A0A087XJY9_POEFO Loading...

small monomeric GTPase

AlphaFold DB (A0A3B4WP61), UniProt , Accession A0A087XJY9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 218 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
1M38.5Very low69.4Low247 Ų247119.5 Ų119.5100%1.21761%0.607SS**  0980-79162122.500106.7
2G45.7Very low71.7Confident70 Ų70110.1 Ų110.172%0.72256%0.559SS**  trans-73.7128.8174.300000109
3T48.5Very low73.5Confident101 Ų101104.5 Ų104.562%0.6253%0.528SS*.  trans-65.5143.4173.540.10000109.7D5 D6T3-D5 PolarHBondContact O-N 3Å; T3-D6 PolarHBondContact O-N 3.14Å; T3-D6 VanDerWaalsContact O-N 3.09Å
4R53.9Low75.1Confident234 Ų23497.1 Ų97.188%0.88349%0.491SS*.G310 helixtrans-52.7-12.8-179.9-78.2176.6167.1170.6-5.1115.4D6 E7R4-D6 PolarHBondContact O-N 3.09Å; R4-E7 PolarHBondContact O-N 3.27Å
5D54.1Low76.5Confident127 Ų12790.7 Ų90.768%0.67946%0.458SS*.G310 helixtrans-70.1-8.2173.7-85.6-23.7000115.1T3T3-D5 PolarHBondContact O-N 3Å
6D62.4Low77.7Confident94 Ų9485 Ų8550%0.50343%0.43SS..G310 helixtrans-91.6-9.1175.8-75.6-37.5000114.2T3 R4 Y8 K61T3-D6 PolarHBondContact O-N 3.14Å; T3-D6 VanDerWaalsContact O-N 3.09Å; R4-D6 PolarHBondContact O-N 3.09Å; D6-Y8 WeakPolarHBondContact O-CD1 3.39Å; D6-Y8 PolarHBondContact O-N 2.69Å; D6-K61 IonicContact OD1-NZ 3.68Å; D6-K61 PolarHBondContact OD1-NZ 3.38Å
7E84.6Confident78.7Confident160 Ų16080 Ų8075%0.74840%0.404SS*.  trans-87.3110.5177.6-161.3167.7-164.900109.9R4R4-E7 PolarHBondContact O-N 3.27Å
8Y91.2Very high79.6Confident103 Ų10375.6 Ų75.640%0.40438%0.383SS..  trans-131.2145.5178.257.9-94.2000110.5D6 Y10 L11 K61D6-Y8 WeakPolarHBondContact O-CD1 3.39Å; D6-Y8 PolarHBondContact O-N 2.69Å; Y8-Y10 WeakPolarHBondContact CD2-O 3.32Å; Y8-L11 HydrophobicContact CD2-CB 4.16Å; Y8-L11 HydrophobicContact CE2-CB 3.66Å; Y8-L11 HydrophobicContact CE2-CD1 4.4Å; Y8-L11 HydrophobicContact CE2-CG 4.45Å; Y8-K61 HydrophobicContact CD1-CB 4.08Å; Y8-K61 HydrophobicContact CD1-CD 3.46Å; Y8-K61 VanDerWaalsContact CD1-CD 3.46Å; Y8-K61 HydrophobicContact CD1-CG 4.43Å; Y8-K61 HydrophobicContact CD2-CB 4.34Å; Y8-K61 HydrophobicContact CE1-CD 3.75Å; Y8-K61 HydrophobicContact CG-CB 3.83Å; Y8-K61 HydrophobicContact CG-CD 4.11Å
9D93.8Very high80.3Confident77 Ų7772.8 Ų72.841%0.41237%0.369SS..SBendtrans-80-36174.9-63.8-93.2000111.3K58 T59D9-K58 HydrophobicContact CB-CB 4.24Å; D9-K58 HydrophobicContact CB-CD 3.96Å; D9-K58 VanDerWaalsContact CG-CD 3.41Å; D9-K58 VanDerWaalsContact OD1-CD 3.29Å; D9-K58 WeakPolarHBondContact OD1-CD 3.38Å; D9-K58 IonicContact OD1-NZ 2.84Å; D9-K58 PolarHBondContact OD1-NZ 3.32Å; D9-K58 WeakPolarHBondContact OD2-CA 3.34Å; D9-T59 PolarHBondContact N-O 3.32Å; D9-T59 PolarHBondContact OD2-N 2.94Å
10Y95.1Very high80.9Confident32 Ų3271.5 Ų71.513%0.12537%0.367CS..EExtended strand (participates in β ladder)trans-135.4144.2-176.8-62.3-88.4000111.7Y8 F12 K58 T59 I60 K61 Y173 V176 Q180Y8-Y10 WeakPolarHBondContact CD2-O 3.32Å; Y10-F12 HydrophobicContact CD1-CE1 4.01Å; Y10-F12 AromaticContact CD1-CZ 3.94Å; Y10-F12 HydrophobicContact CD1-CZ 3.94Å; Y10-F12 HydrophobicContact CG-CE1 4.24Å; Y10-F12 AromaticContact CG-CZ 3.96Å; Y10-F12 HydrophobicContact CG-CZ 3.96Å; Y10-K58 HydrophobicContact CD2-CB 4.3Å; Y10-K58 HydrophobicContact CE2-CB 4.18Å; Y10-K58 HydrophobicContact CE2-CD 4.38Å; Y10-K58 HydrophobicContact CE2-CG 4.13Å; Y10-T59 PolarHBondContact N-O 3.47Å; Y10-I60 HydrophobicContact CD2-CG1 4.45Å; Y10-K61 PolarHBondContact O-N 3.21Å; Y10-Y173 HydrophobicContact CD2-CD2 4.05Å; Y10-Y173 HydrophobicContact CD2-CE2 4.04Å; Y10-Y173 AromaticContact CE2-CD2 3.89Å; Y10-Y173 HydrophobicContact CE2-CD2 3.89Å; Y10-Y173 AromaticContact CE2-CE2 3.46Å; Y10-Y173 HydrophobicContact CE2-CE2 3.46Å; Y10-Y173 VanDerWaalsContact CE2-CE2 3.46Å; Y10-Y173 AromaticContact CZ-CE2 3.79Å; Y10-V176 HydrophobicContact CD1-CG1 4.25Å; Y10-V176 HydrophobicContact CE1-CG1 4.07Å; Y10-Q180 PolarHBondContact OH-OE1 2.83Å
11L95.5Very high81.4Confident70 Ų7070.4 Ų70.437%0.36637%0.373SS..EExtended strand (participates in β ladder)trans-118.8114.4172.6-175.369.3000108.7Y8 K61 Q63Y8-L11 HydrophobicContact CD2-CB 4.16Å; Y8-L11 HydrophobicContact CE2-CB 3.66Å; Y8-L11 HydrophobicContact CE2-CD1 4.4Å; Y8-L11 HydrophobicContact CE2-CG 4.45Å; L11-K61 WeakPolarHBondContact CA-O 3.29Å; L11-K61 HydrophobicContact CD1-CB 3.9Å; L11-K61 HydrophobicContact CD1-CD 4.24Å; L11-K61 HydrophobicContact CD1-CG 3.96Å; L11-Q63 HydrophobicContact CD1-CG 3.75Å; L11-Q63 HydrophobicContact CG-CG 4.45Å
12F96.6Very high84.2Confident6 Ų658.7 Ų58.73%0.02632%0.315CS..EExtended strand (participates in β ladder)trans-115.3122.1-178.9-64.7-24.5000111.4Y10 I60 K61 A62 Q63 V85 L169 I172 V176Y10-F12 HydrophobicContact CD1-CE1 4.01Å; Y10-F12 AromaticContact CD1-CZ 3.94Å; Y10-F12 HydrophobicContact CD1-CZ 3.94Å; Y10-F12 HydrophobicContact CG-CE1 4.24Å; Y10-F12 AromaticContact CG-CZ 3.96Å; Y10-F12 HydrophobicContact CG-CZ 3.96Å; F12-I60 HydrophobicContact CB-CG2 4.47Å; F12-I60 HydrophobicContact CD2-CD1 4.48Å; F12-I60 HydrophobicContact CD2-CG2 3.36Å; F12-I60 HydrophobicContact CE2-CD1 3.9Å; F12-I60 HydrophobicContact CE2-CG1 4.35Å; F12-I60 HydrophobicContact CE2-CG2 3.72Å; F12-I60 HydrophobicContact CG-CG2 4.06Å; F12-K61 PolarHBondContact N-O 3.14Å; F12-A62 CarbonylContact O-C 3.48Å; F12-A62 WeakPolarHBondContact O-CA 3.05Å; F12-Q63 PolarHBondContact O-N 2.92Å; F12-V85 HydrophobicContact CB-CG2 3.77Å; F12-V85 HydrophobicContact CD1-CG2 4.05Å; F12-V85 HydrophobicContact CG-CG2 4.09Å; F12-L169 HydrophobicContact CB-CD2 4.04Å; F12-L169 HydrophobicContact CD2-CD2 3.99Å; F12-I172 HydrophobicContact CD1-CG2 3.89Å; F12-I172 HydrophobicContact CD2-CB 4.12Å; F12-I172 HydrophobicContact CD2-CG2 3.71Å; F12-I172 HydrophobicContact CE1-CG2 3.87Å; F12-I172 HydrophobicContact CE2-CB 4.08Å; F12-I172 HydrophobicContact CE2-CG2 3.68Å; F12-I172 HydrophobicContact CG-CG2 3.85Å; F12-I172 HydrophobicContact CZ-CG2 3.79Å; F12-V176 HydrophobicContact CE1-CB 4.48Å; F12-V176 HydrophobicContact CE1-CG1 4.46Å; F12-V176 HydrophobicContact CE1-CG2 4.19Å; F12-V176 HydrophobicContact CZ-CB 4.45Å; F12-V176 HydrophobicContact CZ-CG2 4.43Å
13K95.7Very high86.5Confident38 Ų3856 Ų5617%0.16529%0.287CS..EExtended strand (participates in β ladder)trans-85.5118.6171.4-179.5174.2174.1-171.40110.1Q63 Y80 R82 A84 V85 G86K13-Q63 WeakPolarHBondContact CA-O 3.21Å; K13-Y80 WeakPolarHBondContact CE-O 3.4Å; K13-Y80 PolarHBondContact NZ-O 3.26Å; K13-R82 PolarHBondContact NZ-O 3.37Å; K13-A84 HydrophobicContact CG-CB 4.34Å; K13-V85 WeakPolarHBondContact O-CG2 3.28Å; K13-V85 PolarHBondContact O-N 3.04Å; K13-G86 PolarHBondContact O-N 3.4Å
14V96.4Very high88.8Confident1 Ų151.5 Ų51.51%0.00626%0.259CS..EExtended strand (participates in β ladder)trans-119.5135.9177.4-1790000109.7Q63 I64 W65 G86 I168 L169 I172V14-Q63 PolarHBondContact N-O 3.28Å; V14-I64 CarbonylContact O-C 3.58Å; V14-I64 VanDerWaalsContact O-CA 3.32Å; V14-I64 WeakPolarHBondContact O-CA 3.45Å; V14-W65 PolarHBondContact O-N 2.99Å; V14-G86 VanDerWaalsContact CA-O 3.28Å; V14-G86 WeakPolarHBondContact CA-O 3.39Å; V14-I168 HydrophobicContact CG1-CD1 4.46Å; V14-L169 HydrophobicContact CG2-CD2 3.96Å; V14-I172 HydrophobicContact CG2-CD1 4.17Å
15V95.6Very high90.8Very high0 Ų041.4 Ų41.40%023%0.225CC..EExtended strand (participates in β ladder)trans-110.6140.8177.3-63.20000110.9I17 W65 Y81 A84 G86 A87 L88 L109V15-I17 HydrophobicContact CG2-CG2 4.26Å; V15-W65 HydrophobicContact CG1-CB 4.18Å; V15-Y81 HydrophobicContact CG2-CD1 4.21Å; V15-A84 HydrophobicContact CG1-CB 3.85Å; V15-A84 HydrophobicContact CG2-CB 4.21Å; V15-G86 PolarHBondContact N-O 2.96Å; V15-A87 HydrophobicContact CG2-CB 3.69Å; V15-A87 CarbonylContact O-C 3.55Å; V15-A87 VanDerWaalsContact O-CA 3.31Å; V15-A87 WeakPolarHBondContact O-CA 3.37Å; V15-L88 PolarHBondContact O-N 3.29Å; V15-L109 HydrophobicContact CG2-CD1 4.26Å
16L95.9Very high92.8Very high0 Ų035.9 Ų35.90%020%0.195CC..EExtended strand (participates in β ladder)trans-99123.5169.6-49.1-176.7000108.4K24 L28 I64 W65 D66 T67 L88 F165L16-K24 HydrophobicContact CB-CB 4.11Å; L16-K24 HydrophobicContact CB-CD 4.13Å; L16-K24 HydrophobicContact CB-CG 4.38Å; L16-K24 HydrophobicContact CD1-CB 4.25Å; L16-K24 WeakPolarHBondContact CD1-O 3.29Å; L16-L28 HydrophobicContact CD1-CB 3.89Å; L16-I64 HydrophobicContact CD1-CG2 4.18Å; L16-I64 HydrophobicContact CD2-CG2 3.98Å; L16-I64 HydrophobicContact CG-CG2 3.9Å; L16-W65 PolarHBondContact N-O 3.12Å; L16-D66 HydrophobicContact CD1-CB 4.22Å; L16-T67 PolarHBondContact O-N 3.41Å; L16-T67 PolarHBondContact O-OG1 3.08Å; L16-L88 HydrophobicContact CD2-CB 3.69Å; L16-L88 HydrophobicContact CD2-CD1 3.48Å; L16-L88 VanDerWaalsContact CD2-CD1 3.48Å; L16-L88 HydrophobicContact CD2-CG 4.1Å; L16-F165 HydrophobicContact CD2-CE1 4.09Å; L16-F165 HydrophobicContact CD2-CZ 4.06Å
17I94.4Very high94.4Very high0 Ų031.6 Ų31.60%017%0.172CC..EExtended strand (participates in β ladder)trans-130.4159.9-179.863.2169.6000111.1V15 Y81 L88 L89 V90 W105 L109V15-I17 HydrophobicContact CG2-CG2 4.26Å; I17-Y81 HydrophobicContact CG2-CD1 4.44Å; I17-Y81 HydrophobicContact CG2-CE1 3.49Å; I17-Y81 VanDerWaalsContact CG2-CE1 3.49Å; I17-L88 PolarHBondContact N-O 3.07Å; I17-L89 HydrophobicContact CD1-CB 4.37Å; I17-L89 HydrophobicContact CD1-CD1 3.82Å; I17-L89 HydrophobicContact CG1-CB 4.18Å; I17-L89 HydrophobicContact CG1-CD1 3.74Å; I17-V90 PolarHBondContact O-N 3.41Å; I17-W105 HydrophobicContact CB-CE3 4.37Å; I17-W105 HydrophobicContact CD1-CB 4.43Å; I17-L109 HydrophobicContact CD1-CB 3.89Å; I17-L109 HydrophobicContact CD1-CD1 4.23Å; I17-L109 HydrophobicContact CD1-CD2 3.83Å; I17-L109 HydrophobicContact CD1-CG 4.2Å
18G94.7Very high95Very high1 Ų124 Ų241%0.0114%0.136CC..SBendtrans133.1174-175.800000112.2K24 G69 V90 W105G18-K24 PolarHBondContact O-NZ 3.44Å; G18-G69 WeakPolarHBondContact O-CA 3.32Å; G18-V90 WeakPolarHBondContact CA-O 3.34Å; G18-W105 WeakPolarHBondContact O-CZ2 3.29Å
19D93.6Very high95.1Very high23 Ų2319.8 Ų19.812%0.12312%0.122CC..  trans-60.6160.5-173.7-81.39.3000113.8G21 V22 K24 T98 N101 W105D19-G21 PolarHBondContact O-N 3.49Å; D19-V22 HydrophobicContact CB-CG1 3.75Å; D19-V22 VanDerWaalsContact O-CG2 3.23Å; D19-V22 WeakPolarHBondContact O-CG2 3.32Å; D19-K24 PolarHBondContact O-NZ 3.41Å; D19-T98 HydrophobicContact CB-CG2 4.06Å; D19-N101 WeakPolarHBondContact OD1-CB 3.3Å; D19-N101 PolarHBondContact OD2-ND2 2.68Å; D19-W105 PolarHBondContact OD1-NE1 2.75Å
20S91.8Very high95.3Very high46 Ų4618.1 Ų18.132%0.32211%0.11SC..THydrogen-bonded Turntrans-62.5135.7171.1-168.90000110.7V22 S42 G69S20-V22 VanDerWaalsContact C-N 3.34Å; S20-V22 PolarHBondContact O-N 3.32Å; S20-S42 PolarHBondContact OG-OG 3.13Å; S20-G69 PolarHBondContact N-O 2.89Å
21G92.2Very high95.3Very high49 Ų4916.8 Ų16.851%0.50511%0.105SC..THydrogen-bonded Turntrans80.83.5175.800000116.1D19 G23 K125D19-G21 PolarHBondContact O-N 3.49Å; G21-G23 PolarHBondContact O-N 3.5Å; G21-K125 WeakPolarHBondContact O-CE 3.43Å; G21-K125 PolarHBondContact O-NZ 3.05Å
22V95.8Very high95.2Very high0 Ų015 Ų150%010%0.097CC..SBendtrans-70.9-18.4172.9-57.20000113D19 S20 K24 V90 D92 T98 N124 K125D19-V22 HydrophobicContact CB-CG1 3.75Å; D19-V22 VanDerWaalsContact O-CG2 3.23Å; D19-V22 WeakPolarHBondContact O-CG2 3.32Å; S20-V22 VanDerWaalsContact C-N 3.34Å; S20-V22 PolarHBondContact O-N 3.32Å; V22-K24 HydrophobicContact CG2-CD 4.33Å; V22-K24 HydrophobicContact CG2-CG 3.65Å; V22-V90 HydrophobicContact CB-CG1 4.29Å; V22-V90 HydrophobicContact CG2-CB 3.93Å; V22-V90 HydrophobicContact CG2-CG1 3.82Å; V22-D92 HydrophobicContact CB-CB 4.38Å; V22-D92 HydrophobicContact CG1-CB 4.25Å; V22-T98 HydrophobicContact CG1-CG2 3.81Å; V22-N124 PolarHBondContact O-ND2 2.93Å; V22-K125 WeakPolarHBondContact O-CE 3.22Å
