD1 3.38Å; M295-N411 HydrophobicContact CE-CB 4.48Å; M295-N411 WeakPolarHBondContact CE-O 3.43Å; V407-N411 VanDerWaalsContact O-CG 3.26Å; V407-N411 PolarHBondContact O-N 3.12Å; V407-N411 PolarHBondContact O-OD1 2.89Å; A408-N411 WeakPolarHBondContact O-CB 3.45Å; A408-N411 PolarHBondContact O-N 3.16Å; N411-L414 PolarHBondContact O-N 2.88Å; N411-Y415 VanDerWaalsContact O-CB 3.29Å; N411-Y415 WeakPolarHBondContact O-CB 3.47Å; N411-Y415 PolarHBondContact O-N 3.46Å; N411-T445 HydrophobicContact CB-CG2 4.32Å; N411-T445 PolarHBondContact ND2-OG1 3.13Å; N411-F449 HydrophobicContact CB-CE1 4.24Å; N411-F449 HydrophobicContact CB-CZ 4.03Å
412K94.9Very high94.7Very high31 Ų3120.6 Ų20.614%0.1359%0.091CC..Hα-helixtrans-61.3-44177178.558.5166.9170.50112.7A408 F409 R410 L414 Y415 E416 L448 F449 L509A408-K412 WeakPolarHBondContact O-CB 3.49Å; A408-K412 PolarHBondContact O-N 2.94Å; F409-K412 WeakPolarHBondContact O-CB 3.48Å; F409-K412 PolarHBondContact O-N 3.05Å; R410-K412 VanDerWaalsContact C-N 3.28Å; R410-K412 PolarHBondContact O-N 3.47Å; K412-L414 PolarHBondContact O-N 3.25Å; K412-Y415 HydrophobicContact CD-CD1 4.45Å; K412-Y415 PolarHBondContact O-N 2.98Å; K412-E416 HydrophobicContact CD-CG 4.1Å; K412-E416 WeakPolarHBondContact CE-OE1 3.47Å; K412-E416 IonicContact NZ-OE1 3.11Å; K412-E416 PolarHBondContact NZ-OE1 3.47Å; K412-E416 WeakPolarHBondContact O-CG 3.5Å; K412-E416 PolarHBondContact O-N 2.95Å; K412-L448 HydrophobicContact CB-CB 4.37Å; K412-L448 HydrophobicContact CB-CD1 4.25Å; K412-L448 HydrophobicContact CD-CB 4.13Å; K412-L448 WeakPolarHBondContact CD-O 3.43Å; K412-L448 WeakPolarHBondContact CE-O 3.47Å; K412-L448 HydrophobicContact CG-CB 4.35Å; K412-L448 PolarHBondContact NZ-O 3.35Å; K412-F449 HydrophobicContact CB-CE1 4.43Å; K412-F449 HydrophobicContact CD-CD1 4.27Å; K412-L509 HydrophobicContact CG-CD2 4.19Å
413Q93.6Very high94.4Very high19 Ų1929.9 Ų29.99%0.08913%0.126CC..Hα-helixtrans-62.5-42176.3-73.1-172.9-40.900112.5F409 R410 T417 W512F409-Q413 PolarHBondContact O-N 3.37Å; R410-Q413 PolarHBondContact O-N 2.85Å; Q413-T417 WeakPolarHBondContact O-CB 3.33Å; Q413-T417 PolarHBondContact O-N 3.19Å; Q413-T417 PolarHBondContact O-OG1 3.29Å; Q413-W512 HydrophobicContact CG-CH2 4.46Å; Q413-W512 HydrophobicContact CG-CZ3 4.16Å; Q413-W512 VanDerWaalsContact OE1-CH2 3.27Å
414L93.9Very high94.2Very high2 Ų230.9 Ų30.91%0.0113%0.131CC..Hα-helixtrans-64.4-45.8175.2-70.1179.4000111.6T293 M295 A330 A376 R410 N411 K412 E416 T417 M418T293-L414 HydrophobicContact CG2-CD1 4.27Å; M295-L414 HydrophobicContact CB-CD1 4.37Å; M295-L414 HydrophobicContact CE-CB 3.87Å; M295-L414 HydrophobicContact SD-CB 3.94Å; A330-L414 HydrophobicContact CB-CD1 3.89Å; A376-L414 HydrophobicContact CB-CD2 4.33Å; R410-L414 PolarHBondContact O-N 3.43Å; R410-L414 VanDerWaalsContact O-N 3.08Å; N411-L414 PolarHBondContact O-N 2.88Å; K412-L414 PolarHBondContact O-N 3.25Å; L414-E416 PolarHBondContact O-N 2.9Å; L414-T417 WeakPolarHBondContact O-CB 3.08Å; L414-T417 PolarHBondContact O-N 3.44Å; L414-M418 WeakPolarHBondContact O-CB 3.32Å; L414-M418 PolarHBondContact O-N 2.84Å
415Y94.6Very high93.9Very high7 Ų735.6 Ų35.63%0.02716%0.162CC..Hα-helixtrans-59.1-44.3178.2172.8-96.1000112.6N411 K412 M418 L419 I426 I429 F449 R451N411-Y415 VanDerWaalsContact O-CB 3.29Å; N411-Y415 WeakPolarHBondContact O-CB 3.47Å; N411-Y415 PolarHBondContact O-N 3.46Å; K412-Y415 HydrophobicContact CD-CD1 4.45Å; K412-Y415 PolarHBondContact O-N 2.98Å; Y415-M418 WeakPolarHBondContact O-CB 3.18Å; Y415-M418 PolarHBondContact O-N 3.19Å; Y415-L419 HydrophobicContact CD1-CD1 4.03Å; Y415-L419 HydrophobicContact CE1-CD1 3.41Å; Y415-L419 VanDerWaalsContact CE1-CD1 3.41Å; Y415-L419 HydrophobicContact CE1-CG 4.35Å; Y415-L419 HydrophobicContact CE2-CD1 4.33Å; Y415-L419 WeakPolarHBondContact O-CG 3.3Å; Y415-L419 PolarHBondContact O-N 3.18Å; Y415-I426 HydrophobicContact CD2-CD1 3.59Å; Y415-I426 HydrophobicContact CE2-CD1 3.18Å; Y415-I426 HydrophobicContact CE2-CG1 4.44Å; Y415-I429 HydrophobicContact CE2-CD1 4.07Å; Y415-F449 VanDerWaalsContact CB-CE1 3.5Å; Y415-F449 AromaticContact CD1-CD1 3.86Å; Y415-F449 HydrophobicContact CD1-CD1 3.86Å; Y415-F449 HydrophobicContact CD1-CE1 4.22Å; Y415-F449 HydrophobicContact CD1-CG 4.23Å; Y415-F449 HydrophobicContact CD2-CD1 4.17Å; Y415-F449 AromaticContact CD2-CD2 3.9Å; Y415-F449 HydrophobicContact CD2-CD2 3.9Å; Y415-F449 HydrophobicContact CD2-CE1 4.21Å; Y415-F449 AromaticContact CD2-CE2 3.9Å; Y415-F449 HydrophobicContact CD2-CE2 3.9Å; Y415-F449 HydrophobicContact CD2-CG 4.02Å; Y415-F449 HydrophobicContact CD2-CZ 4.05Å; Y415-F449 HydrophobicContact CE1-CB 4.3Å; Y415-F449 HydrophobicContact CE1-CD1 4.32Å; Y415-F449 HydrophobicContact CE1-CG 4.32Å; Y415-F449 HydrophobicContact CE2-CB 4.35Å; Y415-F449 HydrophobicContact CE2-CD2 4.06Å; Y415-F449 HydrophobicContact CE2-CE2 4.48Å; Y415-F449 HydrophobicContact CE2-CG 4.09Å; Y415-F449 AromaticContact CG-CD1 3.77Å; Y415-F449 HydrophobicContact CG-CD1 3.77Å; Y415-F449 HydrophobicContact CG-CD2 4.33Å; Y415-F449 AromaticContact CG-CE1 3.74Å; Y415-F449 HydrophobicContact CG-CE1 3.74Å; Y415-F449 HydrophobicContact CG-CE2 4.27Å; Y415-F449 HydrophobicContact CG-CG 4.07Å; Y415-F449 AromaticContact CG-CZ 3.97Å; Y415-F449 HydrophobicContact CG-CZ 3.97Å; Y415-F449 PolarHBondContact OH-O 2.94Å; Y415-R451 WeakPolarHBondContact OH-CD 3.47Å; Y415-R451 PolarHBondContact OH-NE 3.48Å
416E93.2Very high93.8Very high66 Ų6635.8 Ų35.831%0.30816%0.163SC..Hα-helixtrans-69.5-36.5177.5-72.3-173.5165.200113K412 L414 M418 R420K412-E416 HydrophobicContact CD-CG 4.1Å; K412-E416 WeakPolarHBondContact CE-OE1 3.47Å; K412-E416 IonicContact NZ-OE1 3.11Å; K412-E416 PolarHBondContact NZ-OE1 3.47Å; K412-E416 WeakPolarHBondContact O-CG 3.5Å; K412-E416 PolarHBondContact O-N 2.95Å; L414-E416 PolarHBondContact O-N 2.9Å; E416-M418 VanDerWaalsContact C-N 3.32Å; E416-R420 VanDerWaalsContact O-CB 3.26Å; E416-R420 WeakPolarHBondContact O-CB 3.4Å; E416-R420 PolarHBondContact O-N 3.24Å
417T92.1Very high93.5Very high9 Ų940.2 Ų40.26%0.05519%0.19CC..Hα-helixtrans-60.9-47.8173.2-57.60000109.5A308 P377 Q413 L414 L419 R420 E421A308-T417 HydrophobicContact CB-CG2 4.29Å; P377-T417 HydrophobicContact CB-CG2 4.17Å; P377-T417 WeakPolarHBondContact CB-OG1 3.2Å; P377-T417 WeakPolarHBondContact CG-OG1 3.34Å; Q413-T417 WeakPolarHBondContact O-CB 3.33Å; Q413-T417 PolarHBondContact O-N 3.19Å; Q413-T417 PolarHBondContact O-OG1 3.29Å; L414-T417 WeakPolarHBondContact O-CB 3.08Å; L414-T417 PolarHBondContact O-N 3.44Å; T417-L419 PolarHBondContact O-N 2.89Å; T417-R420 PolarHBondContact O-N 3Å; T417-E421 WeakPolarHBondContact O-CB 3.32Å; T417-E421 PolarHBondContact O-N 3.49Å
418M93Very high93.4Very high0 Ų042.3 Ų42.30%020%0.199CC..Hα-helixtrans-58-49178.2-180177.6-78.700113.1V285 M295 I297 L310 L414 Y415 E416 R420 T422 I426V285-M418 HydrophobicContact CG2-SD 3.98Å; M295-M418 HydrophobicContact CB-CE 4.31Å; M295-M418 HydrophobicContact CG-CE 3.56Å; M295-M418 HydrophobicContact CG-SD 4.17Å; M295-M418 VanDerWaalsContact O-CE 3.28Å; M295-M418 WeakPolarHBondContact O-CE 3.41Å; M295-M418 HydrophobicContact SD-CE 4.01Å; M295-M418 HydrophobicContact SD-SD 4.08Å; I297-M418 HydrophobicContact CB-CE 3.75Å; I297-M418 HydrophobicContact CB-CG 4.25Å; I297-M418 HydrophobicContact CB-SD 3.53Å; I297-M418 VanDerWaalsContact CB-SD 3.53Å; I297-M418 HydrophobicContact CD1-CG 4.04Å; I297-M418 HydrophobicContact CD1-SD 3.96Å; I297-M418 HydrophobicContact CG1-SD 4.28Å; I297-M418 HydrophobicContact CG2-CE 3.61Å; I297-M418 HydrophobicContact CG2-CG 3.87Å; I297-M418 HydrophobicContact CG2-SD 3.73Å; L310-M418 HydrophobicContact CD2-CE 4.47Å; L414-M418 WeakPolarHBondContact O-CB 3.32Å; L414-M418 PolarHBondContact O-N 2.84Å; Y415-M418 WeakPolarHBondContact O-CB 3.18Å; Y415-M418 PolarHBondContact O-N 3.19Å; E416-M418 VanDerWaalsContact C-N 3.32Å; M418-R420 PolarHBondContact O-N 3.35Å; M418-T422 HydrophobicContact CG-CG2 4.3Å; M418-T422 WeakPolarHBondContact O-CB 3.35Å; M418-T422 WeakPolarHBondContact O-CG2 3.18Å; M418-T422 PolarHBondContact O-N 3.24Å; M418-T422 PolarHBondContact O-OG1 3.04Å; M418-I426 HydrophobicContact SD-CD1 4.48Å
419L92.3Very high93.4Very high55 Ų5542.4 Ų42.429%0.28820%0.199SC..Hα-helixtrans-60.9-44.8176.9-76.2177.5000112.3Y415 T417 R423 I426Y415-L419 HydrophobicContact CD1-CD1 4.03Å; Y415-L419 HydrophobicContact CE1-CD1 3.41Å; Y415-L419 VanDerWaalsContact CE1-CD1 3.41Å; Y415-L419 HydrophobicContact CE1-CG 4.35Å; Y415-L419 HydrophobicContact CE2-CD1 4.33Å; Y415-L419 WeakPolarHBondContact O-CG 3.3Å; Y415-L419 PolarHBondContact O-N 3.18Å; T417-L419 PolarHBondContact O-N 2.89Å; L419-R423 WeakPolarHBondContact O-CA 3.21Å; L419-R423 PolarHBondContact O-N 3.08Å; L419-R423 VanDerWaalsContact O-N 3.1Å; L419-I426 HydrophobicContact CD2-CD1 3.56Å; L419-I426 HydrophobicContact CD2-CG1 3.8Å; L419-I426 HydrophobicContact CG-CD1 3.93Å
420R91.2Very high93.4Very high183 Ų18343.4 Ų43.469%0.69120%0.203SC*.Hα-helixtrans-67.5-39.3-176.4-164.1-172.2-51.5172.74.9111.8E416 T417 M418E416-R420 VanDerWaalsContact O-CB 3.26Å; E416-R420 WeakPolarHBondContact O-CB 3.4Å; E416-R420 PolarHBondContact O-N 3.24Å; T417-R420 PolarHBondContact O-N 3Å; M418-R420 PolarHBondContact O-N 3.35Å
421E89.1Confident93.4Very high19 Ų1943.1 Ų43.19%0.08920%0.202CC..Hα-helixtrans-83-50-173.6-161.2177.4-174.200112.3H304 S306 V307 A308 L310 T417H304-E421 PolarHBondContact CE1-O 3.38Å; H304-E421 WeakPolarHBondContact NE2-CG 3.34Å; H304-E421 IonicContact NE2-OE1 2.64Å; S306-E421 WeakPolarHBondContact CA-OE1 3.37Å; S306-E421 WeakPolarHBondContact CB-OE1 3.46Å; S306-E421 PolarHBondContact OG-OE1 3.26Å; V307-E421 PolarHBondContact N-OE1 2.92Å; A308-E421 HydrophobicContact CB-CG 4.14Å; A308-E421 WeakPolarHBondContact CB-OE2 2.93Å; A308-E421 PolarHBondContact N-OE1 2.73Å; L310-E421 HydrophobicContact CD1-CB 4.21Å; L310-E421 HydrophobicContact CD1-CG 4.47Å; L310-E421 WeakPolarHBondContact CD1-OE2 3.36Å; L310-E421 WeakPolarHBondContact CG-OE2 3.04Å; T417-E421 WeakPolarHBondContact O-CB 3.32Å; T417-E421 PolarHBondContact O-N 3.49Å
