A0A5K4FFP1_SCHMA Loading...

Ras-related protein Rab-3

AlphaFold DB , UniProt , Accession A0A5K4FFP1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 217 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.1Very low51.2Low245 Ų245145.2 Ų145.2100%1.20778%0.775SS**  0101.50-72.217817600108.5
2S41.4Very low54.1Low110 Ų110139 Ų13977%0.76974%0.737SS**  trans-178.475.5160.857.70000110.2
3H39.4Very low56.9Low200 Ų200134.3 Ų134.393%0.92671%0.712SS**  trans-117.185.1161.6-83.1-61.6000107.4
4S47Very low59.5Low113 Ų113131.1 Ų131.179%0.7969%0.686SS**  trans-158.228.4174.154.80000114.4
5R46.2Very low61.8Low228 Ų228128.1 Ų128.186%0.8667%0.669SS**SBendtrans-107.4-7.6174.8-80.2-170.2178.1-176.90116.8
6D49.6Very low64Low134 Ų134120.2 Ų120.272%0.71763%0.627SS**SBendtrans-103.3-8.3-170.9-73.1-24.3000116.6
7A49.7Very low65.8Low86 Ų86115.4 Ų115.471%0.71160%0.6SS**SBendtrans-81.3-27.9-176.600000113.9D9A7-D9 VanDerWaalsContact C-N 3.34Å; A7-D9 PolarHBondContact O-N 3.5Å
8T51.4Low67.6Low105 Ų105108.9 Ų108.964%0.64457%0.567SS**THydrogen-bonded Turntrans-75.7-23.1-175.947.60000113.4R63T8-R63 PolarHBondContact O-NH1 2.88Å
9D57.4Low69.1Low96 Ų96103.2 Ų103.251%0.51354%0.537SS..THydrogen-bonded Turntrans-85.9-14.1-173.7-149.62.8000113.3A7 K65A7-D9 VanDerWaalsContact C-N 3.34Å; A7-D9 PolarHBondContact O-N 3.5Å; D9-K65 PolarHBondContact O-NZ 3.12Å; D9-K65 IonicContact OD1-NZ 3.36Å; D9-K65 PolarHBondContact OD1-NZ 3.34Å; D9-K65 IonicContact OD2-NZ 2.82Å
10Q64.9Low70.5Confident159 Ų15998.1 Ų98.174%0.74351%0.51SS*.SBendtrans-83.9-19.8174.5-66.9-170.317.400113.5F12Q10-F12 PolarHBondContact O-N 3.19Å
11N81.4Confident71.7Confident121 Ų12193.4 Ų93.465%0.64749%0.486SS*.  trans-86.897.4-176.5-14723.2000108.5R63N11-R63 WeakPolarHBondContact O-CD 3.35Å; N11-R63 PolarHBondContact O-NH1 3.29Å
12F85.6Confident74.6Confident71 Ų7181.7 Ų81.731%0.31143%0.428SS..  trans-139.5148.5169.562.2-96000109.1Q10 Y14 M15 R63 K65Q10-F12 PolarHBondContact O-N 3.19Å; F12-Y14 VanDerWaalsContact CD2-O 3.28Å; F12-Y14 WeakPolarHBondContact CD2-O 3.47Å; F12-M15 HydrophobicContact CD2-CB 4.16Å; F12-M15 HydrophobicContact CE2-CB 3.56Å; F12-M15 HydrophobicContact CZ-CB 4.12Å; F12-M15 HydrophobicContact CZ-SD 4.2Å; F12-R63 HydrophobicContact CB-CG 4.39Å; F12-K65 HydrophobicContact CB-CB 4.22Å; F12-K65 HydrophobicContact CD1-CB 4.32Å; F12-K65 HydrophobicContact CD1-CD 4.04Å; F12-K65 HydrophobicContact CD2-CB 4.33Å; F12-K65 HydrophobicContact CE1-CD 4.17Å; F12-K65 HydrophobicContact CG-CB 4.03Å
13D90.9Very high77.2Confident78 Ų7878 Ų7842%0.41740%0.4SS..SBendtrans-80.7-40.9178.9-61.5-92.8000111.2K62 R63D13-K62 HydrophobicContact CB-CB 4.11Å; D13-K62 HydrophobicContact CB-CD 3.89Å; D13-K62 WeakPolarHBondContact OD1-CD 3.07Å; D13-K62 IonicContact OD1-NZ 3.12Å; D13-K62 PolarHBondContact OD1-NZ 3.48Å; D13-K62 WeakPolarHBondContact OD2-CA 3.21Å; D13-R63 PolarHBondContact N-O 2.91Å; D13-R63 PolarHBondContact OD2-N 2.69Å
14Y93.2Very high79.7Confident90 Ų9069.7 Ų69.735%0.35336%0.364SS..EExtended strand (participates in β ladder)trans-136.9150.4-175.9-59.9-62.4000112.1F12 F16 K62 R63 V64 K65F12-Y14 VanDerWaalsContact CD2-O 3.28Å; F12-Y14 WeakPolarHBondContact CD2-O 3.47Å; Y14-F16 HydrophobicContact CG-CE1 4.14Å; Y14-F16 HydrophobicContact CG-CZ 4.33Å; Y14-K62 HydrophobicContact CD2-CB 4.15Å; Y14-K62 HydrophobicContact CD2-CG 4.49Å; Y14-K62 HydrophobicContact CE2-CB 4.1Å; Y14-K62 HydrophobicContact CE2-CD 4.29Å; Y14-K62 HydrophobicContact CE2-CG 3.94Å; Y14-R63 PolarHBondContact N-O 3.39Å; Y14-V64 HydrophobicContact CD2-CG2 4.36Å; Y14-V64 CarbonylContact O-C 3.55Å; Y14-V64 WeakPolarHBondContact O-CA 3.4Å; Y14-K65 PolarHBondContact O-N 3.18Å
15M94.2Very high81.9Confident86 Ų8666.7 Ų66.742%0.42434%0.343SS..EExtended strand (participates in β ladder)trans-127.5118172.8-180167.364.300109.9F12 K65 Q67F12-M15 HydrophobicContact CD2-CB 4.16Å; F12-M15 HydrophobicContact CE2-CB 3.56Å; F12-M15 HydrophobicContact CZ-CB 4.12Å; F12-M15 HydrophobicContact CZ-SD 4.2Å; M15-K65 CarbonylContact C-O 3.59Å; M15-K65 VanDerWaalsContact CA-O 3.25Å; M15-K65 WeakPolarHBondContact CA-O 3.24Å; M15-Q67 HydrophobicContact CG-CG 3.97Å; M15-Q67 HydrophobicContact SD-CG 4.06Å; M15-Q67 PolarHBondContact SD-NE2 3.14Å
16F96Very high84.3Confident1 Ų155.9 Ų55.90%0.00430%0.302CS..EExtended strand (participates in β ladder)trans-110.3127.1-177.2-62.4-11.5000111.1Y14 L18 V64 K65 L66 Q67 M89 V173 I176 M180Y14-F16 HydrophobicContact CG-CE1 4.14Å; Y14-F16 HydrophobicContact CG-CZ 4.33Å; F16-L18 HydrophobicContact CB-CD2 4.28Å; F16-V64 HydrophobicContact CD1-CG1 4.32Å; F16-V64 HydrophobicContact CD2-CG1 3.59Å; F16-V64 HydrophobicContact CE1-CG1 4.34Å; F16-V64 HydrophobicContact CE2-CG1 3.67Å; F16-V64 HydrophobicContact CG-CG1 3.91Å; F16-V64 HydrophobicContact CZ-CG1 4.01Å; F16-K65 PolarHBondContact N-O 2.99Å; F16-L66 HydrophobicContact CB-CD2 4Å; F16-L66 HydrophobicContact CD2-CD2 4.13Å; F16-L66 HydrophobicContact CG-CD2 4.44Å; F16-Q67 PolarHBondContact O-N 3.46Å; F16-M89 HydrophobicContact CB-SD 4.26Å; F16-M89 HydrophobicContact CD1-CE 3.53Å; F16-M89 HydrophobicContact CD1-SD 3.79Å; F16-M89 HydrophobicContact CE1-CE 3.86Å; F16-M89 HydrophobicContact CG-CE 4.3Å; F16-M89 HydrophobicContact CG-SD 4.32Å; F16-V173 HydrophobicContact CD2-CG1 4.23Å; F16-V173 HydrophobicContact CD2-CG2 4.31Å; F16-V173 HydrophobicContact CE2-CG1 3.89Å; F16-I176 HydrophobicContact CD1-CG2 4.13Å; F16-I176 HydrophobicContact CD2-CB 4.27Å; F16-I176 HydrophobicContact CD2-CD1 4.38Å; F16-I176 HydrophobicContact CD2-CG2 3.77Å; F16-I176 HydrophobicContact CE1-CG2 4.03Å; F16-I176 HydrophobicContact CE2-CB 4.1Å; F16-I176 HydrophobicContact CE2-CG2 3.61Å; F16-I176 HydrophobicContact CG-CG2 4.06Å; F16-I176 HydrophobicContact CZ-CG2 3.8Å; F16-M180 HydrophobicContact CD1-CE 4.28Å; F16-M180 HydrophobicContact CE1-CE 3.12Å; F16-M180 HydrophobicContact CE1-SD 4.16Å; F16-M180 HydrophobicContact CE2-CE 4.29Å; F16-M180 HydrophobicContact CZ-CE 3.14Å
17K95.6Very high86.6Confident38 Ų3850.1 Ų50.117%0.16528%0.275CS..EExtended strand (participates in β ladder)trans-89112.2172.8-177.7174.9170.5-173.60109.6L19 Y84 R86 M89 G90K17-L19 HydrophobicContact CG-CD1 4.01Å; K17-Y84 WeakPolarHBondContact CE-O 3.45Å; K17-Y84 PolarHBondContact NZ-O 2.96Å; K17-R86 PolarHBondContact NZ-O 3.35Å; K17-M89 PolarHBondContact O-N 2.85Å; K17-G90 PolarHBondContact O-N 3.37Å
18L97.6Very high88.8Confident0 Ų046.5 Ų46.50%024%0.243CC..EExtended strand (participates in β ladder)trans-113.9137179.5-52.7-175.7000110.1F16 L66 Q67 I68 W69 G90 F169 L172 I176F16-L18 HydrophobicContact CB-CD2 4.28Å; L18-L66 HydrophobicContact CD1-CB 4.42Å; L18-L66 HydrophobicContact CD1-CD1 4.18Å; L18-L66 HydrophobicContact CD1-CD2 4.15Å; L18-L66 HydrophobicContact CD1-CG 4.49Å; L18-Q67 PolarHBondContact N-O 3.21Å; L18-I68 HydrophobicContact CB-CG1 4.43Å; L18-I68 HydrophobicContact CD1-CG1 4.42Å; L18-I68 WeakPolarHBondContact O-CA 3.24Å; L18-W69 PolarHBondContact O-N 3.29Å; L18-G90 CarbonylContact C-O 3.56Å; L18-G90 VanDerWaalsContact CA-O 3.31Å; L18-G90 WeakPolarHBondContact CA-O 3.49Å; L18-F169 HydrophobicContact CD1-CD1 4.18Å; L18-L172 HydrophobicContact CD1-CD2 4.35Å; L18-L172 HydrophobicContact CD2-CD2 3.96Å; L18-L172 HydrophobicContact CD2-CG 4.24Å; L18-I176 HydrophobicContact CD2-CD1 3.58Å
19L96.8Very high90.9Very high0 Ų043.1 Ų43.10%022%0.222CC..EExtended strand (participates in β ladder)trans-115.7138.6173.5-85.366000110.1K17 I21 W69 Y85 A88 G90 F91 I92K17-L19 HydrophobicContact CG-CD1 4.01Å; L19-I21 HydrophobicContact CB-CG2 4.19Å; L19-W69 WeakPolarHBondContact CA-O 3.44Å; L19-W69 HydrophobicContact CD1-CB 4.12Å; L19-W69 HydrophobicContact CD1-CG 4.21Å; L19-W69 HydrophobicContact CG-CB 3.97Å; L19-Y85 HydrophobicContact CD2-CD1 3.48Å; L19-Y85 VanDerWaalsContact CD2-CD1 3.48Å; L19-Y85 HydrophobicContact CD2-CE1 3.87Å; L19-Y85 HydrophobicContact CD2-CG 4.46Å; L19-A88 HydrophobicContact CD1-CB 3.7Å; L19-A88 HydrophobicContact CD2-CB 4.5Å; L19-G90 PolarHBondContact N-O 3.47Å; L19-F91 HydrophobicContact CB-CD1 3.76Å; L19-F91 HydrophobicContact CB-CE1 3.9Å; L19-F91 HydrophobicContact CD2-CD1 4.46Å; L19-F91 HydrophobicContact CD2-CE1 3.77Å; L19-F91 HydrophobicContact CD2-CZ 4.46Å; L19-F91 HydrophobicContact CG-CE1 4.38Å; L19-F91 CarbonylContact O-C 3.37Å; L19-F91 VanDerWaalsContact O-CA 3.31Å; L19-F91 WeakPolarHBondContact O-CA 3.23Å; L19-I92 PolarHBondContact O-N 3.49Å
20I97.4Very high92.7Very high0 Ų040 Ų400%021%0.208CC..EExtended strand (participates in β ladder)trans-103.6120.9168.2-47.3176.6000107.6K28 L32 I68 W69 T71 I92 M94 F169I20-K28 HydrophobicContact CB-CB 4.44Å; I20-K28 HydrophobicContact CG2-CB 3.66Å; I20-K28 HydrophobicContact CG2-CD 4.13Å; I20-K28 HydrophobicContact CG2-CG 3.83Å; I20-L32 HydrophobicContact CD1-CB 3.87Å; I20-L32 HydrophobicContact CD1-CD1 4.47Å; I20-I68 HydrophobicContact CD1-CG2 3.89Å; I20-I68 HydrophobicContact CG1-CG2 3.98Å; I20-W69 PolarHBondContact N-O 2.96Å; I20-T71 PolarHBondContact O-N 3.33Å; I20-T71 PolarHBondContact O-OG1 2.76Å; I20-I92 WeakPolarHBondContact CA-O 3.25Å; I20-I92 HydrophobicContact CG1-CB 4.37Å; I20-I92 HydrophobicContact CG1-CD1 4.4Å; I20-I92 HydrophobicContact CG2-CB 4.28Å; I20-I92 HydrophobicContact CG2-CG2 4.27Å; I20-M94 HydrophobicContact CG2-CE 4.4Å; I20-F169 HydrophobicContact CD1-CZ 3.99Å
21I95.7Very high94.3Very high0 Ų032.4 Ų32.40%017%0.173CC..EExtended strand (participates in β ladder)trans-132.3166.8-174.366.6161.6000111.5L19 T71 Y85 F91 I92 L93 M94 W109 I113L19-I21 HydrophobicContact CB-CG2 4.19Å; I21-T71 HydrophobicContact CG2-CG2 4.17Å; I21-Y85 HydrophobicContact CG2-CE1 3.98Å; I21-F91 HydrophobicContact CD1-CD1 4.08Å; I21-F91 HydrophobicContact CG1-CD1 4.37Å; I21-F91 HydrophobicContact CG2-CD1 4.25Å; I21-I92 PolarHBondContact N-O 3.03Å; I21-L93 HydrophobicContact CD1-CD1 4.01Å; I21-L93 HydrophobicContact CG1-CB 4.23Å; I21-L93 HydrophobicContact CG1-CD1 3.85Å; I21-M94 PolarHBondContact O-N 2.75Å; I21-W109 HydrophobicContact CB-CE3 4.37Å; I21-W109 HydrophobicContact CD1-CB 4.31Å; I21-W109 HydrophobicContact CD1-CE3 4.04Å; I21-I113 HydrophobicContact CD1-CD1 3.71Å; I21-I113 HydrophobicContact CD1-CG1 3.74Å
22G95.8Very high95Very high0 Ų026.7 Ų26.70%014%0.142CC..  trans133.9170.7-174.700000111.8K28 G73 M94 W109G22-K28 PolarHBondContact O-NZ 2.81Å; G22-G73 VanDerWaalsContact O-CA 3.24Å; G22-G73 WeakPolarHBondContact O-CA 3.38Å; G22-M94 WeakPolarHBondContact CA-O 3.47Å; G22-W109 VanDerWaalsContact C-CZ2 3.46Å; G22-W109 WeakPolarHBondContact O-CZ2 2.85Å
23N94.6Very high95.5Very high32 Ų3226.3 Ų26.317%0.17114%0.141CC..SBendtrans-56.3163.6-176.7-75.423.2000112.8V26 K28 A105 W109N23-V26 HydrophobicContact CB-CG1 3.96Å; N23-V26 VanDerWaalsContact O-CG2 3.29Å; N23-V26 WeakPolarHBondContact O-CG2 3.28Å; N23-K28 PolarHBondContact O-NZ 3.34Å; N23-A105 WeakPolarHBondContact OD1-CB 3.42Å; N23-W109 PolarHBondContact OD1-NE1 3.29Å
24S92.9Very high95.8Very high25 Ų2524.6 Ų24.618%0.17513%0.128CC..THydrogen-bonded Turntrans-57.2149.3170.7-166.30000110.9V26 G73 Q74S24-V26 PolarHBondContact O-N 3.4Å; S24-V26 VanDerWaalsContact O-N 3.1Å; S24-G73 PolarHBondContact N-O 3.27Å; S24-G73 VanDerWaalsContact N-O 3.09Å; S24-Q74 PolarHBondContact OG-NE2 3.13Å
25S93.4Very high96Very high50 Ų5021.1 Ų21.135%0.3511%0.114SC..THydrogen-bonded Turntrans66.21.5175.482.40000118.4G27 K129S25-G27 PolarHBondContact O-N 3.14Å; S25-K129 WeakPolarHBondContact O-CE 3.4Å; S25-K129 PolarHBondContact O-NZ 3.18Å
26V96.7Very high96.1Very high1 Ų118 Ų181%0.00610%0.102CC..SBendtrans-69.6-12.5177.3-550000114.4N23 S24 K28 M94 D96 N128N23-V26 HydrophobicContact CB-CG1 3.96Å; N23-V26 VanDerWaalsContact O-CG2 3.29Å; N23-V26 WeakPolarHBondContact O-CG2 3.28Å; S24-V26 PolarHBondContact O-N 3.4Å; S24-V26 VanDerWaalsContact O-N 3.1Å; V26-K28 HydrophobicContact CG2-CD 4.22Å; V26-K28 HydrophobicContact CG2-CG 3.6Å; V26-M94 HydrophobicContact CB-CG 4.31Å; V26-M94 HydrophobicContact CG2-CB 3.97Å; V26-M94 HydrophobicContact CG2-CG 3.9Å; V26-M94 HydrophobicContact CG2-SD 4.21Å; V26-D96 HydrophobicContact CB-CB 4.2Å; V26-D96 HydrophobicContact CG1-CB 4.16Å; V26-N128 PolarHBondContact O-ND2 2.89Å
27G96.7Very high95.9Very high14 Ų1421.9 Ų21.914%0.14412%0.123CC..SBendtrans10416.217400000116.3S25 T29 S30 F31S25-G27 PolarHBondContact O-N 3.14Å; G27-T29 PolarHBondContact O-N 3.35Å; G27-S30 PolarHBondContact O-N 3.03Å; G27-F31 WeakPolarHBondContact O-CB 3.39Å; G27-F31 PolarHBondContact O-N 3.23Å
28K96.1Very high95.9Very high9 Ų925.2 Ų25.24%0.03914%0.143CC..Hα-helixtrans-50-51.9179.7-55.3-171.8-61.8-74.80113.5I20 G22 N23 V26 F31 L32 D70 T71 M94I20-K28 HydrophobicContact CB-CB 4.44Å; I20-K28 HydrophobicContact CG2-CB 3.66Å; I20-K28 HydrophobicContact CG2-CD 4.13Å; I20-K28 HydrophobicContact CG2-CG 3.83Å; G22-K28 PolarHBondContact O-NZ 2.81Å; N23-K28 PolarHBondContact O-NZ 3.34Å; V26-K28 HydrophobicContact CG2-CD 4.22Å; V26-K28 HydrophobicContact CG2-CG 3.6Å; K28-F31 WeakPolarHBondContact O-CB 3.38Å; K28-F31 PolarHBondContact O-N 3.25Å; K28-L32 PolarHBondContact O-N 3.28Å; K28-D70 VanDerWaalsContact CB-OD1 3.25Å; K28-D70 WeakPolarHBondContact CB-OD1 3.1Å; K28-T71 WeakPolarHBondContact CE-O 2.97Å; K28-M94 HydrophobicContact CG-CB 4.41Å; K28-M94 HydrophobicContact CG-SD 4.33Å
29T95.4Very high95.8Very high34 Ų3427.6 Ų27.621%0.20916%0.159CC..Hα-helixtrans-62.7-48.3179.3-490000112.1G27 F31 L32 F33 T47 D70G27-T29 PolarHBondContact O-N 3.35Å; T29-F31 VanDerWaalsContact C-N 3.25Å; T29-F31 PolarHBondContact O-N 2.8Å; T29-L32 PolarHBondContact O-N 3.01Å; T29-F33 HydrophobicContact CG2-CD2 3.71Å; T29-F33 HydrophobicContact CG2-CE2 3.5Å; T29-F33 VanDerWaalsContact O-CD2 3.24Å; T29-F33 WeakPolarHBondContact O-CD2 3.43Å; T29-F33 PolarHBondContact O-N 3.2Å; T29-T47 PolarHBondContact OG1-OG1 2.92Å; T29-D70 VanDerWaalsContact CA-OD2 3.32Å; T29-D70 WeakPolarHBondContact CA-OD2 3.46Å; T29-D70 VanDerWaalsContact CB-OD2 3.25Å; T29-D70 WeakPolarHBondContact CB-OD2 3.16Å; T29-D70 PolarHBondContact OG1-OD2 2.81Å
30S96.4Very high95.7Very high30 Ų3031.3 Ų31.321%0.2118%0.176CC..Hα-helixtrans-61.3-35.6176.6-51.60000112G27 F33 R34G27-S30 PolarHBondContact O-N 3.03Å; S30-F33 PolarHBondContact O-N 3.11Å; S30-R34 WeakPolarHBondContact O-CB 3.28Å; S30-R34 PolarHBondContact O-N 3.23Å
31F97.9Very high95.3Very high0 Ų035.2 Ų35.20%020%0.2CC..Hα-helixtrans-66.7-43.3176.7-160.7-97.1000111.8G27 K28 T29 R34 Y35 M94 A157 A159 V165 V168 F169G27-F31 WeakPolarHBondContact O-CB 3.39Å; G27-F31 PolarHBondContact O-N 3.23Å; K28-F31 WeakPolarHBondContact O-CB 3.38Å; K28-F31 PolarHBondContact O-N 3.25Å; T29-F31 VanDerWaalsContact C-N 3.25Å; T29-F31 PolarHBondContact O-N 2.8Å; F31-R34 PolarHBondContact O-N 3.05Å; F31-Y35 WeakPolarHBondContact O-CB 3.33Å; F31-Y35 PolarHBondContact O-N 2.98Å; F31-M94 HydrophobicContact CB-CE 3.76Å; F31-M94 HydrophobicContact CB-SD 4.49Å; F31-M94 HydrophobicContact CD1-CE 3.82Å; F31-M94 HydrophobicContact CD2-CE 3.76Å; F31-M94 HydrophobicContact CE1-CE 4.3Å; F31-M94 HydrophobicContact CE2-CE 4.25Å; F31-M94 HydrophobicContact CG-CE 3.52Å; F31-M94 HydrophobicContact CZ-CE 4.49Å; F31-A157 HydrophobicContact CE2-CB 3.63Å; F31-A157 HydrophobicContact CZ-CB 4.2Å; F31-A159 HydrophobicContact CB-CB 4.36Å; F31-A159 HydrophobicContact CD2-CB 4.18Å; F31-V165 HydrophobicContact CD1-CG1 4.38Å; F31-V165 HydrophobicContact CD2-CG1 4.43Å; F31-V165 HydrophobicContact CD2-CG2 4.08Å; F31-V165 HydrophobicContact CE1-CG1 4.17Å; F31-V165 HydrophobicContact CE2-CB 4.17Å; F31-V165 HydrophobicContact CE2-CG1 4.22Å; F31-V165 HydrophobicContact CE2-CG2 3.7Å; F31-V165 HydrophobicContact CZ-CB 4.2Å; F31-V165 HydrophobicContact CZ-CG1 4.09Å; F31-V165 HydrophobicContact CZ-CG2 4.24Å; F31-V168 HydrophobicContact CE1-CB 4.35Å; F31-V168 HydrophobicContact CE1-CG1 4.23Å; F31-V168 HydrophobicContact CZ-CB 4.09Å; F31-V168 HydrophobicContact CZ-CG1 4.32Å; F31-V168 HydrophobicContact CZ-CG2 4.19Å; F31-F169 AromaticContact CD1-CE2 3.63Å; F31-F169 HydrophobicContact CD1-CE2 3.63Å; F31-F169 HydrophobicContact CD1-CZ 4.16Å; F31-F169 HydrophobicContact CE1-CD2 4.05Å; F31-F169 AromaticContact CE1-CE2 3.46Å; F31-F169 HydrophobicContact CE1-CE2 3.46Å; F31-F169 VanDerWaalsContact CE1-CE2 3.46Å; F31-F169 HydrophobicContact CE1-CZ 4.28Å