23G95.5Very high95Very high13 Ų1319.9 Ų19.913%0.13412%0.115CC..SBendtrans105.920.7173.700000116G21 S25 N26 L27G21-G23 PolarHBondContact O-N 3.5Å; G23-S25 PolarHBondContact O-N 3.34Å; G23-N26 PolarHBondContact O-N 3.5Å; G23-N26 VanDerWaalsContact O-N 3.16Å; G23-L27 PolarHBondContact O-N 3.04Å
24K95.9Very high94.9Very high8 Ų823.4 Ų23.44%0.03514%0.136CC..Hα-helixtrans-52.7-50.2177.6-57.3-173.3-61.9-75.70113.5L16 G18 D19 V22 N26 L27 L28 D66 T67 V90L16-K24 HydrophobicContact CB-CB 4.11Å; L16-K24 HydrophobicContact CB-CD 4.13Å; L16-K24 HydrophobicContact CB-CG 4.38Å; L16-K24 HydrophobicContact CD1-CB 4.25Å; L16-K24 WeakPolarHBondContact CD1-O 3.29Å; G18-K24 PolarHBondContact O-NZ 3.44Å; D19-K24 PolarHBondContact O-NZ 3.41Å; V22-K24 HydrophobicContact CG2-CD 4.33Å; V22-K24 HydrophobicContact CG2-CG 3.65Å; K24-N26 VanDerWaalsContact C-N 3.28Å; K24-N26 PolarHBondContact O-N 3.11Å; K24-L27 WeakPolarHBondContact O-CB 3.35Å; K24-L27 PolarHBondContact O-N 3.44Å; K24-L27 VanDerWaalsContact O-N 3.11Å; K24-L28 PolarHBondContact O-N 2.99Å; K24-D66 WeakPolarHBondContact CB-OD1 3.44Å; K24-T67 WeakPolarHBondContact CE-O 3.18Å; K24-V90 HydrophobicContact CG-CB 4.06Å; K24-V90 HydrophobicContact CG-CG2 4.08Å
25S95.2Very high94.7Very high22 Ų2228.5 Ų28.515%0.15416%0.16CC..Hα-helixtrans-63.5-34.2178.8-34.50000112.8G23 L28 S29 T43 D66G23-S25 PolarHBondContact O-N 3.34Å; S25-L28 PolarHBondContact O-N 3.05Å; S25-S29 WeakPolarHBondContact O-CB 3.41Å; S25-S29 PolarHBondContact O-N 3.25Å; S25-S29 PolarHBondContact O-OG 3.5Å; S25-T43 PolarHBondContact OG-OG1 3.2Å; S25-D66 WeakPolarHBondContact CA-OD2 3.38Å; S25-D66 VanDerWaalsContact CB-OD2 3.26Å; S25-D66 WeakPolarHBondContact CB-OD2 3.1Å; S25-D66 PolarHBondContact OG-OD2 3.44Å
26N96.2Very high94.5Very high10 Ų1031.5 Ų31.55%0.05317%0.173CC..Hα-helixtrans-73-35.8174.7-89.8-47.4000111.6G23 K24 R30 F36 N37 S40 A155G23-N26 PolarHBondContact O-N 3.5Å; G23-N26 VanDerWaalsContact O-N 3.16Å; K24-N26 VanDerWaalsContact C-N 3.28Å; K24-N26 PolarHBondContact O-N 3.11Å; N26-R30 WeakPolarHBondContact O-CB 3.26Å; N26-R30 PolarHBondContact O-N 3.46Å; N26-F36 HydrophobicContact CB-CD2 3.97Å; N26-F36 HydrophobicContact CB-CE2 4.1Å; N26-F36 WeakPolarHBondContact OD1-CD2 3.45Å; N26-N37 PolarHBondContact ND2-O 3.05Å; N26-N37 PolarHBondContact OD1-N 2.84Å; N26-N37 PolarHBondContact OD1-O 2.84Å; N26-S40 PolarHBondContact ND2-OG 3.31Å; N26-A155 HydrophobicContact CB-CB 3.82Å
27L97.1Very high94.2Very high4 Ų435.7 Ų35.72%0.02120%0.195CC..Hα-helixtrans-63.3-44.2170.1-73.6170.8000111.3G23 K24 R30 F31 V90 V122 N124 A155 V161G23-L27 PolarHBondContact O-N 3.04Å; K24-L27 WeakPolarHBondContact O-CB 3.35Å; K24-L27 PolarHBondContact O-N 3.44Å; K24-L27 VanDerWaalsContact O-N 3.11Å; L27-R30 PolarHBondContact O-N 3.5Å; L27-F31 WeakPolarHBondContact O-CB 3.5Å; L27-F31 PolarHBondContact O-N 3.39Å; L27-V90 HydrophobicContact CD1-CG1 3.81Å; L27-V90 HydrophobicContact CD1-CG2 4.08Å; L27-V122 HydrophobicContact CD1-CG1 4.2Å; L27-N124 HydrophobicContact CD1-CB 4.31Å; L27-A155 HydrophobicContact CD2-CB 4.02Å; L27-A155 HydrophobicContact CG-CB 4.26Å; L27-V161 HydrophobicContact CD2-CG1 4.16Å; L27-V161 HydrophobicContact CD2-CG2 3.75Å
28L96.4Very high93.6Very high0 Ų042.5 Ų42.50%023%0.231CC..Hα-helixtrans-59.2-50.7175.4-178.661.3000111.5L16 K24 S25 R30 F31 T32 E47 A49 I64 D66L16-L28 HydrophobicContact CD1-CB 3.89Å; K24-L28 PolarHBondContact O-N 2.99Å; S25-L28 PolarHBondContact O-N 3.05Å; L28-R30 VanDerWaalsContact C-N 3.35Å; L28-F31 PolarHBondContact O-N 2.71Å; L28-T32 HydrophobicContact CD1-CG2 3.94Å; L28-T32 WeakPolarHBondContact O-CB 3.34Å; L28-T32 WeakPolarHBondContact O-CG2 3.45Å; L28-T32 PolarHBondContact O-N 2.82Å; L28-T32 PolarHBondContact O-OG1 3.14Å; L28-E47 HydrophobicContact CD2-CG 4.2Å; L28-A49 HydrophobicContact CD1-CB 3.99Å; L28-A49 HydrophobicContact CD2-CB 4.24Å; L28-A49 HydrophobicContact CG-CB 4.25Å; L28-I64 HydrophobicContact CD1-CB 3.63Å; L28-I64 HydrophobicContact CD1-CD1 4.16Å; L28-I64 HydrophobicContact CD1-CG2 3.5Å; L28-D66 HydrophobicContact CD2-CB 3.65Å
29S94.6Very high93Very high15 Ų1550.3 Ų50.311%0.10527%0.267CS..Hα-helixtrans-65.7-39.3-179.3-61.50000111.6S25 T32 R33 N34 E35S25-S29 WeakPolarHBondContact O-CB 3.41Å; S25-S29 PolarHBondContact O-N 3.25Å; S25-S29 PolarHBondContact O-OG 3.5Å; S29-T32 PolarHBondContact O-N 3.34Å; S29-R33 CarbonylContact O-C 3.57Å; S29-R33 WeakPolarHBondContact O-CA 3.34Å; S29-R33 WeakPolarHBondContact O-CB 3.21Å; S29-R33 PolarHBondContact O-N 3.11Å; S29-R33 PolarHBondContact OG-NH2 3.46Å; S29-N34 PolarHBondContact O-N 3.11Å; S29-N34 VanDerWaalsContact O-N 3.15Å; S29-E35 CarbonylContact C-O 3.48Å; S29-E35 PolarHBondContact O-N 3.33Å
30R96.2Very high92.4Very high43 Ų4351.7 Ų51.716%0.16228%0.279CS..Hα-helixtrans-65.4-42.4177.1-178.561.873.6-171.910.4111.1N26 L27 L28 N34 E35 A155 L156 V161N26-R30 WeakPolarHBondContact O-CB 3.26Å; N26-R30 PolarHBondContact O-N 3.46Å; L27-R30 PolarHBondContact O-N 3.5Å; L28-R30 VanDerWaalsContact C-N 3.35Å; R30-N34 WeakPolarHBondContact CD-OD1 3.49Å; R30-N34 PolarHBondContact NH1-O 3.48Å; R30-N34 PolarHBondContact NH1-OD1 3.03Å; R30-N34 VanDerWaalsContact NH1-OD1 3.11Å; R30-N34 WeakPolarHBondContact O-CA 3.47Å; R30-N34 PolarHBondContact O-N 3.33Å; R30-N34 VanDerWaalsContact O-N 3.16Å; R30-E35 VanDerWaalsContact CA-O 3.32Å; R30-E35 WeakPolarHBondContact CA-O 3.49Å; R30-E35 PolarHBondContact N-O 3.07Å; R30-E35 VanDerWaalsContact N-O 3.14Å; R30-A155 PolarHBondContact NE-O 2.9Å; R30-A155 PolarHBondContact NH2-O 2.88Å; R30-L156 PolarHBondContact NH2-O 3.48Å; R30-V161 HydrophobicContact CB-CG1 4.11Å; R30-V161 HydrophobicContact CG-CB 4.13Å; R30-V161 HydrophobicContact CG-CG1 3.86Å; R30-V161 HydrophobicContact CG-CG2 4.05Å
31F96.3Very high91.9Very high3 Ų358.6 Ų58.61%0.01330%0.303CS..Hα-helixtrans-70.2-41.5176.8-178.4-110.8000112.3L27 L28 R51 I53 I64 V161 F165L27-F31 WeakPolarHBondContact O-CB 3.5Å; L27-F31 PolarHBondContact O-N 3.39Å; L28-F31 PolarHBondContact O-N 2.71Å; F31-R51 HydrophobicContact CD1-CB 4.43Å; F31-R51 HydrophobicContact CE1-CB 3.84Å; F31-R51 HydrophobicContact CE1-CG 4.09Å; F31-R51 HydrophobicContact CZ-CB 4.49Å; F31-R51 HydrophobicContact CZ-CG 4.3Å; F31-R51 WeakPolarHBondContact O-CD 3.22Å; F31-R51 PolarHBondContact O-NH1 2.83Å; F31-I53 HydrophobicContact CZ-CG2 4.11Å; F31-I64 HydrophobicContact CD1-CD1 3.46Å; F31-I64 VanDerWaalsContact CD1-CD1 3.46Å; F31-I64 HydrophobicContact CE1-CD1 3.53Å; F31-V161 HydrophobicContact CB-CG1 4.14Å; F31-F165 HydrophobicContact CB-CD2 3.59Å; F31-F165 HydrophobicContact CB-CE2 3.51Å; F31-F165 HydrophobicContact CB-CG 4.31Å; F31-F165 HydrophobicContact CB-CZ 4.16Å; F31-F165 HydrophobicContact CD1-CB 4.26Å; F31-F165 AromaticContact CD1-CD1 3.93Å; F31-F165 HydrophobicContact CD1-CD1 3.93Å; F31-F165 AromaticContact CD1-CD2 3.96Å; F31-F165 HydrophobicContact CD1-CD2 3.96Å; F31-F165 HydrophobicContact CD1-CE1 4.24Å; F31-F165 HydrophobicContact CD1-CE2 4.28Å; F31-F165 AromaticContact CD1-CG 3.79Å; F31-F165 HydrophobicContact CD1-CG 3.79Å; F31-F165 HydrophobicContact CD1-CZ 4.41Å; F31-F165 HydrophobicContact CD2-CB 3.62Å; F31-F165 AromaticContact CD2-CD2 3.47Å; F31-F165 HydrophobicContact CD2-CD2 3.47Å; F31-F165 VanDerWaalsContact CD2-CD2 3.47Å; F31-F165 HydrophobicContact CD2-CE2 4.29Å; F31-F165 AromaticContact CD2-CG 3.66Å; F31-F165 HydrophobicContact CD2-CG 3.66Å; F31-F165 HydrophobicContact CE1-CB 3.99Å; F31-F165 HydrophobicContact CE1-CD1 4.05Å; F31-F165 AromaticContact CE1-CG 3.95Å; F31-F165 HydrophobicContact CE1-CG 3.95Å; F31-F165 HydrophobicContact CE2-CB 3.31Å; F31-F165 HydrophobicContact CE2-CD2 4.12Å; F31-F165 AromaticContact CE2-CG 3.84Å; F31-F165 HydrophobicContact CE2-CG 3.84Å; F31-F165 HydrophobicContact CG-CB 4.1Å; F31-F165 HydrophobicContact CG-CD1 4.22Å; F31-F165 AromaticContact CG-CD2 3.38Å; F31-F165 HydrophobicContact CG-CD2 3.38Å; F31-F165 AromaticContact CG-CE2 3.78Å; F31-F165 HydrophobicContact CG-CE2 3.78Å; F31-F165 AromaticContact CG-CG 3.64Å; F31-F165 HydrophobicContact CG-CG 3.64Å; F31-F165 HydrophobicContact CG-CZ 4.34Å; F31-F165 HydrophobicContact CZ-CB 3.51Å; F31-F165 HydrophobicContact CZ-CD1 4.44Å; F31-F165 AromaticContact CZ-CG 3.98Å; F31-F165 HydrophobicContact CZ-CG 3.98Å
32T93.9Very high91.4Very high34 Ų3459.1 Ų59.121%0.20930%0.299CS..Hα-helixtrans-89.8-33.7-171.255.80000114L28 S29 A49 R51 I64L28-T32 HydrophobicContact CD1-CG2 3.94Å; L28-T32 WeakPolarHBondContact O-CB 3.34Å; L28-T32 WeakPolarHBondContact O-CG2 3.45Å; L28-T32 PolarHBondContact O-N 2.82Å; L28-T32 PolarHBondContact O-OG1 3.14Å; S29-T32 PolarHBondContact O-N 3.34Å; T32-A49 HydrophobicContact CG2-CB 3.8Å; T32-R51 HydrophobicContact CG2-CB 4.3Å; T32-I64 HydrophobicContact CG2-CD1 4.41Å
33R92.1Very high90.5Very high107 Ų10760.3 Ų60.340%0.40431%0.306SS..Hα-helixtrans-122.5-4.8-172.8-60.9-177-77.1-103.61.4113.6S29 E35 E47S29-R33 CarbonylContact O-C 3.57Å; S29-R33 WeakPolarHBondContact O-CA 3.34Å; S29-R33 WeakPolarHBondContact O-CB 3.21Å; S29-R33 PolarHBondContact O-N 3.11Å; S29-R33 PolarHBondContact OG-NH2 3.46Å; R33-E35 HydrophobicContact CB-CB 4.13Å; R33-E35 HydrophobicContact CB-CG 3.82Å; R33-E35 WeakPolarHBondContact CD-OE2 3.42Å; R33-E35 IonicContact NE-OE2 2.7Å; R33-E35 PolarHBondContact NE-OE2 3.39Å; R33-E35 PolarHBondContact O-N 3.3Å; R33-E47 IonicContact CZ-OE1 3.6Å; R33-E47 IonicContact NH1-OE1 3.24Å; R33-E47 IonicContact NH2-OE1 3.79Å; R33-E47 PolarHBondContact NH2-OE1 2.87Å
34N92.6Very high89.4Confident113 Ų11366.6 Ų66.660%0.60434%0.335SS*.SBendtrans53.435.5-167.8-165.121.3000113S29 R30S29-N34 PolarHBondContact O-N 3.11Å; S29-N34 VanDerWaalsContact O-N 3.15Å; R30-N34 WeakPolarHBondContact CD-OD1 3.49Å; R30-N34 PolarHBondContact NH1-O 3.48Å; R30-N34 PolarHBondContact NH1-OD1 3.03Å; R30-N34 VanDerWaalsContact NH1-OD1 3.11Å; R30-N34 WeakPolarHBondContact O-CA 3.47Å; R30-N34 PolarHBondContact O-N 3.33Å; R30-N34 VanDerWaalsContact O-N 3.16Å
35E92.4Very high88.3Confident107 Ų10767.4 Ų67.450%0.535%0.346SS..  trans-110.2151.7-179.2-72.8172.5175.600111.3S29 R30 R33S29-E35 CarbonylContact C-O 3.48Å; S29-E35 PolarHBondContact O-N 3.33Å; R30-E35 VanDerWaalsContact CA-O 3.32Å; R30-E35 WeakPolarHBondContact CA-O 3.49Å; R30-E35 PolarHBondContact N-O 3.07Å; R30-E35 VanDerWaalsContact N-O 3.14Å; R33-E35 HydrophobicContact CB-CB 4.13Å; R33-E35 HydrophobicContact CB-CG 3.82Å; R33-E35 WeakPolarHBondContact CD-OE2 3.42Å; R33-E35 IonicContact NE-OE2 2.7Å; R33-E35 PolarHBondContact NE-OE2 3.39Å; R33-E35 PolarHBondContact O-N 3.3Å
36F92.3Very high87.7Confident64 Ų6468.2 Ų68.228%0.28135%0.35SS..  trans-139.3136.2171.1173.5-92000110N26 L38 A155 L156N26-F36 HydrophobicContact CB-CD2 3.97Å; N26-F36 HydrophobicContact CB-CE2 4.1Å; N26-F36 WeakPolarHBondContact OD1-CD2 3.45Å; F36-L38 HydrophobicContact CE1-CB 4.05Å; F36-L38 HydrophobicContact CE1-CD1 3.89Å; F36-L38 HydrophobicContact CZ-CD1 4.21Å; F36-A155 HydrophobicContact CD2-CB 4.11Å; F36-A155 WeakPolarHBondContact CD2-O 3.26Å; F36-A155 HydrophobicContact CE2-CB 4.27Å; F36-L156 HydrophobicContact CD1-CD1 3.81Å; F36-L156 HydrophobicContact CE1-CD1 3.35Å; F36-L156 HydrophobicContact CE2-CB 4.12Å; F36-L156 HydrophobicContact CE2-CD1 4.38Å; F36-L156 HydrophobicContact CZ-CB 4.11Å; F36-L156 HydrophobicContact CZ-CD1 3.67Å; F36-L156 HydrophobicContact CZ-CG 4.5Å