422T91.6Very high93.2Very high16 Ų1643.6 Ų43.610%0.09821%0.205CC..Hα-helixtrans-76.3-32.8-177.367.80000112.5I297 L310 A326 M418 I424I297-T422 HydrophobicContact CG2-CG2 4.09Å; L310-T422 HydrophobicContact CD1-CG2 3.7Å; A326-T422 HydrophobicContact CB-CG2 4.48Å; M418-T422 HydrophobicContact CG-CG2 4.3Å; M418-T422 WeakPolarHBondContact O-CB 3.35Å; M418-T422 WeakPolarHBondContact O-CG2 3.18Å; M418-T422 PolarHBondContact O-N 3.24Å; M418-T422 PolarHBondContact O-OG1 3.04Å; T422-I424 PolarHBondContact O-N 2.68Å; T422-I424 PolarHBondContact OG1-N 2.86Å
423R91.3Very high92.8Very high197 Ų19743.2 Ų43.274%0.74321%0.21SC*.  trans55.422.5-169.4-52.4-178.5-178.3177.7-3.2113.4L419L419-R423 WeakPolarHBondContact O-CA 3.21Å; L419-R423 PolarHBondContact O-N 3.08Å; L419-R423 VanDerWaalsContact O-N 3.1Å
424I93.6Very high92.6Very high28 Ų2845.1 Ų45.114%0.14423%0.234CC..PPolyproline II helixtrans-91.2127.4176.6-64.5173.3000108.1V282 G283 I297 T299 T422 I426V282-I424 HydrophobicContact CG1-CD1 4.17Å; V282-I424 HydrophobicContact CG1-CG2 3.67Å; G283-I424 VanDerWaalsContact CA-CG2 3.5Å; I297-I424 HydrophobicContact CD1-CB 4.11Å; I297-I424 HydrophobicContact CD1-CG2 4.12Å; T299-I424 HydrophobicContact CG2-CD1 3.98Å; T422-I424 PolarHBondContact O-N 2.68Å; T422-I424 PolarHBondContact OG1-N 2.86Å; I424-I426 PolarHBondContact O-N 2.78Å
425P92.6Very high92.5Very high101 Ų10145.6 Ų45.666%0.65624%0.237SC*.PPolyproline II helixtrans-63.5128.7172.4-20.832.9000111G283 T427G283-P425 WeakPolarHBondContact CA-O 3.49Å; P425-T427 PolarHBondContact O-N 3.46Å
426I94.2Very high92.4Very high7 Ų745.5 Ų45.54%0.03624%0.237CC..PPolyproline II helixtrans-78.8121177.1-66.3171.1000109.8G283 V285 I297 Y415 M418 L419 I424 I429G283-I426 WeakPolarHBondContact O-CA 3.42Å; V285-I426 HydrophobicContact CB-CG2 4.41Å; V285-I426 HydrophobicContact CG2-CB 4.47Å; V285-I426 HydrophobicContact CG2-CD1 4.04Å; V285-I426 HydrophobicContact CG2-CG1 3.88Å; V285-I426 HydrophobicContact CG2-CG2 3.86Å; I297-I426 HydrophobicContact CD1-CG1 4.22Å; Y415-I426 HydrophobicContact CD2-CD1 3.59Å; Y415-I426 HydrophobicContact CE2-CD1 3.18Å; Y415-I426 HydrophobicContact CE2-CG1 4.44Å; M418-I426 HydrophobicContact SD-CD1 4.48Å; L419-I426 HydrophobicContact CD2-CD1 3.56Å; L419-I426 HydrophobicContact CD2-CG1 3.8Å; L419-I426 HydrophobicContact CG-CD1 3.93Å; I424-I426 PolarHBondContact O-N 2.78Å; I426-I429 HydrophobicContact CG2-CD1 3.94Å; I426-I429 HydrophobicContact CG2-CG1 3.62Å
427T91.9Very high92.4Very high93 Ų9344.8 Ų44.857%0.57124%0.24SC*.  trans-96.5-34.9-174.747.90000112.5G283 D284 P425G283-T427 PolarHBondContact O-N 3.07Å; G283-T427 VanDerWaalsContact O-N 3.09Å; G283-T427 PolarHBondContact O-OG1 2.97Å; D284-T427 PolarHBondContact N-OG1 3.22Å; D284-T427 PolarHBondContact OD1-OG1 2.93Å; P425-T427 PolarHBondContact O-N 3.46Å
428K94.3Very high92.6Very high47 Ų4744.8 Ų44.820%0.20424%0.24CC..EExtended strand (participates in β ladder)trans-151.9141.8-170.9-171.2-170.3-61.2151.80109.4C278 D284 V285 R430C278-K428 PolarHBondContact O-NZ 2.83Å; D284-K428 HydrophobicContact CB-CB 4.46Å; D284-K428 WeakPolarHBondContact OD1-CB 3.44Å; D284-K428 IonicContact OD1-NZ 2.97Å; D284-K428 PolarHBondContact OD1-NZ 3Å; D284-K428 IonicContact OD2-NZ 2.72Å; D284-K428 PolarHBondContact OD2-NZ 3.45Å; V285-K428 PolarHBondContact N-O 3.17Å; K428-R430 HydrophobicContact CD-CG 4.27Å; K428-R430 HydrophobicContact CG-CG 4.4Å
429I97.3Very high92.8Very high2 Ų247.1 Ų47.11%0.0125%0.252CS..EExtended strand (participates in β ladder)trans-129.1115.6175-52.5-179.2000108.8V285 I287 Y415 I426 F449 R451 V453 I454V285-I429 HydrophobicContact CB-CG1 4.39Å; V285-I429 HydrophobicContact CG1-CG2 4.49Å; V285-I429 WeakPolarHBondContact O-CA 3.49Å; I287-I429 HydrophobicContact CD1-CG2 3.77Å; I287-I429 HydrophobicContact CG1-CG2 4.27Å; Y415-I429 HydrophobicContact CE2-CD1 4.07Å; I426-I429 HydrophobicContact CG2-CD1 3.94Å; I426-I429 HydrophobicContact CG2-CG1 3.62Å; I429-F449 HydrophobicContact CD1-CD2 3.53Å; I429-F449 HydrophobicContact CD1-CE2 4.06Å; I429-F449 HydrophobicContact CG2-CE2 4.45Å; I429-R451 HydrophobicContact CD1-CB 4.02Å; I429-V453 HydrophobicContact CB-CG2 4.39Å; I429-V453 HydrophobicContact CG2-CG1 4.4Å; I429-V453 HydrophobicContact CG2-CG2 4.14Å; I429-I454 PolarHBondContact O-N 2.85Å
430R96.3Very high93.1Very high23 Ų2344.6 Ų44.69%0.08724%0.239CC..EExtended strand (participates in β ladder)trans-106.9148.9173.6-64.1-65.1-166.6166.71.7109.9E277 V285 K286 I287 K428 I454E277-R430 HydrophobicContact CB-CB 4.16Å; E277-R430 HydrophobicContact CB-CG 4.13Å; E277-R430 HydrophobicContact CG-CB 4Å; E277-R430 HydrophobicContact CG-CG 4.39Å; E277-R430 VanDerWaalsContact OE2-CD 3.28Å; E277-R430 WeakPolarHBondContact OE2-CD 3.38Å; E277-R430 WeakPolarHBondContact OE2-CG 3.42Å; E277-R430 IonicContact OE2-NE 3.64Å; V285-R430 PolarHBondContact O-N 2.78Å; K286-R430 CarbonylContact C-O 3.58Å; K286-R430 WeakPolarHBondContact CA-O 3.31Å; I287-R430 PolarHBondContact N-O 3.18Å; K428-R430 HydrophobicContact CD-CG 4.27Å; K428-R430 HydrophobicContact CG-CG 4.4Å; R430-I454 WeakPolarHBondContact CA-O 3.5Å
431V95.3Very high93.4Very high0 Ų035.9 Ų35.90%021%0.206CC..EExtended strand (participates in β ladder)trans-134.4138.1-179.8-62.10000110.5I287 M289 L442 V453 I454 R455 P456I287-V431 HydrophobicContact CB-CG1 4.14Å; I287-V431 HydrophobicContact CD1-CG1 4.31Å; I287-V431 HydrophobicContact CG1-CG1 4.48Å; I287-V431 VanDerWaalsContact O-CA 3.32Å; I287-V431 WeakPolarHBondContact O-CA 3.41Å; M289-V431 HydrophobicContact CE-CB 4.06Å; M289-V431 HydrophobicContact CE-CG1 4.19Å; V431-L442 HydrophobicContact CB-CD2 4.15Å; V431-L442 HydrophobicContact CG1-CD2 4.17Å; V431-L442 HydrophobicContact CG2-CD1 3.76Å; V431-L442 HydrophobicContact CG2-CD2 3.76Å; V431-L442 HydrophobicContact CG2-CG 4.45Å; V431-V453 HydrophobicContact CB-CG1 4.33Å; V431-V453 HydrophobicContact CG1-CG1 3.37Å; V431-V453 HydrophobicContact CG2-CG1 3.94Å; V431-I454 PolarHBondContact N-O 2.91Å; V431-I454 VanDerWaalsContact N-O 3.16Å; V431-R455 HydrophobicContact CG2-CB 3.9Å; V431-R455 HydrophobicContact CG2-CG 4.37Å; V431-P456 WeakPolarHBondContact O-CD 3.48Å
432D91.5Very high93.8Very high10 Ų1035 Ų355%0.05320%0.202CC..EExtended strand (participates in β ladder)trans-142.6-175.5175.163.651.6000111K286 I287 T288 M289 S436 M461K286-D432 WeakPolarHBondContact CD-OD2 3.21Å; I287-D432 PolarHBondContact O-N 2.75Å; T288-D432 WeakPolarHBondContact CA-OD1 3.48Å; T288-D432 WeakPolarHBondContact CB-OD1 3.43Å; T288-D432 WeakPolarHBondContact CG2-OD1 3.49Å; T288-D432 PolarHBondContact OG1-OD1 3.43Å; T288-D432 PolarHBondContact OG1-OD2 3.28Å; M289-D432 PolarHBondContact N-O 2.86Å; D432-S436 WeakPolarHBondContact O-CB 3.5Å; D432-M461 HydrophobicContact CB-CG 4.43Å
433G87.1Confident94Very high24 Ų2435 Ų3525%0.24720%0.201CC..SBendtrans87.6165.1-176.700000114M289 V435 S436M289-G433 CarbonylContact O-C 3.52Å; M289-G433 VanDerWaalsContact O-C 3.3Å; G433-V435 PolarHBondContact O-N 3.26Å; G433-S436 WeakPolarHBondContact O-CB 3.46Å; G433-S436 PolarHBondContact O-N 3.01Å; G433-S436 PolarHBondContact O-OG 3.47Å
434G88.2Confident94.2Very high58 Ų5825.8 Ų25.860%0.59817%0.166SC*.G310 helixtrans-60.4-39.2-170.100000114.2M289 S436 S437M289-G434 PolarHBondContact O-N 2.95Å; G434-S436 VanDerWaalsContact C-N 3.27Å; G434-S436 PolarHBondContact O-N 2.98Å; G434-S437 WeakPolarHBondContact O-CB 3.35Å; G434-S437 PolarHBondContact O-N 3.32Å; G434-S437 PolarHBondContact O-OG 3.02Å
435V92.1Very high94.4Very high13 Ų1324.5 Ų24.58%0.07916%0.159CC..G310 helixtrans-70.9-25.2-178.3179.50000111.9M289 T333 I337 V407 G433 S437 N438M289-V435 HydrophobicContact CB-CB 3.82Å; M289-V435 HydrophobicContact CB-CG1 4.41Å; M289-V435 PolarHBondContact O-N 2.9Å; T333-V435 HydrophobicContact CG2-CB 4.33Å; T333-V435 HydrophobicContact CG2-CG1 4.21Å; T333-V435 HydrophobicContact CG2-CG2 4.1Å; I337-V435 HydrophobicContact CD1-CB 4.19Å; I337-V435 HydrophobicContact CD1-CG1 3.54Å; I337-V435 HydrophobicContact CD1-CG2 3.7Å; V407-V435 HydrophobicContact CG1-CG1 4.38Å; G433-V435 PolarHBondContact O-N 3.26Å; V435-S437 PolarHBondContact O-N 2.79Å; V435-N438 WeakPolarHBondContact O-CB 3.34Å; V435-N438 PolarHBondContact O-N 3.22Å
436S92.9Very high94.5Very high4 Ų419.7 Ų19.73%0.02813%0.128CC..G310 helixtrans-62-14174.478.90000113.3D432 G433 G434 N438 L442 R455D432-S436 WeakPolarHBondContact O-CB 3.5Å; G433-S436 WeakPolarHBondContact O-CB 3.46Å; G433-S436 PolarHBondContact O-N 3.01Å; G433-S436 PolarHBondContact O-OG 3.47Å; G434-S436 VanDerWaalsContact C-N 3.27Å; G434-S436 PolarHBondContact O-N 2.98Å; S436-N438 PolarHBondContact O-N 3.44Å; S436-L442 WeakPolarHBondContact O-CD1 3.42Å; S436-R455 VanDerWaalsContact O-CD 3.22Å; S436-R455 WeakPolarHBondContact O-CD 3.32Å; S436-R455 PolarHBondContact O-NH1 3.46Å
437S92.9Very high94.5Very high51 Ų5119.8 Ų19.836%0.35713%0.129SC..G310 helixtrans-65.9-22.5172.265.40000113.3G434 V435 N439 R455G434-S437 WeakPolarHBondContact O-CB 3.35Å; G434-S437 PolarHBondContact O-N 3.32Å; G434-S437 PolarHBondContact O-OG 3.02Å; V435-S437 PolarHBondContact O-N 2.79Å; S437-N439 PolarHBondContact O-N 2.78Å; S437-R455 PolarHBondContact O-NH1 3.13Å; S437-R455 VanDerWaalsContact O-NH1 3.09Å