32L96.9Very high94.9Very high1 Ų140.6 Ų40.61%0.00524%0.237CC..Hα-helixtrans-61.9-46.9173.2178.155.7000111.5I20 K28 T29 R34 Y35 A36 K53 I68 D70I20-L32 HydrophobicContact CD1-CB 3.87Å; I20-L32 HydrophobicContact CD1-CD1 4.47Å; K28-L32 PolarHBondContact O-N 3.28Å; T29-L32 PolarHBondContact O-N 3.01Å; L32-R34 PolarHBondContact O-N 3.42Å; L32-Y35 PolarHBondContact O-N 2.72Å; L32-A36 HydrophobicContact CD1-CB 4.34Å; L32-A36 VanDerWaalsContact O-CB 3.23Å; L32-A36 WeakPolarHBondContact O-CB 3.14Å; L32-A36 PolarHBondContact O-N 3.01Å; L32-K53 HydrophobicContact CD1-CB 4.36Å; L32-K53 HydrophobicContact CD2-CB 4.28Å; L32-K53 HydrophobicContact CD2-CD 4.34Å; L32-K53 HydrophobicContact CD2-CG 4.25Å; L32-K53 HydrophobicContact CG-CD 4.25Å; L32-I68 HydrophobicContact CD1-CB 4Å; L32-I68 HydrophobicContact CD1-CD1 3.93Å; L32-I68 HydrophobicContact CD1-CG2 3.68Å; L32-I68 HydrophobicContact CD2-CG2 4.45Å; L32-D70 HydrophobicContact CD2-CB 3.72Å
33F95.4Very high94.4Very high64 Ų6443.6 Ų43.628%0.28126%0.262SS..Hα-helixtrans-63.4-40179-83-62.7000112.7T29 S30 Y35 D37 D38 S39 K53T29-F33 HydrophobicContact CG2-CD2 3.71Å; T29-F33 HydrophobicContact CG2-CE2 3.5Å; T29-F33 VanDerWaalsContact O-CD2 3.24Å; T29-F33 WeakPolarHBondContact O-CD2 3.43Å; T29-F33 PolarHBondContact O-N 3.2Å; S30-F33 PolarHBondContact O-N 3.11Å; F33-Y35 VanDerWaalsContact C-N 3.35Å; F33-Y35 PolarHBondContact O-N 2.85Å; F33-D37 WeakPolarHBondContact CD1-OD2 3.21Å; F33-D37 CarbonylContact O-C 3.5Å; F33-D37 WeakPolarHBondContact O-CA 3.44Å; F33-D37 PolarHBondContact O-N 3.48Å; F33-D38 PolarHBondContact O-N 3.46Å; F33-S39 CarbonylContact C-O 3.55Å; F33-S39 PolarHBondContact O-N 3.4Å; F33-K53 VanDerWaalsContact CE1-CE 3.48Å
34R97.4Very high93.9Very high41 Ų4148.3 Ų48.316%0.15528%0.281CS..Hα-helixtrans-61.6-44.7173.6175.85773.5-166.53.7111.2S30 F31 L32 D38 S39 F40 A159 K160 N162 V165S30-R34 WeakPolarHBondContact O-CB 3.28Å; S30-R34 PolarHBondContact O-N 3.23Å; F31-R34 PolarHBondContact O-N 3.05Å; L32-R34 PolarHBondContact O-N 3.42Å; R34-D38 WeakPolarHBondContact CD-OD1 3.39Å; R34-D38 IonicContact CZ-OD1 3.77Å; R34-D38 VanDerWaalsContact NH1-C 3.3Å; R34-D38 PolarHBondContact NH1-O 3.37Å; R34-D38 IonicContact NH1-OD1 2.65Å; R34-D38 PolarHBondContact NH1-OD1 3.12Å; R34-D38 VanDerWaalsContact O-CA 3.25Å; R34-D38 WeakPolarHBondContact O-CA 3.47Å; R34-D38 PolarHBondContact O-N 2.92Å; R34-S39 VanDerWaalsContact CA-O 3.27Å; R34-S39 WeakPolarHBondContact CA-O 3.46Å; R34-S39 PolarHBondContact N-O 3.01Å; R34-S39 VanDerWaalsContact N-O 3.13Å; R34-F40 VanDerWaalsContact NH2-CB 3.3Å; R34-A159 WeakPolarHBondContact CG-O 3.36Å; R34-A159 PolarHBondContact NE-O 3.33Å; R34-K160 PolarHBondContact NH2-O 3.36Å; R34-N162 WeakPolarHBondContact CD-OD1 3.25Å; R34-N162 HydrophobicContact CG-CB 4.38Å; R34-N162 WeakPolarHBondContact CG-OD1 3.33Å; R34-V165 HydrophobicContact CB-CG1 4.27Å; R34-V165 HydrophobicContact CG-CB 4.19Å; R34-V165 HydrophobicContact CG-CG1 3.93Å; R34-V165 HydrophobicContact CG-CG2 3.86Å
35Y97.9Very high93.4Very high17 Ų1752.8 Ų52.87%0.06731%0.307CS..Hα-helixtrans-68.8-46.2179.5178.4-112000113.3F31 L32 F33 K55 L66 I68 K166 F169F31-Y35 WeakPolarHBondContact O-CB 3.33Å; F31-Y35 PolarHBondContact O-N 2.98Å; L32-Y35 PolarHBondContact O-N 2.72Å; F33-Y35 VanDerWaalsContact C-N 3.35Å; F33-Y35 PolarHBondContact O-N 2.85Å; Y35-K55 HydrophobicContact CD1-CD 3.81Å; Y35-K55 HydrophobicContact CE1-CB 4.44Å; Y35-K55 HydrophobicContact CE1-CD 3.25Å; Y35-K55 HydrophobicContact CE1-CG 4.43Å; Y35-K55 HydrophobicContact CE2-CD 4.43Å; Y35-K55 PolarHBondContact O-NZ 3.03Å; Y35-L66 HydrophobicContact CE1-CD1 4.24Å; Y35-L66 WeakPolarHBondContact OH-CD1 3.38Å; Y35-I68 HydrophobicContact CD1-CD1 3.93Å; Y35-I68 HydrophobicContact CE1-CD1 3.78Å; Y35-K166 HydrophobicContact CE2-CG 4.33Å; Y35-F169 VanDerWaalsContact CB-CE2 3.47Å; Y35-F169 AromaticContact CD1-CD1 3.95Å; Y35-F169 HydrophobicContact CD1-CD1 3.95Å; Y35-F169 AromaticContact CD1-CD2 3.72Å; Y35-F169 HydrophobicContact CD1-CD2 3.72Å; Y35-F169 AromaticContact CD1-CE1 3.94Å; Y35-F169 HydrophobicContact CD1-CE1 3.94Å; Y35-F169 AromaticContact CD1-CE2 3.71Å; Y35-F169 HydrophobicContact CD1-CE2 3.71Å; Y35-F169 AromaticContact CD1-CG 3.84Å; Y35-F169 HydrophobicContact CD1-CG 3.84Å; Y35-F169 AromaticContact CD1-CZ 3.82Å; Y35-F169 HydrophobicContact CD1-CZ 3.82Å; Y35-F169 HydrophobicContact CD2-CB 4.12Å; Y35-F169 AromaticContact CD2-CD2 3.4Å; Y35-F169 HydrophobicContact CD2-CD2 3.4Å; Y35-F169 AromaticContact CD2-CE2 3.96Å; Y35-F169 HydrophobicContact CD2-CE2 3.96Å; Y35-F169 AromaticContact CD2-CG 3.86Å; Y35-F169 HydrophobicContact CD2-CG 3.86Å; Y35-F169 HydrophobicContact CE1-CB 4.12Å; Y35-F169 AromaticContact CE1-CD1 3.75Å; Y35-F169 HydrophobicContact CE1-CD1 3.75Å; Y35-F169 HydrophobicContact CE1-CD2 4.05Å; Y35-F169 HydrophobicContact CE1-CE1 4.14Å; Y35-F169 HydrophobicContact CE1-CE2 4.41Å; Y35-F169 AromaticContact CE1-CG 3.71Å; Y35-F169 HydrophobicContact CE1-CG 3.71Å; Y35-F169 HydrophobicContact CE1-CZ 4.45Å; Y35-F169 HydrophobicContact CE2-CB 3.56Å; Y35-F169 AromaticContact CE2-CD2 3.77Å; Y35-F169 HydrophobicContact CE2-CD2 3.77Å; Y35-F169 AromaticContact CE2-CG 3.73Å; Y35-F169 HydrophobicContact CE2-CG 3.73Å; Y35-F169 HydrophobicContact CG-CD1 4.44Å; Y35-F169 AromaticContact CG-CD2 3.36Å; Y35-F169 HydrophobicContact CG-CD2 3.36Å; Y35-F169 HydrophobicContact CG-CE1 4.49Å; Y35-F169 AromaticContact CG-CE2 3.43Å; Y35-F169 HydrophobicContact CG-CE2 3.43Å; Y35-F169 VanDerWaalsContact CG-CE2 3.43Å; Y35-F169 AromaticContact CG-CG 3.91Å; Y35-F169 HydrophobicContact CG-CG 3.91Å; Y35-F169 HydrophobicContact CG-CZ 4.02Å; Y35-F169 AromaticContact CZ-CG 3.65Å
36A95.1Very high93.1Very high20 Ų2052.9 Ų52.917%0.16531%0.308CS..Hα-helixtrans-76.9-46.8-172.200000111.8L32 K53 K55L32-A36 HydrophobicContact CD1-CB 4.34Å; L32-A36 VanDerWaalsContact O-CB 3.23Å; L32-A36 WeakPolarHBondContact O-CB 3.14Å; L32-A36 PolarHBondContact O-N 3.01Å; A36-K53 HydrophobicContact CB-CD 3.75Å; A36-K55 PolarHBondContact O-NZ 2.83Å
37D93.5Very high92.2Very high84 Ų8454.3 Ų54.345%0.44932%0.317SS..Hα-helixtrans-122.54.1-163.5-55.4-30.6000112.9F33 S39 K53F33-D37 WeakPolarHBondContact CD1-OD2 3.21Å; F33-D37 CarbonylContact O-C 3.5Å; F33-D37 WeakPolarHBondContact O-CA 3.44Å; F33-D37 PolarHBondContact O-N 3.48Å; D37-S39 PolarHBondContact O-N 3.29Å; D37-K53 IonicContact OD1-NZ 3.78Å; D37-K53 WeakPolarHBondContact OD2-CE 3.22Å; D37-K53 IonicContact OD2-NZ 3.23Å; D37-K53 PolarHBondContact OD2-NZ 3.28Å
38D94.9Very high91.3Very high108 Ų10858.8 Ų58.858%0.57834%0.341SS*.SBendtrans49.140.7-174.2-163.325000113.6F33 R34F33-D38 PolarHBondContact O-N 3.46Å; R34-D38 WeakPolarHBondContact CD-OD1 3.39Å; R34-D38 IonicContact CZ-OD1 3.77Å; R34-D38 VanDerWaalsContact NH1-C 3.3Å; R34-D38 PolarHBondContact NH1-O 3.37Å; R34-D38 IonicContact NH1-OD1 2.65Å; R34-D38 PolarHBondContact NH1-OD1 3.12Å; R34-D38 VanDerWaalsContact O-CA 3.25Å; R34-D38 WeakPolarHBondContact O-CA 3.47Å; R34-D38 PolarHBondContact O-N 2.92Å
39S94.4Very high90.5Very high49 Ų4959.1 Ų59.134%0.34335%0.347SS..  trans-124.2150.9-176.665.30000112.2F33 R34 D37F33-S39 CarbonylContact C-O 3.55Å; F33-S39 PolarHBondContact O-N 3.4Å; R34-S39 VanDerWaalsContact CA-O 3.27Å; R34-S39 WeakPolarHBondContact CA-O 3.46Å; R34-S39 PolarHBondContact N-O 3.01Å; R34-S39 VanDerWaalsContact N-O 3.13Å; D37-S39 PolarHBondContact O-N 3.29Å
40F94.7Very high90Very high78 Ų7859 Ų5934%0.34235%0.345SS..  trans-143.6140.9174.5177.5-93.5000110R34 A159 K160R34-F40 VanDerWaalsContact NH2-CB 3.3Å; F40-A159 HydrophobicContact CD2-CB 4.22Å; F40-A159 HydrophobicContact CE2-CB 4.32Å; F40-K160 HydrophobicContact CD1-CB 4.35Å; F40-K160 HydrophobicContact CD1-CG 4.11Å; F40-K160 HydrophobicContact CD2-CB 4.21Å; F40-K160 HydrophobicContact CE1-CB 3.96Å; F40-K160 HydrophobicContact CE1-CD 4.39Å; F40-K160 HydrophobicContact CE1-CG 3.71Å; F40-K160 HydrophobicContact CE2-CB 3.8Å; F40-K160 HydrophobicContact CE2-CG 4.47Å; F40-K160 HydrophobicContact CG-CB 4.47Å; F40-K160 HydrophobicContact CZ-CB 3.66Å; F40-K160 HydrophobicContact CZ-CD 4.48Å; F40-K160 HydrophobicContact CZ-CG 3.92Å
41T90.6Very high89.7Confident83 Ų8360.8 Ų60.851%0.50935%0.352SS..  trans-131.3137.8170.3-178.90000109.1A43T41-A43 VanDerWaalsContact C-N 3.27Å; T41-A43 WeakPolarHBondContact OG1-CB 3.41Å; T41-A43 PolarHBondContact OG1-N 3.06Å
42S87.1Confident89.4Confident112 Ų11264.6 Ų64.678%0.78337%0.369SS*.  trans-79.5-12.8172.854.20000112.5F44S42-F44 PolarHBondContact O-N 3.31Å; S42-F44 VanDerWaalsContact O-N 3.17Å
43A85.1Confident89.2Confident63 Ų6367 Ų6752%0.52138%0.379SS..  trans-64.7116.717700000109.9T41 V45T41-A43 VanDerWaalsContact C-N 3.27Å; T41-A43 WeakPolarHBondContact OG1-CB 3.41Å; T41-A43 PolarHBondContact OG1-N 3.06Å; A43-V45 PolarHBondContact O-N 2.72Å
44F83.9Confident89.2Confident132 Ų13267.2 Ų67.258%0.57939%0.386SS*.  trans-80.3115.7174.8177.5-108.6000110.2S42 S46S42-F44 PolarHBondContact O-N 3.31Å; S42-F44 VanDerWaalsContact O-N 3.17Å; F44-S46 WeakPolarHBondContact CE1-OG 3.43Å; F44-S46 VanDerWaalsContact CZ-OG 3.27Å; F44-S46 WeakPolarHBondContact CZ-OG 3.24Å
45V83Confident89Confident118 Ų11868.1 Ų68.172%0.71539%0.39SS*.  trans-122.3122.3169.3-176.80000107.3A43 T47A43-V45 PolarHBondContact O-N 2.72Å; V45-T47 PolarHBondContact O-N 3.29Å
46S85.7Confident88.9Confident52 Ų5269.9 Ų69.936%0.36440%0.403SS..PPolyproline II helixtrans-67.9123.7176.9-720000110.3F44 V48F44-S46 WeakPolarHBondContact CE1-OG 3.43Å; F44-S46 VanDerWaalsContact CZ-OG 3.27Å; F44-S46 WeakPolarHBondContact CZ-OG 3.24Å; S46-V48 PolarHBondContact O-N 3.18Å
47T77.9Confident88.9Confident32 Ų3269.9 Ų69.920%0.19640%0.4CS..PPolyproline II helixtrans-63.5122.1173.3-44.80000109.9T29 V45 A72T29-T47 PolarHBondContact OG1-OG1 2.92Å; V45-T47 PolarHBondContact O-N 3.29Å; T47-A72 VanDerWaalsContact O-CB 3.29Å; T47-A72 WeakPolarHBondContact O-CB 3.45Å
48V77.8Confident88.9Confident108 Ų10872.1 Ų72.166%0.65541%0.406SS*.PPolyproline II helixtrans-97.6120.7173.6176.20000107.9S46 Y77S46-V48 PolarHBondContact O-N 3.18Å; V48-Y77 HydrophobicContact CG1-CE1 4.41Å
49G79.3Confident88.6Confident16 Ų1669.8 Ų69.817%0.16539%0.389CS..SBendtrans73.2-127.4-176.800000112.6A72G49-A72 WeakPolarHBondContact O-CB 3.49Å; G49-A72 PolarHBondContact O-N 2.87Å
50I85.9Confident88.2Confident31 Ų3174 Ų7416%0.15940%0.404CS..EExtended strand (participates in β ladder)trans-140.5132.6-174.6-57.4-176.4000109.1W69 D70 T71 I80 Y84I50-W69 HydrophobicContact CG2-CB 4.22Å; I50-W69 HydrophobicContact CG2-CE3 3.72Å; I50-D70 CarbonylContact C-O 3.59Å; I50-D70 VanDerWaalsContact CA-O 3.29Å; I50-D70 WeakPolarHBondContact CA-O 3.4Å; I50-D70 VanDerWaalsContact CG2-O 3.25Å; I50-D70 WeakPolarHBondContact CG2-O 3.46Å; I50-T71 HydrophobicContact CD1-CG2 4.42Å; I50-I80 HydrophobicContact CD1-CG2 4.04Å; I50-I80 HydrophobicContact CG1-CG2 4.27Å; I50-Y84 HydrophobicContact CD1-CD1 4.23Å; I50-Y84 HydrophobicContact CD1-CD2 3.1Å; I50-Y84 HydrophobicContact CD1-CE1 4.39Å; I50-Y84 HydrophobicContact CD1-CE2 3.31Å; I50-Y84 HydrophobicContact CD1-CG 3.6Å; I50-Y84 HydrophobicContact CG1-CE2 4.46Å
51D89.1Confident87.8Confident68 Ų6878 Ų7836%0.36443%0.429SS..EExtended strand (participates in β ladder)trans-101153.8171.6-163.59000110.4W69 D70D51-W69 CarbonylContact O-C 3.41Å; D51-W69 WeakPolarHBondContact O-CA 3.42Å; D51-D70 HydrophobicContact CB-CB 4.34Å; D51-D70 PolarHBondContact N-O 2.93Å; D51-D70 PolarHBondContact O-N 2.93Å
52F91Very high87.8Confident80 Ų8078.2 Ų78.235%0.35142%0.422SS..EExtended strand (participates in β ladder)trans-135125.2-172175.7-107.6000111.2V54 Q67 W69F52-V54 HydrophobicContact CD1-CG2 4.49Å; F52-V54 HydrophobicContact CE1-CG2 3.46Å; F52-V54 VanDerWaalsContact CE1-CG2 3.46Å; F52-V54 HydrophobicContact CE2-CG2 4.38Å; F52-V54 HydrophobicContact CZ-CG2 3.4Å; F52-Q67 HydrophobicContact CE2-CB 3.8Å; F52-Q67 HydrophobicContact CE2-CG 4.09Å; F52-Q67 HydrophobicContact CZ-CB 4.21Å; F52-Q67 HydrophobicContact CZ-CG 3.98Å; F52-W69 HydrophobicContact CB-CE3 4.19Å; F52-W69 HydrophobicContact CB-CZ3 4.27Å; F52-W69 AromaticContact CD2-CD2 3.6Å; F52-W69 HydrophobicContact CD2-CD2 3.6Å; F52-W69 AromaticContact CD2-CE2 3.46Å; F52-W69 VanDerWaalsContact CD2-CE2 3.46Å; F52-W69 AromaticContact CD2-CE3 3.9Å; F52-W69 HydrophobicContact CD2-CE3 3.9Å; F52-W69 HydrophobicContact CD2-CG 4.1Å; F52-W69 HydrophobicContact CD2-CH2 4.06Å; F52-W69 AromaticContact CD2-CZ2 3.73Å; F52-W69 HydrophobicContact CD2-CZ2 3.73Å; F52-W69 HydrophobicContact CD2-CZ3 4.12Å; F52-W69 AromaticContact CD2-NE1 3.81Å; F52-W69 HydrophobicContact CE2-CD2 4.21Å; F52-W69 AromaticContact CE2-CE2 3.61Å; F52-W69 HydrophobicContact CE2-CH2 4.43Å; F52-W69 AromaticContact CE2-CZ2 3.75Å; F52-W69 HydrophobicContact CE2-CZ2 3.75Å; F52-W69 AromaticContact CE2-NE1 3.66Å; F52-W69 HydrophobicContact CG-CE3 4.41Å; F52-W69 HydrophobicContact CG-CH2 4.48Å; F52-W69 HydrophobicContact CG-CZ3 4.39Å
53K93.7Very high88.1Confident51 Ų5176.3 Ų76.322%0.22240%0.398CS..EExtended strand (participates in β ladder)trans-126.7145171.3-74.4-164-178.3-105.60111.9L32 F33 A36 D37 I68L32-K53 HydrophobicContact CD1-CB 4.36Å; L32-K53 HydrophobicContact CD2-CB 4.28Å; L32-K53 HydrophobicContact CD2-CD 4.34Å; L32-K53 HydrophobicContact CD2-CG 4.25Å; L32-K53 HydrophobicContact CG-CD 4.25Å; F33-K53 VanDerWaalsContact CE1-CE 3.48Å; A36-K53 HydrophobicContact CB-CD 3.75Å; D37-K53 IonicContact OD1-NZ 3.78Å; D37-K53 WeakPolarHBondContact OD2-CE 3.22Å; D37-K53 IonicContact OD2-NZ 3.23Å; D37-K53 PolarHBondContact OD2-NZ 3.28Å; K53-I68 PolarHBondContact N-O 2.86Å; K53-I68 PolarHBondContact O-N 3.34Å
54V94.6Very high88.6Confident69 Ų6973.3 Ų73.342%0.41837%0.373SS..EExtended strand (participates in β ladder)trans-108.1126.5170.1-179.20000108.6F52 K65 L66F52-V54 HydrophobicContact CD1-CG2 4.49Å; F52-V54 HydrophobicContact CE1-CG2 3.46Å; F52-V54 VanDerWaalsContact CE1-CG2 3.46Å; F52-V54 HydrophobicContact CE2-CG2 4.38Å; F52-V54 HydrophobicContact CZ-CG2 3.4Å; V54-K65 HydrophobicContact CG1-CD 3.7Å; V54-K65 HydrophobicContact CG1-CG 3.45Å; V54-K65 VanDerWaalsContact CG1-CG 3.45Å; V54-L66 CarbonylContact C-O 3.56Å; V54-L66 VanDerWaalsContact CA-O 3.25Å; V54-L66 WeakPolarHBondContact CA-O 3.29Å
55K95Very high89.2Confident59 Ų5968.2 Ų68.226%0.25735%0.351SS..EExtended strand (participates in β ladder)trans-127.9124171.5-164.3-171.3-17790.80109.4Y35 A36 I57 L66Y35-K55 HydrophobicContact CD1-CD 3.81Å; Y35-K55 HydrophobicContact CE1-CB 4.44Å; Y35-K55 HydrophobicContact CE1-CD 3.25Å; Y35-K55 HydrophobicContact CE1-CG 4.43Å; Y35-K55 HydrophobicContact CE2-CD 4.43Å; Y35-K55 PolarHBondContact O-NZ 3.03Å; A36-K55 PolarHBondContact O-NZ 2.83Å; K55-I57 HydrophobicContact CD-CG2 4.25Å; K55-I57 HydrophobicContact CG-CG2 4.37Å; K55-L66 PolarHBondContact N-O 2.79Å; K55-L66 WeakPolarHBondContact O-CB 3.45Å; K55-L66 PolarHBondContact O-N 2.93Å
56T95.3Very high89.9Confident55 Ų5562.6 Ų62.634%0.33732%0.317SS..EExtended strand (participates in β ladder)trans-91.9127.7174.3-57.40000109.2R63 V64T56-R63 HydrophobicContact CG2-CG 3.31Å; T56-V64 WeakPolarHBondContact CA-O 3.27Å
57I95.3Very high90.5Very high19 Ų1962.5 Ų62.510%0.09731%0.311CS..EExtended strand (participates in β ladder)trans-123.8164.9176.465.9168.6000110.6K55 R59 R63 V64 L66 V173K55-I57 HydrophobicContact CD-CG2 4.25Å; K55-I57 HydrophobicContact CG-CG2 4.37Å; I57-R59 HydrophobicContact CD1-CG 3.97Å; I57-R63 WeakPolarHBondContact O-CA 3.43Å; I57-V64 HydrophobicContact CG1-CB 4.05Å; I57-V64 PolarHBondContact N-O 3.16Å; I57-V64 PolarHBondContact O-N 3.37Å; I57-L66 HydrophobicContact CD1-CD1 3.91Å; I57-L66 HydrophobicContact CD1-CD2 4.48Å; I57-L66 HydrophobicContact CD1-CG 4.34Å; I57-L66 HydrophobicContact CG1-CD1 4.29Å; I57-L66 HydrophobicContact CG1-CG 4.31Å; I57-L66 HydrophobicContact CG2-CD1 4.4Å; I57-V173 HydrophobicContact CD1-CB 4.45Å; I57-V173 HydrophobicContact CD1-CG1 4.13Å; I57-V173 HydrophobicContact CD1-CG2 4.02Å