37N87.9Confident87.3Confident87 Ų8770.8 Ų70.847%0.46536%0.361SS..  trans-121.6112.5177.4-173.7-3.9000110.1N26 E39 S40N26-N37 PolarHBondContact ND2-O 3.05Å; N26-N37 PolarHBondContact OD1-N 2.84Å; N26-N37 PolarHBondContact OD1-O 2.84Å; N37-E39 VanDerWaalsContact C-N 3.27Å; N37-E39 PolarHBondContact O-N 3.18Å; N37-E39 WeakPolarHBondContact OD1-CA 3.37Å; N37-E39 PolarHBondContact OD1-N 2.95Å; N37-S40 WeakPolarHBondContact O-CB 3.22Å; N37-S40 PolarHBondContact O-N 3.12Å
38L83.1Confident86.9Confident144 Ų14474.9 Ų74.975%0.75438%0.379SS*.THydrogen-bonded Turntrans-63.9-34.8176.2-165.382.2000111.6F36 S40F36-L38 HydrophobicContact CE1-CB 4.05Å; F36-L38 HydrophobicContact CE1-CD1 3.89Å; F36-L38 HydrophobicContact CZ-CD1 4.21Å; L38-S40 VanDerWaalsContact C-N 3.28Å; L38-S40 PolarHBondContact O-N 3.27Å
39E82.3Confident86.8Confident164 Ų16475.3 Ų75.377%0.76638%0.383SS*.THydrogen-bonded Turntrans-93.726-179.5-58.9-17116600112.2N37 K41N37-E39 VanDerWaalsContact C-N 3.27Å; N37-E39 PolarHBondContact O-N 3.18Å; N37-E39 WeakPolarHBondContact OD1-CA 3.37Å; N37-E39 PolarHBondContact OD1-N 2.95Å; E39-K41 PolarHBondContact O-N 3.23Å
40S80.3Confident86.8Confident53 Ų5377.8 Ų77.837%0.37140%0.398SS..  trans-56.1114.617865.40000110.3N26 N37 L38N26-S40 PolarHBondContact ND2-OG 3.31Å; N37-S40 WeakPolarHBondContact O-CB 3.22Å; N37-S40 PolarHBondContact O-N 3.12Å; L38-S40 VanDerWaalsContact C-N 3.28Å; L38-S40 PolarHBondContact O-N 3.27Å
41K80.8Confident86.7Confident191 Ų19179.1 Ų79.183%0.8340%0.403SS*.PPolyproline II helixtrans-70.3160.4174.3-66.2-178.5-179.7176.20110E39 T43E39-K41 PolarHBondContact O-N 3.23Å; K41-T43 PolarHBondContact O-N 2.84Å
42S81.7Confident86.6Confident60 Ų6081.3 Ų81.342%0.4242%0.418SS..PPolyproline II helixtrans-56.5130171.9-66.60000110.2S20 I44S20-S42 PolarHBondContact OG-OG 3.13Å; S42-I44 PolarHBondContact O-N 2.94Å
43T77.1Confident86.6Confident25 Ų2580.3 Ų80.315%0.15341%0.411CS..PPolyproline II helixtrans-56.2125.3173.3-43.60000109.7S25 K41 D66 A68S25-T43 PolarHBondContact OG-OG1 3.2Å; K41-T43 PolarHBondContact O-N 2.84Å; T43-D66 PolarHBondContact OG1-OD2 2.69Å; T43-A68 WeakPolarHBondContact O-CB 3.48Å
44I73.9Confident86.7Confident145 Ų14582.3 Ų82.374%0.74443%0.426SS*.  trans-95.7113.9172-59.2176000106.6S42 V46S42-I44 PolarHBondContact O-N 2.94Å; I44-V46 PolarHBondContact O-N 3.25Å
45G72.4Confident86.7Confident25 Ų2577.5 Ų77.526%0.25840%0.4SS..SBendtrans75.4-121-175.800000112.1A68G45-A68 WeakPolarHBondContact O-CB 3.39Å; G45-A68 PolarHBondContact O-N 2.91Å
46V82.3Confident86.6Confident38 Ų3878 Ų7823%0.2341%0.406CS..EExtended strand (participates in β ladder)trans-140.6132.4-173.1-178.60000110.3I44 W65 D66 T67 Y80I44-V46 PolarHBondContact O-N 3.25Å; V46-W65 HydrophobicContact CG1-CB 4.33Å; V46-W65 HydrophobicContact CG1-CE3 3.67Å; V46-W65 HydrophobicContact CG1-CZ3 4.43Å; V46-D66 CarbonylContact C-O 3.32Å; V46-D66 VanDerWaalsContact CA-O 3.28Å; V46-D66 WeakPolarHBondContact CA-O 3.35Å; V46-D66 WeakPolarHBondContact CG1-O 3.21Å; V46-T67 HydrophobicContact CG2-CG2 4.5Å; V46-Y80 HydrophobicContact CB-CD1 4.42Å; V46-Y80 HydrophobicContact CB-CE1 3.97Å; V46-Y80 HydrophobicContact CB-CE2 4.43Å; V46-Y80 HydrophobicContact CG1-CD1 4Å; V46-Y80 HydrophobicContact CG1-CE1 3.94Å; V46-Y80 HydrophobicContact CG2-CD1 4.11Å; V46-Y80 HydrophobicContact CG2-CD2 3.75Å; V46-Y80 HydrophobicContact CG2-CE1 3.84Å; V46-Y80 HydrophobicContact CG2-CE2 3.47Å; V46-Y80 VanDerWaalsContact CG2-CE2 3.47Å; V46-Y80 HydrophobicContact CG2-CG 4.05Å; V46-Y80 VanDerWaalsContact CG2-CZ 3.5Å
47E86.6Confident86.5Confident64 Ų6478.1 Ų78.130%0.29943%0.425SS..EExtended strand (participates in β ladder)trans-100.7145.4169.7-175178.5165.600109.4L28 R33 W65 D66L28-E47 HydrophobicContact CD2-CG 4.2Å; R33-E47 IonicContact CZ-OE1 3.6Å; R33-E47 IonicContact NH1-OE1 3.24Å; R33-E47 IonicContact NH2-OE1 3.79Å; R33-E47 PolarHBondContact NH2-OE1 2.87Å; E47-W65 CarbonylContact O-C 3.59Å; E47-W65 WeakPolarHBondContact O-CA 3.23Å; E47-D66 HydrophobicContact CB-CB 4.24Å; E47-D66 PolarHBondContact N-O 2.81Å; E47-D66 PolarHBondContact O-N 3.5Å
48F89.2Confident86.8Confident90 Ų9077.6 Ų77.640%0.39542%0.419SS..EExtended strand (participates in β ladder)trans-127.6133.2-178.6170.5-97.9000109.9T50 Q63 I64 W65F48-T50 HydrophobicContact CE1-CG2 3.63Å; F48-T50 HydrophobicContact CE2-CG2 4.24Å; F48-T50 HydrophobicContact CZ-CG2 3.35Å; F48-Q63 HydrophobicContact CE2-CB 3.8Å; F48-Q63 HydrophobicContact CE2-CG 3.85Å; F48-Q63 HydrophobicContact CZ-CB 4.32Å; F48-Q63 HydrophobicContact CZ-CG 3.87Å; F48-I64 WeakPolarHBondContact CA-O 3.5Å; F48-W65 HydrophobicContact CB-CE3 4.33Å; F48-W65 HydrophobicContact CB-CZ3 4.45Å; F48-W65 AromaticContact CD2-CD2 3.8Å; F48-W65 HydrophobicContact CD2-CD2 3.8Å; F48-W65 AromaticContact CD2-CE2 3.57Å; F48-W65 HydrophobicContact CD2-CE3 4.14Å; F48-W65 HydrophobicContact CD2-CG 4.3Å; F48-W65 HydrophobicContact CD2-CH2 4.18Å; F48-W65 AromaticContact CD2-CZ2 3.8Å; F48-W65 HydrophobicContact CD2-CZ2 3.8Å; F48-W65 HydrophobicContact CD2-CZ3 4.33Å; F48-W65 AromaticContact CD2-NE1 3.85Å; F48-W65 AromaticContact CE2-CE2 3.86Å; F48-W65 AromaticContact CE2-CZ2 3.94Å; F48-W65 HydrophobicContact CE2-CZ2 3.94Å; F48-W65 AromaticContact CE2-NE1 3.87Å
49A93.8Very high87.3Confident10 Ų1072.3 Ų72.38%0.08339%0.393CS..EExtended strand (participates in β ladder)trans-141.9155.1170.500000111.2L28 T32 I64L28-A49 HydrophobicContact CD1-CB 3.99Å; L28-A49 HydrophobicContact CD2-CB 4.24Å; L28-A49 HydrophobicContact CG-CB 4.25Å; T32-A49 HydrophobicContact CG2-CB 3.8Å; A49-I64 PolarHBondContact N-O 2.95Å; A49-I64 PolarHBondContact O-N 2.9Å
50T94.9Very high88Confident67 Ų6764.5 Ų64.541%0.41136%0.356SS..EExtended strand (participates in β ladder)trans-118.3146.2176.656.10000111F48 A62 Q63F48-T50 HydrophobicContact CE1-CG2 3.63Å; F48-T50 HydrophobicContact CE2-CG2 4.24Å; F48-T50 HydrophobicContact CZ-CG2 3.35Å; T50-A62 WeakPolarHBondContact CA-O 3.45Å; T50-Q63 HydrophobicContact CG2-CG 4Å
51R94.7Very high88.8Confident71 Ų7163.6 Ų63.627%0.26835%0.346SS..EExtended strand (participates in β ladder)trans-148.4133.8169-176.5165.7177-145.7-11109.8F31 T32 A62 E162F31-R51 HydrophobicContact CD1-CB 4.43Å; F31-R51 HydrophobicContact CE1-CB 3.84Å; F31-R51 HydrophobicContact CE1-CG 4.09Å; F31-R51 HydrophobicContact CZ-CB 4.49Å; F31-R51 HydrophobicContact CZ-CG 4.3Å; F31-R51 WeakPolarHBondContact O-CD 3.22Å; F31-R51 PolarHBondContact O-NH1 2.83Å; T32-R51 HydrophobicContact CG2-CB 4.3Å; R51-A62 PolarHBondContact N-O 3.42Å; R51-A62 WeakPolarHBondContact O-CB 3.28Å; R51-A62 PolarHBondContact O-N 3.26Å; R51-E162 IonicContact CZ-OE1 2.66Å; R51-E162 IonicContact CZ-OE2 3.8Å; R51-E162 IonicContact NH1-OE1 3.19Å; R51-E162 IonicContact NH1-OE2 2.7Å; R51-E162 PolarHBondContact NH1-OE2 2.85Å; R51-E162 IonicContact NH2-OE1 3.28Å; R51-E162 PolarHBondContact NH2-OE1 3.31Å; R51-E162 IonicContact NH2-OE2 2.79Å; R51-E162 PolarHBondContact NH2-OE2 3.12Å
52S94.8Very high89.5Confident49 Ų4954.5 Ų54.534%0.34331%0.306SS..EExtended strand (participates in β ladder)trans-91.5136.8173.3-60.50000110I60S52-I60 CarbonylContact C-O 3.55Å; S52-I60 VanDerWaalsContact CA-O 3.28Å; S52-I60 WeakPolarHBondContact CA-O 3.3Å
53I94.1Very high90.2Very high12 Ų1254.1 Ų54.16%0.06230%0.298CS..EExtended strand (participates in β ladder)trans-129158.3172.166.1162.3000109.8F31 V55 I60 K166 L169F31-I53 HydrophobicContact CZ-CG2 4.11Å; I53-V55 HydrophobicContact CD1-CG2 3.7Å; I53-V55 HydrophobicContact CG1-CG2 4.21Å; I53-I60 HydrophobicContact CG1-CB 4.17Å; I53-I60 PolarHBondContact N-O 3.35Å; I53-I60 PolarHBondContact O-N 3.46Å; I53-K166 HydrophobicContact CD1-CG 4.23Å; I53-L169 HydrophobicContact CD1-CB 3.79Å; I53-L169 HydrophobicContact CD1-CD1 3.43Å; I53-L169 VanDerWaalsContact CD1-CD1 3.43Å; I53-L169 HydrophobicContact CD1-CG 4.25Å; I53-L169 HydrophobicContact CG1-CD1 3.99Å
54Q93.6Very high91.1Very high150 Ų15052.9 Ų52.970%0.70129%0.29SS*.EExtended strand (participates in β ladder)trans-99.9131.7169.8-69.9-161.4-9.300110.9K58Q54-K58 WeakPolarHBondContact CA-O 3.36Å
55V92.3Very high92Very high11 Ų1148.8 Ų48.87%0.06727%0.265CS..EExtended strand (participates in β ladder)trans-135.1123.4173.7178.20000107.4I53 G57 K58 I60 T170 Y173I53-V55 HydrophobicContact CD1-CG2 3.7Å; I53-V55 HydrophobicContact CG1-CG2 4.21Å; V55-G57 PolarHBondContact O-N 3.45Å; V55-G57 VanDerWaalsContact O-N 3.12Å; V55-K58 PolarHBondContact N-O 2.91Å; V55-K58 WeakPolarHBondContact O-CA 3.48Å; V55-K58 WeakPolarHBondContact O-CB 3.32Å; V55-K58 PolarHBondContact O-N 3.34Å; V55-I60 HydrophobicContact CB-CD1 3.63Å; V55-I60 HydrophobicContact CB-CG1 4.5Å; V55-I60 HydrophobicContact CG1-CD1 4.36Å; V55-I60 HydrophobicContact CG2-CD1 3.61Å; V55-T170 HydrophobicContact CG1-CG2 3.94Å; V55-Y173 HydrophobicContact CG1-CD1 3.72Å; V55-Y173 HydrophobicContact CG1-CE1 4.25Å; V55-Y173 HydrophobicContact CG1-CG 4.28Å
56D90.3Very high93Very high118 Ų11847.6 Ų47.663%0.63125%0.253SS*.THydrogen-bonded Turntrans49.639.5179.2-59.2-18.5000114.2K58 Y173D56-K58 PolarHBondContact O-N 3.39Å; D56-Y173 HydrophobicContact CB-CE1 3.96Å
57G90.2Very high93.1Very high66 Ų6645.8 Ų45.868%0.6824%0.242SC*.THydrogen-bonded Turntrans746.8-178.400000114.9V55V55-G57 PolarHBondContact O-N 3.45Å; V55-G57 VanDerWaalsContact O-N 3.12Å
58K93.7Very high92.8Very high76 Ų7642.8 Ų42.833%0.3323%0.228SC..EExtended strand (participates in β ladder)trans-103.5138.1175-62.9-62-171179.30111.3D9 Y10 Q54 V55 D56 Y173D9-K58 HydrophobicContact CB-CB 4.24Å; D9-K58 HydrophobicContact CB-CD 3.96Å; D9-K58 VanDerWaalsContact CG-CD 3.41Å; D9-K58 VanDerWaalsContact OD1-CD 3.29Å; D9-K58 WeakPolarHBondContact OD1-CD 3.38Å; D9-K58 IonicContact OD1-NZ 2.84Å; D9-K58 PolarHBondContact OD1-NZ 3.32Å; D9-K58 WeakPolarHBondContact OD2-CA 3.34Å; Y10-K58 HydrophobicContact CD2-CB 4.3Å; Y10-K58 HydrophobicContact CE2-CB 4.18Å; Y10-K58 HydrophobicContact CE2-CD 4.38Å; Y10-K58 HydrophobicContact CE2-CG 4.13Å; Q54-K58 WeakPolarHBondContact CA-O 3.36Å; V55-K58 PolarHBondContact N-O 2.91Å; V55-K58 WeakPolarHBondContact O-CA 3.48Å; V55-K58 WeakPolarHBondContact O-CB 3.32Å; V55-K58 PolarHBondContact O-N 3.34Å; D56-K58 PolarHBondContact O-N 3.39Å; K58-Y173 HydrophobicContact CB-CE2 4.32Å; K58-Y173 HydrophobicContact CG-CE2 4.14Å
59T95.1Very high92Very high34 Ų3438.9 Ų38.921%0.20921%0.214CC..EExtended strand (participates in β ladder)trans-88.4113.3175.8-60.50000109.3D9 Y10D9-T59 PolarHBondContact N-O 3.32Å; D9-T59 PolarHBondContact OD2-N 2.94Å; Y10-T59 PolarHBondContact N-O 3.47Å
60I96Very high90.9Very high0 Ų040.7 Ų40.70%022%0.22CC..EExtended strand (participates in β ladder)trans-103.5118177.4-57.9175.7000108.5Y10 F12 S52 I53 V55 L169 Y173Y10-I60 HydrophobicContact CD2-CG1 4.45Å; F12-I60 HydrophobicContact CB-CG2 4.47Å; F12-I60 HydrophobicContact CD2-CD1 4.48Å; F12-I60 HydrophobicContact CD2-CG2 3.36Å; F12-I60 HydrophobicContact CE2-CD1 3.9Å; F12-I60 HydrophobicContact CE2-CG1 4.35Å; F12-I60 HydrophobicContact CE2-CG2 3.72Å; F12-I60 HydrophobicContact CG-CG2 4.06Å; S52-I60 CarbonylContact C-O 3.55Å; S52-I60 VanDerWaalsContact CA-O 3.28Å; S52-I60 WeakPolarHBondContact CA-O 3.3Å; I53-I60 HydrophobicContact CG1-CB 4.17Å; I53-I60 PolarHBondContact N-O 3.35Å; I53-I60 PolarHBondContact O-N 3.46Å; V55-I60 HydrophobicContact CB-CD1 3.63Å; V55-I60 HydrophobicContact CB-CG1 4.5Å; V55-I60 HydrophobicContact CG1-CD1 4.36Å; V55-I60 HydrophobicContact CG2-CD1 3.61Å; I60-L169 HydrophobicContact CG2-CD2 4.38Å; I60-Y173 HydrophobicContact CD1-CD2 4.24Å; I60-Y173 HydrophobicContact CD1-CG 4.1Å