438N96.9Very high94.6Very high10 Ų1015.7 Ų15.75%0.05310%0.103CC..  trans-77.6114.3179.8-173.2-60.2000111.2T352 S353 L404 V435 S436 F440 V441 L442T352-N438 PolarHBondContact OG1-ND2 2.95Å; S353-N438 PolarHBondContact N-ND2 3Å; L404-N438 WeakPolarHBondContact CD1-ND2 3.28Å; V435-N438 WeakPolarHBondContact O-CB 3.34Å; V435-N438 PolarHBondContact O-N 3.22Å; S436-N438 PolarHBondContact O-N 3.44Å; N438-F440 PolarHBondContact O-N 3.28Å; N438-F440 WeakPolarHBondContact OD1-CA 3.32Å; N438-F440 WeakPolarHBondContact OD1-CB 3.15Å; N438-F440 PolarHBondContact OD1-N 3.03Å; N438-V441 HydrophobicContact CB-CB 4.33Å; N438-V441 HydrophobicContact CB-CG2 4.15Å; N438-V441 PolarHBondContact O-N 2.95Å; N438-V441 PolarHBondContact OD1-N 3.23Å; N438-L442 PolarHBondContact O-N 3.21Å
439N97.1Very high94.6Very high48 Ų4814.1 Ų14.126%0.25710%0.096SC..Hα-helixtrans-68.5-33.3-176.4-71.2-22.2000113S437 L442 Q443 R455 K491 F493S437-N439 PolarHBondContact O-N 2.78Å; N439-L442 PolarHBondContact O-N 2.9Å; N439-Q443 VanDerWaalsContact O-CB 3.3Å; N439-Q443 WeakPolarHBondContact O-CB 3.48Å; N439-Q443 PolarHBondContact O-N 3.41Å; N439-R455 PolarHBondContact OD1-NH1 3.14Å; N439-R455 VanDerWaalsContact OD1-NH1 3.07Å; N439-R455 PolarHBondContact OD1-NH2 2.77Å; N439-R455 VanDerWaalsContact OD1-NH2 3.17Å; N439-K491 PolarHBondContact ND2-NZ 2.95Å; N439-F493 HydrophobicContact CB-CE1 4.3Å
440F97.6Very high94.4Very high3 Ų315.4 Ų15.41%0.01311%0.111CC..Hα-helixtrans-61.7-49.3176.4176-88.6000111.2S353 A356 Y357 R401 L404 E405 N438 L442 Q443 L444S353-F440 PolarHBondContact OG-N 3.25Å; A356-F440 HydrophobicContact CB-CB 4.3Å; A356-F440 HydrophobicContact CB-CD1 3.99Å; A356-F440 HydrophobicContact CB-CD2 3.73Å; A356-F440 HydrophobicContact CB-CE1 4.24Å; A356-F440 HydrophobicContact CB-CE2 4Å; A356-F440 HydrophobicContact CB-CG 3.73Å; A356-F440 HydrophobicContact CB-CZ 4.26Å; Y357-F440 HydrophobicContact CD1-CD2 4.01Å; Y357-F440 HydrophobicContact CD2-CB 4.46Å; Y357-F440 AromaticContact CE1-CD2 3.68Å; Y357-F440 HydrophobicContact CE1-CD2 3.68Å; Y357-F440 HydrophobicContact CE1-CE2 4.37Å; Y357-F440 HydrophobicContact CE2-CB 3.86Å; Y357-F440 HydrophobicContact CE2-CD2 4.22Å; Y357-F440 HydrophobicContact CG-CD2 4.4Å; Y357-F440 AromaticContact CZ-CD2 3.8Å; Y357-F440 WeakPolarHBondContact OH-CA 3.37Å; R401-F440 HydrophobicContact CG-CE1 4.39Å; R401-F440 HydrophobicContact CG-CZ 3.88Å; L404-F440 HydrophobicContact CB-CD1 3.83Å; L404-F440 HydrophobicContact CB-CE1 3.99Å; L404-F440 HydrophobicContact CD1-CD1 4.21Å; E405-F440 HydrophobicContact CG-CE1 3.88Å; E405-F440 HydrophobicContact CG-CZ 3.83Å; N438-F440 PolarHBondContact O-N 3.28Å; N438-F440 WeakPolarHBondContact OD1-CA 3.32Å; N438-F440 WeakPolarHBondContact OD1-CB 3.15Å; N438-F440 PolarHBondContact OD1-N 3.03Å; F440-L442 VanDerWaalsContact C-N 3.34Å; F440-L442 PolarHBondContact O-N 2.83Å; F440-Q443 PolarHBondContact O-N 3.47Å; F440-L444 HydrophobicContact CE1-CD2 4.04Å; F440-L444 HydrophobicContact CZ-CD2 4.24Å; F440-L444 WeakPolarHBondContact O-CB 3.44Å; F440-L444 PolarHBondContact O-N 3.16Å
441V97.6Very high94.3Very high0 Ų019.3 Ų19.30%013%0.125CC..Hα-helixtrans-59.1-45.5178.5173.90000111.2M289 L404 V407 N438 T445M289-V441 HydrophobicContact SD-CG1 4.3Å; L404-V441 HydrophobicContact CB-CG2 3.89Å; L404-V441 HydrophobicContact CD2-CG2 3.76Å; L404-V441 HydrophobicContact CG-CG2 4.3Å; V407-V441 HydrophobicContact CB-CG1 4.4Å; V407-V441 HydrophobicContact CG1-CG1 3.86Å; N438-V441 HydrophobicContact CB-CB 4.33Å; N438-V441 HydrophobicContact CB-CG2 4.15Å; N438-V441 PolarHBondContact O-N 2.95Å; N438-V441 PolarHBondContact OD1-N 3.23Å; V441-T445 VanDerWaalsContact O-CB 3.28Å; V441-T445 WeakPolarHBondContact O-CB 3.43Å; V441-T445 PolarHBondContact O-N 3.47Å; V441-T445 PolarHBondContact O-OG1 3.29Å
442L97.3Very high94.3Very high0 Ų024.6 Ų24.60%015%0.148CC..Hα-helixtrans-69.8-39-178.8-69.4-165.3000113.4M289 V431 S436 N438 N439 F440 T445 A446 R455 F493M289-L442 HydrophobicContact CE-CD2 3.47Å; M289-L442 VanDerWaalsContact CE-CD2 3.47Å; V431-L442 HydrophobicContact CB-CD2 4.15Å; V431-L442 HydrophobicContact CG1-CD2 4.17Å; V431-L442 HydrophobicContact CG2-CD1 3.76Å; V431-L442 HydrophobicContact CG2-CD2 3.76Å; V431-L442 HydrophobicContact CG2-CG 4.45Å; S436-L442 WeakPolarHBondContact O-CD1 3.42Å; N438-L442 PolarHBondContact O-N 3.21Å; N439-L442 PolarHBondContact O-N 2.9Å; F440-L442 VanDerWaalsContact C-N 3.34Å; F440-L442 PolarHBondContact O-N 2.83Å; L442-T445 PolarHBondContact O-N 3.31Å; L442-A446 PolarHBondContact O-N 3.35Å; L442-R455 HydrophobicContact CD1-CB 4.01Å; L442-R455 HydrophobicContact CD1-CG 4.38Å; L442-F493 HydrophobicContact CB-CD1 3.88Å; L442-F493 HydrophobicContact CB-CD2 3.93Å; L442-F493 HydrophobicContact CB-CE1 3.66Å; L442-F493 HydrophobicContact CB-CE2 3.75Å; L442-F493 HydrophobicContact CB-CG 4Å; L442-F493 HydrophobicContact CB-CZ 3.6Å; L442-F493 HydrophobicContact CD1-CD2 4.01Å; L442-F493 HydrophobicContact CD1-CE1 4.47Å; L442-F493 HydrophobicContact CD1-CE2 3.3Å; L442-F493 HydrophobicContact CD1-CZ 3.57Å; L442-F493 HydrophobicContact CG-CE2 4.19Å; L442-F493 HydrophobicContact CG-CZ 4.19Å
443Q96.8Very high94.6Very high17 Ų1724.1 Ų24.18%0.07915%0.146CC..Hα-helixtrans-63.8-50175.2-17662.67000110.4N439 F440 T445 A446 D447 F493 L494 K496N439-Q443 VanDerWaalsContact O-CB 3.3Å; N439-Q443 WeakPolarHBondContact O-CB 3.48Å; N439-Q443 PolarHBondContact O-N 3.41Å; F440-Q443 PolarHBondContact O-N 3.47Å; Q443-T445 VanDerWaalsContact C-N 3.3Å; Q443-T445 PolarHBondContact O-N 2.93Å; Q443-A446 WeakPolarHBondContact O-CB 3.38Å; Q443-A446 PolarHBondContact O-N 3.47Å; Q443-A446 VanDerWaalsContact O-N 3.12Å; Q443-D447 PolarHBondContact NE2-OD1 3.21Å; Q443-D447 PolarHBondContact O-N 3.04Å; Q443-F493 HydrophobicContact CB-CD1 4.12Å; Q443-L494 PolarHBondContact NE2-O 3.37Å; Q443-K496 HydrophobicContact CG-CD 4.44Å; Q443-K496 VanDerWaalsContact OE1-CE 3.23Å; Q443-K496 VanDerWaalsContact OE1-NZ 3.14Å
444L95.9Very high95Very high3 Ų323.7 Ų23.72%0.01614%0.137CC..Hα-helixtrans-61.8-38.2178.4-178.657.9000111.9E405 A408 F409 F440 D447 L448 Y505E405-L444 HydrophobicContact CB-CD2 4.25Å; E405-L444 HydrophobicContact CG-CD2 3.86Å; A408-L444 HydrophobicContact CB-CB 4.07Å; A408-L444 HydrophobicContact CB-CD2 3.64Å; A408-L444 HydrophobicContact CB-CG 3.66Å; F409-L444 HydrophobicContact CE1-CD2 4.42Å; F440-L444 HydrophobicContact CE1-CD2 4.04Å; F440-L444 HydrophobicContact CZ-CD2 4.24Å; F440-L444 WeakPolarHBondContact O-CB 3.44Å; F440-L444 PolarHBondContact O-N 3.16Å; L444-D447 PolarHBondContact O-N 3.1Å; L444-L448 HydrophobicContact CD1-CD1 4.07Å; L444-L448 HydrophobicContact CD1-CG 3.98Å; L444-L448 HydrophobicContact CG-CD1 3.9Å; L444-L448 HydrophobicContact CG-CG 4.28Å; L444-L448 WeakPolarHBondContact O-CB 3.19Å; L444-L448 VanDerWaalsContact O-CG 3.22Å; L444-L448 WeakPolarHBondContact O-CG 3.47Å; L444-L448 PolarHBondContact O-N 2.82Å; L444-Y505 HydrophobicContact CD1-CD1 3.72Å; L444-Y505 HydrophobicContact CD1-CD2 3.71Å; L444-Y505 HydrophobicContact CD1-CE1 3.63Å; L444-Y505 HydrophobicContact CD1-CE2 3.61Å; L444-Y505 HydrophobicContact CD1-CG 3.76Å
445T96.3Very high95.3Very high0 Ų021.8 Ų21.80%011%0.112CC..Hα-helixtrans-60.6-46.3173.9-61.30000111.2N411 V441 L442 Q443 D447 L448 F449N411-T445 HydrophobicContact CB-CG2 4.32Å; N411-T445 PolarHBondContact ND2-OG1 3.13Å; V441-T445 VanDerWaalsContact O-CB 3.28Å; V441-T445 WeakPolarHBondContact O-CB 3.43Å; V441-T445 PolarHBondContact O-N 3.47Å; V441-T445 PolarHBondContact O-OG1 3.29Å; L442-T445 PolarHBondContact O-N 3.31Å; Q443-T445 VanDerWaalsContact C-N 3.3Å; Q443-T445 PolarHBondContact O-N 2.93Å; T445-D447 VanDerWaalsContact C-N 3.34Å; T445-D447 PolarHBondContact O-N 2.79Å; T445-L448 PolarHBondContact O-N 3.1Å; T445-F449 HydrophobicContact CG2-CD1 4.33Å; T445-F449 HydrophobicContact CG2-CD2 3.94Å; T445-F449 HydrophobicContact CG2-CE1 3.89Å; T445-F449 HydrophobicContact CG2-CE2 3.51Å; T445-F449 HydrophobicContact CG2-CG 4.35Å; T445-F449 HydrophobicContact CG2-CZ 3.49Å; T445-F449 VanDerWaalsContact CG2-CZ 3.49Å; T445-F449 WeakPolarHBondContact O-CB 3.41Å; T445-F449 WeakPolarHBondContact O-CD1 3.24Å; T445-F449 WeakPolarHBondContact O-CG 3.44Å; T445-F449 PolarHBondContact O-N 3.37Å
446A95.9Very high95.3Very high0 Ų021.4 Ų21.40%011%0.11CC..Hα-helixtrans-61.7-42.1176.500000112.1L442 Q443 F449 G450 R451 V453 F493L442-A446 PolarHBondContact O-N 3.35Å; Q443-A446 WeakPolarHBondContact O-CB 3.38Å; Q443-A446 PolarHBondContact O-N 3.47Å; Q443-A446 VanDerWaalsContact O-N 3.12Å; A446-F449 PolarHBondContact O-N 2.89Å; A446-G450 PolarHBondContact O-N 3.39Å; A446-R451 WeakPolarHBondContact CB-O 3.45Å; A446-R451 PolarHBondContact O-N 3.39Å; A446-V453 HydrophobicContact CB-CB 4.17Å; A446-V453 HydrophobicContact CB-CG2 3.83Å; A446-F493 HydrophobicContact CB-CB 3.91Å
447D94.4Very high95Very high9 Ų927 Ų275%0.04814%0.136CC..Hα-helixtrans-62.7-49.1178.5-61.2-18.6000111Q443 L444 T445 F449 G450 P495 K496 P501 G502Q443-D447 PolarHBondContact NE2-OD1 3.21Å; Q443-D447 PolarHBondContact O-N 3.04Å; L444-D447 PolarHBondContact O-N 3.1Å; T445-D447 VanDerWaalsContact C-N 3.34Å; T445-D447 PolarHBondContact O-N 2.79Å; D447-F449 PolarHBondContact O-N 2.92Å; D447-G450 PolarHBondContact O-N 3.48Å; D447-P495 VanDerWaalsContact OD1-CA 3.29Å; D447-P495 WeakPolarHBondContact OD1-CA 3.3Å; D447-K496 PolarHBondContact OD1-N 3.25Å; D447-P501 CarbonylContact O-C 3.39Å; D447-G502 WeakPolarHBondContact O-CA 3.46Å; D447-G502 PolarHBondContact O-N 3.29Å; D447-G502 VanDerWaalsContact O-N 3.12Å