58F92.8Very high91.4Very high132 Ų13261 Ų6158%0.57930%0.301SS*.EExtended strand (participates in β ladder)trans-111.1127.7171-70.9-91.1000109.8K62 R63F58-K62 CarbonylContact C-O 3.5Å; F58-K62 WeakPolarHBondContact CA-O 3.4Å; F58-R63 HydrophobicContact CD1-CB 4.13Å; F58-R63 HydrophobicContact CE1-CB 3.87Å; F58-R63 HydrophobicContact CE1-CG 4.07Å; F58-R63 HydrophobicContact CZ-CB 4.47Å; F58-R63 HydrophobicContact CZ-CG 4.18Å; F58-R63 VanDerWaalsContact CZ-NE 3.3Å
59R89Confident92.2Very high58 Ų5857.7 Ų57.722%0.21928%0.277CS..EExtended strand (participates in β ladder)trans-139.5126.1176.5-80.8-52.1-142.7-148.714.9109.9I57 D61 K62 V64 D170 V173 D174I57-R59 HydrophobicContact CD1-CG 3.97Å; R59-D61 VanDerWaalsContact C-N 3.29Å; R59-D61 PolarHBondContact O-N 3.21Å; R59-K62 PolarHBondContact N-O 3.21Å; R59-K62 WeakPolarHBondContact O-CA 3.41Å; R59-K62 VanDerWaalsContact O-CB 3.29Å; R59-K62 WeakPolarHBondContact O-CB 3.49Å; R59-K62 PolarHBondContact O-N 3.38Å; R59-V64 HydrophobicContact CB-CG2 4.4Å; R59-D170 IonicContact CZ-OD1 2.76Å; R59-D170 IonicContact CZ-OD2 2.73Å; R59-D170 VanDerWaalsContact CZ-OD2 3.23Å; R59-D170 IonicContact NH1-OD1 3.17Å; R59-D170 IonicContact NH1-OD2 3.82Å; R59-D170 PolarHBondContact NH1-OD2 2.71Å; R59-D170 IonicContact NH2-OD1 3.38Å; R59-D170 IonicContact NH2-OD2 3.34Å; R59-D170 PolarHBondContact NH2-OD2 2.95Å; R59-V173 HydrophobicContact CG-CG1 3.92Å; R59-D174 IonicContact CZ-OD1 3.96Å; R59-D174 IonicContact CZ-OD2 3.77Å; R59-D174 IonicContact NE-OD1 2.61Å; R59-D174 PolarHBondContact NE-OD1 2.93Å; R59-D174 IonicContact NE-OD2 3.01Å; R59-D174 IonicContact NH2-OD1 3.02Å; R59-D174 IonicContact NH2-OD2 2.91Å; R59-D174 PolarHBondContact NH2-OD2 2.92Å
60Q85.8Confident92.9Very high139 Ų13957 Ų5765%0.6527%0.269SS*.THydrogen-bonded Turntrans49.847.8179.8-57175.8-0.600112.7K62Q60-K62 PolarHBondContact O-N 3.22Å
61D86.4Confident93Very high162 Ų16255.5 Ų55.587%0.86626%0.262SS*.THydrogen-bonded Turntrans5911.1-175-57.6-41.8000115.9R59R59-D61 VanDerWaalsContact C-N 3.29Å; R59-D61 PolarHBondContact O-N 3.21Å
62K90.4Very high92.7Very high86 Ų8652.2 Ų52.237%0.37425%0.245SC..EExtended strand (participates in β ladder)trans-103.6137.5174.1-58.8-64.4-176.6-178.10110.6D13 Y14 F58 R59 Q60D13-K62 HydrophobicContact CB-CB 4.11Å; D13-K62 HydrophobicContact CB-CD 3.89Å; D13-K62 WeakPolarHBondContact OD1-CD 3.07Å; D13-K62 IonicContact OD1-NZ 3.12Å; D13-K62 PolarHBondContact OD1-NZ 3.48Å; D13-K62 WeakPolarHBondContact OD2-CA 3.21Å; Y14-K62 HydrophobicContact CD2-CB 4.15Å; Y14-K62 HydrophobicContact CD2-CG 4.49Å; Y14-K62 HydrophobicContact CE2-CB 4.1Å; Y14-K62 HydrophobicContact CE2-CD 4.29Å; Y14-K62 HydrophobicContact CE2-CG 3.94Å; F58-K62 CarbonylContact C-O 3.5Å; F58-K62 WeakPolarHBondContact CA-O 3.4Å; R59-K62 PolarHBondContact N-O 3.21Å; R59-K62 WeakPolarHBondContact O-CA 3.41Å; R59-K62 VanDerWaalsContact O-CB 3.29Å; R59-K62 WeakPolarHBondContact O-CB 3.49Å; R59-K62 PolarHBondContact O-N 3.38Å; Q60-K62 PolarHBondContact O-N 3.22Å
63R94Very high92Very high73 Ų7349 Ų4928%0.27523%0.233SC..EExtended strand (participates in β ladder)trans-89.4110.8173.8-173.2-174.6-75.6-176.10.2109T8 N11 F12 D13 Y14 T56 I57 F58T8-R63 PolarHBondContact O-NH1 2.88Å; N11-R63 WeakPolarHBondContact O-CD 3.35Å; N11-R63 PolarHBondContact O-NH1 3.29Å; F12-R63 HydrophobicContact CB-CG 4.39Å; D13-R63 PolarHBondContact N-O 2.91Å; D13-R63 PolarHBondContact OD2-N 2.69Å; Y14-R63 PolarHBondContact N-O 3.39Å; T56-R63 HydrophobicContact CG2-CG 3.31Å; I57-R63 WeakPolarHBondContact O-CA 3.43Å; F58-R63 HydrophobicContact CD1-CB 4.13Å; F58-R63 HydrophobicContact CE1-CB 3.87Å; F58-R63 HydrophobicContact CE1-CG 4.07Å; F58-R63 HydrophobicContact CZ-CB 4.47Å; F58-R63 HydrophobicContact CZ-CG 4.18Å; F58-R63 VanDerWaalsContact CZ-NE 3.3Å
64V95.8Very high91.4Very high0 Ų049.4 Ų49.40%024%0.236CC..EExtended strand (participates in β ladder)trans-105.5119.8-177.7-171.90000109.2Y14 F16 T56 I57 R59 L66Y14-V64 HydrophobicContact CD2-CG2 4.36Å; Y14-V64 CarbonylContact O-C 3.55Å; Y14-V64 WeakPolarHBondContact O-CA 3.4Å; F16-V64 HydrophobicContact CD1-CG1 4.32Å; F16-V64 HydrophobicContact CD2-CG1 3.59Å; F16-V64 HydrophobicContact CE1-CG1 4.34Å; F16-V64 HydrophobicContact CE2-CG1 3.67Å; F16-V64 HydrophobicContact CG-CG1 3.91Å; F16-V64 HydrophobicContact CZ-CG1 4.01Å; T56-V64 WeakPolarHBondContact CA-O 3.27Å; I57-V64 HydrophobicContact CG1-CB 4.05Å; I57-V64 PolarHBondContact N-O 3.16Å; I57-V64 PolarHBondContact O-N 3.37Å; R59-V64 HydrophobicContact CB-CG2 4.4Å; V64-L66 HydrophobicContact CG1-CD2 3.69Å
65K96.2Very high90.2Very high24 Ų2451.9 Ų51.910%0.10424%0.243CC..EExtended strand (participates in β ladder)trans-89.9108.5173.6-177.3165.4-90.4-175.70109.3D9 F12 Y14 M15 F16 V54D9-K65 PolarHBondContact O-NZ 3.12Å; D9-K65 IonicContact OD1-NZ 3.36Å; D9-K65 PolarHBondContact OD1-NZ 3.34Å; D9-K65 IonicContact OD2-NZ 2.82Å; F12-K65 HydrophobicContact CB-CB 4.22Å; F12-K65 HydrophobicContact CD1-CB 4.32Å; F12-K65 HydrophobicContact CD1-CD 4.04Å; F12-K65 HydrophobicContact CD2-CB 4.33Å; F12-K65 HydrophobicContact CE1-CD 4.17Å; F12-K65 HydrophobicContact CG-CB 4.03Å; Y14-K65 PolarHBondContact O-N 3.18Å; M15-K65 CarbonylContact C-O 3.59Å; M15-K65 VanDerWaalsContact CA-O 3.25Å; M15-K65 WeakPolarHBondContact CA-O 3.24Å; F16-K65 PolarHBondContact N-O 2.99Å; V54-K65 HydrophobicContact CG1-CD 3.7Å; V54-K65 HydrophobicContact CG1-CG 3.45Å; V54-K65 VanDerWaalsContact CG1-CG 3.45Å
66L97.4Very high89.5Confident0 Ų058.5 Ų58.50%027%0.266CS..EExtended strand (participates in β ladder)trans-85.7122.7176.6-52-176.4000109.8F16 L18 Y35 V54 K55 I57 V64 I68 V173F16-L66 HydrophobicContact CB-CD2 4Å; F16-L66 HydrophobicContact CD2-CD2 4.13Å; F16-L66 HydrophobicContact CG-CD2 4.44Å; L18-L66 HydrophobicContact CD1-CB 4.42Å; L18-L66 HydrophobicContact CD1-CD1 4.18Å; L18-L66 HydrophobicContact CD1-CD2 4.15Å; L18-L66 HydrophobicContact CD1-CG 4.49Å; Y35-L66 HydrophobicContact CE1-CD1 4.24Å; Y35-L66 WeakPolarHBondContact OH-CD1 3.38Å; V54-L66 CarbonylContact C-O 3.56Å; V54-L66 VanDerWaalsContact CA-O 3.25Å; V54-L66 WeakPolarHBondContact CA-O 3.29Å; K55-L66 PolarHBondContact N-O 2.79Å; K55-L66 WeakPolarHBondContact O-CB 3.45Å; K55-L66 PolarHBondContact O-N 2.93Å; I57-L66 HydrophobicContact CD1-CD1 3.91Å; I57-L66 HydrophobicContact CD1-CD2 4.48Å; I57-L66 HydrophobicContact CD1-CG 4.34Å; I57-L66 HydrophobicContact CG1-CD1 4.29Å; I57-L66 HydrophobicContact CG1-CG 4.31Å; I57-L66 HydrophobicContact CG2-CD1 4.4Å; V64-L66 HydrophobicContact CG1-CD2 3.69Å; L66-I68 HydrophobicContact CB-CD1 4.16Å; L66-I68 HydrophobicContact CB-CG1 3.94Å; L66-V173 HydrophobicContact CD1-CG2 4.03Å; L66-V173 HydrophobicContact CD2-CG2 3.57Å; L66-V173 HydrophobicContact CG-CG2 4.45Å
67Q96.9Very high88.7Confident50 Ų5058.8 Ų58.823%0.23426%0.262CS..EExtended strand (participates in β ladder)trans-98.795.9170.2-75.7-169.6-37.500108.2M15 F16 L18 F52M15-Q67 HydrophobicContact CG-CG 3.97Å; M15-Q67 HydrophobicContact SD-CG 4.06Å; M15-Q67 PolarHBondContact SD-NE2 3.14Å; F16-Q67 PolarHBondContact O-N 3.46Å; L18-Q67 PolarHBondContact N-O 3.21Å; F52-Q67 HydrophobicContact CE2-CB 3.8Å; F52-Q67 HydrophobicContact CE2-CG 4.09Å; F52-Q67 HydrophobicContact CZ-CB 4.21Å; F52-Q67 HydrophobicContact CZ-CG 3.98Å
68I97.2Very high87.8Confident0 Ų063.8 Ų63.80%028%0.279CS..EExtended strand (participates in β ladder)trans-101.9121.2-172.2-49.1165.1000109.2L18 I20 L32 Y35 K53 L66 F169L18-I68 HydrophobicContact CB-CG1 4.43Å; L18-I68 HydrophobicContact CD1-CG1 4.42Å; L18-I68 WeakPolarHBondContact O-CA 3.24Å; I20-I68 HydrophobicContact CD1-CG2 3.89Å; I20-I68 HydrophobicContact CG1-CG2 3.98Å; L32-I68 HydrophobicContact CD1-CB 4Å; L32-I68 HydrophobicContact CD1-CD1 3.93Å; L32-I68 HydrophobicContact CD1-CG2 3.68Å; L32-I68 HydrophobicContact CD2-CG2 4.45Å; Y35-I68 HydrophobicContact CD1-CD1 3.93Å; Y35-I68 HydrophobicContact CE1-CD1 3.78Å; K53-I68 PolarHBondContact N-O 2.86Å; K53-I68 PolarHBondContact O-N 3.34Å; L66-I68 HydrophobicContact CB-CD1 4.16Å; L66-I68 HydrophobicContact CB-CG1 3.94Å; I68-F169 HydrophobicContact CD1-CD1 4.18Å; I68-F169 HydrophobicContact CD1-CE1 3.7Å; I68-F169 HydrophobicContact CD1-CZ 4.44Å; I68-F169 HydrophobicContact CG1-CE1 4.25Å; I68-F169 HydrophobicContact CG2-CE1 4.09Å
69W95.1Very high87.2Confident40 Ų4063 Ų6315%0.15229%0.286CS..EExtended strand (participates in β ladder)trans-106.8111.9-179.8-61.280.9000109L18 L19 I20 I50 D51 F52 Y84L18-W69 PolarHBondContact O-N 3.29Å; L19-W69 WeakPolarHBondContact CA-O 3.44Å; L19-W69 HydrophobicContact CD1-CB 4.12Å; L19-W69 HydrophobicContact CD1-CG 4.21Å; L19-W69 HydrophobicContact CG-CB 3.97Å; I20-W69 PolarHBondContact N-O 2.96Å; I50-W69 HydrophobicContact CG2-CB 4.22Å; I50-W69 HydrophobicContact CG2-CE3 3.72Å; D51-W69 CarbonylContact O-C 3.41Å; D51-W69 WeakPolarHBondContact O-CA 3.42Å; F52-W69 HydrophobicContact CB-CE3 4.19Å; F52-W69 HydrophobicContact CB-CZ3 4.27Å; F52-W69 AromaticContact CD2-CD2 3.6Å; F52-W69 HydrophobicContact CD2-CD2 3.6Å; F52-W69 AromaticContact CD2-CE2 3.46Å; F52-W69 VanDerWaalsContact CD2-CE2 3.46Å; F52-W69 AromaticContact CD2-CE3 3.9Å; F52-W69 HydrophobicContact CD2-CE3 3.9Å; F52-W69 HydrophobicContact CD2-CG 4.1Å; F52-W69 HydrophobicContact CD2-CH2 4.06Å; F52-W69 AromaticContact CD2-CZ2 3.73Å; F52-W69 HydrophobicContact CD2-CZ2 3.73Å; F52-W69 HydrophobicContact CD2-CZ3 4.12Å; F52-W69 AromaticContact CD2-NE1 3.81Å; F52-W69 HydrophobicContact CE2-CD2 4.21Å; F52-W69 AromaticContact CE2-CE2 3.61Å; F52-W69 HydrophobicContact CE2-CH2 4.43Å; F52-W69 AromaticContact CE2-CZ2 3.75Å; F52-W69 HydrophobicContact CE2-CZ2 3.75Å; F52-W69 AromaticContact CE2-NE1 3.66Å; F52-W69 HydrophobicContact CG-CE3 4.41Å; F52-W69 HydrophobicContact CG-CH2 4.48Å; F52-W69 HydrophobicContact CG-CZ3 4.39Å; W69-Y84 HydrophobicContact CD2-CD1 4.18Å; W69-Y84 AromaticContact CE3-CD1 3.69Å; W69-Y84 HydrophobicContact CE3-CD1 3.69Å; W69-Y84 AromaticContact CE3-CE1 3.83Å; W69-Y84 HydrophobicContact CE3-CE1 3.83Å; W69-Y84 HydrophobicContact CH2-CD1 4.04Å; W69-Y84 AromaticContact CH2-CE1 3.81Å; W69-Y84 HydrophobicContact CH2-CE1 3.81Å; W69-Y84 AromaticContact CZ3-CD1 3.61Å; W69-Y84 HydrophobicContact CZ3-CD1 3.61Å; W69-Y84 AromaticContact CZ3-CE1 3.32Å; W69-Y84 HydrophobicContact CZ3-CE1 3.32Å
70D93.3Very high86.7Confident0 Ų064 Ų640%030%0.295CS..EExtended strand (participates in β ladder)trans-87121.9171.9177.138.6000109.4K28 T29 L32 I50 D51K28-D70 VanDerWaalsContact CB-OD1 3.25Å; K28-D70 WeakPolarHBondContact CB-OD1 3.1Å; T29-D70 VanDerWaalsContact CA-OD2 3.32Å; T29-D70 WeakPolarHBondContact CA-OD2 3.46Å; T29-D70 VanDerWaalsContact CB-OD2 3.25Å; T29-D70 WeakPolarHBondContact CB-OD2 3.16Å; T29-D70 PolarHBondContact OG1-OD2 2.81Å; L32-D70 HydrophobicContact CD2-CB 3.72Å; I50-D70 CarbonylContact C-O 3.59Å; I50-D70 VanDerWaalsContact CA-O 3.29Å; I50-D70 WeakPolarHBondContact CA-O 3.4Å; I50-D70 VanDerWaalsContact CG2-O 3.25Å; I50-D70 WeakPolarHBondContact CG2-O 3.46Å; D51-D70 HydrophobicContact CB-CB 4.34Å; D51-D70 PolarHBondContact N-O 2.93Å; D51-D70 PolarHBondContact O-N 2.93Å
71T88.3Confident86.4Confident0 Ų057.5 Ų57.50%026%0.264CS..EExtended strand (participates in β ladder)trans-103.8148-171.266.20000112I20 I21 K28 I50 G73 T81I20-T71 PolarHBondContact O-N 3.33Å; I20-T71 PolarHBondContact O-OG1 2.76Å; I21-T71 HydrophobicContact CG2-CG2 4.17Å; K28-T71 WeakPolarHBondContact CE-O 2.97Å; I50-T71 HydrophobicContact CD1-CG2 4.42Å; T71-G73 PolarHBondContact O-N 3.46Å; T71-T81 HydrophobicContact CG2-CG2 4.09Å
72A84.3Confident86.3Confident0 Ų050.9 Ų50.90%023%0.23CC..PPolyproline II helixtrans-64.3136.616700000110.7T47 G49 Y77 T81T47-A72 VanDerWaalsContact O-CB 3.29Å; T47-A72 WeakPolarHBondContact O-CB 3.45Å; G49-A72 WeakPolarHBondContact O-CB 3.49Å; G49-A72 PolarHBondContact O-N 2.87Å; A72-Y77 HydrophobicContact CB-CD2 3.54Å; A72-Y77 HydrophobicContact CB-CE2 4.39Å; A72-Y77 HydrophobicContact CB-CG 3.97Å; A72-T81 PolarHBondContact O-OG1 3.45Å
73G75.4Confident86.1Confident11 Ų1150.1 Ų50.111%0.11324%0.239CC..  trans-94.74.2179.500000115G22 S24 T71G22-G73 VanDerWaalsContact O-CA 3.24Å; G22-G73 WeakPolarHBondContact O-CA 3.38Å; S24-G73 PolarHBondContact N-O 3.27Å; S24-G73 VanDerWaalsContact N-O 3.09Å; T71-G73 PolarHBondContact O-N 3.46Å
74Q80.2Confident85.8Confident60 Ų6049.3 Ų49.328%0.2824%0.237SC..SBendtrans-87141.6179-61.2-72.311.300110.5S24 R76 Y77S24-Q74 PolarHBondContact OG-NE2 3.13Å; Q74-R76 VanDerWaalsContact C-N 3.28Å; Q74-R76 PolarHBondContact O-N 3.47Å; Q74-Y77 HydrophobicContact CB-CD2 3.91Å; Q74-Y77 HydrophobicContact CB-CE2 4.31Å; Q74-Y77 PolarHBondContact O-N 2.95Å
75E71Confident85.6Confident122 Ų12249.3 Ų49.357%0.5724%0.237SC*.G310 helixtrans-56.3-38.4-179.873-57.8138.100113Y77 R78E75-Y77 PolarHBondContact O-N 3.09Å; E75-Y77 VanDerWaalsContact O-N 3.09Å; E75-R78 WeakPolarHBondContact O-CB 3.31Å; E75-R78 PolarHBondContact O-N 3.41Å
76R78.9Confident85.2Confident197 Ų19756.7 Ų56.774%0.74326%0.264SS*.G310 helixtrans-61.1-19.4178.1-79.7-179.4-62.6159.82.9114Q74Q74-R76 VanDerWaalsContact C-N 3.28Å; Q74-R76 PolarHBondContact O-N 3.47Å
77Y79.7Confident84.9Confident62 Ų6258.1 Ų58.124%0.24328%0.279CS..G310 helixtrans-100.34.2175.9-58-60000113.5V48 A72 Q74 E75 T79 I80 T81V48-Y77 HydrophobicContact CG1-CE1 4.41Å; A72-Y77 HydrophobicContact CB-CD2 3.54Å; A72-Y77 HydrophobicContact CB-CE2 4.39Å; A72-Y77 HydrophobicContact CB-CG 3.97Å; Q74-Y77 HydrophobicContact CB-CD2 3.91Å; Q74-Y77 HydrophobicContact CB-CE2 4.31Å; Q74-Y77 PolarHBondContact O-N 2.95Å; E75-Y77 PolarHBondContact O-N 3.09Å; E75-Y77 VanDerWaalsContact O-N 3.09Å; Y77-T79 VanDerWaalsContact C-N 3.33Å; Y77-T79 PolarHBondContact O-N 2.75Å; Y77-I80 HydrophobicContact CD1-CD1 4.4Å; Y77-I80 WeakPolarHBondContact O-CB 3.43Å; Y77-I80 PolarHBondContact O-N 2.87Å; Y77-T81 PolarHBondContact O-N 2.97Å; Y77-T81 PolarHBondContact O-OG1 3.24Å
78R76.7Confident84.8Confident123 Ų12355.9 Ų55.946%0.46427%0.269SS..Hα-helixtrans-54.7-43.6-173.2-172.2175.6-175.7179.9-1.1113.4E75 I80 T81 T82 Q112E75-R78 WeakPolarHBondContact O-CB 3.31Å; E75-R78 PolarHBondContact O-N 3.41Å; R78-I80 VanDerWaalsContact C-N 3.3Å; R78-I80 PolarHBondContact O-N 3Å; R78-T81 PolarHBondContact O-N 3.1Å; R78-T82 HydrophobicContact CG-CG2 4.43Å; R78-T82 WeakPolarHBondContact O-CG2 3.34Å; R78-T82 PolarHBondContact O-N 3.08Å; R78-T82 PolarHBondContact O-OG1 3.16Å; R78-Q112 VanDerWaalsContact NE-CD 3.29Å
79T79.6Confident84.7Confident117 Ų11758.5 Ų58.572%0.71828%0.282SS*.Hα-helixtrans-61.7-37.7178-51.50000112.5Y77 T82 A83Y77-T79 VanDerWaalsContact C-N 3.33Å; Y77-T79 PolarHBondContact O-N 2.75Å; T79-T82 PolarHBondContact O-OG1 2.92Å; T79-A83 PolarHBondContact O-N 2.89Å
80I77.5Confident84.9Confident79 Ų7956.6 Ų56.641%0.40528%0.275SS..Hα-helixtrans-68.1-50.7175.8-60.5177.4000108.1I50 Y77 R78 T82 A83 Y84I50-I80 HydrophobicContact CD1-CG2 4.04Å; I50-I80 HydrophobicContact CG1-CG2 4.27Å; Y77-I80 HydrophobicContact CD1-CD1 4.4Å; Y77-I80 WeakPolarHBondContact O-CB 3.43Å; Y77-I80 PolarHBondContact O-N 2.87Å; R78-I80 VanDerWaalsContact C-N 3.3Å; R78-I80 PolarHBondContact O-N 3Å; I80-T82 PolarHBondContact O-N 3.36Å; I80-A83 WeakPolarHBondContact O-CB 3.26Å; I80-A83 PolarHBondContact O-N 3.35Å; I80-A83 VanDerWaalsContact O-N 3.16Å; I80-Y84 HydrophobicContact CG2-CE2 3.92Å; I80-Y84 WeakPolarHBondContact O-CD2 3.47Å
81T81.1Confident85.1Confident1 Ų156.6 Ų56.61%0.00628%0.275CS..Hα-helixtrans-54.1-47.7-180-62.50000112.9T71 A72 Y77 R78 A83 Y84 Y85 W109T71-T81 HydrophobicContact CG2-CG2 4.09Å; A72-T81 PolarHBondContact O-OG1 3.45Å; Y77-T81 PolarHBondContact O-N 2.97Å; Y77-T81 PolarHBondContact O-OG1 3.24Å; R78-T81 PolarHBondContact O-N 3.1Å; T81-A83 VanDerWaalsContact C-N 3.31Å; T81-A83 PolarHBondContact O-N 3.23Å; T81-Y84 PolarHBondContact O-N 3.08Å; T81-Y85 HydrophobicContact CG2-CE1 3.59Å; T81-Y85 WeakPolarHBondContact O-CD1 3.48Å; T81-Y85 WeakPolarHBondContact O-CE1 3.43Å; T81-W109 HydrophobicContact CG2-CZ3 4.41Å