61K96.6Very high89.3Confident33 Ų3343.5 Ų43.514%0.14323%0.229CC..EExtended strand (participates in β ladder)trans-88.6108.1170.6-167.2165.5-171.6163.40108.7D6 Y8 Y10 L11 F12D6-K61 IonicContact OD1-NZ 3.68Å; D6-K61 PolarHBondContact OD1-NZ 3.38Å; Y8-K61 HydrophobicContact CD1-CB 4.08Å; Y8-K61 HydrophobicContact CD1-CD 3.46Å; Y8-K61 VanDerWaalsContact CD1-CD 3.46Å; Y8-K61 HydrophobicContact CD1-CG 4.43Å; Y8-K61 HydrophobicContact CD2-CB 4.34Å; Y8-K61 HydrophobicContact CE1-CD 3.75Å; Y8-K61 HydrophobicContact CG-CB 3.83Å; Y8-K61 HydrophobicContact CG-CD 4.11Å; Y10-K61 PolarHBondContact O-N 3.21Å; L11-K61 WeakPolarHBondContact CA-O 3.29Å; L11-K61 HydrophobicContact CD1-CB 3.9Å; L11-K61 HydrophobicContact CD1-CD 4.24Å; L11-K61 HydrophobicContact CD1-CG 3.96Å; F12-K61 PolarHBondContact N-O 3.14Å
62A96.6Very high87.7Confident0 Ų049 Ų490%025%0.25CC..EExtended strand (participates in β ladder)trans-84.2130.8174.600000110.2F12 T50 R51 I64 L169F12-A62 CarbonylContact O-C 3.48Å; F12-A62 WeakPolarHBondContact O-CA 3.05Å; T50-A62 WeakPolarHBondContact CA-O 3.45Å; R51-A62 PolarHBondContact N-O 3.42Å; R51-A62 WeakPolarHBondContact O-CB 3.28Å; R51-A62 PolarHBondContact O-N 3.26Å; A62-I64 HydrophobicContact CB-CD1 4.4Å; A62-I64 HydrophobicContact CB-CG1 4.2Å; A62-L169 HydrophobicContact CB-CD1 3.77Å; A62-L169 HydrophobicContact CB-CD2 3.83Å; A62-L169 HydrophobicContact CB-CG 4.48Å
63Q96.1Very high86.3Confident52 Ų5250 Ų5024%0.24325%0.246CC..EExtended strand (participates in β ladder)trans-108.3103.4172.1-81.2-170.5-22.700108.4L11 F12 K13 V14 F48 T50L11-Q63 HydrophobicContact CD1-CG 3.75Å; L11-Q63 HydrophobicContact CG-CG 4.45Å; F12-Q63 PolarHBondContact O-N 2.92Å; K13-Q63 WeakPolarHBondContact CA-O 3.21Å; V14-Q63 PolarHBondContact N-O 3.28Å; F48-Q63 HydrophobicContact CE2-CB 3.8Å; F48-Q63 HydrophobicContact CE2-CG 3.85Å; F48-Q63 HydrophobicContact CZ-CB 4.32Å; F48-Q63 HydrophobicContact CZ-CG 3.87Å; T50-Q63 HydrophobicContact CG2-CG 4Å
64I95.9Very high84.8Confident0 Ų052.8 Ų52.80%026%0.256CS..EExtended strand (participates in β ladder)trans-107.3124.8-170.3-50.2164000109.1V14 L16 L28 F31 T32 F48 A49 A62 F165V14-I64 CarbonylContact O-C 3.58Å; V14-I64 VanDerWaalsContact O-CA 3.32Å; V14-I64 WeakPolarHBondContact O-CA 3.45Å; L16-I64 HydrophobicContact CD1-CG2 4.18Å; L16-I64 HydrophobicContact CD2-CG2 3.98Å; L16-I64 HydrophobicContact CG-CG2 3.9Å; L28-I64 HydrophobicContact CD1-CB 3.63Å; L28-I64 HydrophobicContact CD1-CD1 4.16Å; L28-I64 HydrophobicContact CD1-CG2 3.5Å; F31-I64 HydrophobicContact CD1-CD1 3.46Å; F31-I64 VanDerWaalsContact CD1-CD1 3.46Å; F31-I64 HydrophobicContact CE1-CD1 3.53Å; T32-I64 HydrophobicContact CG2-CD1 4.41Å; F48-I64 WeakPolarHBondContact CA-O 3.5Å; A49-I64 PolarHBondContact N-O 2.95Å; A49-I64 PolarHBondContact O-N 2.9Å; A62-I64 HydrophobicContact CB-CD1 4.4Å; A62-I64 HydrophobicContact CB-CG1 4.2Å; I64-F165 HydrophobicContact CD1-CD1 3.85Å; I64-F165 HydrophobicContact CD1-CE1 3.64Å; I64-F165 HydrophobicContact CD1-CZ 4.48Å; I64-F165 HydrophobicContact CG1-CE1 4.29Å; I64-F165 HydrophobicContact CG2-CE1 4.01Å
65W93.7Very high83.4Confident58 Ų5850.1 Ų50.122%0.2226%0.26CS..EExtended strand (participates in β ladder)trans-109.2110.9-178.6-6177.8000109.3V14 V15 L16 V46 E47 F48 Y80V14-W65 PolarHBondContact O-N 2.99Å; V15-W65 HydrophobicContact CG1-CB 4.18Å; L16-W65 PolarHBondContact N-O 3.12Å; V46-W65 HydrophobicContact CG1-CB 4.33Å; V46-W65 HydrophobicContact CG1-CE3 3.67Å; V46-W65 HydrophobicContact CG1-CZ3 4.43Å; E47-W65 CarbonylContact O-C 3.59Å; E47-W65 WeakPolarHBondContact O-CA 3.23Å; F48-W65 HydrophobicContact CB-CE3 4.33Å; F48-W65 HydrophobicContact CB-CZ3 4.45Å; F48-W65 AromaticContact CD2-CD2 3.8Å; F48-W65 HydrophobicContact CD2-CD2 3.8Å; F48-W65 AromaticContact CD2-CE2 3.57Å; F48-W65 HydrophobicContact CD2-CE3 4.14Å; F48-W65 HydrophobicContact CD2-CG 4.3Å; F48-W65 HydrophobicContact CD2-CH2 4.18Å; F48-W65 AromaticContact CD2-CZ2 3.8Å; F48-W65 HydrophobicContact CD2-CZ2 3.8Å; F48-W65 HydrophobicContact CD2-CZ3 4.33Å; F48-W65 AromaticContact CD2-NE1 3.85Å; F48-W65 AromaticContact CE2-CE2 3.86Å; F48-W65 AromaticContact CE2-CZ2 3.94Å; F48-W65 HydrophobicContact CE2-CZ2 3.94Å; F48-W65 AromaticContact CE2-NE1 3.87Å; W65-Y80 HydrophobicContact CD2-CD1 4.36Å; W65-Y80 AromaticContact CE3-CD1 3.59Å; W65-Y80 HydrophobicContact CE3-CD1 3.59Å; W65-Y80 AromaticContact CE3-CE1 3.9Å; W65-Y80 HydrophobicContact CE3-CE1 3.9Å; W65-Y80 AromaticContact CZ3-CD1 3.73Å; W65-Y80 HydrophobicContact CZ3-CD1 3.73Å; W65-Y80 AromaticContact CZ3-CE1 3.67Å; W65-Y80 HydrophobicContact CZ3-CE1 3.67Å
66D91.7Very high82.2Confident0 Ų054 Ų540%028%0.279CS..EExtended strand (participates in β ladder)trans-85.2117.2170.5177.344.6000109.8L16 K24 S25 L28 T43 V46 E47L16-D66 HydrophobicContact CD1-CB 4.22Å; K24-D66 WeakPolarHBondContact CB-OD1 3.44Å; S25-D66 WeakPolarHBondContact CA-OD2 3.38Å; S25-D66 VanDerWaalsContact CB-OD2 3.26Å; S25-D66 WeakPolarHBondContact CB-OD2 3.1Å; S25-D66 PolarHBondContact OG-OD2 3.44Å; L28-D66 HydrophobicContact CD2-CB 3.65Å; T43-D66 PolarHBondContact OG1-OD2 2.69Å; V46-D66 CarbonylContact C-O 3.32Å; V46-D66 VanDerWaalsContact CA-O 3.28Å; V46-D66 WeakPolarHBondContact CA-O 3.35Å; V46-D66 WeakPolarHBondContact CG1-O 3.21Å; E47-D66 HydrophobicContact CB-CB 4.24Å; E47-D66 PolarHBondContact N-O 2.81Å; E47-D66 PolarHBondContact O-N 3.5Å
67T85.6Confident81.3Confident0 Ų048.6 Ų48.60%025%0.25CS..EExtended strand (participates in β ladder)trans-99146.6-177.266.40000111.9L16 K24 V46 G69 T77L16-T67 PolarHBondContact O-N 3.41Å; L16-T67 PolarHBondContact O-OG1 3.08Å; K24-T67 WeakPolarHBondContact CE-O 3.18Å; V46-T67 HydrophobicContact CG2-CG2 4.5Å; T67-G69 PolarHBondContact O-N 2.86Å; T67-T77 HydrophobicContact CG2-CG2 3.72Å
68A80.6Confident80.5Confident1 Ų147 Ų471%0.00823%0.229CC..PPolyproline II helixtrans-59.4122.7170.900000110.7T43 G45 Q70 Y73T43-A68 WeakPolarHBondContact O-CB 3.48Å; G45-A68 WeakPolarHBondContact O-CB 3.39Å; G45-A68 PolarHBondContact O-N 2.91Å; A68-Q70 PolarHBondContact O-N 2.84Å; A68-Y73 HydrophobicContact CB-CD2 3.83Å; A68-Y73 HydrophobicContact CB-CG 4.39Å
69G71.4Confident79.8Confident9 Ų946.9 Ų46.99%0.09324%0.242CC..  trans-81.810.4176.600000114.4G18 S20 T67G18-G69 WeakPolarHBondContact O-CA 3.32Å; S20-G69 PolarHBondContact N-O 2.89Å; T67-G69 PolarHBondContact O-N 2.86Å
70Q70.4Confident79.3Confident47 Ų4748.5 Ų48.522%0.2225%0.245CC..  trans-89.9131.6176.6-74.6-170.220.300110.4A68 R72 Y73A68-Q70 PolarHBondContact O-N 2.84Å; Q70-R72 PolarHBondContact O-N 3.09Å; Q70-Y73 HydrophobicContact CB-CD2 3.96Å; Q70-Y73 HydrophobicContact CB-CE2 4.31Å; Q70-Y73 PolarHBondContact O-N 2.86Å
71E61.5Low78.9Confident126 Ų12648.5 Ų48.559%0.58925%0.245SC*.G310 helixtrans-60.1-24.7-17864.7-127.9153.900114.5Y73 R74E71-Y73 PolarHBondContact O-N 2.83Å; E71-R74 HydrophobicContact CB-CG 4.44Å; E71-R74 WeakPolarHBondContact O-CB 3.12Å; E71-R74 WeakPolarHBondContact O-CD 3.46Å; E71-R74 VanDerWaalsContact O-CG 3.23Å; E71-R74 WeakPolarHBondContact O-CG 3.34Å; E71-R74 PolarHBondContact O-N 2.82Å
72R61.5Low78.5Confident187 Ų18757 Ų5771%0.70628%0.276SS*.G310 helixtrans-62.3-21176.9-65.5-171.5-65.1173.7-0.3113.3Q70Q70-R72 PolarHBondContact O-N 3.09Å
73Y65.8Low78.1Confident70 Ų7058.8 Ų58.828%0.27529%0.294SS..G310 helixtrans-103.65.9-179.6-58.3-60.8000113.8A68 Q70 E71 A75 I76 T77A68-Y73 HydrophobicContact CB-CD2 3.83Å; A68-Y73 HydrophobicContact CB-CG 4.39Å; Q70-Y73 HydrophobicContact CB-CD2 3.96Å; Q70-Y73 HydrophobicContact CB-CE2 4.31Å; Q70-Y73 PolarHBondContact O-N 2.86Å; E71-Y73 PolarHBondContact O-N 2.83Å; Y73-A75 VanDerWaalsContact C-N 3.31Å; Y73-A75 PolarHBondContact O-N 3.13Å; Y73-I76 HydrophobicContact CD1-CD1 4.39Å; Y73-I76 WeakPolarHBondContact O-CA 3.32Å; Y73-I76 WeakPolarHBondContact O-CB 3.32Å; Y73-I76 PolarHBondContact O-N 2.96Å; Y73-T77 PolarHBondContact O-N 3.48Å; Y73-T77 VanDerWaalsContact O-N 3.13Å; Y73-T77 PolarHBondContact O-OG1 3.49Å; Y73-T77 VanDerWaalsContact O-OG1 3.09Å
74R63.2Low78.1Confident70 Ų7056.3 Ų56.326%0.26428%0.282SS..Hα-helixtrans-57.5-36.6-174.2-73.4173.995.1-157.712.4114.8E71 I76 T77 S78 E108E71-R74 HydrophobicContact CB-CG 4.44Å; E71-R74 WeakPolarHBondContact O-CB 3.12Å; E71-R74 WeakPolarHBondContact O-CD 3.46Å; E71-R74 VanDerWaalsContact O-CG 3.23Å; E71-R74 WeakPolarHBondContact O-CG 3.34Å; E71-R74 PolarHBondContact O-N 2.82Å; R74-I76 PolarHBondContact O-N 3.35Å; R74-T77 PolarHBondContact O-N 3.17Å; R74-S78 PolarHBondContact O-N 3.1Å; R74-E108 IonicContact CZ-OE2 3.05Å; R74-E108 IonicContact NE-OE2 2.79Å; R74-E108 PolarHBondContact NE-OE2 3.1Å; R74-E108 IonicContact NH2-OE2 3.39Å; R74-E108 PolarHBondContact NH2-OE2 2.84Å
75A62.5Low78.1Confident94 Ų9458.6 Ų58.678%0.77730%0.296SS*.Hα-helixtrans-63.2-24.617700000112.8Y73Y73-A75 VanDerWaalsContact C-N 3.31Å; Y73-A75 PolarHBondContact O-N 3.13Å
76I67.6Low78.2Confident94 Ų9455.8 Ų55.848%0.48229%0.286SS..Hα-helixtrans-87.4-36.2177.4-61.7169.8000109.9Y73 R74 S78 Y80Y73-I76 HydrophobicContact CD1-CD1 4.39Å; Y73-I76 WeakPolarHBondContact O-CA 3.32Å; Y73-I76 WeakPolarHBondContact O-CB 3.32Å; Y73-I76 PolarHBondContact O-N 2.96Å; R74-I76 PolarHBondContact O-N 3.35Å; I76-S78 PolarHBondContact O-N 2.59Å; I76-Y80 HydrophobicContact CG2-CE2 3.91Å; I76-Y80 VanDerWaalsContact O-CD2 3.25Å; I76-Y80 WeakPolarHBondContact O-CD2 3.48Å; I76-Y80 WeakPolarHBondContact O-CE2 3.41Å
77T70.8Confident78.5Confident3 Ų355.8 Ų55.82%0.01829%0.286CS..Hα-helixtrans-65.1-34.8-175.6-43.40000113.9T67 Y73 R74 A79 Y80 Y81T67-T77 HydrophobicContact CG2-CG2 3.72Å; Y73-T77 PolarHBondContact O-N 3.48Å; Y73-T77 VanDerWaalsContact O-N 3.13Å; Y73-T77 PolarHBondContact O-OG1 3.49Å; Y73-T77 VanDerWaalsContact O-OG1 3.09Å; R74-T77 PolarHBondContact O-N 3.17Å; T77-A79 PolarHBondContact O-N 3.02Å; T77-Y80 WeakPolarHBondContact O-CB 3.38Å; T77-Y80 PolarHBondContact O-N 3.39Å; T77-Y81 HydrophobicContact CG2-CE1 3.78Å; T77-Y81 VanDerWaalsContact CG2-OH 3.29Å; T77-Y81 WeakPolarHBondContact CG2-OH 3.21Å
78S73.6Confident79.1Confident34 Ų3455.9 Ų55.924%0.23829%0.286CS..Hα-helixtrans-59.9-32-177.161.30000113.7R74 I76 Y80 Y81R74-S78 PolarHBondContact O-N 3.1Å; I76-S78 PolarHBondContact O-N 2.59Å; S78-Y80 PolarHBondContact O-N 3.2Å; S78-Y81 PolarHBondContact O-N 2.87Å
79A80.1Confident79.9Confident72 Ų7255.9 Ų55.960%0.59529%0.286SS*.Hα-helixtrans-62.8-27.1176.100000112.7T77T77-A79 PolarHBondContact O-N 3.02Å
80Y84Confident81.1Confident68 Ų6855.5 Ų55.527%0.26728%0.282SS..Hα-helixtrans-81.4-18.8-177.9-65-87.7000113.2K13 V46 W65 I76 T77 S78 R82K13-Y80 WeakPolarHBondContact CE-O 3.4Å; K13-Y80 PolarHBondContact NZ-O 3.26Å; V46-Y80 HydrophobicContact CB-CD1 4.42Å; V46-Y80 HydrophobicContact CB-CE1 3.97Å; V46-Y80 HydrophobicContact CB-CE2 4.43Å; V46-Y80 HydrophobicContact CG1-CD1 4Å; V46-Y80 HydrophobicContact CG1-CE1 3.94Å; V46-Y80 HydrophobicContact CG2-CD1 4.11Å; V46-Y80 HydrophobicContact CG2-CD2 3.75Å; V46-Y80 HydrophobicContact CG2-CE1 3.84Å; V46-Y80 HydrophobicContact CG2-CE2 3.47Å; V46-Y80 VanDerWaalsContact CG2-CE2 3.47Å; V46-Y80 HydrophobicContact CG2-CG 4.05Å; V46-Y80 VanDerWaalsContact CG2-CZ 3.5Å; W65-Y80 HydrophobicContact CD2-CD1 4.36Å; W65-Y80 AromaticContact CE3-CD1 3.59Å; W65-Y80 HydrophobicContact CE3-CD1 3.59Å; W65-Y80 AromaticContact CE3-CE1 3.9Å; W65-Y80 HydrophobicContact CE3-CE1 3.9Å; W65-Y80 AromaticContact CZ3-CD1 3.73Å; W65-Y80 HydrophobicContact CZ3-CD1 3.73Å; W65-Y80 AromaticContact CZ3-CE1 3.67Å; W65-Y80 HydrophobicContact CZ3-CE1 3.67Å; I76-Y80 HydrophobicContact CG2-CE2 3.91Å; I76-Y80 VanDerWaalsContact O-CD2 3.25Å; I76-Y80 WeakPolarHBondContact O-CD2 3.48Å; I76-Y80 WeakPolarHBondContact O-CE2 3.41Å; T77-Y80 WeakPolarHBondContact O-CB 3.38Å; T77-Y80 PolarHBondContact O-N 3.39Å; S78-Y80 PolarHBondContact O-N 3.2Å; Y80-R82 VanDerWaalsContact C-N 3.3Å; Y80-R82 PolarHBondContact O-N 3.26Å