448L94.1Very high94.3Very high8 Ų827 Ų274%0.04213%0.13CC..Hα-helixtrans-66.9-33.1179.4-70172000113.3A408 F409 K412 L444 T445 G450A408-L448 HydrophobicContact CB-CD1 3.99Å; F409-L448 HydrophobicContact CD1-CD1 3.65Å; F409-L448 HydrophobicContact CE1-CD1 3.97Å; F409-L448 HydrophobicContact CE1-CD2 4.42Å; K412-L448 HydrophobicContact CB-CB 4.37Å; K412-L448 HydrophobicContact CB-CD1 4.25Å; K412-L448 HydrophobicContact CD-CB 4.13Å; K412-L448 WeakPolarHBondContact CD-O 3.43Å; K412-L448 WeakPolarHBondContact CE-O 3.47Å; K412-L448 HydrophobicContact CG-CB 4.35Å; K412-L448 PolarHBondContact NZ-O 3.35Å; L444-L448 HydrophobicContact CD1-CD1 4.07Å; L444-L448 HydrophobicContact CD1-CG 3.98Å; L444-L448 HydrophobicContact CG-CD1 3.9Å; L444-L448 HydrophobicContact CG-CG 4.28Å; L444-L448 WeakPolarHBondContact O-CB 3.19Å; L444-L448 VanDerWaalsContact O-CG 3.22Å; L444-L448 WeakPolarHBondContact O-CG 3.47Å; L444-L448 PolarHBondContact O-N 2.82Å; T445-L448 PolarHBondContact O-N 3.1Å; L448-G450 VanDerWaalsContact C-N 3.33Å
449F93.8Very high93.2Very high13 Ų1333.8 Ų33.86%0.05716%0.155CC..Hα-helixtrans-77.6-25.3176.5-70.95.3000112.2I287 M295 N411 K412 Y415 I429 T445 A446 D447 R451 V453I287-F449 HydrophobicContact CD1-CE2 3.65Å; I287-F449 HydrophobicContact CD1-CZ 4.02Å; M295-F449 HydrophobicContact CE-CZ 3.94Å; N411-F449 HydrophobicContact CB-CE1 4.24Å; N411-F449 HydrophobicContact CB-CZ 4.03Å; K412-F449 HydrophobicContact CB-CE1 4.43Å; K412-F449 HydrophobicContact CD-CD1 4.27Å; Y415-F449 VanDerWaalsContact CB-CE1 3.5Å; Y415-F449 AromaticContact CD1-CD1 3.86Å; Y415-F449 HydrophobicContact CD1-CD1 3.86Å; Y415-F449 HydrophobicContact CD1-CE1 4.22Å; Y415-F449 HydrophobicContact CD1-CG 4.23Å; Y415-F449 HydrophobicContact CD2-CD1 4.17Å; Y415-F449 AromaticContact CD2-CD2 3.9Å; Y415-F449 HydrophobicContact CD2-CD2 3.9Å; Y415-F449 HydrophobicContact CD2-CE1 4.21Å; Y415-F449 AromaticContact CD2-CE2 3.9Å; Y415-F449 HydrophobicContact CD2-CE2 3.9Å; Y415-F449 HydrophobicContact CD2-CG 4.02Å; Y415-F449 HydrophobicContact CD2-CZ 4.05Å; Y415-F449 HydrophobicContact CE1-CB 4.3Å; Y415-F449 HydrophobicContact CE1-CD1 4.32Å; Y415-F449 HydrophobicContact CE1-CG 4.32Å; Y415-F449 HydrophobicContact CE2-CB 4.35Å; Y415-F449 HydrophobicContact CE2-CD2 4.06Å; Y415-F449 HydrophobicContact CE2-CE2 4.48Å; Y415-F449 HydrophobicContact CE2-CG 4.09Å; Y415-F449 AromaticContact CG-CD1 3.77Å; Y415-F449 HydrophobicContact CG-CD1 3.77Å; Y415-F449 HydrophobicContact CG-CD2 4.33Å; Y415-F449 AromaticContact CG-CE1 3.74Å; Y415-F449 HydrophobicContact CG-CE1 3.74Å; Y415-F449 HydrophobicContact CG-CE2 4.27Å; Y415-F449 HydrophobicContact CG-CG 4.07Å; Y415-F449 AromaticContact CG-CZ 3.97Å; Y415-F449 HydrophobicContact CG-CZ 3.97Å; Y415-F449 PolarHBondContact OH-O 2.94Å; I429-F449 HydrophobicContact CD1-CD2 3.53Å; I429-F449 HydrophobicContact CD1-CE2 4.06Å; I429-F449 HydrophobicContact CG2-CE2 4.45Å; T445-F449 HydrophobicContact CG2-CD1 4.33Å; T445-F449 HydrophobicContact CG2-CD2 3.94Å; T445-F449 HydrophobicContact CG2-CE1 3.89Å; T445-F449 HydrophobicContact CG2-CE2 3.51Å; T445-F449 HydrophobicContact CG2-CG 4.35Å; T445-F449 HydrophobicContact CG2-CZ 3.49Å; T445-F449 VanDerWaalsContact CG2-CZ 3.49Å; T445-F449 WeakPolarHBondContact O-CB 3.41Å; T445-F449 WeakPolarHBondContact O-CD1 3.24Å; T445-F449 WeakPolarHBondContact O-CG 3.44Å; T445-F449 PolarHBondContact O-N 3.37Å; A446-F449 PolarHBondContact O-N 2.89Å; D447-F449 PolarHBondContact O-N 2.92Å; F449-R451 VanDerWaalsContact C-N 3.25Å; F449-R451 HydrophobicContact CB-CB 4.32Å; F449-V453 HydrophobicContact CD2-CG2 4.4Å
450G92.8Very high92.7Very high30 Ų3033.7 Ų33.731%0.30915%0.153SC..THydrogen-bonded Turntrans63.631.9-16800000113A446 D447 L448A446-G450 PolarHBondContact O-N 3.39Å; D447-G450 PolarHBondContact O-N 3.48Å; L448-G450 VanDerWaalsContact C-N 3.33Å
451R94.1Very high92.4Very high104 Ų10434 Ų3439%0.39215%0.154SC..SBendtrans-140.3156-175.9-65.4-165-170.4-83.1-6.7111.8Y415 I429 A446 F449 V453Y415-R451 WeakPolarHBondContact OH-CD 3.47Å; Y415-R451 PolarHBondContact OH-NE 3.48Å; I429-R451 HydrophobicContact CD1-CB 4.02Å; A446-R451 WeakPolarHBondContact CB-O 3.45Å; A446-R451 PolarHBondContact O-N 3.39Å; F449-R451 VanDerWaalsContact C-N 3.25Å; F449-R451 HydrophobicContact CB-CB 4.32Å; R451-V453 PolarHBondContact O-N 3.36Å
452K95.4Very high92.3Very high112 Ų11234.5 Ų34.549%0.48716%0.158SC..  trans-63.7129171.4-179.5179671710110.1I454 V492 F493 L494K452-I454 HydrophobicContact CD-CD1 4.37Å; K452-I454 HydrophobicContact CD-CG1 4.18Å; K452-I454 HydrophobicContact CG-CG1 4.09Å; K452-V492 HydrophobicContact CD-CG1 3.58Å; K452-V492 HydrophobicContact CG-CG1 3.59Å; K452-F493 WeakPolarHBondContact CA-O 3.21Å; K452-L494 HydrophobicContact CB-CD2 4.01Å; K452-L494 HydrophobicContact CD-CD2 4.09Å; K452-L494 HydrophobicContact CG-CD2 3.86Å
453V97.1Very high92.2Very high0 Ų034.5 Ų34.50%016%0.158CC..EExtended strand (participates in β ladder)trans-115.8132.9172.3177.90000108.5I429 V431 A446 F449 R451 F493I429-V453 HydrophobicContact CB-CG2 4.39Å; I429-V453 HydrophobicContact CG2-CG1 4.4Å; I429-V453 HydrophobicContact CG2-CG2 4.14Å; V431-V453 HydrophobicContact CB-CG1 4.33Å; V431-V453 HydrophobicContact CG1-CG1 3.37Å; V431-V453 HydrophobicContact CG2-CG1 3.94Å; A446-V453 HydrophobicContact CB-CB 4.17Å; A446-V453 HydrophobicContact CB-CG2 3.83Å; F449-V453 HydrophobicContact CD2-CG2 4.4Å; R451-V453 PolarHBondContact O-N 3.36Å; V453-F493 HydrophobicContact CB-CB 4.36Å; V453-F493 PolarHBondContact N-O 3.39Å; V453-F493 PolarHBondContact O-N 2.66Å
454I96.2Very high92.2Very high14 Ų1434.2 Ų34.27%0.07216%0.157CC..EExtended strand (participates in β ladder)trans-119.8123.6-176.8-47.2166.2000110.2I429 R430 V431 K452 A489 V492I429-I454 PolarHBondContact O-N 2.85Å; R430-I454 WeakPolarHBondContact CA-O 3.5Å; V431-I454 PolarHBondContact N-O 2.91Å; V431-I454 VanDerWaalsContact N-O 3.16Å; K452-I454 HydrophobicContact CD-CD1 4.37Å; K452-I454 HydrophobicContact CD-CG1 4.18Å; K452-I454 HydrophobicContact CG-CG1 4.09Å; I454-A489 HydrophobicContact CG2-CB 3.65Å; I454-V492 HydrophobicContact CG1-CG2 4.48Å; I454-V492 HydrophobicContact CG2-CG2 4.14Å
455R95Very high92.3Very high18 Ų1834 Ų347%0.06816%0.156CC..EExtended strand (participates in β ladder)trans-93124.1168.9-174.7170.167.6-1561.9109.3V431 S436 S437 N439 L442 D490 K491 F493V431-R455 HydrophobicContact CG2-CB 3.9Å; V431-R455 HydrophobicContact CG2-CG 4.37Å; S436-R455 VanDerWaalsContact O-CD 3.22Å; S436-R455 WeakPolarHBondContact O-CD 3.32Å; S436-R455 PolarHBondContact O-NH1 3.46Å; S437-R455 PolarHBondContact O-NH1 3.13Å; S437-R455 VanDerWaalsContact O-NH1 3.09Å; N439-R455 PolarHBondContact OD1-NH1 3.14Å; N439-R455 VanDerWaalsContact OD1-NH1 3.07Å; N439-R455 PolarHBondContact OD1-NH2 2.77Å; N439-R455 VanDerWaalsContact OD1-NH2 3.17Å; L442-R455 HydrophobicContact CD1-CB 4.01Å; L442-R455 HydrophobicContact CD1-CG 4.38Å; R455-D490 IonicContact CZ-OD2 2.95Å; R455-D490 IonicContact NE-OD2 2.82Å; R455-D490 PolarHBondContact NE-OD2 2.69Å; R455-D490 IonicContact NH2-OD2 2.81Å; R455-D490 PolarHBondContact NH2-OD2 3.04Å; R455-D490 PolarHBondContact O-N 3.26Å; R455-K491 PolarHBondContact N-O 3.04Å; R455-K491 PolarHBondContact O-N 2.93Å; R455-F493 HydrophobicContact CB-CE2 4.15Å
456P91.3Very high92.4Very high6 Ų634 Ų344%0.03916%0.156CC..EExtended strand (participates in β ladder)trans-70.1162.3178.536-42000111.8E277 V431 H458 M461 S488 D490E277-P456 WeakPolarHBondContact OE1-CD 3.44Å; E277-P456 WeakPolarHBondContact OE1-CG 3.31Å; V431-P456 WeakPolarHBondContact O-CD 3.48Å; P456-H458 WeakPolarHBondContact CB-O 3.41Å; P456-H458 WeakPolarHBondContact CG-O 3.4Å; P456-M461 HydrophobicContact CB-CE 3.59Å; P456-M461 HydrophobicContact CG-CE 3.84Å; P456-M461 HydrophobicContact CG-CG 4.47Å; P456-S488 WeakPolarHBondContact CA-O 3.45Å; P456-D490 WeakPolarHBondContact O-CB 3.43Å
457Q86.4Confident92.5Very high120 Ų12034 Ų3456%0.56116%0.156SC*.SBendtrans-71.8-46.5172.5-167.8-179.53.900111.9S488Q457-S488 WeakPolarHBondContact CB-OG 3.25Å; Q457-S488 PolarHBondContact N-O 3.18Å; Q457-S488 VanDerWaalsContact N-O 3.08Å; Q457-S488 PolarHBondContact OE1-OG 3.13Å
458H78.2Confident92.7Very high51 Ų5133.7 Ų33.724%0.23615%0.154CC..  trans-79.3135.5173.5-64.4-69.8000109.4P456 M461P456-H458 WeakPolarHBondContact CB-O 3.41Å; P456-H458 WeakPolarHBondContact CG-O 3.4Å; H458-M461 HydrophobicContact CB-CE 3.72Å; H458-M461 WeakPolarHBondContact O-CE 3.49Å
459R74.9Confident92.8Very high154 Ų15433.4 Ų33.458%0.58115%0.153SC*.SBendtrans-96.8-14.1-178.8-62.4-178.8-176.7174.30.5113.2M461R459-M461 PolarHBondContact O-N 3.48Å
460E85.7Confident93.1Very high45 Ų4532.8 Ų32.821%0.2115%0.15CC..  trans-9759.3-170.4-55-58.1163.500111.8R26 S462 S463 L464R26-E460 IonicContact CZ-OE1 3.3Å; R26-E460 IonicContact CZ-OE2 3.41Å; R26-E460 IonicContact NE-OE2 3.74Å; R26-E460 IonicContact NH1-OE1 3.76Å; R26-E460 PolarHBondContact NH1-OE1 3.29Å; R26-E460 IonicContact NH1-OE2 3.63Å; R26-E460 PolarHBondContact NH1-OE2 3.27Å; R26-E460 IonicContact NH2-OE2 3.46Å; R26-E460 PolarHBondContact NH2-OE2 3.33Å; E460-S462 VanDerWaalsContact C-N 3.34Å; E460-S462 PolarHBondContact O-N 2.93Å; E460-S463 PolarHBondContact O-N 2.84Å; E460-L464 PolarHBondContact O-N 2.63Å
461M92.3Very high93.3Very high9 Ų931.4 Ų31.44%0.04414%0.136CC..Hα-helixtrans-67.3-31.8-173.2-71.4-64.2140.900113.6A273 E277 D432 P456 H458 R459 L464 G465A273-M461 HydrophobicContact CB-CB 3.97Å; E277-M461 HydrophobicContact CG-CB 4.2Å; E277-M461 HydrophobicContact CG-CG 3.73Å; E277-M461 HydrophobicContact CG-SD 3.86Å; E277-M461 WeakPolarHBondContact OE1-CG 3.41Å; D432-M461 HydrophobicContact CB-CG 4.43Å; P456-M461 HydrophobicContact CB-CE 3.59Å; P456-M461 HydrophobicContact CG-CE 3.84Å; P456-M461 HydrophobicContact CG-CG 4.47Å; H458-M461 HydrophobicContact CB-CE 3.72Å; H458-M461 WeakPolarHBondContact O-CE 3.49Å; R459-M461 PolarHBondContact O-N 3.48Å; M461-L464 HydrophobicContact CE-CD2 4.14Å; M461-L464 PolarHBondContact O-N 3.08Å; M461-L464 HydrophobicContact SD-CD2 4.08Å; M461-G465 PolarHBondContact O-N 3.34Å