82T83.2Confident85.6Confident23 Ų2356.7 Ų56.714%0.14128%0.275CS..Hα-helixtrans-68.5-27.2-177.955.70000113.2R78 T79 I80 Y84 Y85 Y116R78-T82 HydrophobicContact CG-CG2 4.43Å; R78-T82 WeakPolarHBondContact O-CG2 3.34Å; R78-T82 PolarHBondContact O-N 3.08Å; R78-T82 PolarHBondContact O-OG1 3.16Å; T79-T82 PolarHBondContact O-OG1 2.92Å; I80-T82 PolarHBondContact O-N 3.36Å; T82-Y84 PolarHBondContact O-N 3.5Å; T82-Y85 WeakPolarHBondContact O-CB 3.31Å; T82-Y85 PolarHBondContact O-N 2.94Å; T82-Y85 VanDerWaalsContact O-N 3.12Å; T82-Y116 HydrophobicContact CG2-CD2 3.61Å; T82-Y116 HydrophobicContact CG2-CE2 3.77Å; T82-Y116 HydrophobicContact CG2-CG 4.34Å
83A86Confident86.2Confident70 Ų7056.7 Ų56.758%0.57928%0.275SS*.Hα-helixtrans-61.2-27.517500000112.8T79 I80 T81T79-A83 PolarHBondContact O-N 2.89Å; I80-A83 WeakPolarHBondContact O-CB 3.26Å; I80-A83 PolarHBondContact O-N 3.35Å; I80-A83 VanDerWaalsContact O-N 3.16Å; T81-A83 VanDerWaalsContact C-N 3.31Å; T81-A83 PolarHBondContact O-N 3.23Å
84Y87.5Confident87.4Confident56 Ų5656.2 Ų56.222%0.2227%0.27CS..THydrogen-bonded Turntrans-86.8-7.4179.6-68.7-100.6000113.5K17 I50 W69 I80 T81 T82 R86K17-Y84 WeakPolarHBondContact CE-O 3.45Å; K17-Y84 PolarHBondContact NZ-O 2.96Å; I50-Y84 HydrophobicContact CD1-CD1 4.23Å; I50-Y84 HydrophobicContact CD1-CD2 3.1Å; I50-Y84 HydrophobicContact CD1-CE1 4.39Å; I50-Y84 HydrophobicContact CD1-CE2 3.31Å; I50-Y84 HydrophobicContact CD1-CG 3.6Å; I50-Y84 HydrophobicContact CG1-CE2 4.46Å; W69-Y84 HydrophobicContact CD2-CD1 4.18Å; W69-Y84 AromaticContact CE3-CD1 3.69Å; W69-Y84 HydrophobicContact CE3-CD1 3.69Å; W69-Y84 AromaticContact CE3-CE1 3.83Å; W69-Y84 HydrophobicContact CE3-CE1 3.83Å; W69-Y84 HydrophobicContact CH2-CD1 4.04Å; W69-Y84 AromaticContact CH2-CE1 3.81Å; W69-Y84 HydrophobicContact CH2-CE1 3.81Å; W69-Y84 AromaticContact CZ3-CD1 3.61Å; W69-Y84 HydrophobicContact CZ3-CD1 3.61Å; W69-Y84 AromaticContact CZ3-CE1 3.32Å; W69-Y84 HydrophobicContact CZ3-CE1 3.32Å; I80-Y84 HydrophobicContact CG2-CE2 3.92Å; I80-Y84 WeakPolarHBondContact O-CD2 3.47Å; T81-Y84 PolarHBondContact O-N 3.08Å; T82-Y84 PolarHBondContact O-N 3.5Å; Y84-R86 PolarHBondContact O-N 2.95Å
85Y91.5Very high88.2Confident0 Ų053.4 Ų53.40%026%0.257CS..  trans-68.4-27.8-178.6-74.821.2000111.5L19 I21 T81 T82 G87 A88 F91 W109 Q112 I113L19-Y85 HydrophobicContact CD2-CD1 3.48Å; L19-Y85 VanDerWaalsContact CD2-CD1 3.48Å; L19-Y85 HydrophobicContact CD2-CE1 3.87Å; L19-Y85 HydrophobicContact CD2-CG 4.46Å; I21-Y85 HydrophobicContact CG2-CE1 3.98Å; T81-Y85 HydrophobicContact CG2-CE1 3.59Å; T81-Y85 WeakPolarHBondContact O-CD1 3.48Å; T81-Y85 WeakPolarHBondContact O-CE1 3.43Å; T82-Y85 WeakPolarHBondContact O-CB 3.31Å; T82-Y85 PolarHBondContact O-N 2.94Å; T82-Y85 VanDerWaalsContact O-N 3.12Å; Y85-G87 PolarHBondContact O-N 3.15Å; Y85-A88 VanDerWaalsContact O-CB 3.24Å; Y85-A88 WeakPolarHBondContact O-CB 3.33Å; Y85-A88 PolarHBondContact O-N 3.24Å; Y85-F91 AromaticContact CD1-CE1 3.87Å; Y85-F91 HydrophobicContact CD1-CE1 3.87Å; Y85-F91 HydrophobicContact CD1-CZ 4.36Å; Y85-F91 HydrophobicContact CD2-CE1 4.09Å; Y85-F91 HydrophobicContact CD2-CZ 4.2Å; Y85-F91 HydrophobicContact CE1-CE1 4.03Å; Y85-F91 HydrophobicContact CE2-CE1 4.26Å; Y85-F91 AromaticContact CG-CE1 3.9Å; Y85-F91 HydrophobicContact CG-CE1 3.9Å; Y85-F91 AromaticContact CG-CZ 3.99Å; Y85-F91 HydrophobicContact CG-CZ 3.99Å; Y85-W109 WeakPolarHBondContact OH-CZ3 3.25Å; Y85-Q112 HydrophobicContact CE2-CB 3.98Å; Y85-I113 HydrophobicContact CE2-CG1 4.2Å
86R89.2Confident89.5Confident179 Ų17947.8 Ų47.868%0.67523%0.231SC*.THydrogen-bonded Turntrans-60.1125.5176.9-170.5177.9174.5841.2110.6K17 Y84 A88K17-R86 PolarHBondContact NZ-O 3.35Å; Y84-R86 PolarHBondContact O-N 2.95Å; R86-A88 PolarHBondContact O-N 3.33Å
87G90.4Very high90.5Very high30 Ų3038.4 Ų38.431%0.30920%0.195SC..THydrogen-bonded Turntrans73.55.7-179.300000114.8Y85 M89Y85-G87 PolarHBondContact O-N 3.15Å; G87-M89 PolarHBondContact O-N 3Å
88A95Very high91.4Very high3 Ų337.4 Ų37.43%0.02520%0.195CC..  trans-64.4128.5168.300000109.4L19 Y85 R86 F91L19-A88 HydrophobicContact CD1-CB 3.7Å; L19-A88 HydrophobicContact CD2-CB 4.5Å; Y85-A88 VanDerWaalsContact O-CB 3.24Å; Y85-A88 WeakPolarHBondContact O-CB 3.33Å; Y85-A88 PolarHBondContact O-N 3.24Å; R86-A88 PolarHBondContact O-N 3.33Å; A88-F91 HydrophobicContact CB-CD2 4.41Å; A88-F91 HydrophobicContact CB-CE1 4.15Å; A88-F91 HydrophobicContact CB-CE2 3.54Å; A88-F91 HydrophobicContact CB-CZ 3.4Å
89M95.9Very high92.4Very high56 Ų5633.9 Ų33.928%0.27619%0.186SC..  trans-92.1-30178.2-62173.173.100110.9F16 K17 G87 Q122 I176 M180F16-M89 HydrophobicContact CB-SD 4.26Å; F16-M89 HydrophobicContact CD1-CE 3.53Å; F16-M89 HydrophobicContact CD1-SD 3.79Å; F16-M89 HydrophobicContact CE1-CE 3.86Å; F16-M89 HydrophobicContact CG-CE 4.3Å; F16-M89 HydrophobicContact CG-SD 4.32Å; K17-M89 PolarHBondContact O-N 2.85Å; G87-M89 PolarHBondContact O-N 3Å; M89-Q122 PolarHBondContact O-N 3.49Å; M89-I176 HydrophobicContact CB-CD1 4.11Å; M89-I176 HydrophobicContact CB-CG2 4.39Å; M89-I176 HydrophobicContact CE-CG2 3.63Å; M89-M180 HydrophobicContact CE-CE 4.22Å; M89-M180 HydrophobicContact CE-SD 3.75Å
90G97.5Very high93.3Very high0 Ų031.3 Ų31.30%017%0.166CC..EExtended strand (participates in β ladder)trans-140.6147.6179.900000113K17 L18 L19 Q122K17-G90 PolarHBondContact O-N 3.37Å; L18-G90 CarbonylContact C-O 3.56Å; L18-G90 VanDerWaalsContact CA-O 3.31Å; L18-G90 WeakPolarHBondContact CA-O 3.49Å; L19-G90 PolarHBondContact N-O 3.47Å; G90-Q122 CarbonylContact C-O 3.58Å; G90-Q122 VanDerWaalsContact CA-O 3.24Å; G90-Q122 WeakPolarHBondContact CA-O 3.45Å
91F98Very high94.3Very high0 Ų034.3 Ų34.30%018%0.178CC..EExtended strand (participates in β ladder)trans-125.9133.4173-67-96.3000109.9L19 I21 Y85 A88 I113 A121 Q122 V123 V124L19-F91 HydrophobicContact CB-CD1 3.76Å; L19-F91 HydrophobicContact CB-CE1 3.9Å; L19-F91 HydrophobicContact CD2-CD1 4.46Å; L19-F91 HydrophobicContact CD2-CE1 3.77Å; L19-F91 HydrophobicContact CD2-CZ 4.46Å; L19-F91 HydrophobicContact CG-CE1 4.38Å; L19-F91 CarbonylContact O-C 3.37Å; L19-F91 VanDerWaalsContact O-CA 3.31Å; L19-F91 WeakPolarHBondContact O-CA 3.23Å; I21-F91 HydrophobicContact CD1-CD1 4.08Å; I21-F91 HydrophobicContact CG1-CD1 4.37Å; I21-F91 HydrophobicContact CG2-CD1 4.25Å; Y85-F91 AromaticContact CD1-CE1 3.87Å; Y85-F91 HydrophobicContact CD1-CE1 3.87Å; Y85-F91 HydrophobicContact CD1-CZ 4.36Å; Y85-F91 HydrophobicContact CD2-CE1 4.09Å; Y85-F91 HydrophobicContact CD2-CZ 4.2Å; Y85-F91 HydrophobicContact CE1-CE1 4.03Å; Y85-F91 HydrophobicContact CE2-CE1 4.26Å; Y85-F91 AromaticContact CG-CE1 3.9Å; Y85-F91 HydrophobicContact CG-CE1 3.9Å; Y85-F91 AromaticContact CG-CZ 3.99Å; Y85-F91 HydrophobicContact CG-CZ 3.99Å; A88-F91 HydrophobicContact CB-CD2 4.41Å; A88-F91 HydrophobicContact CB-CE1 4.15Å; A88-F91 HydrophobicContact CB-CE2 3.54Å; A88-F91 HydrophobicContact CB-CZ 3.4Å; F91-I113 HydrophobicContact CB-CD1 4.05Å; F91-I113 HydrophobicContact CD1-CD1 4.21Å; F91-I113 HydrophobicContact CD1-CG1 4.1Å; F91-I113 HydrophobicContact CD2-CD1 4.42Å; F91-I113 HydrophobicContact CD2-CG2 3.92Å; F91-I113 HydrophobicContact CE1-CG1 4.24Å; F91-I113 HydrophobicContact CE2-CG2 3.78Å; F91-I113 HydrophobicContact CG-CD1 3.99Å; F91-I113 HydrophobicContact CG-CG1 4.25Å; F91-I113 HydrophobicContact CG-CG2 4.45Å; F91-I113 HydrophobicContact CZ-CG2 4.2Å; F91-A121 HydrophobicContact CD2-CB 3.95Å; F91-A121 HydrophobicContact CE2-CB 3.64Å; F91-Q122 PolarHBondContact N-O 3.08Å; F91-V123 HydrophobicContact CB-CB 4.44Å; F91-V123 HydrophobicContact CB-CG1 4.12Å; F91-V123 HydrophobicContact CB-CG2 4.15Å; F91-V123 HydrophobicContact CD2-CG2 4.31Å; F91-V123 WeakPolarHBondContact O-CA 3.5Å; F91-V124 PolarHBondContact O-N 2.87Å
92I98.6Very high95.1Very high1 Ų134.3 Ų34.31%0.00518%0.178CC..EExtended strand (participates in β ladder)trans-99.9105.4162-61.6173.9000105.8L19 I20 I21 M94 V126 V168 F169 L172L19-I92 PolarHBondContact O-N 3.49Å; I20-I92 WeakPolarHBondContact CA-O 3.25Å; I20-I92 HydrophobicContact CG1-CB 4.37Å; I20-I92 HydrophobicContact CG1-CD1 4.4Å; I20-I92 HydrophobicContact CG2-CB 4.28Å; I20-I92 HydrophobicContact CG2-CG2 4.27Å; I21-I92 PolarHBondContact N-O 3.03Å; I92-M94 HydrophobicContact CG2-CE 4.22Å; I92-V126 HydrophobicContact CG2-CB 4.44Å; I92-V126 HydrophobicContact CG2-CG2 3.74Å; I92-V168 HydrophobicContact CD1-CG1 3.82Å; I92-V168 HydrophobicContact CG1-CG1 4Å; I92-V168 HydrophobicContact CG2-CG1 4.15Å; I92-F169 HydrophobicContact CD1-CD1 3.77Å; I92-F169 HydrophobicContact CD1-CD2 4.27Å; I92-F169 HydrophobicContact CD1-CE1 3.46Å; I92-F169 VanDerWaalsContact CD1-CE1 3.46Å; I92-F169 HydrophobicContact CD1-CE2 4.01Å; I92-F169 HydrophobicContact CD1-CG 4.17Å; I92-F169 HydrophobicContact CD1-CZ 3.6Å; I92-L172 HydrophobicContact CD1-CD2 4.38Å; I92-L172 HydrophobicContact CG1-CD2 3.73Å
93L98.2Very high95.8Very high0 Ų034 Ų340%018%0.175CC..EExtended strand (participates in β ladder)trans-93.5117.9176.4173.853.1000109I21 V106 W109 V110 V123 V124 L125 V126I21-L93 HydrophobicContact CD1-CD1 4.01Å; I21-L93 HydrophobicContact CG1-CB 4.23Å; I21-L93 HydrophobicContact CG1-CD1 3.85Å; L93-V106 HydrophobicContact CD2-CG1 3.85Å; L93-W109 HydrophobicContact CD1-CB 3.44Å; L93-W109 VanDerWaalsContact CD1-CB 3.44Å; L93-W109 HydrophobicContact CD1-CG 3.7Å; L93-W109 HydrophobicContact CD2-CB 3.93Å; L93-W109 HydrophobicContact CG-CB 4.37Å; L93-V110 HydrophobicContact CD2-CG2 3.58Å; L93-V123 HydrophobicContact CB-CG1 4.06Å; L93-V124 PolarHBondContact N-O 3.2Å; L93-L125 HydrophobicContact CB-CD1 4.42Å; L93-L125 HydrophobicContact CD2-CD1 4.3Å; L93-L125 HydrophobicContact CG-CD1 3.97Å; L93-L125 CarbonylContact O-C 3.54Å; L93-L125 WeakPolarHBondContact O-CA 3.44Å; L93-V126 PolarHBondContact O-N 2.94Å
94M98.6Very high96.4Very high2 Ų234.9 Ų34.91%0.0117%0.17CC..EExtended strand (participates in β ladder)trans-116.5135.2-170.6-167.8173.5-67.500112.4I20 I21 G22 V26 K28 F31 I92 V126 N128I20-M94 HydrophobicContact CG2-CE 4.4Å; I21-M94 PolarHBondContact O-N 2.75Å; G22-M94 WeakPolarHBondContact CA-O 3.47Å; V26-M94 HydrophobicContact CB-CG 4.31Å; V26-M94 HydrophobicContact CG2-CB 3.97Å; V26-M94 HydrophobicContact CG2-CG 3.9Å; V26-M94 HydrophobicContact CG2-SD 4.21Å; K28-M94 HydrophobicContact CG-CB 4.41Å; K28-M94 HydrophobicContact CG-SD 4.33Å; F31-M94 HydrophobicContact CB-CE 3.76Å; F31-M94 HydrophobicContact CB-SD 4.49Å; F31-M94 HydrophobicContact CD1-CE 3.82Å; F31-M94 HydrophobicContact CD2-CE 3.76Å; F31-M94 HydrophobicContact CE1-CE 4.3Å; F31-M94 HydrophobicContact CE2-CE 4.25Å; F31-M94 HydrophobicContact CG-CE 3.52Å; F31-M94 HydrophobicContact CZ-CE 4.49Å; I92-M94 HydrophobicContact CG2-CE 4.22Å; M94-V126 WeakPolarHBondContact CA-O 3.48Å; M94-V126 HydrophobicContact CE-CB 4.46Å; M94-V126 HydrophobicContact CE-CG1 4.24Å; M94-V126 HydrophobicContact CG-CB 4.47Å; M94-N128 HydrophobicContact CE-CB 4.41Å; M94-N128 HydrophobicContact CG-CB 3.65Å; M94-N128 HydrophobicContact SD-CB 3.57Å; M94-N128 VanDerWaalsContact SD-CB 3.57Å
95Y98.7Very high96.9Very high0 Ų032.9 Ų32.90%017%0.165CC..EExtended strand (participates in β ladder)trans-120.8165.8162.673.3-88.3000109.7I97 S102 F103 V106 L125 V126 G127 N128 V138 G143 F154Y95-I97 HydrophobicContact CE2-CG2 4Å; Y95-S102 WeakPolarHBondContact CB-O 3.17Å; Y95-F103 HydrophobicContact CD1-CD2 4.22Å; Y95-F103 HydrophobicContact CD2-CB 3.92Å; Y95-F103 HydrophobicContact CD2-CD2 4.01Å; Y95-F103 HydrophobicContact CD2-CG 4.45Å; Y95-F103 HydrophobicContact CE1-CD2 4.04Å; Y95-F103 HydrophobicContact CE2-CB 4.39Å; Y95-F103 AromaticContact CE2-CD2 3.84Å; Y95-F103 HydrophobicContact CE2-CD2 3.84Å; Y95-F103 HydrophobicContact CG-CB 4.29Å; Y95-F103 HydrophobicContact CG-CD2 4.2Å; Y95-F103 AromaticContact CZ-CD2 3.86Å; Y95-V106 HydrophobicContact CD1-CG2 4.12Å; Y95-V106 HydrophobicContact CG-CG2 4.41Å; Y95-L125 HydrophobicContact CD1-CD1 3.95Å; Y95-L125 HydrophobicContact CD1-CG 4.35Å; Y95-L125 HydrophobicContact CE1-CD1 4.26Å; Y95-L125 HydrophobicContact CE1-CD2 4.29Å; Y95-L125 HydrophobicContact CE1-CG 4.15Å; Y95-V126 WeakPolarHBondContact CD1-O 3.42Å; Y95-V126 PolarHBondContact N-O 3.35Å; Y95-G127 VanDerWaalsContact CE1-CA 3.45Å; Y95-N128 PolarHBondContact O-N 3.3Å; Y95-V138 HydrophobicContact CE2-CB 4.08Å; Y95-V138 HydrophobicContact CE2-CG1 3.86Å; Y95-V138 HydrophobicContact CE2-CG2 4.4Å; Y95-G143 WeakPolarHBondContact OH-CA 3.41Å; Y95-F154 HydrophobicContact CE1-CE2 4.07Å; Y95-F154 WeakPolarHBondContact OH-CE2 3.47Å
96D98.6Very high97.2Very high5 Ų533 Ų333%0.02717%0.165CC..EExtended strand (participates in β ladder)trans-101.1125.6174.6173.7-5.5000109.1V26 T98 N99 S102 K129V26-D96 HydrophobicContact CB-CB 4.2Å; V26-D96 HydrophobicContact CG1-CB 4.16Å; D96-T98 PolarHBondContact O-N 2.73Å; D96-T98 VanDerWaalsContact O-N 3.12Å; D96-T98 WeakPolarHBondContact OD1-CB 3.49Å; D96-T98 PolarHBondContact OD1-N 3.48Å; D96-T98 PolarHBondContact OD1-OG1 3.4Å; D96-T98 PolarHBondContact OD2-OG1 3.49Å; D96-N99 HydrophobicContact CB-CB 3.98Å; D96-N99 PolarHBondContact O-N 3.09Å; D96-S102 PolarHBondContact N-OG 3.27Å; D96-S102 PolarHBondContact O-OG 2.91Å; D96-K129 WeakPolarHBondContact OD2-CD 3.23Å; D96-K129 WeakPolarHBondContact OD2-CE 3.41Å; D96-K129 IonicContact OD2-NZ 3.86Å; D96-K129 PolarHBondContact OD2-NZ 3.49Å
97I98.8Very high97.5Very high0 Ų029.8 Ų29.80%016%0.158CC..THydrogen-bonded Turntrans-63.3-17.9-177.963.2139000113.8Y95 N128 K129 R136 A137 V138Y95-I97 HydrophobicContact CE2-CG2 4Å; I97-N128 WeakPolarHBondContact CG1-O 3.35Å; I97-N128 PolarHBondContact N-O 3.28Å; I97-K129 WeakPolarHBondContact CD1-O 3.41Å; I97-K129 HydrophobicContact CG1-CB 4.46Å; I97-K129 WeakPolarHBondContact CG1-O 3.24Å; I97-R136 HydrophobicContact CD1-CB 4.16Å; I97-R136 HydrophobicContact CD1-CG 4.15Å; I97-R136 VanDerWaalsContact CD1-CZ 3.46Å; I97-A137 PolarHBondContact O-N 3.45Å; I97-V138 PolarHBondContact O-N 2.93Å
98T98.6Very high97.7Very high40 Ų4033.2 Ų33.225%0.24517%0.169CC..THydrogen-bonded Turntrans-90.1-7.7176.3710000112.5D96 L132 D135D96-T98 PolarHBondContact O-N 2.73Å; D96-T98 VanDerWaalsContact O-N 3.12Å; D96-T98 WeakPolarHBondContact OD1-CB 3.49Å; D96-T98 PolarHBondContact OD1-N 3.48Å; D96-T98 PolarHBondContact OD1-OG1 3.4Å; D96-T98 PolarHBondContact OD2-OG1 3.49Å; T98-L132 HydrophobicContact CG2-CB 3.65Å; T98-L132 HydrophobicContact CG2-CD1 3.82Å; T98-L132 HydrophobicContact CG2-CG 4.39Å; T98-D135 WeakPolarHBondContact CA-O 3.25Å; T98-D135 WeakPolarHBondContact CB-O 3.32Å; T98-D135 HydrophobicContact CG2-CB 3.73Å; T98-D135 WeakPolarHBondContact CG2-O 3.24Å
99N98.2Very high97.7Very high50 Ų5034 Ų3427%0.26717%0.172SC..  trans-123.2100.6-174.3-173.9-38.9000111.8D96 E101 S102 F103D96-N99 HydrophobicContact CB-CB 3.98Å; D96-N99 PolarHBondContact O-N 3.09Å; N99-E101 VanDerWaalsContact C-N 3.32Å; N99-E101 PolarHBondContact O-N 3.23Å; N99-E101 WeakPolarHBondContact OD1-CA 3.13Å; N99-E101 WeakPolarHBondContact OD1-CB 3.29Å; N99-E101 PolarHBondContact OD1-N 3.35Å; N99-S102 PolarHBondContact O-N 2.76Å; N99-S102 PolarHBondContact O-OG 2.96Å; N99-S102 PolarHBondContact OD1-N 2.78Å; N99-F103 PolarHBondContact O-N 2.95Å
100E98.2Very high97.6Very high62 Ų6231.8 Ų31.829%0.2916%0.161SC..Hα-helixtrans-58-37.7178.4-171.762.6-151.500113.6S102 F103 N104 V138 R142E100-S102 VanDerWaalsContact C-N 3.34Å; E100-S102 PolarHBondContact O-N 2.85Å; E100-F103 WeakPolarHBondContact O-CB 3.46Å; E100-F103 PolarHBondContact O-N 2.86Å; E100-N104 VanDerWaalsContact O-CG 3.32Å; E100-N104 PolarHBondContact O-N 2.84Å; E100-N104 PolarHBondContact O-ND2 2.96Å; E100-V138 WeakPolarHBondContact OE2-CG2 3.49Å; E100-R142 IonicContact OE1-CZ 2.71Å; E100-R142 IonicContact OE1-NH1 3.69Å; E100-R142 PolarHBondContact OE1-NH1 3.4Å; E100-R142 VanDerWaalsContact OE1-NH1 3.17Å; E100-R142 IonicContact OE1-NH2 3.71Å; E100-R142 PolarHBondContact OE1-NH2 2.99Å; E100-R142 IonicContact OE2-CZ 2.76Å; E100-R142 IonicContact OE2-NH1 2.73Å; E100-R142 PolarHBondContact OE2-NH1 3.24Å; E100-R142 IonicContact OE2-NH2 3.51Å