81Y87.9Confident82.5Confident0 Ų053.2 Ų53.20%027%0.271CS..Hα-helixtrans-72.6-24177.1-55-30.2000112.9V15 I17 T77 S78 G83 A84 E108 L109 H112V15-Y81 HydrophobicContact CG2-CD1 4.21Å; I17-Y81 HydrophobicContact CG2-CD1 4.44Å; I17-Y81 HydrophobicContact CG2-CE1 3.49Å; I17-Y81 VanDerWaalsContact CG2-CE1 3.49Å; T77-Y81 HydrophobicContact CG2-CE1 3.78Å; T77-Y81 VanDerWaalsContact CG2-OH 3.29Å; T77-Y81 WeakPolarHBondContact CG2-OH 3.21Å; S78-Y81 PolarHBondContact O-N 2.87Å; Y81-G83 PolarHBondContact O-N 2.88Å; Y81-A84 VanDerWaalsContact O-CB 3.22Å; Y81-A84 WeakPolarHBondContact O-CB 3.33Å; Y81-A84 PolarHBondContact O-N 3.35Å; Y81-E108 HydrophobicContact CE2-CG 4.07Å; Y81-E108 WeakPolarHBondContact CE2-OE1 3.2Å; Y81-E108 PolarHBondContact OH-OE1 3.41Å; Y81-L109 HydrophobicContact CD1-CD1 4.12Å; Y81-L109 HydrophobicContact CG-CD1 4.17Å; Y81-H112 HydrophobicContact CD2-CB 3.77Å
82R87.3Confident84.2Confident212 Ų21247.3 Ų47.380%0.824%0.244SC*.THydrogen-bonded Turntrans-60.6126.3-179.1-170.4178.5-179.5115.60.7111.4K13 Y80 A84K13-R82 PolarHBondContact NZ-O 3.37Å; Y80-R82 VanDerWaalsContact C-N 3.3Å; Y80-R82 PolarHBondContact O-N 3.26Å; R82-A84 PolarHBondContact O-N 3.39Å
83G89.8Confident86Confident37 Ų3738.4 Ų38.438%0.38121%0.21SC..THydrogen-bonded Turntrans70.310.9-178.500000114.3Y81Y81-G83 PolarHBondContact O-N 2.88Å
84A94.4Very high87.5Confident0 Ų036.2 Ų36.20%021%0.206CC..  trans-71.8127.1167.800000109.1K13 V15 Y81 R82 I117K13-A84 HydrophobicContact CG-CB 4.34Å; V15-A84 HydrophobicContact CG1-CB 3.85Å; V15-A84 HydrophobicContact CG2-CB 4.21Å; Y81-A84 VanDerWaalsContact O-CB 3.22Å; Y81-A84 WeakPolarHBondContact O-CB 3.33Å; Y81-A84 PolarHBondContact O-N 3.35Å; R82-A84 PolarHBondContact O-N 3.39Å; A84-I117 HydrophobicContact CB-CD1 3.96Å
85V95.9Very high89.1Confident48 Ų4838.3 Ų38.329%0.29122%0.217SC..SBendtrans-95.8-15177.7-65.30000111.9F12 K13 V118 I172F12-V85 HydrophobicContact CB-CG2 3.77Å; F12-V85 HydrophobicContact CD1-CG2 4.05Å; F12-V85 HydrophobicContact CG-CG2 4.09Å; K13-V85 WeakPolarHBondContact O-CG2 3.28Å; K13-V85 PolarHBondContact O-N 3.04Å; V85-V118 PolarHBondContact O-N 2.97Å; V85-I172 HydrophobicContact CB-CG2 4.08Å; V85-I172 HydrophobicContact CG2-CD1 4.22Å; V85-I172 HydrophobicContact CG2-CG2 3.83Å
86G96.9Very high90.8Very high0 Ų037 Ų370%020%0.195CC..EExtended strand (participates in β ladder)trans-145.8161.1168.500000114.4K13 V14 V15 V118K13-G86 PolarHBondContact O-N 3.4Å; V14-G86 VanDerWaalsContact CA-O 3.28Å; V14-G86 WeakPolarHBondContact CA-O 3.39Å; V15-G86 PolarHBondContact N-O 2.96Å; G86-V118 CarbonylContact C-O 3.5Å; G86-V118 WeakPolarHBondContact CA-O 3.34Å
87A97.1Very high92.2Very high0 Ų037.8 Ų37.80%020%0.2CC..EExtended strand (participates in β ladder)trans-139.5135.7175.200000111.6V15 L109 I117 V118 I119 M120 I168V15-A87 HydrophobicContact CG2-CB 3.69Å; V15-A87 CarbonylContact O-C 3.55Å; V15-A87 VanDerWaalsContact O-CA 3.31Å; V15-A87 WeakPolarHBondContact O-CA 3.37Å; A87-L109 HydrophobicContact CB-CD1 4.1Å; A87-L109 HydrophobicContact CB-CD2 3.38Å; A87-L109 HydrophobicContact CB-CG 4.38Å; A87-I117 HydrophobicContact CB-CD1 3.95Å; A87-I117 HydrophobicContact CB-CG1 4.5Å; A87-V118 PolarHBondContact N-O 2.84Å; A87-I119 WeakPolarHBondContact O-CA 3.24Å; A87-M120 PolarHBondContact O-N 3.37Å; A87-I168 WeakPolarHBondContact O-CD1 3.29Å
88L97.9Very high93.4Very high2 Ų238.2 Ų38.21%0.0120%0.202CC..EExtended strand (participates in β ladder)trans-98.8113.6165.3-68.3166.2000108.2V15 L16 I17 V90 M120 V122 F165 I168V15-L88 PolarHBondContact O-N 3.29Å; L16-L88 HydrophobicContact CD2-CB 3.69Å; L16-L88 HydrophobicContact CD2-CD1 3.48Å; L16-L88 VanDerWaalsContact CD2-CD1 3.48Å; L16-L88 HydrophobicContact CD2-CG 4.1Å; I17-L88 PolarHBondContact N-O 3.07Å; L88-V90 HydrophobicContact CB-CG2 4.34Å; L88-M120 WeakPolarHBondContact CA-O 3.28Å; L88-M120 HydrophobicContact CD2-CB 3.81Å; L88-M120 HydrophobicContact CD2-CG 3.95Å; L88-M120 HydrophobicContact CD2-SD 3.68Å; L88-V122 HydrophobicContact CB-CG2 4.21Å; L88-V122 HydrophobicContact CD2-CG2 3.53Å; L88-V122 HydrophobicContact CG-CG2 4.41Å; L88-F165 HydrophobicContact CD1-CD1 3.73Å; L88-F165 HydrophobicContact CD1-CE1 3.32Å; L88-F165 HydrophobicContact CD1-CE2 4.18Å; L88-F165 HydrophobicContact CD1-CG 4.31Å; L88-F165 HydrophobicContact CD1-CZ 3.58Å; L88-I168 HydrophobicContact CD2-CD1 4.1Å; L88-I168 HydrophobicContact CD2-CG2 4.37Å; L88-I168 HydrophobicContact CG-CD1 4.19Å
89L97.5Very high94.6Very high0 Ų037.5 Ų37.50%019%0.194CC..EExtended strand (participates in β ladder)trans-95.1103.2177.9177.252.7000109I17 V102 W105 L106 I119 M120 L121 V122I17-L89 HydrophobicContact CD1-CB 4.37Å; I17-L89 HydrophobicContact CD1-CD1 3.82Å; I17-L89 HydrophobicContact CG1-CB 4.18Å; I17-L89 HydrophobicContact CG1-CD1 3.74Å; L89-V102 HydrophobicContact CD2-CG1 3.52Å; L89-V102 HydrophobicContact CG-CG1 3.96Å; L89-W105 HydrophobicContact CD1-CB 3.45Å; L89-W105 VanDerWaalsContact CD1-CB 3.45Å; L89-W105 HydrophobicContact CD1-CG 4.18Å; L89-L106 HydrophobicContact CD2-CB 3.92Å; L89-L106 HydrophobicContact CD2-CD1 4.37Å; L89-I119 HydrophobicContact CB-CG2 4.38Å; L89-M120 PolarHBondContact N-O 2.56Å; L89-L121 HydrophobicContact CD2-CD1 4.43Å; L89-L121 HydrophobicContact CG-CD1 4.13Å; L89-L121 CarbonylContact O-C 3.44Å; L89-L121 WeakPolarHBondContact O-CA 3.22Å; L89-V122 PolarHBondContact O-N 3.22Å
90V98.3Very high95.4Very high1 Ų139.3 Ų39.31%0.00619%0.191CC..EExtended strand (participates in β ladder)trans-104131.7-166.3-168.10000111.2I17 G18 V22 K24 L27 L88 V122 N124I17-V90 PolarHBondContact O-N 3.41Å; G18-V90 WeakPolarHBondContact CA-O 3.34Å; V22-V90 HydrophobicContact CB-CG1 4.29Å; V22-V90 HydrophobicContact CG2-CB 3.93Å; V22-V90 HydrophobicContact CG2-CG1 3.82Å; K24-V90 HydrophobicContact CG-CB 4.06Å; K24-V90 HydrophobicContact CG-CG2 4.08Å; L27-V90 HydrophobicContact CD1-CG1 3.81Å; L27-V90 HydrophobicContact CD1-CG2 4.08Å; L88-V90 HydrophobicContact CB-CG2 4.34Å; V90-V122 WeakPolarHBondContact CA-O 3.33Å; V90-V122 HydrophobicContact CG1-CB 4.42Å; V90-V122 HydrophobicContact CG1-CG1 4.41Å; V90-V122 HydrophobicContact CG2-CB 4.21Å; V90-N124 HydrophobicContact CG1-CB 3.79Å
91Y98.6Very high96Very high0 Ų037.8 Ų37.80%019%0.187CC..EExtended strand (participates in β ladder)trans-125.9167.3167.974.3-85.4000110.9I93 Y99 V102 L121 V122 N124 V134 A139 F150Y91-I93 HydrophobicContact CE2-CB 4.46Å; Y91-I93 HydrophobicContact CE2-CG2 3.84Å; Y91-Y99 HydrophobicContact CD1-CD2 4.21Å; Y91-Y99 HydrophobicContact CD2-CD2 4.09Å; Y91-Y99 HydrophobicContact CD2-CG 4.39Å; Y91-Y99 HydrophobicContact CE1-CD2 4.18Å; Y91-Y99 HydrophobicContact CE2-CD2 4.07Å; Y91-Y99 HydrophobicContact CG-CD2 4.16Å; Y91-V102 HydrophobicContact CD1-CG2 4.26Å; Y91-V102 HydrophobicContact CG-CG2 4.31Å; Y91-L121 HydrophobicContact CD1-CD1 3.78Å; Y91-L121 HydrophobicContact CD1-CG 4.2Å; Y91-L121 HydrophobicContact CE1-CD1 4Å; Y91-L121 HydrophobicContact CE1-CD2 4.15Å; Y91-L121 HydrophobicContact CE1-CG 3.91Å; Y91-V122 WeakPolarHBondContact CD1-O 3.47Å; Y91-V122 PolarHBondContact N-O 3.16Å; Y91-N124 PolarHBondContact O-N 2.92Å; Y91-V134 HydrophobicContact CD2-CG2 4.34Å; Y91-V134 HydrophobicContact CE2-CB 3.92Å; Y91-V134 HydrophobicContact CE2-CG1 3.81Å; Y91-V134 HydrophobicContact CE2-CG2 4.06Å; Y91-A139 HydrophobicContact CE1-CB 4.28Å; Y91-A139 WeakPolarHBondContact OH-CB 3.4Å; Y91-F150 HydrophobicContact CE1-CE2 4.26Å
92D98.1Very high96.4Very high2 Ų237.8 Ų37.81%0.01119%0.187CC..EExtended strand (participates in β ladder)trans-100.6118.1176.6178.7-11.3000109.3V22 A94 K95 T98 K125V22-D92 HydrophobicContact CB-CB 4.38Å; V22-D92 HydrophobicContact CG1-CB 4.25Å; D92-A94 PolarHBondContact O-N 2.63Å; D92-A94 VanDerWaalsContact O-N 3.1Å; D92-A94 WeakPolarHBondContact OD1-CB 3.3Å; D92-A94 PolarHBondContact OD1-N 2.78Å; D92-K95 HydrophobicContact CB-CB 4.12Å; D92-K95 HydrophobicContact CB-CG 4.46Å; D92-K95 CarbonylContact O-C 3.6Å; D92-K95 PolarHBondContact O-N 2.84Å; D92-K95 WeakPolarHBondContact OD2-CD 3.48Å; D92-T98 HydrophobicContact CB-CG2 4.36Å; D92-T98 PolarHBondContact N-OG1 2.93Å; D92-T98 PolarHBondContact O-OG1 3.19Å; D92-K125 WeakPolarHBondContact OD2-CD 3.42Å; D92-K125 VanDerWaalsContact OD2-CE 3.3Å; D92-K125 WeakPolarHBondContact OD2-CE 3.44Å; D92-K125 IonicContact OD2-NZ 3.14Å; D92-K125 PolarHBondContact OD2-NZ 2.66Å
93I98.4Very high96.8Very high0 Ų034.2 Ų34.20%018%0.179CC..THydrogen-bonded Turntrans-62.7-20.6-177.666.1149.8000113.3Y91 N124 K125 A133 V134Y91-I93 HydrophobicContact CE2-CB 4.46Å; Y91-I93 HydrophobicContact CE2-CG2 3.84Å; I93-N124 WeakPolarHBondContact CG1-O 3.09Å; I93-N124 PolarHBondContact N-O 3.4Å; I93-K125 WeakPolarHBondContact CD1-O 3.4Å; I93-K125 WeakPolarHBondContact CG1-O 3.34Å; I93-A133 PolarHBondContact O-N 2.87Å; I93-V134 PolarHBondContact O-N 3.14Å; I93-V134 VanDerWaalsContact O-N 3.09Å
94A97.9Very high96.9Very high23 Ų2337 Ų3719%0.1918%0.179CC..THydrogen-bonded Turntrans-91.4-1.8178.600000112.9D92 L128 L131D92-A94 PolarHBondContact O-N 2.63Å; D92-A94 VanDerWaalsContact O-N 3.1Å; D92-A94 WeakPolarHBondContact OD1-CB 3.3Å; D92-A94 PolarHBondContact OD1-N 2.78Å; A94-L128 HydrophobicContact CB-CB 4.21Å; A94-L128 HydrophobicContact CB-CD1 4.11Å; A94-L131 WeakPolarHBondContact CA-O 3.4Å; A94-L131 HydrophobicContact CB-CB 4.06Å; A94-L131 WeakPolarHBondContact CB-O 3.44Å
95K97.3Very high96.9Very high115 Ų11537.4 Ų37.450%0.518%0.18SC..  trans-133.797.3-178.6-63.5-175.3-177.8-176.10112D92 L97 T98D92-K95 HydrophobicContact CB-CB 4.12Å; D92-K95 HydrophobicContact CB-CG 4.46Å; D92-K95 CarbonylContact O-C 3.6Å; D92-K95 PolarHBondContact O-N 2.84Å; D92-K95 WeakPolarHBondContact OD2-CD 3.48Å; K95-L97 VanDerWaalsContact C-N 3.3Å; K95-L97 PolarHBondContact O-N 2.97Å; K95-T98 HydrophobicContact CB-CG2 3.9Å; K95-T98 PolarHBondContact O-N 3.28Å; K95-T98 PolarHBondContact O-OG1 3.28Å
96H96.9Very high96.8Very high67 Ų6735.3 Ų35.331%0.3117%0.167SC..Hα-helixtrans-53.5-40.5-177.3-164.4-91.9000114.2T98 Y99 E100 A133H96-T98 PolarHBondContact O-N 2.79Å; H96-T98 VanDerWaalsContact O-N 3.14Å; H96-Y99 WeakPolarHBondContact O-CA 3.46Å; H96-Y99 WeakPolarHBondContact O-CB 3.48Å; H96-Y99 PolarHBondContact O-N 2.98Å; H96-E100 IonicContact CE1-OE1 2.84Å; H96-E100 PolarHBondContact CE1-OE1 3.04Å; H96-E100 IonicContact ND1-OE1 2.64Å; H96-E100 PolarHBondContact ND1-OE1 3.28Å; H96-E100 PolarHBondContact O-N 3.18Å; H96-A133 HydrophobicContact CB-CB 4.16Å
97L96.5Very high96.7Very high110 Ų11041.8 Ų41.858%0.57620%0.195SC*.Hα-helixtrans-55.4-35.5178.4-179.461.7000112.9K95 Y99 E100 N101K95-L97 VanDerWaalsContact C-N 3.3Å; K95-L97 PolarHBondContact O-N 2.97Å; L97-Y99 PolarHBondContact O-N 3.47Å; L97-E100 PolarHBondContact O-N 3.12Å; L97-N101 PolarHBondContact O-N 3.11Å; L97-N101 VanDerWaalsContact O-N 3.09Å; L97-N101 PolarHBondContact O-ND2 3.06Å
98T97.3Very high96.3Very high11 Ų1142.5 Ų42.57%0.06720%0.198CC..Hα-helixtrans-70.1-26.617970.40000112.2D19 V22 D92 K95 H96D19-T98 HydrophobicContact CB-CG2 4.06Å; V22-T98 HydrophobicContact CG1-CG2 3.81Å; D92-T98 HydrophobicContact CB-CG2 4.36Å; D92-T98 PolarHBondContact N-OG1 2.93Å; D92-T98 PolarHBondContact O-OG1 3.19Å; K95-T98 HydrophobicContact CB-CG2 3.9Å; K95-T98 PolarHBondContact O-N 3.28Å; K95-T98 PolarHBondContact O-OG1 3.28Å; H96-T98 PolarHBondContact O-N 2.79Å; H96-T98 VanDerWaalsContact O-N 3.14Å