462S94.5Very high93.5Very high12 Ų1228.3 Ų28.38%0.08413%0.127CC..Hα-helixtrans-59.9-52.8175.1-1780000111.1D19 S89 D269 A272 E460 L464 G465 A466D19-S462 WeakPolarHBondContact OD1-CB 3.24Å; D19-S462 PolarHBondContact OD1-OG 2.85Å; S89-S462 WeakPolarHBondContact CB-OG 3.44Å; S89-S462 PolarHBondContact OG-OG 3.41Å; D269-S462 WeakPolarHBondContact CA-OG 3.22Å; D269-S462 PolarHBondContact O-OG 3.46Å; A272-S462 VanDerWaalsContact CB-O 3.27Å; A272-S462 WeakPolarHBondContact CB-O 3.24Å; E460-S462 VanDerWaalsContact C-N 3.34Å; E460-S462 PolarHBondContact O-N 2.93Å; S462-L464 PolarHBondContact O-N 3.11Å; S462-G465 PolarHBondContact O-N 3Å; S462-A466 PolarHBondContact O-N 2.91Å; S462-A466 VanDerWaalsContact O-N 3.16Å
463S95.8Very high93.5Very high0 Ų024.9 Ų24.90%012%0.123CC..Hα-helixtrans-60.9-45.9175.4-176.50000111.6S17 H28 Y30 E460 G465 A466 A467S17-S463 WeakPolarHBondContact CB-OG 3.36Å; S17-S463 WeakPolarHBondContact OG-CA 3.27Å; S17-S463 PolarHBondContact OG-O 3.16Å; S17-S463 PolarHBondContact OG-OG 3.15Å; H28-S463 PolarHBondContact ND1-OG 3.39Å; H28-S463 VanDerWaalsContact ND1-OG 3.12Å; Y30-S463 PolarHBondContact OH-OG 3.42Å; E460-S463 PolarHBondContact O-N 2.84Å; S463-G465 VanDerWaalsContact C-N 3.33Å; S463-G465 PolarHBondContact O-N 3.43Å; S463-A466 PolarHBondContact O-N 2.86Å; S463-A467 WeakPolarHBondContact O-CB 3.32Å; S463-A467 PolarHBondContact O-N 3.41Å
464L96.4Very high93.5Very high10 Ų1027.4 Ų27.45%0.05214%0.138CC..Hα-helixtrans-61.6-39.9180-176.460000112.5Y30 A34 E460 M461 S462 A467 F468Y30-L464 HydrophobicContact CD1-CD1 4.06Å; Y30-L464 HydrophobicContact CE1-CD1 3.75Å; Y30-L464 PolarHBondContact OH-N 3.27Å; A34-L464 HydrophobicContact CB-CD1 4.1Å; E460-L464 PolarHBondContact O-N 2.63Å; M461-L464 HydrophobicContact CE-CD2 4.14Å; M461-L464 PolarHBondContact O-N 3.08Å; M461-L464 HydrophobicContact SD-CD2 4.08Å; S462-L464 PolarHBondContact O-N 3.11Å; L464-A467 WeakPolarHBondContact O-CB 3.12Å; L464-A467 PolarHBondContact O-N 2.79Å; L464-F468 HydrophobicContact CD1-CD1 3.98Å; L464-F468 HydrophobicContact CD1-CE1 3.48Å; L464-F468 VanDerWaalsContact CD1-CE1 3.48Å; L464-F468 HydrophobicContact CD1-CE2 4.11Å; L464-F468 HydrophobicContact CD1-CZ 3.56Å; L464-F468 HydrophobicContact CD2-CE2 3.96Å; L464-F468 HydrophobicContact CD2-CZ 3.86Å; L464-F468 HydrophobicContact CG-CD1 4.44Å; L464-F468 HydrophobicContact CG-CD2 4.16Å; L464-F468 HydrophobicContact CG-CE1 4.05Å; L464-F468 HydrophobicContact CG-CE2 3.71Å; L464-F468 HydrophobicContact CG-CZ 3.66Å; L464-F468 WeakPolarHBondContact O-CB 3.41Å; L464-F468 VanDerWaalsContact O-CG 3.3Å; L464-F468 WeakPolarHBondContact O-CG 3.38Å; L464-F468 PolarHBondContact O-N 2.78Å
465G97.2Very high93.5Very high0 Ų028.5 Ų28.50%015%0.153CC..Hα-helixtrans-63.3-45.3176.400000113.1A272 M461 S462 S463 A467 F468 V469A272-G465 WeakPolarHBondContact O-CA 3.42Å; M461-G465 PolarHBondContact O-N 3.34Å; S462-G465 PolarHBondContact O-N 3Å; S463-G465 VanDerWaalsContact C-N 3.33Å; S463-G465 PolarHBondContact O-N 3.43Å; G465-A467 VanDerWaalsContact C-N 3.31Å; G465-A467 PolarHBondContact O-N 3.27Å; G465-F468 PolarHBondContact O-N 3.46Å; G465-V469 PolarHBondContact O-N 3.46Å
466A98.1Very high93.6Very high0 Ų028.1 Ų28.10%015%0.152CC..Hα-helixtrans-63.6-37.8174.800000111.9S462 S463 A470S462-A466 PolarHBondContact O-N 2.91Å; S462-A466 VanDerWaalsContact O-N 3.16Å; S463-A466 PolarHBondContact O-N 2.86Å; A466-A470 VanDerWaalsContact O-CB 3.32Å; A466-A470 WeakPolarHBondContact O-CB 3.23Å; A466-A470 PolarHBondContact O-N 3.11Å
467A98.3Very high93.9Very high0 Ų027.9 Ų27.90%015%0.15CC..Hα-helixtrans-61.4-47.3172.700000111.3I15 Y30 S463 L464 G465 V469 A470 G471 W477I15-A467 HydrophobicContact CG2-CB 3.75Å; Y30-A467 HydrophobicContact CD2-CB 3.58Å; Y30-A467 HydrophobicContact CE2-CB 3.81Å; Y30-A467 HydrophobicContact CG-CB 4.36Å; S463-A467 WeakPolarHBondContact O-CB 3.32Å; S463-A467 PolarHBondContact O-N 3.41Å; L464-A467 WeakPolarHBondContact O-CB 3.12Å; L464-A467 PolarHBondContact O-N 2.79Å; G465-A467 VanDerWaalsContact C-N 3.31Å; G465-A467 PolarHBondContact O-N 3.27Å; A467-V469 PolarHBondContact O-N 3.41Å; A467-A470 PolarHBondContact O-N 3.41Å; A467-G471 PolarHBondContact O-N 2.92Å; A467-W477 WeakPolarHBondContact O-CZ3 3.22Å
468F98.2Very high94.3Very high2 Ų228.9 Ų28.91%0.00916%0.157CC..Hα-helixtrans-60.6-44.9179.2-75.6-15.3000112.9A34 F275 L464 G465 G471 L472 W477 L483 L486A34-F468 HydrophobicContact CB-CE1 3.8Å; A34-F468 HydrophobicContact CB-CZ 4.12Å; F275-F468 HydrophobicContact CD1-CB 3.93Å; F275-F468 HydrophobicContact CD1-CD2 4.48Å; F275-F468 HydrophobicContact CE1-CB 3.8Å; L464-F468 HydrophobicContact CD1-CD1 3.98Å; L464-F468 HydrophobicContact CD1-CE1 3.48Å; L464-F468 VanDerWaalsContact CD1-CE1 3.48Å; L464-F468 HydrophobicContact CD1-CE2 4.11Å; L464-F468 HydrophobicContact CD1-CZ 3.56Å; L464-F468 HydrophobicContact CD2-CE2 3.96Å; L464-F468 HydrophobicContact CD2-CZ 3.86Å; L464-F468 HydrophobicContact CG-CD1 4.44Å; L464-F468 HydrophobicContact CG-CD2 4.16Å; L464-F468 HydrophobicContact CG-CE1 4.05Å; L464-F468 HydrophobicContact CG-CE2 3.71Å; L464-F468 HydrophobicContact CG-CZ 3.66Å; L464-F468 WeakPolarHBondContact O-CB 3.41Å; L464-F468 VanDerWaalsContact O-CG 3.3Å; L464-F468 WeakPolarHBondContact O-CG 3.38Å; L464-F468 PolarHBondContact O-N 2.78Å; G465-F468 PolarHBondContact O-N 3.46Å; F468-G471 PolarHBondContact O-N 3.26Å; F468-L472 WeakPolarHBondContact O-CB 3.48Å; F468-L472 VanDerWaalsContact O-CG 3.24Å; F468-L472 WeakPolarHBondContact O-CG 3.3Å; F468-L472 PolarHBondContact O-N 2.88Å; F468-W477 HydrophobicContact CD1-CD2 4.31Å; F468-W477 AromaticContact CD1-CE3 3.94Å; F468-W477 HydrophobicContact CD1-CE3 3.94Å; F468-W477 AromaticContact CD1-CH2 3.95Å; F468-W477 HydrophobicContact CD1-CH2 3.95Å; F468-W477 HydrophobicContact CD1-CZ2 4.28Å; F468-W477 AromaticContact CD1-CZ3 3.77Å; F468-W477 HydrophobicContact CD1-CZ3 3.77Å; F468-W477 HydrophobicContact CE1-CH2 4.23Å; F468-W477 HydrophobicContact CE1-CZ2 4.18Å; F468-W477 HydrophobicContact CE1-CZ3 4.46Å; F468-L483 HydrophobicContact CB-CD1 3.72Å; F468-L483 HydrophobicContact CB-CD2 4.36Å; F468-L483 HydrophobicContact CD1-CD1 4.41Å; F468-L483 HydrophobicContact CD1-CD2 3.59Å; F468-L483 HydrophobicContact CD2-CB 4.34Å; F468-L483 HydrophobicContact CD2-CD1 3.91Å; F468-L483 HydrophobicContact CD2-CD2 4.3Å; F468-L483 HydrophobicContact CD2-CG 4.41Å; F468-L483 HydrophobicContact CE1-CD2 3.8Å; F468-L483 HydrophobicContact CE2-CB 4.24Å; F468-L483 HydrophobicContact CE2-CD2 4.49Å; F468-L483 HydrophobicContact CG-CD1 3.79Å; F468-L483 HydrophobicContact CG-CD2 3.85Å; F468-L483 HydrophobicContact CG-CG 4.31Å; F468-L483 HydrophobicContact CZ-CB 4.49Å; F468-L483 HydrophobicContact CZ-CD2 4.25Å; F468-L486 HydrophobicContact CE1-CD1 4.32Å
469V98.1Very high95.1Very high2 Ų229.4 Ų29.41%0.01216%0.164CC..Hα-helixtrans-65-44.8176.9176.80000111T245 S265 M267 F275 I318 G465 A467 G471 L472 G473T245-V469 HydrophobicContact CG2-CG1 4.36Å; S265-V469 WeakPolarHBondContact OG-CB 3.4Å; S265-V469 WeakPolarHBondContact OG-CG1 3.5Å; M267-V469 HydrophobicContact CE-CG2 4.36Å; M267-V469 HydrophobicContact SD-CB 4.1Å; M267-V469 HydrophobicContact SD-CG2 3.59Å; M267-V469 VanDerWaalsContact SD-CG2 3.59Å; F275-V469 HydrophobicContact CD1-CG2 3.71Å; F275-V469 HydrophobicContact CD2-CG2 4.07Å; F275-V469 HydrophobicContact CE1-CG2 3.63Å; F275-V469 HydrophobicContact CE2-CG2 4Å; F275-V469 HydrophobicContact CG-CG2 3.93Å; F275-V469 HydrophobicContact CZ-CG2 3.78Å; I318-V469 HydrophobicContact CD1-CG1 4.36Å; I318-V469 HydrophobicContact CD1-CG2 4.13Å; G465-V469 PolarHBondContact O-N 3.46Å; A467-V469 PolarHBondContact O-N 3.41Å; V469-G471 VanDerWaalsContact C-N 3.34Å; V469-G471 PolarHBondContact O-N 3.3Å; V469-L472 PolarHBondContact O-N 2.76Å; V469-G473 PolarHBondContact O-N 3.2Å
470A98.3Very high96.1Very high0 Ų024.8 Ų24.80%015%0.146CC..Hα-helixtrans-61-43.5176.800000112.1A85 M264 A466 A467 G473 V474A85-A470 HydrophobicContact CB-CB 4.08Å; M264-A470 HydrophobicContact CB-CB 3.9Å; A466-A470 VanDerWaalsContact O-CB 3.32Å; A466-A470 WeakPolarHBondContact O-CB 3.23Å; A466-A470 PolarHBondContact O-N 3.11Å; A467-A470 PolarHBondContact O-N 3.41Å; A470-G473 PolarHBondContact O-N 3.38Å; A470-V474 PolarHBondContact O-N 2.96Å
471G98.1Very high96.6Very high0 Ų028.1 Ų28.10%016%0.162CC..Hα-helixtrans-67.8-40.7179.300000113A467 F468 V469 G473 V474 G475 F476 W477A467-G471 PolarHBondContact O-N 2.92Å; F468-G471 PolarHBondContact O-N 3.26Å; V469-G471 VanDerWaalsContact C-N 3.34Å; V469-G471 PolarHBondContact O-N 3.3Å; G471-G473 VanDerWaalsContact C-N 3.26Å; G471-G473 PolarHBondContact O-N 3.43Å; G471-V474 PolarHBondContact O-N 2.82Å; G471-G475 PolarHBondContact O-N 3.32Å; G471-G475 VanDerWaalsContact O-N 3.1Å; G471-F476 WeakPolarHBondContact O-CB 3.21Å; G471-F476 PolarHBondContact O-N 3.32Å; G471-W477 PolarHBondContact O-N 3.45Å
472L97.6Very high96.8Very high40 Ų4030.7 Ų30.721%0.20917%0.174CC..Hα-helixtrans-58.8-40.7169.6-74.2170.5000111F275 F468 V469 V474 G475 W477 L483F275-L472 HydrophobicContact CE1-CD1 4.1Å; F275-L472 HydrophobicContact CZ-CD1 3.86Å; F468-L472 WeakPolarHBondContact O-CB 3.48Å; F468-L472 VanDerWaalsContact O-CG 3.24Å; F468-L472 WeakPolarHBondContact O-CG 3.3Å; F468-L472 PolarHBondContact O-N 2.88Å; V469-L472 PolarHBondContact O-N 2.76Å; L472-V474 VanDerWaalsContact C-N 3.27Å; L472-V474 PolarHBondContact O-N 3.44Å; L472-G475 PolarHBondContact O-N 2.81Å; L472-W477 HydrophobicContact CD2-CB 4.26Å; L472-L483 HydrophobicContact CD1-CD1 3.81Å; L472-L483 HydrophobicContact CD2-CD1 4.45Å; L472-L483 HydrophobicContact CG-CD1 4.19Å
473G95.8Very high96.8Very high39 Ų3930.1 Ų30.140%0.40217%0.17SC..Hα-helixtrans-62.1-28.7179.900000114.7M264 V469 A470 G471M264-G473 WeakPolarHBondContact CE-O 3.27Å; V469-G473 PolarHBondContact O-N 3.2Å; A470-G473 PolarHBondContact O-N 3.38Å; G471-G473 VanDerWaalsContact C-N 3.26Å; G471-G473 PolarHBondContact O-N 3.43Å