101E97.9Very high97.5Very high142 Ų14235.7 Ų35.766%0.66419%0.186SC*.Hα-helixtrans-64-40.7178.2-174-174.8177.600111.3N99 F103 N104 A105N99-E101 VanDerWaalsContact C-N 3.32Å; N99-E101 PolarHBondContact O-N 3.23Å; N99-E101 WeakPolarHBondContact OD1-CA 3.13Å; N99-E101 WeakPolarHBondContact OD1-CB 3.29Å; N99-E101 PolarHBondContact OD1-N 3.35Å; E101-F103 VanDerWaalsContact C-N 3.27Å; E101-F103 PolarHBondContact O-N 2.98Å; E101-N104 PolarHBondContact O-N 3.47Å; E101-A105 WeakPolarHBondContact O-CB 3.25Å; E101-A105 PolarHBondContact O-N 2.8Å
102S98.1Very high97.2Very high2 Ų236.1 Ų36.11%0.01419%0.188CC..Hα-helixtrans-64.7-32.2177.179.80000112.8Y95 D96 N99 E100Y95-S102 WeakPolarHBondContact CB-O 3.17Å; D96-S102 PolarHBondContact N-OG 3.27Å; D96-S102 PolarHBondContact O-OG 2.91Å; N99-S102 PolarHBondContact O-N 2.76Å; N99-S102 PolarHBondContact O-OG 2.96Å; N99-S102 PolarHBondContact OD1-N 2.78Å; E100-S102 VanDerWaalsContact C-N 3.34Å; E100-S102 PolarHBondContact O-N 2.85Å
103F98.7Very high96.9Very high16 Ų1636.4 Ų36.47%0.0719%0.189CC..Hα-helixtrans-72.1-45.1174.1174.7-102.4000111.6Y95 N99 E100 E101 A105 V106 V138 R142 L146Y95-F103 HydrophobicContact CD1-CD2 4.22Å; Y95-F103 HydrophobicContact CD2-CB 3.92Å; Y95-F103 HydrophobicContact CD2-CD2 4.01Å; Y95-F103 HydrophobicContact CD2-CG 4.45Å; Y95-F103 HydrophobicContact CE1-CD2 4.04Å; Y95-F103 HydrophobicContact CE2-CB 4.39Å; Y95-F103 AromaticContact CE2-CD2 3.84Å; Y95-F103 HydrophobicContact CE2-CD2 3.84Å; Y95-F103 HydrophobicContact CG-CB 4.29Å; Y95-F103 HydrophobicContact CG-CD2 4.2Å; Y95-F103 AromaticContact CZ-CD2 3.86Å; N99-F103 PolarHBondContact O-N 2.95Å; E100-F103 WeakPolarHBondContact O-CB 3.46Å; E100-F103 PolarHBondContact O-N 2.86Å; E101-F103 VanDerWaalsContact C-N 3.27Å; E101-F103 PolarHBondContact O-N 2.98Å; F103-A105 PolarHBondContact O-N 2.86Å; F103-V106 VanDerWaalsContact O-CB 3.25Å; F103-V106 WeakPolarHBondContact O-CB 3.29Å; F103-V106 VanDerWaalsContact O-CG2 3.23Å; F103-V106 WeakPolarHBondContact O-CG2 3.44Å; F103-V106 PolarHBondContact O-N 2.8Å; F103-V106 VanDerWaalsContact O-N 3.1Å; F103-V138 HydrophobicContact CB-CG1 4.45Å; F103-V138 HydrophobicContact CB-CG2 3.73Å; F103-V138 HydrophobicContact CD1-CG1 4.28Å; F103-V138 HydrophobicContact CD1-CG2 4.4Å; F103-V138 HydrophobicContact CD2-CG1 3.71Å; F103-V138 HydrophobicContact CE1-CG1 4.5Å; F103-V138 HydrophobicContact CE2-CG1 3.95Å; F103-V138 HydrophobicContact CG-CG1 3.88Å; F103-V138 HydrophobicContact CG-CG2 3.98Å; F103-V138 HydrophobicContact CZ-CG1 4.33Å; F103-R142 HydrophobicContact CZ-CB 4.15Å; F103-L146 HydrophobicContact CD2-CD2 4.07Å; F103-L146 HydrophobicContact CE1-CD2 4.31Å; F103-L146 HydrophobicContact CE2-CB 4.01Å; F103-L146 HydrophobicContact CE2-CD2 3.43Å; F103-L146 VanDerWaalsContact CE2-CD2 3.43Å; F103-L146 HydrophobicContact CE2-CG 4.36Å; F103-L146 HydrophobicContact CZ-CB 3.86Å; F103-L146 HydrophobicContact CZ-CD2 3.58Å; F103-L146 HydrophobicContact CZ-CG 4.32Å
104N98.1Very high96.7Very high89 Ų8943.4 Ų43.448%0.47622%0.219SC..Hα-helixtrans-62.8-33.1178.6-69.1-31.3000112.3E100 E101 V106E100-N104 VanDerWaalsContact O-CG 3.32Å; E100-N104 PolarHBondContact O-N 2.84Å; E100-N104 PolarHBondContact O-ND2 2.96Å; E101-N104 PolarHBondContact O-N 3.47Å; N104-V106 PolarHBondContact O-N 2.78Å
105A97Very high96.4Very high14 Ų1447.5 Ų47.512%0.11625%0.245CC..THydrogen-bonded Turntrans-70.3-11.8176.800000114.5N23 E101 F103 Q107 D108 W109N23-A105 WeakPolarHBondContact OD1-CB 3.42Å; E101-A105 WeakPolarHBondContact O-CB 3.25Å; E101-A105 PolarHBondContact O-N 2.8Å; F103-A105 PolarHBondContact O-N 2.86Å; A105-Q107 VanDerWaalsContact C-N 3.26Å; A105-Q107 PolarHBondContact O-N 2.89Å; A105-D108 WeakPolarHBondContact O-CB 3.25Å; A105-D108 PolarHBondContact O-N 2.84Å; A105-D108 VanDerWaalsContact O-N 3.08Å; A105-W109 PolarHBondContact O-N 2.86Å; A105-W109 VanDerWaalsContact O-N 3.1Å
106V98Very high96Very high1 Ų153.2 Ų53.21%0.00627%0.267CS..Hα-helixtrans-55.7-39.8-178.1166.60000112L93 Y95 F103 N104 D108 W109 V110 L125 L146 L150L93-V106 HydrophobicContact CD2-CG1 3.85Å; Y95-V106 HydrophobicContact CD1-CG2 4.12Å; Y95-V106 HydrophobicContact CG-CG2 4.41Å; F103-V106 VanDerWaalsContact O-CB 3.25Å; F103-V106 WeakPolarHBondContact O-CB 3.29Å; F103-V106 VanDerWaalsContact O-CG2 3.23Å; F103-V106 WeakPolarHBondContact O-CG2 3.44Å; F103-V106 PolarHBondContact O-N 2.8Å; F103-V106 VanDerWaalsContact O-N 3.1Å; N104-V106 PolarHBondContact O-N 2.78Å; V106-D108 VanDerWaalsContact C-N 3.33Å; V106-D108 PolarHBondContact O-N 2.84Å; V106-W109 PolarHBondContact O-N 3.01Å; V106-V110 WeakPolarHBondContact O-CG2 3.29Å; V106-V110 PolarHBondContact O-N 3.23Å; V106-L125 HydrophobicContact CG1-CD1 3.71Å; V106-L125 HydrophobicContact CG1-CD2 4.36Å; V106-L125 HydrophobicContact CG2-CD1 3.96Å; V106-L146 HydrophobicContact CB-CD2 3.89Å; V106-L146 HydrophobicContact CG1-CD2 3.74Å; V106-L146 HydrophobicContact CG1-CG 4.46Å; V106-L146 HydrophobicContact CG2-CD2 4.44Å; V106-L150 HydrophobicContact CG1-CD1 3.94Å
107Q96.7Very high95.6Very high112 Ų11253.8 Ų53.852%0.52327%0.272SS..Hα-helixtrans-65.1-37.7179.5-66.9-176.962.200112.2A105 W109 V110 T111 L146A105-Q107 VanDerWaalsContact C-N 3.26Å; A105-Q107 PolarHBondContact O-N 2.89Å; Q107-W109 VanDerWaalsContact C-N 3.34Å; Q107-V110 PolarHBondContact O-N 3.1Å; Q107-T111 PolarHBondContact O-N 3Å; Q107-T111 PolarHBondContact O-OG1 2.95Å; Q107-L146 HydrophobicContact CG-CD1 4.16Å
108D94.1Very high94.7Very high102 Ų10260.8 Ų60.855%0.54530%0.298SS..Hα-helixtrans-67-37.6175.9-67.5-18.9000111.4A105 V106 T111 Q112A105-D108 WeakPolarHBondContact O-CB 3.25Å; A105-D108 PolarHBondContact O-N 2.84Å; A105-D108 VanDerWaalsContact O-N 3.08Å; V106-D108 VanDerWaalsContact C-N 3.33Å; V106-D108 PolarHBondContact O-N 2.84Å; D108-T111 PolarHBondContact O-N 3.47Å; D108-Q112 WeakPolarHBondContact O-CG 3.33Å; D108-Q112 PolarHBondContact O-N 3.47Å; D108-Q112 VanDerWaalsContact O-N 3.09Å; D108-Q112 PolarHBondContact O-NE2 2.85Å
109W94.7Very high93.8Very high20 Ų2066.5 Ų66.58%0.07633%0.327CS..Hα-helixtrans-65.4-44.5173.4-72.9110.1000112I21 G22 N23 T81 Y85 L93 A105 V106 Q107 T111 Q112 I113I21-W109 HydrophobicContact CB-CE3 4.37Å; I21-W109 HydrophobicContact CD1-CB 4.31Å; I21-W109 HydrophobicContact CD1-CE3 4.04Å; G22-W109 VanDerWaalsContact C-CZ2 3.46Å; G22-W109 WeakPolarHBondContact O-CZ2 2.85Å; N23-W109 PolarHBondContact OD1-NE1 3.29Å; T81-W109 HydrophobicContact CG2-CZ3 4.41Å; Y85-W109 WeakPolarHBondContact OH-CZ3 3.25Å; L93-W109 HydrophobicContact CD1-CB 3.44Å; L93-W109 VanDerWaalsContact CD1-CB 3.44Å; L93-W109 HydrophobicContact CD1-CG 3.7Å; L93-W109 HydrophobicContact CD2-CB 3.93Å; L93-W109 HydrophobicContact CG-CB 4.37Å; A105-W109 PolarHBondContact O-N 2.86Å; A105-W109 VanDerWaalsContact O-N 3.1Å; V106-W109 PolarHBondContact O-N 3.01Å; Q107-W109 VanDerWaalsContact C-N 3.34Å; W109-T111 VanDerWaalsContact C-N 3.3Å; W109-T111 PolarHBondContact O-N 3.45Å; W109-Q112 WeakPolarHBondContact O-CB 3.46Å; W109-Q112 PolarHBondContact O-N 3.33Å; W109-Q112 VanDerWaalsContact O-N 3.13Å; W109-I113 WeakPolarHBondContact O-CG1 3.24Å; W109-I113 PolarHBondContact O-N 3.31Å
110V95.1Very high93.2Very high9 Ų968.5 Ų68.56%0.05534%0.338CS..Hα-helixtrans-61.4-40.4176170.10000111.6L93 V106 Q107 Q112 I113 K114 L150 L152L93-V110 HydrophobicContact CD2-CG2 3.58Å; V106-V110 WeakPolarHBondContact O-CG2 3.29Å; V106-V110 PolarHBondContact O-N 3.23Å; Q107-V110 PolarHBondContact O-N 3.1Å; V110-Q112 VanDerWaalsContact C-N 3.28Å; V110-Q112 PolarHBondContact O-N 2.81Å; V110-I113 PolarHBondContact O-N 2.91Å; V110-K114 HydrophobicContact CG1-CD 4.15Å; V110-K114 HydrophobicContact CG1-CG 4.46Å; V110-K114 WeakPolarHBondContact O-CG 3.33Å; V110-K114 PolarHBondContact O-N 2.94Å; V110-L150 HydrophobicContact CG1-CD2 4.41Å; V110-L150 HydrophobicContact CG2-CD1 4.11Å; V110-L152 HydrophobicContact CG2-CD1 4.05Å
111T93.6Very high93Very high83 Ų8366.3 Ų66.351%0.50933%0.33SS..Hα-helixtrans-60-40.7175.4-59.10000111.2Q107 D108 W109 K114 T115Q107-T111 PolarHBondContact O-N 3Å; Q107-T111 PolarHBondContact O-OG1 2.95Å; D108-T111 PolarHBondContact O-N 3.47Å; W109-T111 VanDerWaalsContact C-N 3.3Å; W109-T111 PolarHBondContact O-N 3.45Å; T111-K114 PolarHBondContact O-N 3.27Å; T111-T115 WeakPolarHBondContact O-CB 3.33Å; T111-T115 PolarHBondContact O-N 3.29Å; T111-T115 PolarHBondContact O-OG1 3Å
112Q91.8Very high92.9Very high9 Ų961.3 Ų61.34%0.04231%0.307CS..Hα-helixtrans-65.4-42.9175.2-70.9173.778.500112.7R78 Y85 D108 W109 V110 T115 Y116R78-Q112 VanDerWaalsContact NE-CD 3.29Å; Y85-Q112 HydrophobicContact CE2-CB 3.98Å; D108-Q112 WeakPolarHBondContact O-CG 3.33Å; D108-Q112 PolarHBondContact O-N 3.47Å; D108-Q112 VanDerWaalsContact O-N 3.09Å; D108-Q112 PolarHBondContact O-NE2 2.85Å; W109-Q112 WeakPolarHBondContact O-CB 3.46Å; W109-Q112 PolarHBondContact O-N 3.33Å; W109-Q112 VanDerWaalsContact O-N 3.13Å; V110-Q112 VanDerWaalsContact C-N 3.28Å; V110-Q112 PolarHBondContact O-N 2.81Å; Q112-T115 PolarHBondContact O-N 3.48Å; Q112-Y116 HydrophobicContact CB-CD2 4.31Å; Q112-Y116 HydrophobicContact CG-CE2 4.48Å; Q112-Y116 WeakPolarHBondContact O-CD2 3.49Å; Q112-Y116 PolarHBondContact O-N 3.12Å
113I93.6Very high92.9Very high7 Ų762.3 Ų62.34%0.03631%0.313CS..Hα-helixtrans-55.8-55.8174.9-63171.5000108.7I21 Y85 F91 W109 V110 T115 Y116 S117 V123I21-I113 HydrophobicContact CD1-CD1 3.71Å; I21-I113 HydrophobicContact CD1-CG1 3.74Å; Y85-I113 HydrophobicContact CE2-CG1 4.2Å; F91-I113 HydrophobicContact CB-CD1 4.05Å; F91-I113 HydrophobicContact CD1-CD1 4.21Å; F91-I113 HydrophobicContact CD1-CG1 4.1Å; F91-I113 HydrophobicContact CD2-CD1 4.42Å; F91-I113 HydrophobicContact CD2-CG2 3.92Å; F91-I113 HydrophobicContact CE1-CG1 4.24Å; F91-I113 HydrophobicContact CE2-CG2 3.78Å; F91-I113 HydrophobicContact CG-CD1 3.99Å; F91-I113 HydrophobicContact CG-CG1 4.25Å; F91-I113 HydrophobicContact CG-CG2 4.45Å; F91-I113 HydrophobicContact CZ-CG2 4.2Å; W109-I113 WeakPolarHBondContact O-CG1 3.24Å; W109-I113 PolarHBondContact O-N 3.31Å; V110-I113 PolarHBondContact O-N 2.91Å; I113-T115 PolarHBondContact O-N 2.84Å; I113-T115 VanDerWaalsContact O-N 3.11Å; I113-Y116 PolarHBondContact O-N 3.07Å; I113-S117 VanDerWaalsContact CG2-OG 3.28Å; I113-S117 WeakPolarHBondContact CG2-OG 3.5Å; I113-S117 WeakPolarHBondContact O-CA 3.47Å; I113-S117 VanDerWaalsContact O-CB 3.24Å; I113-S117 WeakPolarHBondContact O-CB 3.34Å; I113-S117 PolarHBondContact O-N 2.98Å; I113-S117 PolarHBondContact O-OG 3.01Å; I113-V123 HydrophobicContact CD1-CB 4.49Å; I113-V123 HydrophobicContact CD1-CG1 3.84Å; I113-V123 HydrophobicContact CD1-CG2 3.77Å; I113-V123 HydrophobicContact CG2-CG2 4.07Å
114K92.8Very high92.9Very high146 Ų14661.5 Ų61.564%0.63531%0.31SS*.Hα-helixtrans-57.4-30.9-179.3-69.5178.2179-179.90113.7V110 T111V110-K114 HydrophobicContact CG1-CD 4.15Å; V110-K114 HydrophobicContact CG1-CG 4.46Å; V110-K114 WeakPolarHBondContact O-CG 3.33Å; V110-K114 PolarHBondContact O-N 2.94Å; T111-K114 PolarHBondContact O-N 3.27Å
115T92.9Very high92.9Very high89 Ų8957.3 Ų57.355%0.54629%0.287SS..Hα-helixtrans-80-37.8-178.8-55.70000112.9T111 Q112 I113T111-T115 WeakPolarHBondContact O-CB 3.33Å; T111-T115 PolarHBondContact O-N 3.29Å; T111-T115 PolarHBondContact O-OG1 3Å; Q112-T115 PolarHBondContact O-N 3.48Å; I113-T115 PolarHBondContact O-N 2.84Å; I113-T115 VanDerWaalsContact O-N 3.11Å
116Y91.5Very high93Very high119 Ų11956.6 Ų56.647%0.46728%0.281SS..Hα-helixtrans-117.2-13.7-167.3-57.4-67.8000114.7T82 Q112 I113T82-Y116 HydrophobicContact CG2-CD2 3.61Å; T82-Y116 HydrophobicContact CG2-CE2 3.77Å; T82-Y116 HydrophobicContact CG2-CG 4.34Å; Q112-Y116 HydrophobicContact CB-CD2 4.31Å; Q112-Y116 HydrophobicContact CG-CE2 4.48Å; Q112-Y116 WeakPolarHBondContact O-CD2 3.49Å; Q112-Y116 PolarHBondContact O-N 3.12Å; I113-Y116 PolarHBondContact O-N 3.07Å
117S89.2Confident93.1Very high18 Ų1856.6 Ų56.613%0.12628%0.281CS..SBendtrans-91.8176.2174.881.80000111.7I113I113-S117 VanDerWaalsContact CG2-OG 3.28Å; I113-S117 WeakPolarHBondContact CG2-OG 3.5Å; I113-S117 WeakPolarHBondContact O-CA 3.47Å; I113-S117 VanDerWaalsContact O-CB 3.24Å; I113-S117 WeakPolarHBondContact O-CB 3.34Å; I113-S117 PolarHBondContact O-N 2.98Å; I113-S117 PolarHBondContact O-OG 3.01Å
118W80.2Confident93.2Very high146 Ų14651.4 Ų51.455%0.55326%0.257SS*.  trans-81.2149.6172.4-65.226.7000108.6N120 A121W118-N120 PolarHBondContact O-N 3.42Å; W118-A121 WeakPolarHBondContact O-CB 3.19Å; W118-A121 PolarHBondContact O-N 2.82Å
119D79.8Confident93.4Very high160 Ų16048.9 Ų48.986%0.85624%0.241SC*.THydrogen-bonded Turntrans-55.8-22.5-178.5-65.7-23.9000113.3
120N85.6Confident93.6Very high92 Ų9249 Ų4949%0.49224%0.244SC..THydrogen-bonded Turntrans-89.3-1.2-178.1-78.3-27.6000115.6W118 Q122 K179W118-N120 PolarHBondContact O-N 3.42Å; N120-Q122 PolarHBondContact O-N 3.42Å; N120-Q122 PolarHBondContact O-NE2 3.41Å; N120-K179 PolarHBondContact O-NZ 3Å; N120-K179 WeakPolarHBondContact OD1-CE 3.42Å; N120-K179 PolarHBondContact OD1-NZ 2.85Å
121A93.7Very high93.7Very high16 Ų1650.6 Ų50.613%0.13225%0.253CS..  trans-62.3136179.800000112.2F91 W118F91-A121 HydrophobicContact CD2-CB 3.95Å; F91-A121 HydrophobicContact CE2-CB 3.64Å; W118-A121 WeakPolarHBondContact O-CB 3.19Å; W118-A121 PolarHBondContact O-N 2.82Å
122Q96.4Very high93.9Very high38 Ų3849.1 Ų49.118%0.17824%0.242CC..EExtended strand (participates in β ladder)trans-93.8142.8177.6-58.4-52.6-63.200110.1M89 G90 F91 N120 L172 I175 I176 K179M89-Q122 PolarHBondContact O-N 3.49Å; G90-Q122 CarbonylContact C-O 3.58Å; G90-Q122 VanDerWaalsContact CA-O 3.24Å; G90-Q122 WeakPolarHBondContact CA-O 3.45Å; F91-Q122 PolarHBondContact N-O 3.08Å; N120-Q122 PolarHBondContact O-N 3.42Å; N120-Q122 PolarHBondContact O-NE2 3.41Å; Q122-L172 HydrophobicContact CB-CD1 3.8Å; Q122-I175 HydrophobicContact CB-CG2 4.14Å; Q122-I175 HydrophobicContact CG-CG2 3.72Å; Q122-I176 HydrophobicContact CB-CG1 4.1Å; Q122-I176 HydrophobicContact CG-CG1 3.9Å; Q122-K179 HydrophobicContact CG-CD 4.4Å
123V97.5Very high94.2Very high22 Ų2253.3 Ų53.313%0.13327%0.268CS..EExtended strand (participates in β ladder)trans-132.2129.7-177.5-170.90000109.4F91 L93 I113 L152F91-V123 HydrophobicContact CB-CB 4.44Å; F91-V123 HydrophobicContact CB-CG1 4.12Å; F91-V123 HydrophobicContact CB-CG2 4.15Å; F91-V123 HydrophobicContact CD2-CG2 4.31Å; F91-V123 WeakPolarHBondContact O-CA 3.5Å; L93-V123 HydrophobicContact CB-CG1 4.06Å; I113-V123 HydrophobicContact CD1-CB 4.49Å; I113-V123 HydrophobicContact CD1-CG1 3.84Å; I113-V123 HydrophobicContact CD1-CG2 3.77Å; I113-V123 HydrophobicContact CG2-CG2 4.07Å; V123-L152 HydrophobicContact CB-CD2 3.81Å; V123-L152 HydrophobicContact CG1-CD1 4.09Å; V123-L152 HydrophobicContact CG1-CD2 4.29Å
124V98.6Very high94.4Very high0 Ų060.7 Ų60.70%031%0.307CS..EExtended strand (participates in β ladder)trans-112.6128.3170.2176.20000108.1F91 L93 V126 E153 F155 V168 L172 I175F91-V124 PolarHBondContact O-N 2.87Å; L93-V124 PolarHBondContact N-O 3.2Å; V124-V126 HydrophobicContact CG1-CG2 4.15Å; V124-E153 HydrophobicContact CG2-CB 4.21Å; V124-F155 HydrophobicContact CG1-CD2 3.54Å; V124-F155 HydrophobicContact CG1-CE2 3.88Å; V124-V168 HydrophobicContact CG1-CG1 4.22Å; V124-L172 HydrophobicContact CG2-CB 4.14Å; V124-L172 HydrophobicContact CG2-CD1 4.09Å; V124-I175 HydrophobicContact CG2-CD1 4.37Å