99Y98.1Very high96Very high20 Ų2042.4 Ų42.48%0.07820%0.198CC..Hα-helixtrans-79-41.7173.9173.8-105.3000111.6Y91 H96 L97 N101 V102 V134 E138 A139 F142Y91-Y99 HydrophobicContact CD1-CD2 4.21Å; Y91-Y99 HydrophobicContact CD2-CD2 4.09Å; Y91-Y99 HydrophobicContact CD2-CG 4.39Å; Y91-Y99 HydrophobicContact CE1-CD2 4.18Å; Y91-Y99 HydrophobicContact CE2-CD2 4.07Å; Y91-Y99 HydrophobicContact CG-CD2 4.16Å; H96-Y99 WeakPolarHBondContact O-CA 3.46Å; H96-Y99 WeakPolarHBondContact O-CB 3.48Å; H96-Y99 PolarHBondContact O-N 2.98Å; L97-Y99 PolarHBondContact O-N 3.47Å; Y99-N101 PolarHBondContact O-N 3.47Å; Y99-V102 HydrophobicContact CD2-CG2 4.29Å; Y99-V102 WeakPolarHBondContact O-CB 3.28Å; Y99-V102 VanDerWaalsContact O-CG2 3.26Å; Y99-V102 WeakPolarHBondContact O-CG2 3.37Å; Y99-V102 PolarHBondContact O-N 3.22Å; Y99-V134 HydrophobicContact CD1-CG1 3.95Å; Y99-V134 HydrophobicContact CD1-CG2 4.3Å; Y99-V134 HydrophobicContact CD2-CG1 3.92Å; Y99-V134 HydrophobicContact CE1-CG1 4.24Å; Y99-V134 HydrophobicContact CE2-CG1 4.21Å; Y99-V134 HydrophobicContact CG-CG1 3.78Å; Y99-V134 HydrophobicContact CG-CG2 3.99Å; Y99-E138 HydrophobicContact CE1-CG 4.26Å; Y99-E138 VanDerWaalsContact CE1-OE1 3.31Å; Y99-E138 WeakPolarHBondContact CE1-OE1 3.45Å; Y99-E138 PolarHBondContact OH-O 3.34Å; Y99-A139 HydrophobicContact CE2-CB 3.9Å; Y99-F142 VanDerWaalsContact OH-CB 3.24Å; Y99-F142 WeakPolarHBondContact OH-CB 3.27Å
100E96.9Very high95.7Very high110 Ų11047.7 Ų47.751%0.51422%0.218SC..Hα-helixtrans-56.6-39.1172.3-70.1175.5-177.300111.9H96 L97 V102H96-E100 IonicContact CE1-OE1 2.84Å; H96-E100 PolarHBondContact CE1-OE1 3.04Å; H96-E100 IonicContact ND1-OE1 2.64Å; H96-E100 PolarHBondContact ND1-OE1 3.28Å; H96-E100 PolarHBondContact O-N 3.18Å; L97-E100 PolarHBondContact O-N 3.12Å; E100-V102 PolarHBondContact O-N 3.19Å
101N95.9Very high95.4Very high35 Ų3552.7 Ų52.719%0.18725%0.245CC..THydrogen-bonded Turntrans-70.6-11.8177.9-73.4-32000114.1D19 L97 Y99 E103 R104 W105D19-N101 WeakPolarHBondContact OD1-CB 3.3Å; D19-N101 PolarHBondContact OD2-ND2 2.68Å; L97-N101 PolarHBondContact O-N 3.11Å; L97-N101 VanDerWaalsContact O-N 3.09Å; L97-N101 PolarHBondContact O-ND2 3.06Å; Y99-N101 PolarHBondContact O-N 3.47Å; N101-E103 VanDerWaalsContact C-N 3.27Å; N101-E103 PolarHBondContact O-N 3.46Å; N101-R104 WeakPolarHBondContact O-CB 3.19Å; N101-R104 PolarHBondContact O-N 2.97Å; N101-R104 VanDerWaalsContact O-N 3.17Å; N101-W105 PolarHBondContact O-N 3.14Å; N101-W105 VanDerWaalsContact O-N 3.07Å
102V96.6Very high94.8Very high1 Ų157.1 Ų57.11%0.00627%0.265CS..Hα-helixtrans-56.4-41.4177.6168.70000111.1L89 Y91 Y99 E100 R104 W105 L106 L121 F142L89-V102 HydrophobicContact CD2-CG1 3.52Å; L89-V102 HydrophobicContact CG-CG1 3.96Å; Y91-V102 HydrophobicContact CD1-CG2 4.26Å; Y91-V102 HydrophobicContact CG-CG2 4.31Å; Y99-V102 HydrophobicContact CD2-CG2 4.29Å; Y99-V102 WeakPolarHBondContact O-CB 3.28Å; Y99-V102 VanDerWaalsContact O-CG2 3.26Å; Y99-V102 WeakPolarHBondContact O-CG2 3.37Å; Y99-V102 PolarHBondContact O-N 3.22Å; E100-V102 PolarHBondContact O-N 3.19Å; V102-R104 VanDerWaalsContact C-N 3.31Å; V102-R104 PolarHBondContact O-N 2.92Å; V102-W105 PolarHBondContact O-N 2.84Å; V102-L106 WeakPolarHBondContact O-CB 3.47Å; V102-L106 PolarHBondContact O-N 2.97Å; V102-L121 HydrophobicContact CG1-CD1 3.59Å; V102-L121 HydrophobicContact CG2-CD1 4.1Å; V102-F142 HydrophobicContact CG1-CD1 4.33Å; V102-F142 HydrophobicContact CG1-CE1 3.5Å; V102-F142 VanDerWaalsContact CG1-CE1 3.5Å; V102-F142 HydrophobicContact CG1-CZ 3.82Å
103E95.6Very high94.4Very high136 Ų13657.6 Ų57.664%0.63627%0.269SS*.Hα-helixtrans-61.9-40.9-179.6-174.1170.5-164.300111.7N101 L106 K107 F142N101-E103 VanDerWaalsContact C-N 3.27Å; N101-E103 PolarHBondContact O-N 3.46Å; E103-L106 PolarHBondContact O-N 3.42Å; E103-K107 WeakPolarHBondContact O-CB 3.34Å; E103-K107 PolarHBondContact O-N 2.91Å; E103-F142 HydrophobicContact CB-CE2 4.46Å; E103-F142 HydrophobicContact CB-CZ 4.48Å
104R93.4Very high93.9Very high97 Ų9762 Ų6237%0.36629%0.293SS..Hα-helixtrans-64.2-44.3175.5174-176.1171.4-170.7-0.4111.7N101 V102 K107 E108N101-R104 WeakPolarHBondContact O-CB 3.19Å; N101-R104 PolarHBondContact O-N 2.97Å; N101-R104 VanDerWaalsContact O-N 3.17Å; V102-R104 VanDerWaalsContact C-N 3.31Å; V102-R104 PolarHBondContact O-N 2.92Å; R104-K107 PolarHBondContact O-N 2.82Å; R104-E108 WeakPolarHBondContact O-CB 3.31Å; R104-E108 PolarHBondContact O-N 3.34Å
105W93.7Very high93.3Very high7 Ų768.4 Ų68.43%0.02732%0.324CS..Hα-helixtrans-66.2-40.2177.2-75.8112.8000112.3I17 G18 D19 L89 N101 V102 K107 E108 L109I17-W105 HydrophobicContact CB-CE3 4.37Å; I17-W105 HydrophobicContact CD1-CB 4.43Å; G18-W105 WeakPolarHBondContact O-CZ2 3.29Å; D19-W105 PolarHBondContact OD1-NE1 2.75Å; L89-W105 HydrophobicContact CD1-CB 3.45Å; L89-W105 VanDerWaalsContact CD1-CB 3.45Å; L89-W105 HydrophobicContact CD1-CG 4.18Å; N101-W105 PolarHBondContact O-N 3.14Å; N101-W105 VanDerWaalsContact O-N 3.07Å; V102-W105 PolarHBondContact O-N 2.84Å; W105-K107 VanDerWaalsContact C-N 3.35Å; W105-E108 PolarHBondContact O-N 2.73Å; W105-L109 WeakPolarHBondContact O-CB 3.32Å; W105-L109 PolarHBondContact O-N 2.76Å
106L94.7Very high92.8Very high4 Ų467.5 Ų67.52%0.02132%0.324CS..Hα-helixtrans-61.6-44.8176.5179.361.4000111.2L89 V102 E103 L109 R110 I119 F142 N146 L148L89-L106 HydrophobicContact CD2-CB 3.92Å; L89-L106 HydrophobicContact CD2-CD1 4.37Å; V102-L106 WeakPolarHBondContact O-CB 3.47Å; V102-L106 PolarHBondContact O-N 2.97Å; E103-L106 PolarHBondContact O-N 3.42Å; L106-L109 PolarHBondContact O-N 2.98Å; L106-R110 WeakPolarHBondContact O-CG 3.12Å; L106-R110 PolarHBondContact O-N 3.34Å; L106-I119 HydrophobicContact CD1-CD1 3.73Å; L106-I119 HydrophobicContact CD1-CG2 4.36Å; L106-F142 HydrophobicContact CD2-CE1 4.43Å; L106-F142 HydrophobicContact CD2-CZ 4.22Å; L106-N146 HydrophobicContact CD2-CB 3.97Å; L106-L148 HydrophobicContact CD1-CD1 4.4Å; L106-L148 HydrophobicContact CD1-CD2 3.94Å; L106-L148 HydrophobicContact CD2-CD1 4.19Å
107K93.3Very high92.7Very high136 Ų13665.2 Ų65.259%0.59132%0.315SS*.Hα-helixtrans-60.5-49.7175.1-176.7178178.4179.70111.3E103 R104 W105 L109 R110 D111E103-K107 WeakPolarHBondContact O-CB 3.34Å; E103-K107 PolarHBondContact O-N 2.91Å; R104-K107 PolarHBondContact O-N 2.82Å; W105-K107 VanDerWaalsContact C-N 3.35Å; K107-L109 VanDerWaalsContact C-N 3.29Å; K107-L109 PolarHBondContact O-N 2.91Å; K107-R110 PolarHBondContact O-N 3.23Å; K107-D111 WeakPolarHBondContact O-CB 3.36Å; K107-D111 PolarHBondContact O-N 2.7Å
108E89.9Confident92.7Very high15 Ų1560.5 Ų60.57%0.0729%0.29CS..Hα-helixtrans-58.1-41.9179.3-173.4-172.5137.900112.2R74 Y81 R104 W105 D111 H112R74-E108 IonicContact CZ-OE2 3.05Å; R74-E108 IonicContact NE-OE2 2.79Å; R74-E108 PolarHBondContact NE-OE2 3.1Å; R74-E108 IonicContact NH2-OE2 3.39Å; R74-E108 PolarHBondContact NH2-OE2 2.84Å; Y81-E108 HydrophobicContact CE2-CG 4.07Å; Y81-E108 WeakPolarHBondContact CE2-OE1 3.2Å; Y81-E108 PolarHBondContact OH-OE1 3.41Å; R104-E108 WeakPolarHBondContact O-CB 3.31Å; R104-E108 PolarHBondContact O-N 3.34Å; W105-E108 PolarHBondContact O-N 2.73Å; E108-D111 PolarHBondContact O-N 2.86Å; E108-H112 PolarHBondContact O-N 2.85Å; E108-H112 PolarHBondContact O-ND1 3.39Å
109L91.4Very high92.7Very high0 Ų060.6 Ų60.60%029%0.29CS..Hα-helixtrans-62.5-48.6176.3-177.968.6000111.1V15 I17 Y81 A87 W105 L106 K107 D111 H112 A113 I117 I119V15-L109 HydrophobicContact CG2-CD1 4.26Å; I17-L109 HydrophobicContact CD1-CB 3.89Å; I17-L109 HydrophobicContact CD1-CD1 4.23Å; I17-L109 HydrophobicContact CD1-CD2 3.83Å; I17-L109 HydrophobicContact CD1-CG 4.2Å; Y81-L109 HydrophobicContact CD1-CD1 4.12Å; Y81-L109 HydrophobicContact CG-CD1 4.17Å; A87-L109 HydrophobicContact CB-CD1 4.1Å; A87-L109 HydrophobicContact CB-CD2 3.38Å; A87-L109 HydrophobicContact CB-CG 4.38Å; W105-L109 WeakPolarHBondContact O-CB 3.32Å; W105-L109 PolarHBondContact O-N 2.76Å; L106-L109 PolarHBondContact O-N 2.98Å; K107-L109 VanDerWaalsContact C-N 3.29Å; K107-L109 PolarHBondContact O-N 2.91Å; L109-D111 VanDerWaalsContact C-N 3.27Å; L109-D111 PolarHBondContact O-N 3.21Å; L109-H112 PolarHBondContact O-N 3.33Å; L109-A113 HydrophobicContact CD1-CB 3.96Å; L109-A113 HydrophobicContact CG-CB 4.27Å; L109-A113 WeakPolarHBondContact O-CB 3.18Å; L109-A113 PolarHBondContact O-N 2.95Å; L109-I117 HydrophobicContact CD1-CD1 3.93Å; L109-I117 HydrophobicContact CD2-CD1 4.31Å; L109-I117 HydrophobicContact CG-CD1 4.33Å; L109-I119 HydrophobicContact CD2-CD1 3.73Å; L109-I119 HydrophobicContact CD2-CG1 3.83Å; L109-I119 HydrophobicContact CD2-CG2 4.28Å
110R91.7Very high92.7Very high112 Ų11259.9 Ų59.942%0.42329%0.287SS..Hα-helixtrans-64.1-30.7179.4-74.7178.2172166.60.1113.1L106 K107 H112 N146L106-R110 WeakPolarHBondContact O-CG 3.12Å; L106-R110 PolarHBondContact O-N 3.34Å; K107-R110 PolarHBondContact O-N 3.23Å; R110-H112 VanDerWaalsContact C-N 3.29Å; R110-H112 PolarHBondContact O-N 2.99Å; R110-N146 PolarHBondContact NH2-O 2.84Å
111D90.3Very high92.8Very high105 Ų10554.6 Ų54.656%0.56126%0.263SS*.Hα-helixtrans-72.3-20.3179-70.3-16.9000113.1K107 E108 L109K107-D111 WeakPolarHBondContact O-CB 3.36Å; K107-D111 PolarHBondContact O-N 2.7Å; E108-D111 PolarHBondContact O-N 2.86Å; L109-D111 VanDerWaalsContact C-N 3.27Å; L109-D111 PolarHBondContact O-N 3.21Å
112H88Confident93Very high94 Ų9453 Ų5344%0.43526%0.255SS..Hα-helixtrans-128.7-19.7-169.8-63.991.3000115.2Y81 E108 L109 R110Y81-H112 HydrophobicContact CD2-CB 3.77Å; E108-H112 PolarHBondContact O-N 2.85Å; E108-H112 PolarHBondContact O-ND1 3.39Å; L109-H112 PolarHBondContact O-N 3.33Å; R110-H112 VanDerWaalsContact C-N 3.29Å; R110-H112 PolarHBondContact O-N 2.99Å
113A89.2Confident93.1Very high12 Ų1253 Ų5310%0.09925%0.254CS..SBendtrans-90.5171176.300000111.6L109 I117L109-A113 HydrophobicContact CD1-CB 3.96Å; L109-A113 HydrophobicContact CG-CB 4.27Å; L109-A113 WeakPolarHBondContact O-CB 3.18Å; L109-A113 PolarHBondContact O-N 2.95Å; A113-I117 HydrophobicContact CB-CB 4.38Å; A113-I117 HydrophobicContact CB-CD1 3.74Å; A113-I117 HydrophobicContact CB-CG2 4.13Å
114D87.4Confident93.2Very high92 Ų9246.6 Ų46.649%0.49223%0.225SC..  trans-66.4141.5172.8-68.6-58.2000110.9N116 I117D114-N116 PolarHBondContact O-N 2.81Å; D114-I117 WeakPolarHBondContact O-CB 3.49Å; D114-I117 VanDerWaalsContact O-CG2 3.28Å; D114-I117 WeakPolarHBondContact O-CG2 3.14Å; D114-I117 PolarHBondContact O-N 2.89Å
115N84.5Confident93.4Very high158 Ų15844.1 Ų44.185%0.84522%0.216SC*.THydrogen-bonded Turntrans-56.6-18.2-179.2-71.8-22.6000114.5
116N87.6Confident93.6Very high95 Ų9544.9 Ų44.951%0.50822%0.223SC..THydrogen-bonded Turntrans-100.111.7-177.9-65.2-54.1000113.2D114 V118 R179D114-N116 PolarHBondContact O-N 2.81Å; N116-V118 PolarHBondContact O-N 2.84Å; N116-R179 PolarHBondContact ND2-NH1 2.96Å; N116-R179 VanDerWaalsContact ND2-NH1 3.1Å; N116-R179 PolarHBondContact ND2-NH2 3.03Å; N116-R179 PolarHBondContact OD1-NH2 2.58Å
117I94.5Very high93.8Very high20 Ų2046.6 Ų46.610%0.10323%0.232CC..  trans-62.5130.3178.9-169.5167.1000110.5A84 A87 L109 A113 D114 I119A84-I117 HydrophobicContact CB-CD1 3.96Å; A87-I117 HydrophobicContact CB-CD1 3.95Å; A87-I117 HydrophobicContact CB-CG1 4.5Å; L109-I117 HydrophobicContact CD1-CD1 3.93Å; L109-I117 HydrophobicContact CD2-CD1 4.31Å; L109-I117 HydrophobicContact CG-CD1 4.33Å; A113-I117 HydrophobicContact CB-CB 4.38Å; A113-I117 HydrophobicContact CB-CD1 3.74Å; A113-I117 HydrophobicContact CB-CG2 4.13Å; D114-I117 WeakPolarHBondContact O-CB 3.49Å; D114-I117 VanDerWaalsContact O-CG2 3.28Å; D114-I117 WeakPolarHBondContact O-CG2 3.14Å; D114-I117 PolarHBondContact O-N 2.89Å; I117-I119 HydrophobicContact CG2-CD1 4.02Å; I117-I119 HydrophobicContact CG2-CG1 3.94Å