474V96.7Very high96.8Very high53 Ų5333.4 Ų33.432%0.32118%0.184SC..THydrogen-bonded Turntrans-106.35.4178.3-590000113.8I15 E84 A85 M264 A470 G471 L472 F476I15-V474 HydrophobicContact CD1-CG2 4.16Å; E84-V474 HydrophobicContact CB-CG2 4.1Å; A85-V474 HydrophobicContact CB-CG1 3.89Å; A85-V474 HydrophobicContact CB-CG2 4.05Å; M264-V474 HydrophobicContact CE-CG1 4.05Å; M264-V474 HydrophobicContact CG-CG1 3.64Å; M264-V474 HydrophobicContact SD-CG1 4.11Å; A470-V474 PolarHBondContact O-N 2.96Å; G471-V474 PolarHBondContact O-N 2.82Å; L472-V474 VanDerWaalsContact C-N 3.27Å; L472-V474 PolarHBondContact O-N 3.44Å; V474-F476 VanDerWaalsContact C-N 3.26Å; V474-F476 HydrophobicContact CG2-CB 3.92Å; V474-F476 PolarHBondContact O-N 2.77Å
475G96.1Very high96.7Very high38 Ų3841.4 Ų41.439%0.39222%0.218SC..THydrogen-bonded Turntrans68.723.4-175.700000113.7G471 L472G471-G475 PolarHBondContact O-N 3.32Å; G471-G475 VanDerWaalsContact O-N 3.1Å; L472-G475 PolarHBondContact O-N 2.81Å
476F97Very high96.5Very high9 Ų943.6 Ų43.64%0.03923%0.23CC..SBendtrans-68.7-42.1170.7-170.8-92.5000110.9S13 I15 K32 E84 G471 V474S13-F476 WeakPolarHBondContact O-CE2 3.13Å; I15-F476 HydrophobicContact CD1-CB 3.82Å; I15-F476 HydrophobicContact CD1-CD1 4.18Å; I15-F476 HydrophobicContact CD1-CD2 4.09Å; I15-F476 HydrophobicContact CD1-CG 3.77Å; I15-F476 HydrophobicContact CG1-CB 4.13Å; I15-F476 HydrophobicContact CG1-CD1 3.52Å; I15-F476 HydrophobicContact CG1-CD2 4.06Å; I15-F476 HydrophobicContact CG1-CE1 3.84Å; I15-F476 HydrophobicContact CG1-CE2 4.37Å; I15-F476 HydrophobicContact CG1-CG 3.64Å; I15-F476 HydrophobicContact CG1-CZ 4.26Å; K32-F476 HydrophobicContact CB-CZ 4.48Å; K32-F476 HydrophobicContact CD-CD1 4.02Å; K32-F476 HydrophobicContact CD-CD2 4.28Å; K32-F476 HydrophobicContact CD-CE1 3.62Å; K32-F476 HydrophobicContact CD-CE2 3.86Å; K32-F476 HydrophobicContact CD-CG 4.35Å; K32-F476 HydrophobicContact CD-CZ 3.52Å; K32-F476 VanDerWaalsContact CE-CE2 3.43Å; K32-F476 HydrophobicContact CG-CE1 4.19Å; K32-F476 HydrophobicContact CG-CE2 4.33Å; K32-F476 HydrophobicContact CG-CZ 3.79Å; K32-F476 VanDerWaalsContact NZ-C 3.35Å; K32-F476 VanDerWaalsContact NZ-CA 3.31Å; K32-F476 PolarHBondContact NZ-O 2.96Å; E84-F476 HydrophobicContact CG-CD2 4.16Å; G471-F476 WeakPolarHBondContact O-CB 3.21Å; G471-F476 PolarHBondContact O-N 3.32Å; V474-F476 VanDerWaalsContact C-N 3.26Å; V474-F476 HydrophobicContact CG2-CB 3.92Å; V474-F476 PolarHBondContact O-N 2.77Å
477W97.4Very high96Very high1 Ų146 Ų460%0.00424%0.241CC..SBendtrans-114.7150.7160.1-63.3-70.8000107.8I15 D31 K32 A34 A467 F468 G471 L472 L483 L486I15-W477 HydrophobicContact CB-CH2 4.34Å; I15-W477 HydrophobicContact CB-CZ3 4.38Å; I15-W477 HydrophobicContact CG1-CH2 4.03Å; I15-W477 HydrophobicContact CG1-CZ3 3.83Å; D31-W477 WeakPolarHBondContact O-CZ2 3.46Å; K32-W477 PolarHBondContact O-NE1 3.41Å; A34-W477 HydrophobicContact CB-CZ2 4.31Å; A467-W477 WeakPolarHBondContact O-CZ3 3.22Å; F468-W477 HydrophobicContact CD1-CD2 4.31Å; F468-W477 AromaticContact CD1-CE3 3.94Å; F468-W477 HydrophobicContact CD1-CE3 3.94Å; F468-W477 AromaticContact CD1-CH2 3.95Å; F468-W477 HydrophobicContact CD1-CH2 3.95Å; F468-W477 HydrophobicContact CD1-CZ2 4.28Å; F468-W477 AromaticContact CD1-CZ3 3.77Å; F468-W477 HydrophobicContact CD1-CZ3 3.77Å; F468-W477 HydrophobicContact CE1-CH2 4.23Å; F468-W477 HydrophobicContact CE1-CZ2 4.18Å; F468-W477 HydrophobicContact CE1-CZ3 4.46Å; G471-W477 PolarHBondContact O-N 3.45Å; L472-W477 HydrophobicContact CD2-CB 4.26Å; W477-L483 HydrophobicContact CB-CD2 3.71Å; W477-L483 HydrophobicContact CD2-CD2 3.82Å; W477-L483 HydrophobicContact CE3-CD2 4.24Å; W477-L483 HydrophobicContact CG-CD2 3.58Å; W477-L486 VanDerWaalsContact NE1-CD1 3.33Å
478M95.4Very high95.4Very high141 Ų14147.8 Ų47.870%0.69525%0.254SS*.  trans-98.9-33.8-171.2-62.2-58.1-65.800112.8E482M478-E482 PolarHBondContact N-OE2 2.82Å
479T96.1Very high94.9Very high62 Ų6250.1 Ų50.138%0.3827%0.273SS..  trans-146157.8-169.962.90000112.9E481 E482 L483T479-E481 PolarHBondContact O-N 3.18Å; T479-E482 WeakPolarHBondContact O-CB 3.26Å; T479-E482 PolarHBondContact O-N 2.65Å; T479-E482 WeakPolarHBondContact OG1-CB 3.34Å; T479-E482 PolarHBondContact OG1-N 3.21Å; T479-E482 VanDerWaalsContact OG1-N 3.16Å; T479-L483 PolarHBondContact O-N 3.45Å
480R95.1Very high94.6Very high58 Ų5854 Ų5422%0.21929%0.294CS..Hα-helixtrans-65.5-31.1173.2-69.4-177.5-171.1165.84.3111.7F280 D321 E482 L483 K484F280-R480 HydrophobicContact CD2-CB 3.79Å; F280-R480 HydrophobicContact CD2-CG 4.19Å; F280-R480 HydrophobicContact CE2-CB 3.66Å; F280-R480 HydrophobicContact CE2-CG 4.03Å; F280-R480 HydrophobicContact CZ-CB 4.43Å; F280-R480 HydrophobicContact CZ-CG 4.37Å; D321-R480 IonicContact OD2-CZ 3.41Å; D321-R480 IonicContact OD2-NH1 2.87Å; D321-R480 PolarHBondContact OD2-NH1 3.44Å; D321-R480 IonicContact OD2-NH2 3.47Å; D321-R480 PolarHBondContact OD2-NH2 3.44Å; R480-E482 VanDerWaalsContact C-N 3.31Å; R480-E482 PolarHBondContact O-N 3.08Å; R480-L483 WeakPolarHBondContact O-CB 3.46Å; R480-L483 PolarHBondContact O-N 3.15Å; R480-K484 PolarHBondContact O-N 2.75Å
481E95.7Very high94.4Very high115 Ų11558 Ų5854%0.53731%0.311SS..Hα-helixtrans-64.6-35.9176-69.265.2-14500111.8T479 K485T479-E481 PolarHBondContact O-N 3.18Å; E481-K485 WeakPolarHBondContact O-CG 3.44Å; E481-K485 PolarHBondContact O-N 3.4Å
482E96.3Very high94.3Very high62 Ų6261.3 Ų61.329%0.2933%0.332SS..Hα-helixtrans-63-47.6171.6-175.1-179.4-175.600110.8M478 T479 R480 K484 K485 L486M478-E482 PolarHBondContact N-OE2 2.82Å; T479-E482 WeakPolarHBondContact O-CB 3.26Å; T479-E482 PolarHBondContact O-N 2.65Å; T479-E482 WeakPolarHBondContact OG1-CB 3.34Å; T479-E482 PolarHBondContact OG1-N 3.21Å; T479-E482 VanDerWaalsContact OG1-N 3.16Å; R480-E482 VanDerWaalsContact C-N 3.31Å; R480-E482 PolarHBondContact O-N 3.08Å; E482-K484 VanDerWaalsContact C-N 3.32Å; E482-K484 PolarHBondContact O-N 2.96Å; E482-K485 WeakPolarHBondContact O-CB 3.36Å; E482-K485 PolarHBondContact O-N 2.87Å; E482-L486 PolarHBondContact O-N 3.37Å
483L96.3Very high94.2Very high0 Ų059.5 Ų59.50%032%0.322CS..Hα-helixtrans-59.3-40.7178-55.3-177.5000112.5F275 F280 F468 L472 W477 T479 R480 K485 L486F275-L483 HydrophobicContact CE1-CD1 3.89Å; F280-L483 HydrophobicContact CZ-CD1 4.24Å; F468-L483 HydrophobicContact CB-CD1 3.72Å; F468-L483 HydrophobicContact CB-CD2 4.36Å; F468-L483 HydrophobicContact CD1-CD1 4.41Å; F468-L483 HydrophobicContact CD1-CD2 3.59Å; F468-L483 HydrophobicContact CD2-CB 4.34Å; F468-L483 HydrophobicContact CD2-CD1 3.91Å; F468-L483 HydrophobicContact CD2-CD2 4.3Å; F468-L483 HydrophobicContact CD2-CG 4.41Å; F468-L483 HydrophobicContact CE1-CD2 3.8Å; F468-L483 HydrophobicContact CE2-CB 4.24Å; F468-L483 HydrophobicContact CE2-CD2 4.49Å; F468-L483 HydrophobicContact CG-CD1 3.79Å; F468-L483 HydrophobicContact CG-CD2 3.85Å; F468-L483 HydrophobicContact CG-CG 4.31Å; F468-L483 HydrophobicContact CZ-CB 4.49Å; F468-L483 HydrophobicContact CZ-CD2 4.25Å; L472-L483 HydrophobicContact CD1-CD1 3.81Å; L472-L483 HydrophobicContact CD2-CD1 4.45Å; L472-L483 HydrophobicContact CG-CD1 4.19Å; W477-L483 HydrophobicContact CB-CD2 3.71Å; W477-L483 HydrophobicContact CD2-CD2 3.82Å; W477-L483 HydrophobicContact CE3-CD2 4.24Å; W477-L483 HydrophobicContact CG-CD2 3.58Å; T479-L483 PolarHBondContact O-N 3.45Å; R480-L483 WeakPolarHBondContact O-CB 3.46Å; R480-L483 PolarHBondContact O-N 3.15Å; L483-K485 PolarHBondContact O-N 3.46Å; L483-L486 HydrophobicContact CD2-CD1 4.3Å; L483-L486 WeakPolarHBondContact O-CB 3.47Å; L483-L486 PolarHBondContact O-N 3.15Å
484K94.6Very high94.2Very high69 Ų6962.6 Ų62.630%0.333%0.329SS..Hα-helixtrans-57.1-31.5175.5-72.4-174.8-170.4-173.70112.2C278 F280 D281 R480 E482C278-K484 HydrophobicContact CB-CG 3.98Å; F280-K484 HydrophobicContact CD2-CG 4.3Å; F280-K484 HydrophobicContact CE2-CG 4.21Å; D281-K484 IonicContact OD1-NZ 2.73Å; D281-K484 PolarHBondContact OD1-NZ 2.96Å; D281-K484 IonicContact OD2-NZ 3.19Å; D281-K484 PolarHBondContact OD2-NZ 2.84Å; R480-K484 PolarHBondContact O-N 2.75Å; E482-K484 VanDerWaalsContact C-N 3.32Å; E482-K484 PolarHBondContact O-N 2.96Å
485K94.6Very high94Very high178 Ų17862.2 Ų62.277%0.77433%0.328SS*.Hα-helixtrans-78.4-21.5178.7-64.3172.1-174.6175.50113.3E481 E482 L483 Q487E481-K485 WeakPolarHBondContact O-CG 3.44Å; E481-K485 PolarHBondContact O-N 3.4Å; E482-K485 WeakPolarHBondContact O-CB 3.36Å; E482-K485 PolarHBondContact O-N 2.87Å; L483-K485 PolarHBondContact O-N 3.46Å; K485-Q487 VanDerWaalsContact C-N 3.27Å
486L93.2Very high93.5Very high46 Ų4666.9 Ų66.924%0.24134%0.337CS..Hα-helixtrans-79.6-12.6177.2-59.6177.3000112.3A34 F468 W477 E482 L483A34-L486 HydrophobicContact CB-CB 4.16Å; A34-L486 HydrophobicContact CB-CD1 3.98Å; F468-L486 HydrophobicContact CE1-CD1 4.32Å; W477-L486 VanDerWaalsContact NE1-CD1 3.33Å; E482-L486 PolarHBondContact O-N 3.37Å; L483-L486 HydrophobicContact CD2-CD1 4.3Å; L483-L486 WeakPolarHBondContact O-CB 3.47Å; L483-L486 PolarHBondContact O-N 3.15Å
487Q87.3Confident92Very high50 Ų5068.5 Ų68.523%0.23436%0.356CS..  trans-69.1132.9178.4-61.9-156.7-46.200112.4G276 E277 C278 K485G276-Q487 PolarHBondContact O-NE2 2.86Å; E277-Q487 PolarHBondContact O-NE2 2.9Å; C278-Q487 HydrophobicContact CB-CG 4.33Å; C278-Q487 VanDerWaalsContact SG-CD 3.59Å; C278-Q487 PolarHBondContact SG-NE2 2.91Å; K485-Q487 VanDerWaalsContact C-N 3.27Å
488S85.3Confident89.8Confident39 Ų3974.1 Ų74.127%0.27340%0.403SS..  trans-121.7147.1169.460.80000111.4P456 Q457P456-S488 WeakPolarHBondContact CA-O 3.45Å; Q457-S488 WeakPolarHBondContact CB-OG 3.25Å; Q457-S488 PolarHBondContact N-O 3.18Å; Q457-S488 VanDerWaalsContact N-O 3.08Å; Q457-S488 PolarHBondContact OE1-OG 3.13Å