125L98.8Very high94.6Very high0 Ų058.8 Ų58.80%030%0.304CS..EExtended strand (participates in β ladder)trans-87130.9173.3-176.563.6000109.9L93 Y95 V106 A147 L152 E153 F154 F155L93-L125 HydrophobicContact CB-CD1 4.42Å; L93-L125 HydrophobicContact CD2-CD1 4.3Å; L93-L125 HydrophobicContact CG-CD1 3.97Å; L93-L125 CarbonylContact O-C 3.54Å; L93-L125 WeakPolarHBondContact O-CA 3.44Å; Y95-L125 HydrophobicContact CD1-CD1 3.95Å; Y95-L125 HydrophobicContact CD1-CG 4.35Å; Y95-L125 HydrophobicContact CE1-CD1 4.26Å; Y95-L125 HydrophobicContact CE1-CD2 4.29Å; Y95-L125 HydrophobicContact CE1-CG 4.15Å; V106-L125 HydrophobicContact CG1-CD1 3.71Å; V106-L125 HydrophobicContact CG1-CD2 4.36Å; V106-L125 HydrophobicContact CG2-CD1 3.96Å; L125-A147 HydrophobicContact CB-CB 4.44Å; L125-A147 HydrophobicContact CD2-CB 3.92Å; L125-L152 HydrophobicContact CB-CB 4.48Å; L125-L152 HydrophobicContact CB-CD1 4.34Å; L125-E153 PolarHBondContact N-O 3.38Å; L125-F154 HydrophobicContact CB-CD2 4.29Å; L125-F154 HydrophobicContact CD2-CD2 4.14Å; L125-F154 HydrophobicContact CG-CD2 4.1Å; L125-F154 WeakPolarHBondContact O-CA 3.39Å; L125-F155 PolarHBondContact O-N 3.13Å
126V98.9Very high94.9Very high0 Ų058 Ų580%029%0.291CS..EExtended strand (participates in β ladder)trans-125.5117.2-179.7-176.40000110.9I92 L93 M94 Y95 V124 N128 F155 A157 V168I92-V126 HydrophobicContact CG2-CB 4.44Å; I92-V126 HydrophobicContact CG2-CG2 3.74Å; L93-V126 PolarHBondContact O-N 2.94Å; M94-V126 WeakPolarHBondContact CA-O 3.48Å; M94-V126 HydrophobicContact CE-CB 4.46Å; M94-V126 HydrophobicContact CE-CG1 4.24Å; M94-V126 HydrophobicContact CG-CB 4.47Å; Y95-V126 WeakPolarHBondContact CD1-O 3.42Å; Y95-V126 PolarHBondContact N-O 3.35Å; V124-V126 HydrophobicContact CG1-CG2 4.15Å; V126-N128 HydrophobicContact CG1-CB 4.46Å; V126-N128 PolarHBondContact O-N 3.28Å; V126-F155 CarbonylContact C-O 3.54Å; V126-F155 VanDerWaalsContact CA-O 3.28Å; V126-F155 WeakPolarHBondContact CA-O 3.21Å; V126-A157 HydrophobicContact CG1-CB 3.72Å; V126-V168 HydrophobicContact CG2-CG1 3.78Å; V126-V168 HydrophobicContact CG2-CG2 3.88Å
127G98.9Very high95.2Very high0 Ų054.6 Ų54.60%029%0.288CS..EExtended strand (participates in β ladder)trans-83.898163.600000109.8Y95 F155 E156 A157Y95-G127 VanDerWaalsContact CE1-CA 3.45Å; G127-F155 PolarHBondContact N-O 3.04Å; G127-E156 CarbonylContact O-C 3.59Å; G127-E156 VanDerWaalsContact O-CA 3.24Å; G127-E156 WeakPolarHBondContact O-CA 3.28Å; G127-A157 PolarHBondContact O-N 2.97Å
128N98.8Very high95.7Very high3 Ų353.8 Ų53.82%0.01628%0.282CS..EExtended strand (participates in β ladder)trans-87.2164.9-176.4-171.139.8000112.3V26 M94 Y95 I97 V126 A157 A159V26-N128 PolarHBondContact O-ND2 2.89Å; M94-N128 HydrophobicContact CE-CB 4.41Å; M94-N128 HydrophobicContact CG-CB 3.65Å; M94-N128 HydrophobicContact SD-CB 3.57Å; M94-N128 VanDerWaalsContact SD-CB 3.57Å; Y95-N128 PolarHBondContact O-N 3.3Å; I97-N128 WeakPolarHBondContact CG1-O 3.35Å; I97-N128 PolarHBondContact N-O 3.28Å; V126-N128 HydrophobicContact CG1-CB 4.46Å; V126-N128 PolarHBondContact O-N 3.28Å; N128-A157 CarbonylContact C-O 3.41Å; N128-A157 VanDerWaalsContact CA-O 3.3Å; N128-A157 WeakPolarHBondContact CA-O 3.33Å; N128-A157 PolarHBondContact OD1-O 2.86Å; N128-A159 PolarHBondContact OD1-N 2.92Å
129K98.3Very high96.6Very high50 Ų5049 Ų4922%0.21727%0.271CS..  trans69.133.7-177.1-45.1-169.5-165.2167.30113.6S25 D96 I97 D131 L132 A157S25-K129 WeakPolarHBondContact O-CE 3.4Å; S25-K129 PolarHBondContact O-NZ 3.18Å; D96-K129 WeakPolarHBondContact OD2-CD 3.23Å; D96-K129 WeakPolarHBondContact OD2-CE 3.41Å; D96-K129 IonicContact OD2-NZ 3.86Å; D96-K129 PolarHBondContact OD2-NZ 3.49Å; I97-K129 WeakPolarHBondContact CD1-O 3.41Å; I97-K129 HydrophobicContact CG1-CB 4.46Å; I97-K129 WeakPolarHBondContact CG1-O 3.24Å; K129-D131 WeakPolarHBondContact CA-OD1 3.42Å; K129-D131 PolarHBondContact O-N 3.09Å; K129-L132 HydrophobicContact CB-CD1 3.99Å; K129-L132 HydrophobicContact CB-CG 4.28Å; K129-L132 HydrophobicContact CD-CD1 4.03Å; K129-L132 PolarHBondContact O-N 2.83Å; K129-A157 PolarHBondContact N-O 2.83Å
130C98.5Very high97.5Very high21 Ų2143.8 Ų43.814%0.14224%0.244CC..THydrogen-bonded Turntrans-63-10.1179.672.80000114.4L132 E156 A157C130-L132 VanDerWaalsContact C-N 3.3Å; C130-E156 HydrophobicContact CB-CB 4.02Å; C130-A157 PolarHBondContact N-O 2.85Å; C130-A157 PolarHBondContact SG-O 3.33Å; C130-A157 VanDerWaalsContact SG-O 3.34Å
131D98.4Very high98.1Very high43 Ų4344.5 Ų44.523%0.2325%0.248CC..THydrogen-bonded Turntrans-70.8-20.717059.2-74.6000113.8K129 V133 S158 K160 E161K129-D131 WeakPolarHBondContact CA-OD1 3.42Å; K129-D131 PolarHBondContact O-N 3.09Å; D131-V133 VanDerWaalsContact C-N 3.28Å; D131-V133 PolarHBondContact O-N 2.68Å; D131-V133 VanDerWaalsContact O-N 3.09Å; D131-S158 VanDerWaalsContact CG-OG 3.26Å; D131-S158 VanDerWaalsContact OD1-CB 3.25Å; D131-S158 WeakPolarHBondContact OD1-CB 3.45Å; D131-S158 PolarHBondContact OD1-OG 2.56Å; D131-K160 VanDerWaalsContact OD2-CD 3.31Å; D131-K160 WeakPolarHBondContact OD2-CD 3.27Å; D131-K160 IonicContact OD2-NZ 3.83Å; D131-E161 HydrophobicContact CB-CB 4.44Å; D131-E161 HydrophobicContact CB-CG 3.5Å; D131-E161 VanDerWaalsContact CB-CG 3.5Å
132L97.8Very high98.3Very high53 Ų5348.1 Ų48.128%0.27726%0.258SS..  trans-87.563.6178.2-58.1-179.1000110.9T98 K129 C130 D134 D135 R136T98-L132 HydrophobicContact CG2-CB 3.65Å; T98-L132 HydrophobicContact CG2-CD1 3.82Å; T98-L132 HydrophobicContact CG2-CG 4.39Å; K129-L132 HydrophobicContact CB-CD1 3.99Å; K129-L132 HydrophobicContact CB-CG 4.28Å; K129-L132 HydrophobicContact CD-CD1 4.03Å; K129-L132 PolarHBondContact O-N 2.83Å; C130-L132 VanDerWaalsContact C-N 3.3Å; L132-D134 PolarHBondContact O-N 2.87Å; L132-D135 HydrophobicContact CB-CB 4.34Å; L132-D135 PolarHBondContact O-N 3.34Å; L132-R136 PolarHBondContact O-N 3.18Å
133V97.3Very high98.4Very high96 Ų9646.3 Ų46.358%0.58225%0.25SC*.  trans-62.5-42.3-174.3-1790000112D131 D135 R136D131-V133 VanDerWaalsContact C-N 3.28Å; D131-V133 PolarHBondContact O-N 2.68Å; D131-V133 VanDerWaalsContact O-N 3.09Å; V133-D135 VanDerWaalsContact C-N 3.28Å; V133-D135 PolarHBondContact O-N 2.89Å; V133-R136 VanDerWaalsContact O-CB 3.28Å; V133-R136 WeakPolarHBondContact O-CB 3.23Å; V133-R136 PolarHBondContact O-N 3.47Å
134D98.1Very high98.5Very high163 Ų16351.8 Ų51.887%0.87227%0.268SS*.THydrogen-bonded Turntrans-70.6-25.4-176.6-61.5-36000112.8L132L132-D134 PolarHBondContact O-N 2.87Å
135D98.2Very high98.5Very high106 Ų10657 Ų5757%0.56729%0.293SS*.THydrogen-bonded Turntrans-96.56.6179.8-60.1-51.8000112.8T98 L132 V133 A137T98-D135 WeakPolarHBondContact CA-O 3.25Å; T98-D135 WeakPolarHBondContact CB-O 3.32Å; T98-D135 HydrophobicContact CG2-CB 3.73Å; T98-D135 WeakPolarHBondContact CG2-O 3.24Å; L132-D135 HydrophobicContact CB-CB 4.34Å; L132-D135 PolarHBondContact O-N 3.34Å; V133-D135 VanDerWaalsContact C-N 3.28Å; V133-D135 PolarHBondContact O-N 2.89Å; D135-A137 PolarHBondContact O-N 2.95Å
136R98.6Very high98.5Very high72 Ų7257.5 Ų57.527%0.27230%0.295SS..  trans-62.8120.5-174.6178.5178.7-72.1-90.39.2111.7I97 L132 V133 V138 E156I97-R136 HydrophobicContact CD1-CB 4.16Å; I97-R136 HydrophobicContact CD1-CG 4.15Å; I97-R136 VanDerWaalsContact CD1-CZ 3.46Å; L132-R136 PolarHBondContact O-N 3.18Å; V133-R136 VanDerWaalsContact O-CB 3.28Å; V133-R136 WeakPolarHBondContact O-CB 3.23Å; V133-R136 PolarHBondContact O-N 3.47Å; R136-V138 WeakPolarHBondContact CD-O 3.34Å; R136-V138 WeakPolarHBondContact CG-O 3.37Å; R136-V138 PolarHBondContact NH1-O 3.3Å; R136-E156 IonicContact CZ-OE1 2.69Å; R136-E156 IonicContact CZ-OE2 3.41Å; R136-E156 IonicContact NH1-OE1 3.78Å; R136-E156 PolarHBondContact NH1-OE1 3.23Å; R136-E156 IonicContact NH1-OE2 3.57Å; R136-E156 PolarHBondContact NH1-OE2 3.39Å; R136-E156 IonicContact NH2-OE1 2.76Å; R136-E156 IonicContact NH2-OE2 3.58Å; R136-E156 PolarHBondContact NH2-OE2 3.29Å
137A98.5Very high98.4Very high48 Ų4857.5 Ų57.540%0.39730%0.295SS..  trans-99.9-31172.400000112.5I97 D135I97-A137 PolarHBondContact O-N 3.45Å; D135-A137 PolarHBondContact O-N 2.95Å
138V98.6Very high98.4Very high0 Ų064.9 Ų64.90%033%0.33CS..SBendtrans-111120.2-178-174.20000109.6Y95 I97 E100 F103 R136 R142Y95-V138 HydrophobicContact CE2-CB 4.08Å; Y95-V138 HydrophobicContact CE2-CG1 3.86Å; Y95-V138 HydrophobicContact CE2-CG2 4.4Å; I97-V138 PolarHBondContact O-N 2.93Å; E100-V138 WeakPolarHBondContact OE2-CG2 3.49Å; F103-V138 HydrophobicContact CB-CG1 4.45Å; F103-V138 HydrophobicContact CB-CG2 3.73Å; F103-V138 HydrophobicContact CD1-CG1 4.28Å; F103-V138 HydrophobicContact CD1-CG2 4.4Å; F103-V138 HydrophobicContact CD2-CG1 3.71Å; F103-V138 HydrophobicContact CE1-CG1 4.5Å; F103-V138 HydrophobicContact CE2-CG1 3.95Å; F103-V138 HydrophobicContact CG-CG1 3.88Å; F103-V138 HydrophobicContact CG-CG2 3.98Å; F103-V138 HydrophobicContact CZ-CG1 4.33Å; R136-V138 WeakPolarHBondContact CD-O 3.34Å; R136-V138 WeakPolarHBondContact CG-O 3.37Å; R136-V138 PolarHBondContact NH1-O 3.3Å; V138-R142 HydrophobicContact CG1-CB 4.12Å
139S98.5Very high98.4Very high47 Ų4770.7 Ų70.733%0.32936%0.357SS..  trans-73.7154.3176.170.70000112D141 R142 G143S139-D141 PolarHBondContact O-N 3.38Å; S139-R142 PolarHBondContact O-N 3.02Å; S139-R142 VanDerWaalsContact O-N 3.12Å; S139-R142 WeakPolarHBondContact OG-CG 3.3Å; S139-R142 PolarHBondContact OG-N 3.24Å; S139-G143 PolarHBondContact O-N 3.44Å; S139-G143 VanDerWaalsContact O-N 3.14Å
140V98.6Very high98.3Very high49 Ų4970.2 Ų70.230%0.29736%0.356SS..Hα-helixtrans-54.1-40.7175.5-170.40000111.1R142 G143 R144 F154 E156V140-R142 PolarHBondContact O-N 3.35Å; V140-G143 PolarHBondContact O-N 3.22Å; V140-R144 WeakPolarHBondContact O-CB 3.47Å; V140-R144 PolarHBondContact O-N 3.49Å; V140-F154 HydrophobicContact CG1-CE1 4.06Å; V140-E156 HydrophobicContact CG1-CG 4.48Å
141D98.6Very high98.2Very high107 Ų10772.5 Ų72.557%0.57238%0.383SS*.Hα-helixtrans-66.8-36.1-178.9-66-44.6000112.6S139 R144 H145S139-D141 PolarHBondContact O-N 3.38Å; D141-R144 IonicContact OD1-NH1 3.73Å; D141-R144 PolarHBondContact OD1-NH1 3.33Å; D141-H145 WeakPolarHBondContact O-CB 3.45Å; D141-H145 PolarHBondContact O-N 3.42Å
142R98.6Very high98.2Very high92 Ų9272 Ų7235%0.34738%0.38SS..Hα-helixtrans-65.7-43.8173.6-71177.669.8-148.7-4.7111.2E100 F103 V138 S139 V140 H145 L146E100-R142 IonicContact OE1-CZ 2.71Å; E100-R142 IonicContact OE1-NH1 3.69Å; E100-R142 PolarHBondContact OE1-NH1 3.4Å; E100-R142 VanDerWaalsContact OE1-NH1 3.17Å; E100-R142 IonicContact OE1-NH2 3.71Å; E100-R142 PolarHBondContact OE1-NH2 2.99Å; E100-R142 IonicContact OE2-CZ 2.76Å; E100-R142 IonicContact OE2-NH1 2.73Å; E100-R142 PolarHBondContact OE2-NH1 3.24Å; E100-R142 IonicContact OE2-NH2 3.51Å; F103-R142 HydrophobicContact CZ-CB 4.15Å; V138-R142 HydrophobicContact CG1-CB 4.12Å; S139-R142 PolarHBondContact O-N 3.02Å; S139-R142 VanDerWaalsContact O-N 3.12Å; S139-R142 WeakPolarHBondContact OG-CG 3.3Å; S139-R142 PolarHBondContact OG-N 3.24Å; V140-R142 PolarHBondContact O-N 3.35Å; R142-H145 PolarHBondContact O-N 2.96Å; R142-L146 WeakPolarHBondContact O-CB 3.47Å; R142-L146 PolarHBondContact O-N 3.02Å
143G98.6Very high98.2Very high0 Ų072.9 Ų72.90%038%0.383CS..Hα-helixtrans-56.6-51.8173.500000112.5Y95 S139 V140 L146 A147Y95-G143 WeakPolarHBondContact OH-CA 3.41Å; S139-G143 PolarHBondContact O-N 3.44Å; S139-G143 VanDerWaalsContact O-N 3.14Å; V140-G143 PolarHBondContact O-N 3.22Å; G143-L146 PolarHBondContact O-N 2.91Å; G143-A147 WeakPolarHBondContact O-CB 3.4Å; G143-A147 PolarHBondContact O-N 2.82Å
144R98.6Very high98.2Very high137 Ų13769.9 Ų69.952%0.51736%0.362SS..Hα-helixtrans-63.4-42.1178.5-171.5-177.3-65.1139.6-1112.3V140 D141 A147 H148 F154V140-R144 WeakPolarHBondContact O-CB 3.47Å; V140-R144 PolarHBondContact O-N 3.49Å; D141-R144 IonicContact OD1-NH1 3.73Å; D141-R144 PolarHBondContact OD1-NH1 3.33Å; R144-A147 PolarHBondContact O-N 3.19Å; R144-H148 WeakPolarHBondContact O-CB 3.24Å; R144-H148 PolarHBondContact O-N 2.97Å; R144-F154 HydrophobicContact CB-CD1 3.86Å; R144-F154 HydrophobicContact CB-CE1 4.13Å; R144-F154 HydrophobicContact CG-CD1 4.41Å
145H98.7Very high98.3Very high110 Ų11064 Ų6451%0.50933%0.329SS..Hα-helixtrans-62.1-47.2178.3-17875.1000111.4D141 R142 A147 H148 Q149D141-H145 WeakPolarHBondContact O-CB 3.45Å; D141-H145 PolarHBondContact O-N 3.42Å; R142-H145 PolarHBondContact O-N 2.96Å; H145-A147 PolarHBondContact O-N 2.9Å; H145-H148 PolarHBondContact O-N 3.35Å; H145-Q149 PolarHBondContact CD2-OE1 3.32Å; H145-Q149 VanDerWaalsContact NE2-CD 3.28Å; H145-Q149 PolarHBondContact NE2-NE2 2.97Å; H145-Q149 WeakPolarHBondContact O-CG 3.33Å; H145-Q149 PolarHBondContact O-N 2.61Å
146L98.5Very high98.3Very high10 Ų1060.1 Ų60.15%0.05231%0.308CS..Hα-helixtrans-62.1-44.1177.1-179.361.8000111.5F103 V106 Q107 R142 G143 H148 Q149 L150F103-L146 HydrophobicContact CD2-CD2 4.07Å; F103-L146 HydrophobicContact CE1-CD2 4.31Å; F103-L146 HydrophobicContact CE2-CB 4.01Å; F103-L146 HydrophobicContact CE2-CD2 3.43Å; F103-L146 VanDerWaalsContact CE2-CD2 3.43Å; F103-L146 HydrophobicContact CE2-CG 4.36Å; F103-L146 HydrophobicContact CZ-CB 3.86Å; F103-L146 HydrophobicContact CZ-CD2 3.58Å; F103-L146 HydrophobicContact CZ-CG 4.32Å; V106-L146 HydrophobicContact CB-CD2 3.89Å; V106-L146 HydrophobicContact CG1-CD2 3.74Å; V106-L146 HydrophobicContact CG1-CG 4.46Å; V106-L146 HydrophobicContact CG2-CD2 4.44Å; Q107-L146 HydrophobicContact CG-CD1 4.16Å; R142-L146 WeakPolarHBondContact O-CB 3.47Å; R142-L146 PolarHBondContact O-N 3.02Å; G143-L146 PolarHBondContact O-N 2.91Å; L146-H148 VanDerWaalsContact C-N 3.34Å; L146-H148 PolarHBondContact O-N 2.64Å; L146-Q149 PolarHBondContact O-N 3.17Å; L146-L150 HydrophobicContact CD1-CD1 3.74Å; L146-L150 HydrophobicContact CD1-CG 4.13Å; L146-L150 HydrophobicContact CD2-CD1 4.45Å; L146-L150 HydrophobicContact CG-CD1 3.76Å; L146-L150 HydrophobicContact CG-CG 4.48Å; L146-L150 WeakPolarHBondContact O-CB 3.27Å; L146-L150 VanDerWaalsContact O-CG 3.27Å; L146-L150 WeakPolarHBondContact O-CG 3.28Å; L146-L150 PolarHBondContact O-N 3.14Å
147A98.6Very high98.3Very high1 Ų156.7 Ų56.71%0.00830%0.295CS..Hα-helixtrans-59.3-45.4176.200000112.1L125 G143 R144 H145 Q149 L150 G151 L152 F154L125-A147 HydrophobicContact CB-CB 4.44Å; L125-A147 HydrophobicContact CD2-CB 3.92Å; G143-A147 WeakPolarHBondContact O-CB 3.4Å; G143-A147 PolarHBondContact O-N 2.82Å; R144-A147 PolarHBondContact O-N 3.19Å; H145-A147 PolarHBondContact O-N 2.9Å; A147-Q149 PolarHBondContact O-N 2.88Å; A147-L150 CarbonylContact O-C 3.55Å; A147-L150 PolarHBondContact O-N 3.28Å; A147-L150 VanDerWaalsContact O-N 3.15Å; A147-G151 PolarHBondContact O-N 3.25Å; A147-L152 HydrophobicContact CB-CB 4.39Å; A147-L152 PolarHBondContact O-N 3.36Å; A147-F154 HydrophobicContact CB-CB 3.56Å; A147-F154 HydrophobicContact CB-CD2 4.38Å; A147-F154 HydrophobicContact CB-CG 4.17Å
148H98.3Very high98.3Very high155 Ų15554.4 Ų54.472%0.71828%0.276SS*.Hα-helixtrans-60.5-44.9176.2179.2-86.2000111.9R144 H145 L146 L150 G151R144-H148 WeakPolarHBondContact O-CB 3.24Å; R144-H148 PolarHBondContact O-N 2.97Å; H145-H148 PolarHBondContact O-N 3.35Å; L146-H148 VanDerWaalsContact C-N 3.34Å; L146-H148 PolarHBondContact O-N 2.64Å; H148-L150 PolarHBondContact O-N 3.12Å; H148-G151 PolarHBondContact O-N 3.49Å
149Q98Very high98.3Very high125 Ų12554.6 Ų54.658%0.58428%0.277SS*.Hα-helixtrans-60.1-34.8175.6-73.7178.8-43.400112.8H145 L146 A147H145-Q149 PolarHBondContact CD2-OE1 3.32Å; H145-Q149 VanDerWaalsContact NE2-CD 3.28Å; H145-Q149 PolarHBondContact NE2-NE2 2.97Å; H145-Q149 WeakPolarHBondContact O-CG 3.33Å; H145-Q149 PolarHBondContact O-N 2.61Å; L146-Q149 PolarHBondContact O-N 3.17Å; A147-Q149 PolarHBondContact O-N 2.88Å
150L96.8Very high98.2Very high40 Ų4056.9 Ų56.921%0.20928%0.281CS..Hα-helixtrans-88.5-5.5-179.5-64.1171000113.4V106 V110 L146 A147 H148 L152V106-L150 HydrophobicContact CG1-CD1 3.94Å; V110-L150 HydrophobicContact CG1-CD2 4.41Å; V110-L150 HydrophobicContact CG2-CD1 4.11Å; L146-L150 HydrophobicContact CD1-CD1 3.74Å; L146-L150 HydrophobicContact CD1-CG 4.13Å; L146-L150 HydrophobicContact CD2-CD1 4.45Å; L146-L150 HydrophobicContact CG-CD1 3.76Å; L146-L150 HydrophobicContact CG-CG 4.48Å; L146-L150 WeakPolarHBondContact O-CB 3.27Å; L146-L150 VanDerWaalsContact O-CG 3.27Å; L146-L150 WeakPolarHBondContact O-CG 3.28Å; L146-L150 PolarHBondContact O-N 3.14Å; A147-L150 CarbonylContact O-C 3.55Å; A147-L150 PolarHBondContact O-N 3.28Å; A147-L150 VanDerWaalsContact O-N 3.15Å; H148-L150 PolarHBondContact O-N 3.12Å; L150-L152 HydrophobicContact CB-CD1 3.91Å; L150-L152 HydrophobicContact CB-CG 3.73Å; L150-L152 HydrophobicContact CD1-CD1 4.24Å