118V96.6Very high93.9Very high10 Ų1042.4 Ų42.46%0.06122%0.216CC..EExtended strand (participates in β ladder)trans-79.6126173.8-179.60000108.8V85 G86 A87 N116 I168 E171 I172 I175V85-V118 PolarHBondContact O-N 2.97Å; G86-V118 CarbonylContact C-O 3.5Å; G86-V118 WeakPolarHBondContact CA-O 3.34Å; A87-V118 PolarHBondContact N-O 2.84Å; N116-V118 PolarHBondContact O-N 2.84Å; V118-I168 HydrophobicContact CG1-CG1 3.97Å; V118-E171 HydrophobicContact CG1-CB 4.1Å; V118-E171 HydrophobicContact CG1-CG 3.74Å; V118-E171 WeakPolarHBondContact CG1-OE2 3.04Å; V118-E171 HydrophobicContact CG2-CG 4.46Å; V118-I172 HydrophobicContact CB-CG1 3.78Å; V118-I172 HydrophobicContact CG1-CG1 4.4Å; V118-I172 HydrophobicContact CG2-CB 4.49Å; V118-I172 HydrophobicContact CG2-CG1 3.69Å; V118-I175 HydrophobicContact CG2-CD1 3.49Å; V118-I175 VanDerWaalsContact CG2-CD1 3.49Å
119I97.8Very high94.1Very high14 Ų1451.3 Ų51.37%0.07225%0.249CC..EExtended strand (participates in β ladder)trans-120129.2-175.2-50.8170.4000109.4A87 L89 L106 L109 I117 L148 S149A87-I119 WeakPolarHBondContact O-CA 3.24Å; L89-I119 HydrophobicContact CB-CG2 4.38Å; L106-I119 HydrophobicContact CD1-CD1 3.73Å; L106-I119 HydrophobicContact CD1-CG2 4.36Å; L109-I119 HydrophobicContact CD2-CD1 3.73Å; L109-I119 HydrophobicContact CD2-CG1 3.83Å; L109-I119 HydrophobicContact CD2-CG2 4.28Å; I117-I119 HydrophobicContact CG2-CD1 4.02Å; I117-I119 HydrophobicContact CG2-CG1 3.94Å; I119-L148 HydrophobicContact CB-CD2 3.78Å; I119-L148 HydrophobicContact CD1-CD2 4.24Å; I119-L148 HydrophobicContact CG2-CD2 3.84Å; I119-S149 PolarHBondContact O-N 2.94Å; I119-S149 VanDerWaalsContact O-N 3.13Å
120M98.5Very high94.3Very high4 Ų458.1 Ų58.12%0.0228%0.28CS..EExtended strand (participates in β ladder)trans-119.9124.5172.8176.1-178.1-6800110.3A87 L88 L89 V122 S149 I151 A164 N167 I168A87-M120 PolarHBondContact O-N 3.37Å; L88-M120 WeakPolarHBondContact CA-O 3.28Å; L88-M120 HydrophobicContact CD2-CB 3.81Å; L88-M120 HydrophobicContact CD2-CG 3.95Å; L88-M120 HydrophobicContact CD2-SD 3.68Å; L89-M120 PolarHBondContact N-O 2.56Å; M120-V122 HydrophobicContact CG-CG2 4.14Å; M120-V122 HydrophobicContact SD-CG2 4.42Å; M120-S149 CarbonylContact C-O 3.35Å; M120-S149 VanDerWaalsContact CA-O 3.3Å; M120-S149 WeakPolarHBondContact CA-O 3.32Å; M120-I151 HydrophobicContact CG-CG2 4.3Å; M120-I151 HydrophobicContact SD-CG2 3.67Å; M120-A164 HydrophobicContact SD-CB 4.18Å; M120-N167 HydrophobicContact CE-CB 3.63Å; M120-I168 HydrophobicContact CB-CD1 4.18Å; M120-I168 HydrophobicContact CE-CB 3.97Å
121L98.7Very high94.5Very high0 Ų057.5 Ų57.50%029%0.285CS..EExtended strand (participates in β ladder)trans-76.9128.1169.5-176.668.2000109.6L89 Y91 V102 A139 F142 A143 L148 S149 F150 I151L89-L121 HydrophobicContact CD2-CD1 4.43Å; L89-L121 HydrophobicContact CG-CD1 4.13Å; L89-L121 CarbonylContact O-C 3.44Å; L89-L121 WeakPolarHBondContact O-CA 3.22Å; Y91-L121 HydrophobicContact CD1-CD1 3.78Å; Y91-L121 HydrophobicContact CD1-CG 4.2Å; Y91-L121 HydrophobicContact CE1-CD1 4Å; Y91-L121 HydrophobicContact CE1-CD2 4.15Å; Y91-L121 HydrophobicContact CE1-CG 3.91Å; V102-L121 HydrophobicContact CG1-CD1 3.59Å; V102-L121 HydrophobicContact CG2-CD1 4.1Å; L121-A139 HydrophobicContact CD2-CB 4.33Å; L121-F142 HydrophobicContact CD2-CD1 4.03Å; L121-A143 HydrophobicContact CB-CB 4.43Å; L121-A143 HydrophobicContact CD2-CB 4.12Å; L121-L148 HydrophobicContact CB-CD1 4.39Å; L121-S149 PolarHBondContact N-O 2.83Å; L121-F150 HydrophobicContact CB-CD2 4.06Å; L121-F150 HydrophobicContact CD2-CD2 3.85Å; L121-F150 HydrophobicContact CD2-CE2 4.24Å; L121-F150 HydrophobicContact CG-CD2 3.95Å; L121-F150 HydrophobicContact CG-CE2 4.4Å; L121-F150 WeakPolarHBondContact O-CA 3.42Å; L121-F150 WeakPolarHBondContact O-CD2 3.11Å; L121-I151 PolarHBondContact O-N 3.24Å; L121-I151 VanDerWaalsContact O-N 3.1Å
122V98.8Very high94.9Very high2 Ų256.3 Ų56.31%0.01227%0.272CS..EExtended strand (participates in β ladder)trans-122111.9-177.7-177.30000110L27 L88 L89 V90 Y91 M120 N124 I151 T153L27-V122 HydrophobicContact CD1-CG1 4.2Å; L88-V122 HydrophobicContact CB-CG2 4.21Å; L88-V122 HydrophobicContact CD2-CG2 3.53Å; L88-V122 HydrophobicContact CG-CG2 4.41Å; L89-V122 PolarHBondContact O-N 3.22Å; V90-V122 WeakPolarHBondContact CA-O 3.33Å; V90-V122 HydrophobicContact CG1-CB 4.42Å; V90-V122 HydrophobicContact CG1-CG1 4.41Å; V90-V122 HydrophobicContact CG2-CB 4.21Å; Y91-V122 WeakPolarHBondContact CD1-O 3.47Å; Y91-V122 PolarHBondContact N-O 3.16Å; M120-V122 HydrophobicContact CG-CG2 4.14Å; M120-V122 HydrophobicContact SD-CG2 4.42Å; V122-N124 PolarHBondContact O-N 3.34Å; V122-I151 WeakPolarHBondContact CA-O 3.48Å; V122-I151 HydrophobicContact CG2-CG2 4.22Å; V122-T153 HydrophobicContact CG1-CG2 3.74Å; V122-T153 VanDerWaalsContact CG1-OG1 3.29Å; V122-T153 WeakPolarHBondContact CG1-OG1 3.38Å
123G98.6Very high95.3Very high0 Ų053.8 Ų53.80%027%0.268CS..EExtended strand (participates in β ladder)trans-8595.8169.900000110.5I151 E152 T153G123-I151 PolarHBondContact N-O 2.87Å; G123-E152 CarbonylContact O-C 3.38Å; G123-E152 WeakPolarHBondContact O-CA 3.35Å; G123-T153 PolarHBondContact O-N 3.16Å
124N98.5Very high95.8Very high2 Ų253.2 Ų53.21%0.01126%0.263CS..EExtended strand (participates in β ladder)trans-86.3162.8-176.5-167.234.5000112.5V22 L27 V90 Y91 I93 V122 T153 A155V22-N124 PolarHBondContact O-ND2 2.93Å; L27-N124 HydrophobicContact CD1-CB 4.31Å; V90-N124 HydrophobicContact CG1-CB 3.79Å; Y91-N124 PolarHBondContact O-N 2.92Å; I93-N124 WeakPolarHBondContact CG1-O 3.09Å; I93-N124 PolarHBondContact N-O 3.4Å; V122-N124 PolarHBondContact O-N 3.34Å; N124-T153 CarbonylContact C-O 3.6Å; N124-T153 VanDerWaalsContact CA-O 3.27Å; N124-T153 WeakPolarHBondContact CA-O 3.39Å; N124-T153 PolarHBondContact OD1-O 3.43Å; N124-T153 PolarHBondContact OD1-OG1 3.48Å; N124-T153 VanDerWaalsContact OD1-OG1 3.05Å; N124-A155 PolarHBondContact OD1-N 3.34Å
125K98Very high96.3Very high44 Ų4451.8 Ų51.819%0.19126%0.259CS..  trans7139.3-177.9-44.7-171.6-165.7169.80113.8G21 V22 D92 I93 D127 L128 T153G21-K125 WeakPolarHBondContact O-CE 3.43Å; G21-K125 PolarHBondContact O-NZ 3.05Å; V22-K125 WeakPolarHBondContact O-CE 3.22Å; D92-K125 WeakPolarHBondContact OD2-CD 3.42Å; D92-K125 VanDerWaalsContact OD2-CE 3.3Å; D92-K125 WeakPolarHBondContact OD2-CE 3.44Å; D92-K125 IonicContact OD2-NZ 3.14Å; D92-K125 PolarHBondContact OD2-NZ 2.66Å; I93-K125 WeakPolarHBondContact CD1-O 3.4Å; I93-K125 WeakPolarHBondContact CG1-O 3.34Å; K125-D127 VanDerWaalsContact CA-OD1 3.31Å; K125-D127 WeakPolarHBondContact CA-OD1 3.32Å; K125-D127 PolarHBondContact O-N 2.92Å; K125-D127 VanDerWaalsContact O-N 3.09Å; K125-L128 HydrophobicContact CB-CD1 4.06Å; K125-L128 HydrophobicContact CB-CG 4.25Å; K125-L128 HydrophobicContact CD-CD1 4.06Å; K125-L128 WeakPolarHBondContact O-CB 3.32Å; K125-L128 PolarHBondContact O-N 3.02Å; K125-T153 PolarHBondContact N-O 2.83Å
126S98Very high96.9Very high23 Ų2345.9 Ų45.916%0.16123%0.229CC..G310 helixtrans-57.1-21.4176.161.10000114.1L128 R129 T153 S154S126-L128 PolarHBondContact O-N 3.05Å; S126-R129 PolarHBondContact O-N 3.33Å; S126-T153 PolarHBondContact N-O 3.28Å; S126-T153 VanDerWaalsContact OG-C 3.23Å; S126-T153 PolarHBondContact OG-O 2.78Å; S126-S154 WeakPolarHBondContact OG-CB 3.4Å; S126-S154 PolarHBondContact OG-N 2.83Å
127D97.6Very high97.4Very high41 Ų4146.6 Ų46.622%0.21923%0.233CC..G310 helixtrans-59.6-29.3170.555.9-76.6000112.9K125 R129 S154 L156K125-D127 VanDerWaalsContact CA-OD1 3.31Å; K125-D127 WeakPolarHBondContact CA-OD1 3.32Å; K125-D127 PolarHBondContact O-N 2.92Å; K125-D127 VanDerWaalsContact O-N 3.09Å; D127-R129 PolarHBondContact O-N 3.33Å; D127-R129 VanDerWaalsContact O-N 3.1Å; D127-S154 VanDerWaalsContact OD1-CB 3.24Å; D127-S154 WeakPolarHBondContact OD1-CB 3.48Å; D127-S154 PolarHBondContact OD1-OG 2.89Å; D127-L156 HydrophobicContact CB-CD2 4.28Å; D127-L156 WeakPolarHBondContact OD2-CD2 3.48Å
128L95.6Very high97.5Very high47 Ų4749.6 Ų49.625%0.24625%0.246CC..G310 helixtrans-83.833.1176.7-57.9-177.8000113.1A94 K125 S126 H130 L131 R132A94-L128 HydrophobicContact CB-CB 4.21Å; A94-L128 HydrophobicContact CB-CD1 4.11Å; K125-L128 HydrophobicContact CB-CD1 4.06Å; K125-L128 HydrophobicContact CB-CG 4.25Å; K125-L128 HydrophobicContact CD-CD1 4.06Å; K125-L128 WeakPolarHBondContact O-CB 3.32Å; K125-L128 PolarHBondContact O-N 3.02Å; S126-L128 PolarHBondContact O-N 3.05Å; L128-H130 PolarHBondContact O-N 3.17Å; L128-L131 CarbonylContact O-C 3.57Å; L128-L131 WeakPolarHBondContact O-CA 3.42Å; L128-L131 PolarHBondContact O-N 2.85Å; L128-R132 PolarHBondContact O-N 2.9Å
129R94.4Very high97.6Very high202 Ų20249.1 Ų49.176%0.76224%0.243SC*.G310 helixtrans-50.2-30.3-179.166.3-174.4-178.6-152.3-0.5115.1S126 D127 L131 R132S126-R129 PolarHBondContact O-N 3.33Å; D127-R129 PolarHBondContact O-N 3.33Å; D127-R129 VanDerWaalsContact O-N 3.1Å; R129-L131 VanDerWaalsContact C-N 3.32Å; R129-R132 WeakPolarHBondContact O-CB 3.41Å; R129-R132 PolarHBondContact O-N 2.87Å
130H95.5Very high97.6Very high143 Ų14353.4 Ų53.466%0.66226%0.259SS*.G310 helixtrans-78.1-16.4-179.859.5-76.9000113.3L128L128-H130 PolarHBondContact O-N 3.17Å
131L96.8Very high97.6Very high100 Ų10055.8 Ų55.852%0.52428%0.279SS..G310 helixtrans-108.514.6174.5-59.2176000111.7A94 L128 R129 A133A94-L131 WeakPolarHBondContact CA-O 3.4Å; A94-L131 HydrophobicContact CB-CB 4.06Å; A94-L131 WeakPolarHBondContact CB-O 3.44Å; L128-L131 CarbonylContact O-C 3.57Å; L128-L131 WeakPolarHBondContact O-CA 3.42Å; L128-L131 PolarHBondContact O-N 2.85Å; R129-L131 VanDerWaalsContact C-N 3.32Å; L131-A133 PolarHBondContact O-N 2.9Å; L131-A133 VanDerWaalsContact O-N 3.12Å
132R98Very high97.5Very high79 Ų7957.4 Ų57.430%0.29829%0.286SS..  trans-57.1120-176.6178.6179.6-71.8-90.27110.2L128 R129 V134 T136 E152L128-R132 PolarHBondContact O-N 2.9Å; R129-R132 WeakPolarHBondContact O-CB 3.41Å; R129-R132 PolarHBondContact O-N 2.87Å; R132-V134 VanDerWaalsContact CD-O 3.29Å; R132-V134 WeakPolarHBondContact CD-O 3.14Å; R132-V134 WeakPolarHBondContact CG-O 3.29Å; R132-V134 PolarHBondContact NH1-O 3.31Å; R132-T136 PolarHBondContact NH1-OG1 3.15Å; R132-T136 PolarHBondContact NH2-OG1 2.83Å; R132-E152 IonicContact CZ-OE1 2.97Å; R132-E152 IonicContact CZ-OE2 2.73Å; R132-E152 IonicContact NH1-OE1 3.47Å; R132-E152 PolarHBondContact NH1-OE1 2.88Å; R132-E152 IonicContact NH1-OE2 3.6Å; R132-E152 IonicContact NH2-OE1 2.91Å; R132-E152 PolarHBondContact NH2-OE1 3.36Å; R132-E152 IonicContact NH2-OE2 3.68Å; R132-E152 PolarHBondContact NH2-OE2 3.43Å
133A97.8Very high97.5Very high41 Ų4157.4 Ų57.434%0.33929%0.286SS..  trans-102.1-20.7173.900000112I93 H96 L131I93-A133 PolarHBondContact O-N 2.87Å; H96-A133 HydrophobicContact CB-CB 4.16Å; L131-A133 PolarHBondContact O-N 2.9Å; L131-A133 VanDerWaalsContact O-N 3.12Å
134V97.9Very high97.4Very high0 Ų063.9 Ų63.90%032%0.316CS..SBendtrans-115.1111.2-179.7-173.70000109.7Y91 I93 Y99 R132 A139Y91-V134 HydrophobicContact CD2-CG2 4.34Å; Y91-V134 HydrophobicContact CE2-CB 3.92Å; Y91-V134 HydrophobicContact CE2-CG1 3.81Å; Y91-V134 HydrophobicContact CE2-CG2 4.06Å; I93-V134 PolarHBondContact O-N 3.14Å; I93-V134 VanDerWaalsContact O-N 3.09Å; Y99-V134 HydrophobicContact CD1-CG1 3.95Å; Y99-V134 HydrophobicContact CD1-CG2 4.3Å; Y99-V134 HydrophobicContact CD2-CG1 3.92Å; Y99-V134 HydrophobicContact CE1-CG1 4.24Å; Y99-V134 HydrophobicContact CE2-CG1 4.21Å; Y99-V134 HydrophobicContact CG-CG1 3.78Å; Y99-V134 HydrophobicContact CG-CG2 3.99Å; R132-V134 VanDerWaalsContact CD-O 3.29Å; R132-V134 WeakPolarHBondContact CD-O 3.14Å; R132-V134 WeakPolarHBondContact CG-O 3.29Å; R132-V134 PolarHBondContact NH1-O 3.31Å; V134-A139 HydrophobicContact CG1-CB 4.27Å