489A88.4Confident87.8Confident51 Ų5170.6 Ų70.642%0.42140%0.396SS..EExtended strand (participates in β ladder)trans-103.1134.5175.400000109.8I454 V492I454-A489 HydrophobicContact CG2-CB 3.65Å; A489-V492 HydrophobicContact CB-CG2 4.38Å
490D90.6Very high86Confident84 Ų8468.8 Ų68.845%0.44939%0.39SS..EExtended strand (participates in β ladder)trans-74.4-54.2165.1169.748.3000109.3R455 P456R455-D490 IonicContact CZ-OD2 2.95Å; R455-D490 IonicContact NE-OD2 2.82Å; R455-D490 PolarHBondContact NE-OD2 2.69Å; R455-D490 IonicContact NH2-OD2 2.81Å; R455-D490 PolarHBondContact NH2-OD2 3.04Å; R455-D490 PolarHBondContact O-N 3.26Å; P456-D490 WeakPolarHBondContact O-CB 3.43Å
491K94.5Very high84.3Confident83 Ų8369.7 Ų69.736%0.36140%0.403SS..EExtended strand (participates in β ladder)trans-147.2140.9-175-168163.6177174.20112N439 R455 F493N439-K491 PolarHBondContact ND2-NZ 2.95Å; R455-K491 PolarHBondContact N-O 3.04Å; R455-K491 PolarHBondContact O-N 2.93Å; K491-F493 HydrophobicContact CB-CE2 3.87Å; K491-F493 HydrophobicContact CB-CZ 4.14Å; K491-F493 HydrophobicContact CD-CE1 3.97Å; K491-F493 HydrophobicContact CD-CE2 4.14Å; K491-F493 HydrophobicContact CD-CZ 3.58Å; K491-F493 HydrophobicContact CG-CD2 4.37Å; K491-F493 HydrophobicContact CG-CE1 4.29Å; K491-F493 HydrophobicContact CG-CE2 3.79Å; K491-F493 HydrophobicContact CG-CZ 3.77Å
492V96.4Very high82.7Confident70 Ų7064.5 Ų64.542%0.42438%0.38SS..EExtended strand (participates in β ladder)trans-110.4124.8174.3-179.20000108.5K452 I454 A489 L494K452-V492 HydrophobicContact CD-CG1 3.58Å; K452-V492 HydrophobicContact CG-CG1 3.59Å; I454-V492 HydrophobicContact CG1-CG2 4.48Å; I454-V492 HydrophobicContact CG2-CG2 4.14Å; A489-V492 HydrophobicContact CB-CG2 4.38Å; V492-L494 HydrophobicContact CG1-CD2 4.19Å; V492-L494 HydrophobicContact CG1-CG 4.41Å
493F96.4Very high81.4Confident2 Ų266.7 Ų66.71%0.00939%0.391CS..EExtended strand (participates in β ladder)trans-103.2116.2177.2-58.6-97.2000108.2N439 L442 Q443 A446 K452 V453 R455 K491N439-F493 HydrophobicContact CB-CE1 4.3Å; L442-F493 HydrophobicContact CB-CD1 3.88Å; L442-F493 HydrophobicContact CB-CD2 3.93Å; L442-F493 HydrophobicContact CB-CE1 3.66Å; L442-F493 HydrophobicContact CB-CE2 3.75Å; L442-F493 HydrophobicContact CB-CG 4Å; L442-F493 HydrophobicContact CB-CZ 3.6Å; L442-F493 HydrophobicContact CD1-CD2 4.01Å; L442-F493 HydrophobicContact CD1-CE1 4.47Å; L442-F493 HydrophobicContact CD1-CE2 3.3Å; L442-F493 HydrophobicContact CD1-CZ 3.57Å; L442-F493 HydrophobicContact CG-CE2 4.19Å; L442-F493 HydrophobicContact CG-CZ 4.19Å; Q443-F493 HydrophobicContact CB-CD1 4.12Å; A446-F493 HydrophobicContact CB-CB 3.91Å; K452-F493 WeakPolarHBondContact CA-O 3.21Å; V453-F493 HydrophobicContact CB-CB 4.36Å; V453-F493 PolarHBondContact N-O 3.39Å; V453-F493 PolarHBondContact O-N 2.66Å; R455-F493 HydrophobicContact CB-CE2 4.15Å; K491-F493 HydrophobicContact CB-CE2 3.87Å; K491-F493 HydrophobicContact CB-CZ 4.14Å; K491-F493 HydrophobicContact CD-CE1 3.97Å; K491-F493 HydrophobicContact CD-CE2 4.14Å; K491-F493 HydrophobicContact CD-CZ 3.58Å; K491-F493 HydrophobicContact CG-CD2 4.37Å; K491-F493 HydrophobicContact CG-CE1 4.29Å; K491-F493 HydrophobicContact CG-CE2 3.79Å; K491-F493 HydrophobicContact CG-CZ 3.77Å
494L95.6Very high80.5Confident104 Ų10473.8 Ų73.855%0.54542%0.424SS..PPolyproline II helixtrans-100.6142.8174.4-62.9176.5000108.9Q443 K452 V492 K496Q443-L494 PolarHBondContact NE2-O 3.37Å; K452-L494 HydrophobicContact CB-CD2 4.01Å; K452-L494 HydrophobicContact CD-CD2 4.09Å; K452-L494 HydrophobicContact CG-CD2 3.86Å; V492-L494 HydrophobicContact CG1-CD2 4.19Å; V492-L494 HydrophobicContact CG1-CG 4.41Å; L494-K496 PolarHBondContact O-N 2.83Å
495P92.4Very high80.1Confident45 Ų4572.5 Ų72.529%0.29242%0.417SS..PPolyproline II helixtrans-60.2133177.724.5-33000110.7D447 P501D447-P495 VanDerWaalsContact OD1-CA 3.29Å; D447-P495 WeakPolarHBondContact OD1-CA 3.3Å; P495-P501 HydrophobicContact CB-CB 4.06Å; P495-P501 HydrophobicContact CB-CG 4.42Å
496K85.1Confident79.7Confident136 Ų13667.5 Ų67.559%0.59140%0.399SS*.  trans-111.2142.9176.9-64.7175.9-176.31710109.7Q443 D447 L494Q443-K496 HydrophobicContact CG-CD 4.44Å; Q443-K496 VanDerWaalsContact OE1-CE 3.23Å; Q443-K496 VanDerWaalsContact OE1-NZ 3.14Å; D447-K496 PolarHBondContact OD1-N 3.25Å; L494-K496 PolarHBondContact O-N 2.83Å
497G65.8Low79.6Confident43 Ų4369.1 Ų69.144%0.44341%0.412SS..  trans150.2122.5174.900000113.3A499 G500G497-A499 VanDerWaalsContact C-N 3.33Å; G497-A499 PolarHBondContact O-N 3.01Å; G497-G500 PolarHBondContact O-N 2.88Å
498A50.1Low79.8Confident119 Ų11968.7 Ų68.798%0.98341%0.413SS*.THydrogen-bonded Turntrans-70.1-26.7-179.300000113.5G500A498-G500 VanDerWaalsContact C-N 3.34Å
499A53.7Low80.2Confident67 Ų6767.5 Ų67.555%0.55440%0.404SS*.THydrogen-bonded Turntrans-86.1-1.6178.700000113.9G497 Q503G497-A499 VanDerWaalsContact C-N 3.33Å; G497-A499 PolarHBondContact O-N 3.01Å; A499-Q503 HydrophobicContact CB-CB 4.28Å; A499-Q503 PolarHBondContact O-NE2 3.45Å; A499-Q503 PolarHBondContact O-OE1 3.12Å
500G59.7Low80.4Confident24 Ų2470.9 Ų70.925%0.24741%0.411CS..SBendtrans107.1157.4-17000000112G497 A498 G502 Q503G497-G500 PolarHBondContact O-N 2.88Å; A498-G500 VanDerWaalsContact C-N 3.34Å; G500-G502 PolarHBondContact O-N 3.4Å; G500-Q503 PolarHBondContact O-N 3.4Å
501P58.9Low80.7Confident76 Ų7669.3 Ų69.349%0.49441%0.406SS..THydrogen-bonded Turntrans-60.5125.3-168.9-21.231.2000113.2D447 P495 Q503D447-P501 CarbonylContact O-C 3.39Å; P495-P501 HydrophobicContact CB-CB 4.06Å; P495-P501 HydrophobicContact CB-CG 4.42Å; P501-Q503 PolarHBondContact O-N 2.85Å; P501-Q503 VanDerWaalsContact O-N 3.16Å
502G61.8Low80.8Confident6 Ų665.5 Ų65.56%0.06239%0.39CS..THydrogen-bonded Turntrans73.6-2.8173.300000116.2D447 G500 E504 Y505 N506D447-G502 WeakPolarHBondContact O-CA 3.46Å; D447-G502 PolarHBondContact O-N 3.29Å; D447-G502 VanDerWaalsContact O-N 3.12Å; G500-G502 PolarHBondContact O-N 3.4Å; G502-E504 VanDerWaalsContact C-N 3.28Å; G502-E504 PolarHBondContact O-N 3.24Å; G502-Y505 PolarHBondContact O-N 3.04Å; G502-Y505 VanDerWaalsContact O-N 3.08Å; G502-N506 PolarHBondContact O-N 3.44Å
503Q69.6Low80.8Confident108 Ų10864.6 Ų64.651%0.50538%0.381SS..G310 helixtrans-62.4-34.5-175.8-73.2-162.22.100113.5A499 G500 P501 Y505 N506A499-Q503 HydrophobicContact CB-CB 4.28Å; A499-Q503 PolarHBondContact O-NE2 3.45Å; A499-Q503 PolarHBondContact O-OE1 3.12Å; G500-Q503 PolarHBondContact O-N 3.4Å; P501-Q503 PolarHBondContact O-N 2.85Å; P501-Q503 VanDerWaalsContact O-N 3.16Å; Q503-Y505 PolarHBondContact O-N 3.43Å; Q503-N506 WeakPolarHBondContact O-CB 3.44Å; Q503-N506 PolarHBondContact O-N 2.94Å
504E77.6Confident80.8Confident150 Ų15071 Ų7170%0.70141%0.405SS*.G310 helixtrans-62.8-30.1177-171.4175.3-179.500112.5G502 P507G502-E504 VanDerWaalsContact C-N 3.28Å; G502-E504 PolarHBondContact O-N 3.24Å; E504-P507 WeakPolarHBondContact O-CD 3.47Å
505Y84.9Confident80.9Confident41 Ų4166.1 Ų66.116%0.16138%0.38CS..G310 helixtrans-89.3-6.4-178.9-70.1-78.7000113.7L444 G502 Q503 V508 L509L444-Y505 HydrophobicContact CD1-CD1 3.72Å; L444-Y505 HydrophobicContact CD1-CD2 3.71Å; L444-Y505 HydrophobicContact CD1-CE1 3.63Å; L444-Y505 HydrophobicContact CD1-CE2 3.61Å; L444-Y505 HydrophobicContact CD1-CG 3.76Å; G502-Y505 PolarHBondContact O-N 3.04Å; G502-Y505 VanDerWaalsContact O-N 3.08Å; Q503-Y505 PolarHBondContact O-N 3.43Å; Y505-V508 PolarHBondContact O-N 2.97Å; Y505-V508 VanDerWaalsContact O-N 3.15Å; Y505-L509 WeakPolarHBondContact O-CB 3.38Å; Y505-L509 PolarHBondContact O-N 2.83Å
506N86.3Confident81.1Confident74 Ų7464.1 Ų64.140%0.39637%0.366SS..Hα-helixtrans-55.6-45.6-179.5-75.9-21.4000113.3G502 Q503 V508 L509 Q510G502-N506 PolarHBondContact O-N 3.44Å; Q503-N506 WeakPolarHBondContact O-CB 3.44Å; Q503-N506 PolarHBondContact O-N 2.94Å; N506-V508 VanDerWaalsContact C-N 3.32Å; N506-V508 PolarHBondContact O-N 3.4Å; N506-L509 PolarHBondContact O-N 2.85Å; N506-Q510 WeakPolarHBondContact O-CB 3.5Å; N506-Q510 VanDerWaalsContact O-CG 3.25Å; N506-Q510 WeakPolarHBondContact O-CG 3.13Å; N506-Q510 PolarHBondContact O-N 3.04Å
507P90.5Very high81.6Confident79 Ų7965.5 Ų65.551%0.51337%0.368SS..Hα-helixtrans-64.2-37.1178-21.834.7000113E504 S511E504-P507 WeakPolarHBondContact O-CD 3.47Å; P507-S511 WeakPolarHBondContact O-CB 3.43Å; P507-S511 PolarHBondContact O-N 3.14Å; P507-S511 PolarHBondContact O-OG 2.9Å
508V91.9Very high83.1Confident42 Ų4270.7 Ų70.726%0.25537%0.374SS..Hα-helixtrans-68.5-47.3178.4-173.40000110F409 Y505 N506 Q510 S511 W512F409-V508 HydrophobicContact CE2-CG1 4.11Å; F409-V508 HydrophobicContact CZ-CB 4.37Å; F409-V508 HydrophobicContact CZ-CG1 3.77Å; Y505-V508 PolarHBondContact O-N 2.97Å; Y505-V508 VanDerWaalsContact O-N 3.15Å; N506-V508 VanDerWaalsContact C-N 3.32Å; N506-V508 PolarHBondContact O-N 3.4Å; V508-Q510 VanDerWaalsContact C-N 3.35Å; V508-Q510 PolarHBondContact O-N 3.27Å; V508-S511 WeakPolarHBondContact O-CB 3.42Å; V508-S511 PolarHBondContact O-N 3.2Å; V508-S511 VanDerWaalsContact O-N 3.11Å; V508-W512 WeakPolarHBondContact O-CB 3.32Å; V508-W512 PolarHBondContact O-N 2.93Å
509L93.3Very high85.2Confident14 Ų1465 Ų657%0.07333%0.328CS..Hα-helixtrans-59.6-43.5176.4179.663.4000111.6F409 K412 Y505 N506 S511 W512 E513F409-L509 HydrophobicContact CB-CD1 3.77Å; F409-L509 HydrophobicContact CD1-CB 4.5Å; F409-L509 HydrophobicContact CD1-CD1 3.62Å; F409-L509 HydrophobicContact CD2-CD1 4.42Å; F409-L509 HydrophobicContact CE1-CB 4.38Å; F409-L509 HydrophobicContact CE1-CD1 4.32Å; F409-L509 HydrophobicContact CG-CD1 3.69Å; K412-L509 HydrophobicContact CG-CD2 4.19Å; Y505-L509 WeakPolarHBondContact O-CB 3.38Å; Y505-L509 PolarHBondContact O-N 2.83Å; N506-L509 PolarHBondContact O-N 2.85Å; L509-S511 VanDerWaalsContact C-N 3.3Å; L509-S511 PolarHBondContact O-N 3.45Å; L509-W512 HydrophobicContact CD1-CE3 3.9Å; L509-W512 HydrophobicContact CD1-CZ3 4.27Å; L509-W512 PolarHBondContact O-N 3.26Å; L509-E513 WeakPolarHBondContact O-CG 3.49Å; L509-E513 PolarHBondContact O-N 2.93Å