151G96.5Very high98.2Very high69 Ų6959.8 Ų59.871%0.71129%0.291SS*.THydrogen-bonded Turntrans69.134.6-17600000113.6A147 H148A147-G151 PolarHBondContact O-N 3.25Å; H148-G151 PolarHBondContact O-N 3.49Å
152L97.6Very high98.2Very high31 Ų3158.5 Ų58.516%0.16229%0.285CS..  trans-111.9148.1-175.4-52.2-175.2000111.7V110 V123 L125 A147 L150V110-L152 HydrophobicContact CG2-CD1 4.05Å; V123-L152 HydrophobicContact CB-CD2 3.81Å; V123-L152 HydrophobicContact CG1-CD1 4.09Å; V123-L152 HydrophobicContact CG1-CD2 4.29Å; L125-L152 HydrophobicContact CB-CB 4.48Å; L125-L152 HydrophobicContact CB-CD1 4.34Å; A147-L152 HydrophobicContact CB-CB 4.39Å; A147-L152 PolarHBondContact O-N 3.36Å; L150-L152 HydrophobicContact CB-CD1 3.91Å; L150-L152 HydrophobicContact CB-CG 3.73Å; L150-L152 HydrophobicContact CD1-CD1 4.24Å
153E97.6Very high98.2Very high73 Ų7356.9 Ų56.934%0.34129%0.285SS..EExtended strand (participates in β ladder)trans-69.8144.2165-75.2-88.2-152.400110.1V124 L125 F155 R171 I175V124-E153 HydrophobicContact CG2-CB 4.21Å; L125-E153 PolarHBondContact N-O 3.38Å; E153-F155 HydrophobicContact CB-CE2 4.47Å; E153-R171 IonicContact OE1-CZ 3.46Å; E153-R171 IonicContact OE1-NE 3.67Å; E153-R171 PolarHBondContact OE1-NE 3.4Å; E153-R171 VanDerWaalsContact OE1-NE 3.12Å; E153-R171 IonicContact OE1-NH2 3.07Å; E153-R171 PolarHBondContact OE1-NH2 3.33Å; E153-I175 HydrophobicContact CG-CD1 3.94Å
154F98.7Very high98.2Very high32 Ų3259.6 Ų59.614%0.1430%0.299CS..EExtended strand (participates in β ladder)trans-128134.1-174177.2-115.2000112.9Y95 L125 V140 R144 A147 E156Y95-F154 HydrophobicContact CE1-CE2 4.07Å; Y95-F154 WeakPolarHBondContact OH-CE2 3.47Å; L125-F154 HydrophobicContact CB-CD2 4.29Å; L125-F154 HydrophobicContact CD2-CD2 4.14Å; L125-F154 HydrophobicContact CG-CD2 4.1Å; L125-F154 WeakPolarHBondContact O-CA 3.39Å; V140-F154 HydrophobicContact CG1-CE1 4.06Å; R144-F154 HydrophobicContact CB-CD1 3.86Å; R144-F154 HydrophobicContact CB-CE1 4.13Å; R144-F154 HydrophobicContact CG-CD1 4.41Å; A147-F154 HydrophobicContact CB-CB 3.56Å; A147-F154 HydrophobicContact CB-CD2 4.38Å; A147-F154 HydrophobicContact CB-CG 4.17Å; F154-E156 HydrophobicContact CE1-CG 4.11Å; F154-E156 HydrophobicContact CZ-CG 3.63Å
155F98.8Very high98.2Very high39 Ų3953.1 Ų53.117%0.17128%0.275CS..EExtended strand (participates in β ladder)trans-132.2143.8170.2-64.5-97000110V124 L125 V126 G127 E153 N164 V168 R171V124-F155 HydrophobicContact CG1-CD2 3.54Å; V124-F155 HydrophobicContact CG1-CE2 3.88Å; L125-F155 PolarHBondContact O-N 3.13Å; V126-F155 CarbonylContact C-O 3.54Å; V126-F155 VanDerWaalsContact CA-O 3.28Å; V126-F155 WeakPolarHBondContact CA-O 3.21Å; G127-F155 PolarHBondContact N-O 3.04Å; E153-F155 HydrophobicContact CB-CE2 4.47Å; F155-N164 HydrophobicContact CD1-CB 4.45Å; F155-V168 HydrophobicContact CB-CG2 3.67Å; F155-V168 HydrophobicContact CD1-CG2 4.21Å; F155-V168 HydrophobicContact CD2-CG2 3.92Å; F155-V168 HydrophobicContact CG-CG2 3.66Å; F155-R171 HydrophobicContact CE2-CB 4.3Å; F155-R171 HydrophobicContact CE2-CG 4.11Å; F155-R171 HydrophobicContact CZ-CB 3.98Å; F155-R171 HydrophobicContact CZ-CG 3.91Å
156E98.7Very high98.2Very high26 Ų2653 Ų5312%0.12127%0.273CS..EExtended strand (participates in β ladder)trans-92.4144.9151.4-71.7-157.7163.400109.7G127 C130 R136 V140 F154 N164G127-E156 CarbonylContact O-C 3.59Å; G127-E156 VanDerWaalsContact O-CA 3.24Å; G127-E156 WeakPolarHBondContact O-CA 3.28Å; C130-E156 HydrophobicContact CB-CB 4.02Å; R136-E156 IonicContact CZ-OE1 2.69Å; R136-E156 IonicContact CZ-OE2 3.41Å; R136-E156 IonicContact NH1-OE1 3.78Å; R136-E156 PolarHBondContact NH1-OE1 3.23Å; R136-E156 IonicContact NH1-OE2 3.57Å; R136-E156 PolarHBondContact NH1-OE2 3.39Å; R136-E156 IonicContact NH2-OE1 2.76Å; R136-E156 IonicContact NH2-OE2 3.58Å; R136-E156 PolarHBondContact NH2-OE2 3.29Å; V140-E156 HydrophobicContact CG1-CG 4.48Å; F154-E156 HydrophobicContact CE1-CG 4.11Å; F154-E156 HydrophobicContact CZ-CG 3.63Å; E156-N164 WeakPolarHBondContact O-CB 3.27Å; E156-N164 PolarHBondContact O-ND2 3.24Å
157A98.8Very high98.1Very high0 Ų056.6 Ų56.60%029%0.292CS..EExtended strand (participates in β ladder)trans-146.8162.5-175.800000112.1F31 V126 G127 N128 K129 C130 V163 N164F31-A157 HydrophobicContact CE2-CB 3.63Å; F31-A157 HydrophobicContact CZ-CB 4.2Å; V126-A157 HydrophobicContact CG1-CB 3.72Å; G127-A157 PolarHBondContact O-N 2.97Å; N128-A157 CarbonylContact C-O 3.41Å; N128-A157 VanDerWaalsContact CA-O 3.3Å; N128-A157 WeakPolarHBondContact CA-O 3.33Å; N128-A157 PolarHBondContact OD1-O 2.86Å; K129-A157 PolarHBondContact N-O 2.83Å; C130-A157 PolarHBondContact N-O 2.85Å; C130-A157 PolarHBondContact SG-O 3.33Å; C130-A157 VanDerWaalsContact SG-O 3.34Å; A157-V163 VanDerWaalsContact CA-O 3.28Å; A157-V163 WeakPolarHBondContact CA-O 3.36Å; A157-V163 VanDerWaalsContact CB-O 3.27Å; A157-V163 WeakPolarHBondContact CB-O 3.32Å; A157-N164 HydrophobicContact CB-CB 4.08Å
158S98.6Very high98.1Very high0 Ų056.5 Ų56.50%029%0.292CS..BIsolated β-bridgetrans-136.6115.5170.6175.20000109.3D131 K160 E161 N162 V163 V165D131-S158 VanDerWaalsContact CG-OG 3.26Å; D131-S158 VanDerWaalsContact OD1-CB 3.25Å; D131-S158 WeakPolarHBondContact OD1-CB 3.45Å; D131-S158 PolarHBondContact OD1-OG 2.56Å; S158-K160 PolarHBondContact O-N 3.21Å; S158-K160 PolarHBondContact OG-N 2.92Å; S158-E161 PolarHBondContact OG-N 3.47Å; S158-N162 CarbonylContact O-C 3.58Å; S158-N162 VanDerWaalsContact O-CA 3.24Å; S158-N162 WeakPolarHBondContact O-CA 3.38Å; S158-N162 PolarHBondContact O-N 3.48Å; S158-V163 PolarHBondContact N-O 2.71Å; S158-V163 PolarHBondContact O-N 3.18Å; S158-V165 WeakPolarHBondContact O-CG2 3.48Å
159A98.2Very high98.1Very high3 Ų349.1 Ų49.13%0.02526%0.258CS..THydrogen-bonded Turntrans-63.3-32.1169.700000112.2F31 R34 F40 N128F31-A159 HydrophobicContact CB-CB 4.36Å; F31-A159 HydrophobicContact CD2-CB 4.18Å; R34-A159 WeakPolarHBondContact CG-O 3.36Å; R34-A159 PolarHBondContact NE-O 3.33Å; F40-A159 HydrophobicContact CD2-CB 4.22Å; F40-A159 HydrophobicContact CE2-CB 4.32Å; N128-A159 PolarHBondContact OD1-N 2.92Å
160K97.9Very high98.1Very high96 Ų9644 Ų4442%0.41723%0.234SC..THydrogen-bonded Turntrans-68.9-57-178.9-177.8-172.3168.8-161.20110.7R34 F40 D131 S158 N162R34-K160 PolarHBondContact NH2-O 3.36Å; F40-K160 HydrophobicContact CD1-CB 4.35Å; F40-K160 HydrophobicContact CD1-CG 4.11Å; F40-K160 HydrophobicContact CD2-CB 4.21Å; F40-K160 HydrophobicContact CE1-CB 3.96Å; F40-K160 HydrophobicContact CE1-CD 4.39Å; F40-K160 HydrophobicContact CE1-CG 3.71Å; F40-K160 HydrophobicContact CE2-CB 3.8Å; F40-K160 HydrophobicContact CE2-CG 4.47Å; F40-K160 HydrophobicContact CG-CB 4.47Å; F40-K160 HydrophobicContact CZ-CB 3.66Å; F40-K160 HydrophobicContact CZ-CD 4.48Å; F40-K160 HydrophobicContact CZ-CG 3.92Å; D131-K160 VanDerWaalsContact OD2-CD 3.31Å; D131-K160 WeakPolarHBondContact OD2-CD 3.27Å; D131-K160 IonicContact OD2-NZ 3.83Å; S158-K160 PolarHBondContact O-N 3.21Å; S158-K160 PolarHBondContact OG-N 2.92Å; K160-N162 VanDerWaalsContact C-N 3.29Å; K160-N162 PolarHBondContact O-N 3.23Å
161E97.9Very high98.2Very high110 Ų11046.2 Ų46.251%0.51424%0.24SC..THydrogen-bonded Turntrans-87.75.5-176.8-56.5-55.7144.400113.1D131 S158 V163D131-E161 HydrophobicContact CB-CB 4.44Å; D131-E161 HydrophobicContact CB-CG 3.5Å; D131-E161 VanDerWaalsContact CB-CG 3.5Å; S158-E161 PolarHBondContact OG-N 3.47Å; E161-V163 VanDerWaalsContact C-N 3.25Å; E161-V163 HydrophobicContact CB-CG2 4.04Å; E161-V163 PolarHBondContact O-N 2.79Å
162N98.1Very high98.2Very high80 Ų8043 Ų4343%0.42821%0.206SC..THydrogen-bonded Turntrans56.134.6-178.8-163.725.1000114.2R34 S158 K160R34-N162 WeakPolarHBondContact CD-OD1 3.25Å; R34-N162 HydrophobicContact CG-CB 4.38Å; R34-N162 WeakPolarHBondContact CG-OD1 3.33Å; S158-N162 CarbonylContact O-C 3.58Å; S158-N162 VanDerWaalsContact O-CA 3.24Å; S158-N162 WeakPolarHBondContact O-CA 3.38Å; S158-N162 PolarHBondContact O-N 3.48Å; K160-N162 VanDerWaalsContact C-N 3.29Å; K160-N162 PolarHBondContact O-N 3.23Å
163V98.7Very high98.2Very high58 Ų5841.5 Ų41.535%0.35220%0.198SC..BIsolated β-bridgetrans-84.4125.6178.4177.40000109.5A157 S158 E161 V165A157-V163 VanDerWaalsContact CA-O 3.28Å; A157-V163 WeakPolarHBondContact CA-O 3.36Å; A157-V163 VanDerWaalsContact CB-O 3.27Å; A157-V163 WeakPolarHBondContact CB-O 3.32Å; S158-V163 PolarHBondContact N-O 2.71Å; S158-V163 PolarHBondContact O-N 3.18Å; E161-V163 VanDerWaalsContact C-N 3.25Å; E161-V163 HydrophobicContact CB-CG2 4.04Å; E161-V163 PolarHBondContact O-N 2.79Å; V163-V165 PolarHBondContact O-N 3Å
164N98.5Very high98.1Very high57 Ų5739.6 Ų39.631%0.30519%0.191SC..SBendtrans56.68.4177-70.8-33.1000116.6F155 E156 A157 N167 V168F155-N164 HydrophobicContact CD1-CB 4.45Å; E156-N164 WeakPolarHBondContact O-CB 3.27Å; E156-N164 PolarHBondContact O-ND2 3.24Å; A157-N164 HydrophobicContact CB-CB 4.08Å; N164-N167 HydrophobicContact CB-CB 4.44Å; N164-N167 PolarHBondContact O-N 2.87Å; N164-V168 WeakPolarHBondContact O-CG2 3.25Å; N164-V168 PolarHBondContact O-N 2.99Å
165V98.7Very high98Very high1 Ų139.3 Ų39.31%0.00619%0.19CC..Hα-helixtrans-60.4-57.2-177.5179.80000110.5F31 R34 S158 V163 N167 V168 F169F31-V165 HydrophobicContact CD1-CG1 4.38Å; F31-V165 HydrophobicContact CD2-CG1 4.43Å; F31-V165 HydrophobicContact CD2-CG2 4.08Å; F31-V165 HydrophobicContact CE1-CG1 4.17Å; F31-V165 HydrophobicContact CE2-CB 4.17Å; F31-V165 HydrophobicContact CE2-CG1 4.22Å; F31-V165 HydrophobicContact CE2-CG2 3.7Å; F31-V165 HydrophobicContact CZ-CB 4.2Å; F31-V165 HydrophobicContact CZ-CG1 4.09Å; F31-V165 HydrophobicContact CZ-CG2 4.24Å; R34-V165 HydrophobicContact CB-CG1 4.27Å; R34-V165 HydrophobicContact CG-CB 4.19Å; R34-V165 HydrophobicContact CG-CG1 3.93Å; R34-V165 HydrophobicContact CG-CG2 3.86Å; S158-V165 WeakPolarHBondContact O-CG2 3.48Å; V163-V165 PolarHBondContact O-N 3Å; V165-N167 VanDerWaalsContact C-N 3.32Å; V165-N167 PolarHBondContact O-N 3.1Å; V165-V168 PolarHBondContact O-N 3.19Å; V165-F169 WeakPolarHBondContact O-CD2 3.16Å
166K97.8Very high97.8Very high106 Ų10637.7 Ų37.746%0.46118%0.183SC..Hα-helixtrans-60.8-43.6177.1-170.2-174.7-173.7-53.40111.4Y35 V168 F169 D170Y35-K166 HydrophobicContact CE2-CG 4.33Å; K166-V168 VanDerWaalsContact C-N 3.32Å; K166-V168 PolarHBondContact O-N 3.25Å; K166-F169 PolarHBondContact O-N 3.49Å; K166-D170 IonicContact NZ-OD1 2.64Å; K166-D170 PolarHBondContact NZ-OD1 2.77Å; K166-D170 IonicContact NZ-OD2 3.83Å; K166-D170 PolarHBondContact NZ-OD2 3.31Å; K166-D170 WeakPolarHBondContact O-CB 3.38Å; K166-D170 PolarHBondContact O-N 3.48Å
167N98.3Very high97.5Very high86 Ų8637.3 Ų37.346%0.4618%0.183SC..Hα-helixtrans-58.8-39.8-176-60.867.6000112.8N164 V165 R171N164-N167 HydrophobicContact CB-CB 4.44Å; N164-N167 PolarHBondContact O-N 2.87Å; V165-N167 VanDerWaalsContact C-N 3.32Å; V165-N167 PolarHBondContact O-N 3.1Å; N167-R171 VanDerWaalsContact O-CB 3.24Å; N167-R171 WeakPolarHBondContact O-CB 3.44Å; N167-R171 PolarHBondContact O-N 2.83Å
168V98.8Very high97.1Very high0 Ų040.7 Ų40.70%020%0.202CC..Hα-helixtrans-61.9-50176.51660000111.3F31 I92 V124 V126 F155 N164 V165 K166 R171 L172F31-V168 HydrophobicContact CE1-CB 4.35Å; F31-V168 HydrophobicContact CE1-CG1 4.23Å; F31-V168 HydrophobicContact CZ-CB 4.09Å; F31-V168 HydrophobicContact CZ-CG1 4.32Å; F31-V168 HydrophobicContact CZ-CG2 4.19Å; I92-V168 HydrophobicContact CD1-CG1 3.82Å; I92-V168 HydrophobicContact CG1-CG1 4Å; I92-V168 HydrophobicContact CG2-CG1 4.15Å; V124-V168 HydrophobicContact CG1-CG1 4.22Å; V126-V168 HydrophobicContact CG2-CG1 3.78Å; V126-V168 HydrophobicContact CG2-CG2 3.88Å; F155-V168 HydrophobicContact CB-CG2 3.67Å; F155-V168 HydrophobicContact CD1-CG2 4.21Å; F155-V168 HydrophobicContact CD2-CG2 3.92Å; F155-V168 HydrophobicContact CG-CG2 3.66Å; N164-V168 WeakPolarHBondContact O-CG2 3.25Å; N164-V168 PolarHBondContact O-N 2.99Å; V165-V168 PolarHBondContact O-N 3.19Å; K166-V168 VanDerWaalsContact C-N 3.32Å; K166-V168 PolarHBondContact O-N 3.25Å; V168-R171 PolarHBondContact O-N 3.26Å; V168-L172 WeakPolarHBondContact O-CB 3.48Å; V168-L172 PolarHBondContact O-N 3.01Å
169F98.3Very high96.7Very high0 Ų043.4 Ų43.40%021%0.213CC..Hα-helixtrans-64.5-46.6179.3-77.9-84.5000111.6L18 I20 F31 Y35 I68 I92 V165 K166 R171 L172 V173L18-F169 HydrophobicContact CD1-CD1 4.18Å; I20-F169 HydrophobicContact CD1-CZ 3.99Å; F31-F169 AromaticContact CD1-CE2 3.63Å; F31-F169 HydrophobicContact CD1-CE2 3.63Å; F31-F169 HydrophobicContact CD1-CZ 4.16Å; F31-F169 HydrophobicContact CE1-CD2 4.05Å; F31-F169 AromaticContact CE1-CE2 3.46Å; F31-F169 HydrophobicContact CE1-CE2 3.46Å; F31-F169 VanDerWaalsContact CE1-CE2 3.46Å; F31-F169 HydrophobicContact CE1-CZ 4.28Å; Y35-F169 VanDerWaalsContact CB-CE2 3.47Å; Y35-F169 AromaticContact CD1-CD1 3.95Å; Y35-F169 HydrophobicContact CD1-CD1 3.95Å; Y35-F169 AromaticContact CD1-CD2 3.72Å; Y35-F169 HydrophobicContact CD1-CD2 3.72Å; Y35-F169 AromaticContact CD1-CE1 3.94Å; Y35-F169 HydrophobicContact CD1-CE1 3.94Å; Y35-F169 AromaticContact CD1-CE2 3.71Å; Y35-F169 HydrophobicContact CD1-CE2 3.71Å; Y35-F169 AromaticContact CD1-CG 3.84Å; Y35-F169 HydrophobicContact CD1-CG 3.84Å; Y35-F169 AromaticContact CD1-CZ 3.82Å; Y35-F169 HydrophobicContact CD1-CZ 3.82Å; Y35-F169 HydrophobicContact CD2-CB 4.12Å; Y35-F169 AromaticContact CD2-CD2 3.4Å; Y35-F169 HydrophobicContact CD2-CD2 3.4Å; Y35-F169 AromaticContact CD2-CE2 3.96Å; Y35-F169 HydrophobicContact CD2-CE2 3.96Å; Y35-F169 AromaticContact CD2-CG 3.86Å; Y35-F169 HydrophobicContact CD2-CG 3.86Å; Y35-F169 HydrophobicContact CE1-CB 4.12Å; Y35-F169 AromaticContact CE1-CD1 3.75Å; Y35-F169 HydrophobicContact CE1-CD1 3.75Å; Y35-F169 HydrophobicContact CE1-CD2 4.05Å; Y35-F169 HydrophobicContact CE1-CE1 4.14Å; Y35-F169 HydrophobicContact CE1-CE2 4.41Å; Y35-F169 AromaticContact CE1-CG 3.71Å; Y35-F169 HydrophobicContact CE1-CG 3.71Å; Y35-F169 HydrophobicContact CE1-CZ 4.45Å; Y35-F169 HydrophobicContact CE2-CB 3.56Å; Y35-F169 AromaticContact CE2-CD2 3.77Å; Y35-F169 HydrophobicContact CE2-CD2 3.77Å; Y35-F169 AromaticContact CE2-CG 3.73Å; Y35-F169 HydrophobicContact CE2-CG 3.73Å; Y35-F169 HydrophobicContact CG-CD1 4.44Å; Y35-F169 AromaticContact CG-CD2 3.36Å; Y35-F169 HydrophobicContact CG-CD2 3.36Å; Y35-F169 HydrophobicContact CG-CE1 4.49Å; Y35-F169 AromaticContact CG-CE2 3.43Å; Y35-F169 HydrophobicContact CG-CE2 3.43Å; Y35-F169 VanDerWaalsContact CG-CE2 3.43Å; Y35-F169 AromaticContact CG-CG 3.91Å; Y35-F169 HydrophobicContact CG-CG 3.91Å; Y35-F169 HydrophobicContact CG-CZ 4.02Å; Y35-F169 AromaticContact CZ-CG 3.65Å; I68-F169 HydrophobicContact CD1-CD1 4.18Å; I68-F169 HydrophobicContact CD1-CE1 3.7Å; I68-F169 HydrophobicContact CD1-CZ 4.44Å; I68-F169 HydrophobicContact CG1-CE1 4.25Å; I68-F169 HydrophobicContact CG2-CE1 4.09Å; I92-F169 HydrophobicContact CD1-CD1 3.77Å; I92-F169 HydrophobicContact CD1-CD2 4.27Å; I92-F169 HydrophobicContact CD1-CE1 3.46Å; I92-F169 VanDerWaalsContact CD1-CE1 3.46Å; I92-F169 HydrophobicContact CD1-CE2 4.01Å; I92-F169 HydrophobicContact CD1-CG 4.17Å; I92-F169 HydrophobicContact CD1-CZ 3.6Å; V165-F169 WeakPolarHBondContact O-CD2 3.16Å; K166-F169 PolarHBondContact O-N 3.49Å; F169-R171 PolarHBondContact O-N 2.82Å; F169-L172 PolarHBondContact O-N 3.27Å; F169-V173 VanDerWaalsContact O-CG2 3.26Å; F169-V173 WeakPolarHBondContact O-CG2 3.43Å; F169-V173 PolarHBondContact O-N 2.76Å
170D97.3Very high96.1Very high18 Ų1845.9 Ų45.910%0.09623%0.225CC..Hα-helixtrans-53.3-52.2175.7-91.624.3000111.2R59 K166 L172 V173 D174R59-D170 IonicContact CZ-OD1 2.76Å; R59-D170 IonicContact CZ-OD2 2.73Å; R59-D170 VanDerWaalsContact CZ-OD2 3.23Å; R59-D170 IonicContact NH1-OD1 3.17Å; R59-D170 IonicContact NH1-OD2 3.82Å; R59-D170 PolarHBondContact NH1-OD2 2.71Å; R59-D170 IonicContact NH2-OD1 3.38Å; R59-D170 IonicContact NH2-OD2 3.34Å; R59-D170 PolarHBondContact NH2-OD2 2.95Å; K166-D170 IonicContact NZ-OD1 2.64Å; K166-D170 PolarHBondContact NZ-OD1 2.77Å; K166-D170 IonicContact NZ-OD2 3.83Å; K166-D170 PolarHBondContact NZ-OD2 3.31Å; K166-D170 WeakPolarHBondContact O-CB 3.38Å; K166-D170 PolarHBondContact O-N 3.48Å; D170-L172 PolarHBondContact O-N 2.95Å; D170-V173 PolarHBondContact O-N 2.96Å; D170-D174 PolarHBondContact O-N 2.89Å; D170-D174 VanDerWaalsContact O-OD2 3.12Å
171R97.8Very high95.4Very high86 Ų8643.7 Ų43.733%0.32522%0.222SC..Hα-helixtrans-63.8-42.5-179.8-178.760.5179.8144.3-0.2111.8E153 F155 N167 V168 F169 V173 D174 I175E153-R171 IonicContact OE1-CZ 3.46Å; E153-R171 IonicContact OE1-NE 3.67Å; E153-R171 PolarHBondContact OE1-NE 3.4Å; E153-R171 VanDerWaalsContact OE1-NE 3.12Å; E153-R171 IonicContact OE1-NH2 3.07Å; E153-R171 PolarHBondContact OE1-NH2 3.33Å; F155-R171 HydrophobicContact CE2-CB 4.3Å; F155-R171 HydrophobicContact CE2-CG 4.11Å; F155-R171 HydrophobicContact CZ-CB 3.98Å; F155-R171 HydrophobicContact CZ-CG 3.91Å; N167-R171 VanDerWaalsContact O-CB 3.24Å; N167-R171 WeakPolarHBondContact O-CB 3.44Å; N167-R171 PolarHBondContact O-N 2.83Å; V168-R171 PolarHBondContact O-N 3.26Å; F169-R171 PolarHBondContact O-N 2.82Å; R171-V173 VanDerWaalsContact C-N 3.31Å; R171-V173 PolarHBondContact O-N 3.12Å; R171-D174 PolarHBondContact O-N 3Å; R171-I175 HydrophobicContact CG-CD1 3.91Å; R171-I175 HydrophobicContact CG-CG1 4.42Å; R171-I175 WeakPolarHBondContact O-CD1 3.48Å; R171-I175 VanDerWaalsContact O-CG1 3.23Å; R171-I175 WeakPolarHBondContact O-CG1 3.24Å; R171-I175 PolarHBondContact O-N 3Å
172L98Very high94.5Very high0 Ų043.2 Ų43.20%022%0.223CC..Hα-helixtrans-61.8-41.2177.5179.957.5000111.6L18 I92 Q122 V124 V168 F169 D170 I176L18-L172 HydrophobicContact CD1-CD2 4.35Å; L18-L172 HydrophobicContact CD2-CD2 3.96Å; L18-L172 HydrophobicContact CD2-CG 4.24Å; I92-L172 HydrophobicContact CD1-CD2 4.38Å; I92-L172 HydrophobicContact CG1-CD2 3.73Å; Q122-L172 HydrophobicContact CB-CD1 3.8Å; V124-L172 HydrophobicContact CG2-CB 4.14Å; V124-L172 HydrophobicContact CG2-CD1 4.09Å; V168-L172 WeakPolarHBondContact O-CB 3.48Å; V168-L172 PolarHBondContact O-N 3.01Å; F169-L172 PolarHBondContact O-N 3.27Å; D170-L172 PolarHBondContact O-N 2.95Å; L172-I176 HydrophobicContact CD1-CD1 4.09Å; L172-I176 HydrophobicContact CD1-CG1 4.42Å; L172-I176 HydrophobicContact CG-CD1 4.03Å; L172-I176 WeakPolarHBondContact O-CD1 3.42Å; L172-I176 WeakPolarHBondContact O-CG1 3.33Å; L172-I176 PolarHBondContact O-N 3.04Å; L172-I176 VanDerWaalsContact O-N 3.08Å
173V97Very high93.4Very high0 Ų043.6 Ų43.60%023%0.225CC..Hα-helixtrans-62.6-45.3174.7169.30000110.8F16 I57 R59 L66 F169 D170 R171 I175 I176 C177F16-V173 HydrophobicContact CD2-CG1 4.23Å; F16-V173 HydrophobicContact CD2-CG2 4.31Å; F16-V173 HydrophobicContact CE2-CG1 3.89Å; I57-V173 HydrophobicContact CD1-CB 4.45Å; I57-V173 HydrophobicContact CD1-CG1 4.13Å; I57-V173 HydrophobicContact CD1-CG2 4.02Å; R59-V173 HydrophobicContact CG-CG1 3.92Å; L66-V173 HydrophobicContact CD1-CG2 4.03Å; L66-V173 HydrophobicContact CD2-CG2 3.57Å; L66-V173 HydrophobicContact CG-CG2 4.45Å; F169-V173 VanDerWaalsContact O-CG2 3.26Å; F169-V173 WeakPolarHBondContact O-CG2 3.43Å; F169-V173 PolarHBondContact O-N 2.76Å; D170-V173 PolarHBondContact O-N 2.96Å; R171-V173 VanDerWaalsContact C-N 3.31Å; R171-V173 PolarHBondContact O-N 3.12Å; V173-I175 PolarHBondContact O-N 3.34Å; V173-I176 PolarHBondContact O-N 2.77Å; V173-C177 PolarHBondContact O-N 2.73Å; V173-C177 PolarHBondContact O-SG 2.9Å; V173-C177 VanDerWaalsContact O-SG 3.35Å
174D95.9Very high91.7Very high34 Ų3446.2 Ų46.218%0.18224%0.236CC..Hα-helixtrans-61.9-45.3-179.6-60.2-24.7000110.6R59 D170 R171 I176 C177 D178R59-D174 IonicContact CZ-OD1 3.96Å; R59-D174 IonicContact CZ-OD2 3.77Å; R59-D174 IonicContact NE-OD1 2.61Å; R59-D174 PolarHBondContact NE-OD1 2.93Å; R59-D174 IonicContact NE-OD2 3.01Å; R59-D174 IonicContact NH2-OD1 3.02Å; R59-D174 IonicContact NH2-OD2 2.91Å; R59-D174 PolarHBondContact NH2-OD2 2.92Å; D170-D174 PolarHBondContact O-N 2.89Å; D170-D174 VanDerWaalsContact O-OD2 3.12Å; R171-D174 PolarHBondContact O-N 3Å; D174-I176 VanDerWaalsContact C-N 3.32Å; D174-I176 PolarHBondContact O-N 2.89Å; D174-C177 WeakPolarHBondContact O-CB 3.46Å; D174-C177 PolarHBondContact O-N 3.41Å; D174-C177 VanDerWaalsContact O-N 3.16Å; D174-D178 PolarHBondContact O-N 2.69Å
175I95.5Very high89.8Confident25 Ų2549.6 Ų49.613%0.12825%0.254CS..Hα-helixtrans-60.6-40.2176-61.2161.5000111.8Q122 V124 E153 R171 V173 K179Q122-I175 HydrophobicContact CB-CG2 4.14Å; Q122-I175 HydrophobicContact CG-CG2 3.72Å; V124-I175 HydrophobicContact CG2-CD1 4.37Å; E153-I175 HydrophobicContact CG-CD1 3.94Å; R171-I175 HydrophobicContact CG-CD1 3.91Å; R171-I175 HydrophobicContact CG-CG1 4.42Å; R171-I175 WeakPolarHBondContact O-CD1 3.48Å; R171-I175 VanDerWaalsContact O-CG1 3.23Å; R171-I175 WeakPolarHBondContact O-CG1 3.24Å; R171-I175 PolarHBondContact O-N 3Å; V173-I175 PolarHBondContact O-N 3.34Å; I175-K179 WeakPolarHBondContact O-CB 3.34Å; I175-K179 PolarHBondContact O-N 3.21Å
176I94.9Very high87.7Confident5 Ų554 Ų543%0.02629%0.285CS..Hα-helixtrans-66.3-40.6177.7-71.1166.6000110.9F16 L18 M89 Q122 L172 V173 D174 M180F16-I176 HydrophobicContact CD1-CG2 4.13Å; F16-I176 HydrophobicContact CD2-CB 4.27Å; F16-I176 HydrophobicContact CD2-CD1 4.38Å; F16-I176 HydrophobicContact CD2-CG2 3.77Å; F16-I176 HydrophobicContact CE1-CG2 4.03Å; F16-I176 HydrophobicContact CE2-CB 4.1Å; F16-I176 HydrophobicContact CE2-CG2 3.61Å; F16-I176 HydrophobicContact CG-CG2 4.06Å; F16-I176 HydrophobicContact CZ-CG2 3.8Å; L18-I176 HydrophobicContact CD2-CD1 3.58Å; M89-I176 HydrophobicContact CB-CD1 4.11Å; M89-I176 HydrophobicContact CB-CG2 4.39Å; M89-I176 HydrophobicContact CE-CG2 3.63Å; Q122-I176 HydrophobicContact CB-CG1 4.1Å; Q122-I176 HydrophobicContact CG-CG1 3.9Å; L172-I176 HydrophobicContact CD1-CD1 4.09Å; L172-I176 HydrophobicContact CD1-CG1 4.42Å; L172-I176 HydrophobicContact CG-CD1 4.03Å; L172-I176 WeakPolarHBondContact O-CD1 3.42Å; L172-I176 WeakPolarHBondContact O-CG1 3.33Å; L172-I176 PolarHBondContact O-N 3.04Å; L172-I176 VanDerWaalsContact O-N 3.08Å; V173-I176 PolarHBondContact O-N 2.77Å; D174-I176 VanDerWaalsContact C-N 3.32Å; D174-I176 PolarHBondContact O-N 2.89Å; I176-M180 HydrophobicContact CG2-CE 4.03Å; I176-M180 WeakPolarHBondContact O-CG 3.25Å; I176-M180 PolarHBondContact O-N 3.13Å; I176-M180 VanDerWaalsContact O-N 3.12Å
177C92.7Very high85Confident19 Ų1954.9 Ų54.913%0.12829%0.294CS..Hα-helixtrans-61.7-51.1175-72.40000111.5V173 D174 K179 M180 S181V173-C177 PolarHBondContact O-N 2.73Å; V173-C177 PolarHBondContact O-SG 2.9Å; V173-C177 VanDerWaalsContact O-SG 3.35Å; D174-C177 WeakPolarHBondContact O-CB 3.46Å; D174-C177 PolarHBondContact O-N 3.41Å; D174-C177 VanDerWaalsContact O-N 3.16Å; C177-K179 VanDerWaalsContact C-N 3.27Å; C177-K179 PolarHBondContact O-N 2.9Å; C177-M180 PolarHBondContact O-N 2.91Å; C177-S181 PolarHBondContact O-N 3.26Å; C177-S181 PolarHBondContact O-OG 3.18Å
178D91.4Very high82.3Confident71 Ų7156.7 Ų56.738%0.3831%0.311SS..Hα-helixtrans-56.1-44.6-179.7-64.2-16.9000110.6D174 M180 S181 D182D174-D178 PolarHBondContact O-N 2.69Å; D178-M180 VanDerWaalsContact C-N 3.32Å; D178-M180 PolarHBondContact O-N 3.41Å; D178-S181 WeakPolarHBondContact CA-OG 3.28Å; D178-S181 PolarHBondContact O-N 2.76Å; D178-S181 PolarHBondContact O-OG 3.41Å; D178-D182 PolarHBondContact O-N 2.65Å; D178-D182 VanDerWaalsContact O-N 3.14Å
179K88.9Confident79.4Confident57 Ų5759.5 Ų59.525%0.24834%0.339CS..Hα-helixtrans-66.9-30.8178-170.1164.6-174.7169.50113.4N120 Q122 I175 C177 N183N120-K179 PolarHBondContact O-NZ 3Å; N120-K179 WeakPolarHBondContact OD1-CE 3.42Å; N120-K179 PolarHBondContact OD1-NZ 2.85Å; Q122-K179 HydrophobicContact CG-CD 4.4Å; I175-K179 WeakPolarHBondContact O-CB 3.34Å; I175-K179 PolarHBondContact O-N 3.21Å; C177-K179 VanDerWaalsContact C-N 3.27Å; C177-K179 PolarHBondContact O-N 2.9Å; K179-N183 PolarHBondContact O-ND2 2.85Å
180M85.5Confident76.6Confident54 Ų5465.6 Ų65.627%0.26638%0.377SS..Hα-helixtrans-75.1-34.8175.4-74.2-169.1-67.600112.4F16 M89 I176 C177 D178 N183 I184F16-M180 HydrophobicContact CD1-CE 4.28Å; F16-M180 HydrophobicContact CE1-CE 3.12Å; F16-M180 HydrophobicContact CE1-SD 4.16Å; F16-M180 HydrophobicContact CE2-CE 4.29Å; F16-M180 HydrophobicContact CZ-CE 3.14Å; M89-M180 HydrophobicContact CE-CE 4.22Å; M89-M180 HydrophobicContact CE-SD 3.75Å; I176-M180 HydrophobicContact CG2-CE 4.03Å; I176-M180 WeakPolarHBondContact O-CG 3.25Å; I176-M180 PolarHBondContact O-N 3.13Å; I176-M180 VanDerWaalsContact O-N 3.12Å; C177-M180 PolarHBondContact O-N 2.91Å; D178-M180 VanDerWaalsContact C-N 3.32Å; D178-M180 PolarHBondContact O-N 3.41Å; M180-N183 PolarHBondContact O-N 3.15Å; M180-I184 WeakPolarHBondContact O-CG1 3.48Å; M180-I184 PolarHBondContact O-N 3.26Å
181S83.4Confident73.8Confident51 Ų5172 Ų7236%0.35742%0.416SS..Hα-helixtrans-63.3-43.7173.736.80000111.9C177 D178 N183 I184 D185C177-S181 PolarHBondContact O-N 3.26Å; C177-S181 PolarHBondContact O-OG 3.18Å; D178-S181 WeakPolarHBondContact CA-OG 3.28Å; D178-S181 PolarHBondContact O-N 2.76Å; D178-S181 PolarHBondContact O-OG 3.41Å; S181-N183 PolarHBondContact O-N 2.7Å; S181-I184 PolarHBondContact O-N 3.44Å; S181-D185 PolarHBondContact O-N 2.94Å; S181-D185 VanDerWaalsContact O-N 3.14Å
182D80.1Confident70.6Confident100 Ų10071.3 Ų71.354%0.53544%0.436SS..Hα-helixtrans-59.1-34179.1-67.7-16.3000112.3D178 S186D178-D182 PolarHBondContact O-N 2.65Å; D178-D182 VanDerWaalsContact O-N 3.14Å; D182-S186 WeakPolarHBondContact O-CB 3.31Å; D182-S186 PolarHBondContact O-N 3.45Å; D182-S186 PolarHBondContact O-OG 2.96Å
183N73.6Confident67.4Low87 Ų8774.5 Ų74.547%0.46547%0.468SS..Hα-helixtrans-73.7-26.7177.8-76.9-59.6000113.4K179 M180 S181K179-N183 PolarHBondContact O-ND2 2.85Å; M180-N183 PolarHBondContact O-N 3.15Å; S181-N183 PolarHBondContact O-N 2.7Å
184I63.3Low64.4Low113 Ų11381.4 Ų81.458%0.57951%0.511SS*.Hα-helixtrans-76.7-44.4177.1-65.8167.3000109.7M180 S181 S186 N187M180-I184 WeakPolarHBondContact O-CG1 3.48Å; M180-I184 PolarHBondContact O-N 3.26Å; S181-I184 PolarHBondContact O-N 3.44Å; I184-S186 VanDerWaalsContact C-N 3.27Å; I184-S186 PolarHBondContact O-N 2.98Å; I184-N187 CarbonylContact O-C 3.57Å; I184-N187 PolarHBondContact O-N 3.21Å
185D59.7Low61.5Low129 Ų12985.6 Ų85.669%0.6954%0.542SS*.Hα-helixtrans-68.9-28.6-179.6-70.1-24000112.3S181 N187S181-D185 PolarHBondContact O-N 2.94Å; S181-D185 VanDerWaalsContact O-N 3.14Å; D185-N187 PolarHBondContact O-N 2.96Å
186S54.5Low58.5Low93 Ų9394.2 Ų94.265%0.6558%0.579SS**THydrogen-bonded Turntrans-71.8-10.6176.1-59.70000114D182 I184D182-S186 WeakPolarHBondContact O-CB 3.31Å; D182-S186 PolarHBondContact O-N 3.45Å; D182-S186 PolarHBondContact O-OG 2.96Å; I184-S186 VanDerWaalsContact C-N 3.27Å; I184-S186 PolarHBondContact O-N 2.98Å
187N40.7Very low55.4Low124 Ų12497 Ų9766%0.66361%0.61SS**  trans-145.475.2-175.9-123.1-11.8000112.9I184 D185 G189I184-N187 CarbonylContact O-C 3.57Å; I184-N187 PolarHBondContact O-N 3.21Å; D185-N187 PolarHBondContact O-N 2.96Å; N187-G189 PolarHBondContact O-N 3.01Å
188P40.2Very low52.5Low125 Ų125103.6 Ų103.681%0.81264%0.643SS**THydrogen-bonded Turntrans-71.414.7178.2-13.129.3000114.3
189G39.7Very low49.6Very low58 Ų58111.7 Ų111.760%0.59867%0.668SS**THydrogen-bonded Turntrans-120.917-154.300000117.6N187N187-G189 PolarHBondContact O-N 3.01Å
190V39.3Very low47.2Very low129 Ų129115.8 Ų115.878%0.78269%0.692SS**  trans-148.376.6170-168.20000111.1G192V190-G192 PolarHBondContact O-N 2.56Å
191V36.9Very low45Very low153 Ų153119 Ų11993%0.92772%0.716SS**  trans-82.2108.3161.9-179.60000107.5
192G31.7Very low43.1Very low71 Ų71122.8 Ų122.873%0.73273%0.732SS**  trans139.791.3165.700000114.2V190V190-G192 PolarHBondContact O-N 2.56Å
193G30.7Very low41Very low66 Ų66127.4 Ų127.468%0.6875%0.747SS**  trans-176.375.2173.500000112.9S195G193-S195 PolarHBondContact O-N 3.32Å
194T34.2Very low39.5Very low146 Ų146128 Ų12890%0.89676%0.755SS**  trans-56.891.6169.530.50000111.5K196T194-K196 PolarHBondContact O-N 3.27Å
195S34.9Very low38.2Very low121 Ų121131.5 Ų131.585%0.84677%0.769SS**  trans-95.196.6169.9-68.60000110.2G193 G197G193-S195 PolarHBondContact O-N 3.32Å; S195-G197 PolarHBondContact O-N 3.35Å
196K32.4Very low37.2Very low206 Ų206134 Ų13490%0.89678%0.777SS**  trans-61.6124.3169.6-77.1176.8172.31760110.6T194T194-K196 PolarHBondContact O-N 3.27Å
197G30.5Very low36.4Very low65 Ų65138.6 Ų138.667%0.6779%0.788SS**  trans62.9106.9135.200000118.9S195S195-G197 PolarHBondContact O-N 3.35Å
198N31.6Very low36.2Very low157 Ų157141.1 Ų141.184%0.8480%0.796SS**  trans-124.9101.3145.7-96.8-2.8000108.5L200N198-L200 PolarHBondContact O-N 3.41Å
199R31.1Very low36.1Very low240 Ų240143.9 Ų143.991%0.90680%0.798SS**  trans-71.4110.4163.6-85.3-176.7-178.4-172.10.4107.1
200L37.2Very low36Very low143 Ų143147.9 Ų147.975%0.74981%0.806SS**  trans-100.7101.8165.9-70.9166.6000107.6N198N198-L200 PolarHBondContact O-N 3.41Å
201T38.7Very low36.1Very low123 Ų123151 Ų15176%0.75581%0.812SS**  trans-94.582.6170.850.50000108.4
202D43.5Very low36.2Very low130 Ų130152 Ų15270%0.69581%0.807SS**  trans-103.896.4171.4-73.3-32.9000109
203K35.9Very low36.6Very low196 Ų196152.7 Ų152.785%0.85281%0.813SS**  trans-91.5128.4159.5-82.9-171.5172.5-175.10107.9Q205K203-Q205 PolarHBondContact O-N 3.37Å
204P43.1Very low37Very low99 Ų99158.3 Ų158.364%0.64382%0.821SS**  trans-68.3127.6-178.110.2-7.3000111.5Q206P204-Q206 PolarHBondContact O-N 3.46Å
205Q36.9Very low37.2Very low188 Ų188157.6 Ų157.688%0.87982%0.821SS**  trans-73.2111.2167.1-77.1178.6-23.500109.1K203 Q207K203-Q205 PolarHBondContact O-N 3.37Å; Q205-Q207 PolarHBondContact O-N 3.22Å
206Q37.8Very low37.2Very low181 Ų181160.8 Ų160.885%0.84682%0.823SS**  trans-65.8109.4166.8-79.2173.3-14.200109P204 Q208P204-Q206 PolarHBondContact O-N 3.46Å; Q206-Q208 PolarHBondContact O-N 3.17Å; Q206-Q208 VanDerWaalsContact O-N 3.13Å
207Q37.2Very low38.3Very low189 Ų189160.8 Ų160.888%0.88385%0.846SS**  trans-72.499.6168.3-82.5176.8-11.500109.4Q205 Q209Q205-Q207 PolarHBondContact O-N 3.22Å; Q207-Q209 PolarHBondContact O-N 3.01Å
208Q37.1Very low38.7Very low177 Ų177165.6 Ų165.683%0.82786%0.855SS**  trans-71.5113.3161.3-83.4173.9-8.500108.6Q206 N210Q206-Q208 PolarHBondContact O-N 3.17Å; Q206-Q208 VanDerWaalsContact O-N 3.13Å; Q208-N210 PolarHBondContact O-N 3Å
209Q38.9Very low39Very low183 Ų183166.1 Ų166.186%0.85586%0.856SS**  trans-69.5108.8170.8-78175.4-10.500109.5Q207 Q211Q207-Q209 PolarHBondContact O-N 3.01Å; Q209-Q211 PolarHBondContact O-N 3.2Å
210N37.6Very low39.5Very low143 Ų143161.9 Ų161.977%0.76585%0.853SS**  trans-64.2109.9166.9-94.8-16.8000109.8Q208 Q212Q208-N210 PolarHBondContact O-N 3Å; N210-Q212 PolarHBondContact O-N 3.09Å
211Q40.2Very low39.6Very low194 Ų194163.1 Ų163.191%0.90786%0.86SS**  trans-82.392.4160.7-71.8179.512.900108.4Q209Q209-Q211 PolarHBondContact O-N 3.2Å
212Q39.5Very low39.7Very low175 Ų175165.6 Ų165.682%0.81887%0.866SS**  trans-117.686.3162.1-81.3-177-8.900108N210N210-Q212 PolarHBondContact O-N 3.09Å
213G39.5Very low39.4Very low84 Ų84167.9 Ų167.987%0.86688%0.877SS**  trans-101.375.6168.800000109.9
214Q38.9Very low39.7Very low184 Ų184165.9 Ų165.986%0.8688%0.879SS**  trans-91.5112.9158.8-95.4177.3-11.200107.3
215C39.2Very low39.4Very low132 Ų132171.1 Ų171.189%0.89290%0.897SS**  trans-127.8107.8158.1-85.60000107.6
216Q35.2Very low39.6Very low188 Ų188169.7 Ų169.788%0.87990%0.899SS**  trans-71.2130.6164.7-71.8171-22.700108.9
217C54.4Low39.8Very low206 Ų206168.6 Ų168.6100%1.39290%0.904SS**  trans-151.60143-74.70000105.9

Retrieved 217 of 217 residues in 364.4 ms (Link to these results)

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