510Q94.4Very high87.2Confident122 Ų12264.1 Ų64.157%0.5731%0.312SS*.Hα-helixtrans-63.1-36.2175.5-74.6175.28.500112.7N506 V508 R514N506-Q510 WeakPolarHBondContact O-CB 3.5Å; N506-Q510 VanDerWaalsContact O-CG 3.25Å; N506-Q510 WeakPolarHBondContact O-CG 3.13Å; N506-Q510 PolarHBondContact O-N 3.04Å; V508-Q510 VanDerWaalsContact C-N 3.35Å; V508-Q510 PolarHBondContact O-N 3.27Å; Q510-R514 PolarHBondContact O-N 3.03Å; Q510-R514 VanDerWaalsContact O-N 3.14Å
511S95.4Very high88.7Confident51 Ų5167.3 Ų67.336%0.35732%0.324SS..Hα-helixtrans-68.5-42.6176.2-60.40000110.7P507 V508 L509 R514 A515P507-S511 WeakPolarHBondContact O-CB 3.43Å; P507-S511 PolarHBondContact O-N 3.14Å; P507-S511 PolarHBondContact O-OG 2.9Å; V508-S511 WeakPolarHBondContact O-CB 3.42Å; V508-S511 PolarHBondContact O-N 3.2Å; V508-S511 VanDerWaalsContact O-N 3.11Å; L509-S511 VanDerWaalsContact C-N 3.3Å; L509-S511 PolarHBondContact O-N 3.45Å; S511-R514 VanDerWaalsContact O-CB 3.32Å; S511-R514 WeakPolarHBondContact O-CB 3.34Å; S511-R514 PolarHBondContact O-N 2.81Å; S511-A515 PolarHBondContact O-N 3.08Å
512W97.1Very high90.2Very high2 Ų271.9 Ų71.91%0.00833%0.331CS..Hα-helixtrans-63.9-42.6174.3177.388.6000112.5F367 S406 F409 R410 Q413 V508 L509 R514 A515 L516F367-W512 VanDerWaalsContact O-CD1 3.28Å; F367-W512 PolarHBondContact O-NE1 2.73Å; S406-W512 PolarHBondContact OG-NE1 2.8Å; F409-W512 HydrophobicContact CB-CD2 3.8Å; F409-W512 HydrophobicContact CB-CE3 3.73Å; F409-W512 HydrophobicContact CB-CG 4.49Å; F409-W512 HydrophobicContact CB-CH2 3.88Å; F409-W512 HydrophobicContact CB-CZ2 3.97Å; F409-W512 HydrophobicContact CB-CZ3 3.77Å; F409-W512 HydrophobicContact CD2-CB 3.79Å; F409-W512 AromaticContact CD2-CD1 3.69Å; F409-W512 AromaticContact CD2-CD2 3.65Å; F409-W512 HydrophobicContact CD2-CD2 3.65Å; F409-W512 HydrophobicContact CD2-CE3 4.21Å; F409-W512 AromaticContact CD2-CG 3.42Å; F409-W512 HydrophobicContact CD2-CG 3.42Å; F409-W512 VanDerWaalsContact CD2-CG 3.42Å; F409-W512 HydrophobicContact CE2-CB 3.94Å; F409-W512 HydrophobicContact CE2-CG 4.02Å; F409-W512 HydrophobicContact CG-CD2 4.12Å; F409-W512 HydrophobicContact CG-CE3 4.26Å; F409-W512 HydrophobicContact CG-CG 4.32Å; R410-W512 HydrophobicContact CG-CH2 4.11Å; R410-W512 HydrophobicContact CG-CZ2 3.94Å; Q413-W512 HydrophobicContact CG-CH2 4.46Å; Q413-W512 HydrophobicContact CG-CZ3 4.16Å; Q413-W512 VanDerWaalsContact OE1-CH2 3.27Å; V508-W512 WeakPolarHBondContact O-CB 3.32Å; V508-W512 PolarHBondContact O-N 2.93Å; L509-W512 HydrophobicContact CD1-CE3 3.9Å; L509-W512 HydrophobicContact CD1-CZ3 4.27Å; L509-W512 PolarHBondContact O-N 3.26Å; W512-R514 PolarHBondContact O-N 3.3Å; W512-A515 WeakPolarHBondContact O-CB 3.39Å; W512-A515 PolarHBondContact O-N 3.23Å; W512-A515 VanDerWaalsContact O-N 3.08Å; W512-L516 HydrophobicContact CH2-CD1 3.28Å; W512-L516 HydrophobicContact CZ2-CD1 3.64Å; W512-L516 HydrophobicContact CZ3-CD1 3.8Å; W512-L516 WeakPolarHBondContact O-CB 3.5Å; W512-L516 PolarHBondContact O-N 3.19Å
513E95.9Very high91.2Very high51 Ų5177.7 Ų77.724%0.23835%0.352CS..Hα-helixtrans-60.2-34.2174-77.2-168.5162.900112.1L509 L516 R517L509-E513 WeakPolarHBondContact O-CG 3.49Å; L509-E513 PolarHBondContact O-N 2.93Å; E513-L516 PolarHBondContact O-N 2.9Å; E513-R517 WeakPolarHBondContact O-CG 3.41Å; E513-R517 PolarHBondContact O-N 3.08Å; E513-R517 IonicContact OE2-NH2 3.57Å
514R96.8Very high91.7Very high136 Ų13681.9 Ų81.951%0.51337%0.369SS..Hα-helixtrans-68.6-40.7175-156.6-171.6-47.9-1626.6111.5Q510 S511 W512 R518Q510-R514 PolarHBondContact O-N 3.03Å; Q510-R514 VanDerWaalsContact O-N 3.14Å; S511-R514 VanDerWaalsContact O-CB 3.32Å; S511-R514 WeakPolarHBondContact O-CB 3.34Å; S511-R514 PolarHBondContact O-N 2.81Å; W512-R514 PolarHBondContact O-N 3.3Å; R514-R518 WeakPolarHBondContact O-CG 3.19Å; R514-R518 PolarHBondContact O-N 3.19Å
515A97.2Very high90.9Very high2 Ų280.1 Ų80.12%0.01737%0.37CS..Hα-helixtrans-63.2-43.8172.600000111C366 V368 M388 S511 W512 R517 R518 S519C366-A515 HydrophobicContact CB-CB 3.58Å; V368-A515 HydrophobicContact CG2-CB 4.11Å; M388-A515 HydrophobicContact CB-CB 4.33Å; M388-A515 HydrophobicContact CG-CB 4.46Å; M388-A515 HydrophobicContact SD-CB 4Å; S511-A515 PolarHBondContact O-N 3.08Å; W512-A515 WeakPolarHBondContact O-CB 3.39Å; W512-A515 PolarHBondContact O-N 3.23Å; W512-A515 VanDerWaalsContact O-N 3.08Å; A515-R517 PolarHBondContact O-N 3.08Å; A515-R518 WeakPolarHBondContact O-CB 3.44Å; A515-R518 PolarHBondContact O-N 3.19Å; A515-R518 VanDerWaalsContact O-N 3.08Å; A515-S519 PolarHBondContact O-N 3.46Å; A515-S519 VanDerWaalsContact O-N 3.08Å
516L96.3Very high91.2Very high3 Ų382.1 Ų82.12%0.01638%0.381CS..Hα-helixtrans-59.6-45.6176.8-177.5149000112.1V368 L374 L378 W512 E513 R518 S519 M520V368-L516 HydrophobicContact CG1-CB 4.26Å; V368-L516 HydrophobicContact CG1-CD1 4.33Å; V368-L516 HydrophobicContact CG1-CG 4.15Å; V368-L516 HydrophobicContact CG2-CB 4.13Å; L374-L516 HydrophobicContact CD1-CD1 4.4Å; L374-L516 HydrophobicContact CD1-CD2 3.99Å; L374-L516 HydrophobicContact CD1-CG 3.91Å; L374-L516 HydrophobicContact CD2-CD1 4.19Å; L378-L516 HydrophobicContact CD1-CD1 4.44Å; L378-L516 HydrophobicContact CD1-CD2 3.87Å; L378-L516 HydrophobicContact CD2-CD2 3.34Å; L378-L516 HydrophobicContact CG-CD2 4.25Å; W512-L516 HydrophobicContact CH2-CD1 3.28Å; W512-L516 HydrophobicContact CZ2-CD1 3.64Å; W512-L516 HydrophobicContact CZ3-CD1 3.8Å; W512-L516 WeakPolarHBondContact O-CB 3.5Å; W512-L516 PolarHBondContact O-N 3.19Å; E513-L516 PolarHBondContact O-N 2.9Å; L516-R518 PolarHBondContact O-N 2.74Å; L516-S519 PolarHBondContact O-N 3.11Å; L516-S519 VanDerWaalsContact O-N 3.11Å; L516-S519 PolarHBondContact O-OG 3Å; L516-M520 WeakPolarHBondContact O-CG 3.32Å; L516-M520 PolarHBondContact O-N 3.48Å
517R96.4Very high91.4Very high166 Ų16682.5 Ų82.563%0.62638%0.38SS*.Hα-helixtrans-62.6-31.4175.3-72.5177.3-164154.112.2113E513 A515 S519E513-R517 WeakPolarHBondContact O-CG 3.41Å; E513-R517 PolarHBondContact O-N 3.08Å; E513-R517 IonicContact OE2-NH2 3.57Å; A515-R517 PolarHBondContact O-N 3.08Å; R517-S519 VanDerWaalsContact C-N 3.32Å
518R96.7Very high91.5Very high152 Ų15282.7 Ų82.757%0.57437%0.373SS*.Hα-helixtrans-75.5-21.1176.8-72.1173.7-179.9140.5-6.6113M388 R514 A515 L516 M520M388-R518 HydrophobicContact CE-CB 3.76Å; M388-R518 HydrophobicContact SD-CB 4.01Å; R514-R518 WeakPolarHBondContact O-CG 3.19Å; R514-R518 PolarHBondContact O-N 3.19Å; A515-R518 WeakPolarHBondContact O-CB 3.44Å; A515-R518 PolarHBondContact O-N 3.19Å; A515-R518 VanDerWaalsContact O-N 3.08Å; L516-R518 PolarHBondContact O-N 2.74Å; R518-M520 VanDerWaalsContact C-N 3.34Å
519S95.7Very high91.5Very high0 Ų085.1 Ų85.10%038%0.38CS..Hα-helixtrans-84.1-12.7177.785.70000113.2A383 C384 S386 A515 L516 R517A383-S519 CarbonylContact C-O 3.54Å; A383-S519 WeakPolarHBondContact CA-O 3.47Å; C384-S519 PolarHBondContact N-O 3.29Å; C384-S519 VanDerWaalsContact O-CB 3.3Å; C384-S519 WeakPolarHBondContact O-CB 3.12Å; S386-S519 WeakPolarHBondContact OG-CB 3.34Å; A515-S519 PolarHBondContact O-N 3.46Å; A515-S519 VanDerWaalsContact O-N 3.08Å; L516-S519 PolarHBondContact O-N 3.11Å; L516-S519 VanDerWaalsContact O-N 3.11Å; L516-S519 PolarHBondContact O-OG 3Å; R517-S519 VanDerWaalsContact C-N 3.32Å
520M95Very high91.3Very high48 Ų4889.6 Ų89.624%0.23640%0.399CS..THydrogen-bonded Turntrans-71.5153.2179.8-68.3179.477.400113.2L374 L378 D380 L516 R518 W522L374-M520 HydrophobicContact CD1-CG 3.94Å; L378-M520 HydrophobicContact CB-CE 4.22Å; L378-M520 HydrophobicContact CD2-CE 3.82Å; L378-M520 HydrophobicContact CD2-SD 3.44Å; L378-M520 WeakPolarHBondContact CD2-SD 3.06Å; D380-M520 HydrophobicContact CB-CE 3.85Å; D380-M520 WeakPolarHBondContact OD2-CA 3.16Å; D380-M520 WeakPolarHBondContact OD2-CB 3.36Å; L516-M520 WeakPolarHBondContact O-CG 3.32Å; L516-M520 PolarHBondContact O-N 3.48Å; R518-M520 VanDerWaalsContact C-N 3.34Å; M520-W522 PolarHBondContact O-N 3.16Å; M520-W522 VanDerWaalsContact O-N 3.16Å
521N91.7Very high91.1Very high90 Ų9087.4 Ų87.448%0.48139%0.387SS..THydrogen-bonded Turntrans53.531.1176.3-53.8-67.5000113.8D380 R382D380-N521 PolarHBondContact OD2-N 2.67Å; R382-N521 PolarHBondContact NH2-OD1 3.1Å
522W90.7Very high90.8Very high172 Ų17290 Ų9065%0.65239%0.389SS*.  trans-75.2-49.7-176179.4-96.1000112.3R382 C384 M520R382-W522 PolarHBondContact O-N 3.06Å; C384-W522 HydrophobicContact CB-CB 3.79Å; C384-W522 VanDerWaalsContact CB-CD1 3.42Å; C384-W522 HydrophobicContact CB-CD2 4.44Å; C384-W522 HydrophobicContact CB-CG 3.61Å; C384-W522 VanDerWaalsContact SG-CB 3.59Å; M520-W522 PolarHBondContact O-N 3.16Å; M520-W522 VanDerWaalsContact O-N 3.16Å
523Y82.1Confident90.4Very high129 Ų12996.8 Ų96.851%0.50642%0.419SS..SBendtrans-80.6148.3-179.4-62-66.6000111.9R382 C384R382-Y523 WeakPolarHBondContact CD-O 3.48Å; R382-Y523 WeakPolarHBondContact O-CD2 3.43Å; R382-Y523 PolarHBondContact O-N 3.04Å; C384-Y523 HydrophobicContact CB-CD2 4.24Å; C384-Y523 HydrophobicContact CB-CE2 3.47Å; C384-Y523 VanDerWaalsContact CB-CE2 3.47Å
524K80.1Confident89.9Confident196 Ų196100.6 Ų100.685%0.85243%0.434SS*.  trans-70.3152.6176.1-71.2-176.4-179.4177.60111.1
525P60.1Low89.3Confident113 Ų11397.4 Ų97.473%0.73443%0.427SS*.  trans-65.70-176.1-17.430000116K122K122-P525 WeakPolarHBondContact CE-OXT 3.44Å; K122-P525 PolarHBondContact NZ-OXT 3.14Å

Retrieved 525 of 525 residues in 125.4 ms (Link to these results)

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