135P97.9Very high97.4Very high63 Ų6372.4 Ų72.441%0.40935%0.353SS..  trans-58.9136.3172.1-22.633.2000112D137 E138 A139P135-D137 VanDerWaalsContact C-N 3.26Å; P135-D137 PolarHBondContact O-N 2.72Å; P135-E138 HydrophobicContact CB-CB 4.13Å; P135-E138 WeakPolarHBondContact CD-OE2 3.35Å; P135-E138 HydrophobicContact CG-CB 4.49Å; P135-E138 WeakPolarHBondContact O-CB 3.42Å; P135-E138 PolarHBondContact O-N 3.17Å; P135-A139 PolarHBondContact O-N 3.3Å
136T97.7Very high97.3Very high34 Ų3471.8 Ų71.821%0.20935%0.352CS..Hα-helixtrans-58.3-39.1179.5-55.10000112.2R132 E138 A139 R140 F150 E152R132-T136 PolarHBondContact NH1-OG1 3.15Å; R132-T136 PolarHBondContact NH2-OG1 2.83Å; T136-E138 VanDerWaalsContact C-N 3.32Å; T136-E138 PolarHBondContact O-N 3.47Å; T136-A139 PolarHBondContact O-N 2.94Å; T136-R140 WeakPolarHBondContact O-CB 3.24Å; T136-R140 PolarHBondContact O-N 3.16Å; T136-F150 HydrophobicContact CG2-CE1 3.84Å; T136-F150 HydrophobicContact CG2-CZ 4.24Å; T136-E152 WeakPolarHBondContact CB-OE1 3.08Å; T136-E152 WeakPolarHBondContact CG2-OE1 3.43Å; T136-E152 PolarHBondContact OG1-OE1 3.45Å
137D97.6Very high97.2Very high110 Ų11077 Ų7759%0.58838%0.383SS*.Hα-helixtrans-69.6-31.2-178.3-61.9-28.9000112.3P135 R140 A141P135-D137 VanDerWaalsContact C-N 3.26Å; P135-D137 PolarHBondContact O-N 2.72Å; D137-R140 IonicContact OD1-CZ 3.34Å; D137-R140 IonicContact OD1-NH1 3.62Å; D137-R140 PolarHBondContact OD1-NH1 2.85Å; D137-A141 WeakPolarHBondContact O-CB 3.33Å; D137-A141 PolarHBondContact O-N 3.42Å
138E97.5Very high97.2Very high83 Ų8375.8 Ų75.839%0.38838%0.376SS..Hα-helixtrans-66-49.6174.3-174-175.4163.600110.9Y99 P135 T136 R140 A141 F142Y99-E138 HydrophobicContact CE1-CG 4.26Å; Y99-E138 VanDerWaalsContact CE1-OE1 3.31Å; Y99-E138 WeakPolarHBondContact CE1-OE1 3.45Å; Y99-E138 PolarHBondContact OH-O 3.34Å; P135-E138 HydrophobicContact CB-CB 4.13Å; P135-E138 WeakPolarHBondContact CD-OE2 3.35Å; P135-E138 HydrophobicContact CG-CB 4.49Å; P135-E138 WeakPolarHBondContact O-CB 3.42Å; P135-E138 PolarHBondContact O-N 3.17Å; T136-E138 VanDerWaalsContact C-N 3.32Å; T136-E138 PolarHBondContact O-N 3.47Å; E138-R140 VanDerWaalsContact C-N 3.32Å; E138-R140 PolarHBondContact O-N 3.44Å; E138-A141 PolarHBondContact O-N 3.26Å; E138-F142 PolarHBondContact O-N 2.97Å
139A97.8Very high97.3Very high0 Ų075.3 Ų75.30%038%0.377CS..Hα-helixtrans-64.9-36.1177.800000112.4Y91 Y99 L121 V134 P135 T136 F142 A143 F150Y91-A139 HydrophobicContact CE1-CB 4.28Å; Y91-A139 WeakPolarHBondContact OH-CB 3.4Å; Y99-A139 HydrophobicContact CE2-CB 3.9Å; L121-A139 HydrophobicContact CD2-CB 4.33Å; V134-A139 HydrophobicContact CG1-CB 4.27Å; P135-A139 PolarHBondContact O-N 3.3Å; T136-A139 PolarHBondContact O-N 2.94Å; A139-F142 PolarHBondContact O-N 2.92Å; A139-A143 WeakPolarHBondContact O-CB 3.36Å; A139-A143 PolarHBondContact O-N 3.39Å; A139-F150 HydrophobicContact CB-CE2 3.8Å; A139-F150 HydrophobicContact CB-CZ 3.76Å
140R98.1Very high97.5Very high104 Ų10467.9 Ų67.939%0.39235%0.35SS..Hα-helixtrans-63.3-47173.7-171.9-177.2-62.3123.74.3111.2T136 D137 E138 F142 A143 E144 F150T136-R140 WeakPolarHBondContact O-CB 3.24Å; T136-R140 PolarHBondContact O-N 3.16Å; D137-R140 IonicContact OD1-CZ 3.34Å; D137-R140 IonicContact OD1-NH1 3.62Å; D137-R140 PolarHBondContact OD1-NH1 2.85Å; E138-R140 VanDerWaalsContact C-N 3.32Å; E138-R140 PolarHBondContact O-N 3.44Å; R140-F142 VanDerWaalsContact C-N 3.3Å; R140-F142 PolarHBondContact O-N 2.88Å; R140-A143 WeakPolarHBondContact O-CB 3.46Å; R140-A143 PolarHBondContact O-N 3.46Å; R140-A143 VanDerWaalsContact O-N 3.14Å; R140-E144 WeakPolarHBondContact O-CG 3.39Å; R140-E144 PolarHBondContact O-N 3.17Å; R140-F150 HydrophobicContact CB-CD1 3.9Å; R140-F150 HydrophobicContact CB-CE1 4.07Å; R140-F150 HydrophobicContact CG-CD1 4.22Å
141A98.2Very high97.6Very high53 Ų5361.9 Ų61.944%0.43832%0.323SS..Hα-helixtrans-61.5-38.9177.400000111.9D137 E138 K145D137-A141 WeakPolarHBondContact O-CB 3.33Å; D137-A141 PolarHBondContact O-N 3.42Å; E138-A141 PolarHBondContact O-N 3.26Å; A141-K145 VanDerWaalsContact O-CB 3.28Å; A141-K145 WeakPolarHBondContact O-CB 3.42Å; A141-K145 PolarHBondContact O-N 3.44Å
142F98.2Very high97.7Very high35 Ų3558.5 Ų58.515%0.15430%0.304CS..Hα-helixtrans-62.7-43.8173.2177.2-85.2000112.2Y99 V102 E103 L106 L121 E138 A139 R140 K145 N146 L148Y99-F142 VanDerWaalsContact OH-CB 3.24Å; Y99-F142 WeakPolarHBondContact OH-CB 3.27Å; V102-F142 HydrophobicContact CG1-CD1 4.33Å; V102-F142 HydrophobicContact CG1-CE1 3.5Å; V102-F142 VanDerWaalsContact CG1-CE1 3.5Å; V102-F142 HydrophobicContact CG1-CZ 3.82Å; E103-F142 HydrophobicContact CB-CE2 4.46Å; E103-F142 HydrophobicContact CB-CZ 4.48Å; L106-F142 HydrophobicContact CD2-CE1 4.43Å; L106-F142 HydrophobicContact CD2-CZ 4.22Å; L121-F142 HydrophobicContact CD2-CD1 4.03Å; E138-F142 PolarHBondContact O-N 2.97Å; A139-F142 PolarHBondContact O-N 2.92Å; R140-F142 VanDerWaalsContact C-N 3.3Å; R140-F142 PolarHBondContact O-N 2.88Å; F142-K145 PolarHBondContact O-N 3.1Å; F142-N146 WeakPolarHBondContact CE2-ND2 3.34Å; F142-N146 WeakPolarHBondContact CZ-ND2 3.31Å; F142-N146 WeakPolarHBondContact O-CB 3.43Å; F142-N146 PolarHBondContact O-N 3.09Å; F142-N146 VanDerWaalsContact O-N 3.12Å; F142-N146 PolarHBondContact O-ND2 2.98Å; F142-L148 HydrophobicContact CD1-CD1 4.42Å; F142-L148 HydrophobicContact CE1-CD1 3.99Å
143A97.9Very high97.7Very high1 Ų154.7 Ų54.71%0.00829%0.29CS..Hα-helixtrans-62.9-47.2178.400000111.5L121 A139 R140 K145 N146 T147 L148 F150L121-A143 HydrophobicContact CB-CB 4.43Å; L121-A143 HydrophobicContact CD2-CB 4.12Å; A139-A143 WeakPolarHBondContact O-CB 3.36Å; A139-A143 PolarHBondContact O-N 3.39Å; R140-A143 WeakPolarHBondContact O-CB 3.46Å; R140-A143 PolarHBondContact O-N 3.46Å; R140-A143 VanDerWaalsContact O-N 3.14Å; A143-K145 PolarHBondContact O-N 2.9Å; A143-N146 CarbonylContact O-C 3.59Å; A143-N146 PolarHBondContact O-N 3.03Å; A143-T147 PolarHBondContact O-N 2.95Å; A143-L148 HydrophobicContact CB-CB 4.12Å; A143-L148 PolarHBondContact O-N 2.84Å; A143-F150 HydrophobicContact CB-CB 3.68Å; A143-F150 HydrophobicContact CB-CG 4.35Å
144E97.4Very high97.7Very high137 Ų13752.8 Ų52.864%0.6427%0.274SS*.Hα-helixtrans-59.3-47.2176.2-72.3174-170.600111.8R140 N146 T147R140-E144 WeakPolarHBondContact O-CG 3.39Å; R140-E144 PolarHBondContact O-N 3.17Å; E144-N146 PolarHBondContact O-N 3.38Å; E144-T147 PolarHBondContact O-N 3.02Å
145K97.6Very high97.7Very high180 Ų18052.9 Ų52.978%0.78328%0.275SS*.Hα-helixtrans-58.6-32.6177.8-179-178175.7-172.20112.9A141 F142 A143A141-K145 VanDerWaalsContact O-CB 3.28Å; A141-K145 WeakPolarHBondContact O-CB 3.42Å; A141-K145 PolarHBondContact O-N 3.44Å; F142-K145 PolarHBondContact O-N 3.1Å; A143-K145 PolarHBondContact O-N 2.9Å
146N96.3Very high97.6Very high32 Ų3253.7 Ų53.717%0.17128%0.275CS..THydrogen-bonded Turntrans-101.35.2-177-73.5-77.7000113.7L106 R110 F142 A143 E144 L148L106-N146 HydrophobicContact CD2-CB 3.97Å; R110-N146 PolarHBondContact NH2-O 2.84Å; F142-N146 WeakPolarHBondContact CE2-ND2 3.34Å; F142-N146 WeakPolarHBondContact CZ-ND2 3.31Å; F142-N146 WeakPolarHBondContact O-CB 3.43Å; F142-N146 PolarHBondContact O-N 3.09Å; F142-N146 VanDerWaalsContact O-N 3.12Å; F142-N146 PolarHBondContact O-ND2 2.98Å; A143-N146 CarbonylContact O-C 3.59Å; A143-N146 PolarHBondContact O-N 3.03Å; E144-N146 PolarHBondContact O-N 3.38Å; N146-L148 HydrophobicContact CB-CD1 3.91Å; N146-L148 HydrophobicContact CB-CD2 4.19Å; N146-L148 HydrophobicContact CB-CG 3.74Å; N146-L148 WeakPolarHBondContact O-CD2 3.14Å
147T95.6Very high97.4Very high131 Ų13155.8 Ų55.880%0.80429%0.285SS*.THydrogen-bonded Turntrans57.449-176.7-39.50000112.3A143 E144A143-T147 PolarHBondContact O-N 2.95Å; E144-T147 PolarHBondContact O-N 3.02Å
148L97Very high97.4Very high16 Ų1653.4 Ų53.48%0.08428%0.277CS..  trans-111.9143.3177.3-41.1177000109.4L106 I119 L121 F142 A143 N146L106-L148 HydrophobicContact CD1-CD1 4.4Å; L106-L148 HydrophobicContact CD1-CD2 3.94Å; L106-L148 HydrophobicContact CD2-CD1 4.19Å; I119-L148 HydrophobicContact CB-CD2 3.78Å; I119-L148 HydrophobicContact CD1-CD2 4.24Å; I119-L148 HydrophobicContact CG2-CD2 3.84Å; L121-L148 HydrophobicContact CB-CD1 4.39Å; F142-L148 HydrophobicContact CD1-CD1 4.42Å; F142-L148 HydrophobicContact CE1-CD1 3.99Å; A143-L148 HydrophobicContact CB-CB 4.12Å; A143-L148 PolarHBondContact O-N 2.84Å; N146-L148 HydrophobicContact CB-CD1 3.91Å; N146-L148 HydrophobicContact CB-CD2 4.19Å; N146-L148 HydrophobicContact CB-CG 3.74Å; N146-L148 WeakPolarHBondContact O-CD2 3.14Å
149S97.4Very high97.4Very high37 Ų3752.2 Ų52.226%0.25928%0.276SS..EExtended strand (participates in β ladder)trans-67.7150.2163.4-72.20000109.4I119 M120 L121 E171I119-S149 PolarHBondContact O-N 2.94Å; I119-S149 VanDerWaalsContact O-N 3.13Å; M120-S149 CarbonylContact C-O 3.35Å; M120-S149 VanDerWaalsContact CA-O 3.3Å; M120-S149 WeakPolarHBondContact CA-O 3.32Å; L121-S149 PolarHBondContact N-O 2.83Å; S149-E171 PolarHBondContact OG-OE2 3.42Å
150F98.5Very high97.4Very high47 Ų4755.1 Ų55.121%0.20629%0.291CS..EExtended strand (participates in β ladder)trans-135.3136.9-178.6174.6-117.2000112.4Y91 L121 T136 A139 R140 A143 E152Y91-F150 HydrophobicContact CE1-CE2 4.26Å; L121-F150 HydrophobicContact CB-CD2 4.06Å; L121-F150 HydrophobicContact CD2-CD2 3.85Å; L121-F150 HydrophobicContact CD2-CE2 4.24Å; L121-F150 HydrophobicContact CG-CD2 3.95Å; L121-F150 HydrophobicContact CG-CE2 4.4Å; L121-F150 WeakPolarHBondContact O-CA 3.42Å; L121-F150 WeakPolarHBondContact O-CD2 3.11Å; T136-F150 HydrophobicContact CG2-CE1 3.84Å; T136-F150 HydrophobicContact CG2-CZ 4.24Å; A139-F150 HydrophobicContact CB-CE2 3.8Å; A139-F150 HydrophobicContact CB-CZ 3.76Å; R140-F150 HydrophobicContact CB-CD1 3.9Å; R140-F150 HydrophobicContact CB-CE1 4.07Å; R140-F150 HydrophobicContact CG-CD1 4.22Å; A143-F150 HydrophobicContact CB-CB 3.68Å; A143-F150 HydrophobicContact CB-CG 4.35Å; F150-E152 HydrophobicContact CE1-CG 4.32Å; F150-E152 HydrophobicContact CE2-CG 4.26Å; F150-E152 HydrophobicContact CZ-CG 3.63Å
151I98.6Very high97.4Very high16 Ų1650.3 Ų50.38%0.08227%0.274CS..EExtended strand (participates in β ladder)trans-150.6147.8172.7-163.9165000110.5M120 L121 V122 G123 T153 N160 E163 A164M120-I151 HydrophobicContact CG-CG2 4.3Å; M120-I151 HydrophobicContact SD-CG2 3.67Å; L121-I151 PolarHBondContact O-N 3.24Å; L121-I151 VanDerWaalsContact O-N 3.1Å; V122-I151 WeakPolarHBondContact CA-O 3.48Å; V122-I151 HydrophobicContact CG2-CG2 4.22Å; G123-I151 PolarHBondContact N-O 2.87Å; I151-T153 HydrophobicContact CG2-CG2 4.14Å; I151-N160 HydrophobicContact CD1-CB 3.81Å; I151-N160 HydrophobicContact CG1-CB 4.04Å; I151-E163 HydrophobicContact CD1-CB 4.15Å; I151-E163 HydrophobicContact CD1-CG 3.91Å; I151-A164 HydrophobicContact CD1-CB 4.38Å; I151-A164 HydrophobicContact CG2-CB 3.7Å
152E98.6Very high97.4Very high29 Ų2950.7 Ų50.714%0.13627%0.266CS..EExtended strand (participates in β ladder)trans-101.3139167.8-66.7-171.7170.100110.1G123 R132 T136 F150 N160G123-E152 CarbonylContact O-C 3.38Å; G123-E152 WeakPolarHBondContact O-CA 3.35Å; R132-E152 IonicContact CZ-OE1 2.97Å; R132-E152 IonicContact CZ-OE2 2.73Å; R132-E152 IonicContact NH1-OE1 3.47Å; R132-E152 PolarHBondContact NH1-OE1 2.88Å; R132-E152 IonicContact NH1-OE2 3.6Å; R132-E152 IonicContact NH2-OE1 2.91Å; R132-E152 PolarHBondContact NH2-OE1 3.36Å; R132-E152 IonicContact NH2-OE2 3.68Å; R132-E152 PolarHBondContact NH2-OE2 3.43Å; T136-E152 WeakPolarHBondContact CB-OE1 3.08Å; T136-E152 WeakPolarHBondContact CG2-OE1 3.43Å; T136-E152 PolarHBondContact OG1-OE1 3.45Å; F150-E152 HydrophobicContact CE1-CG 4.32Å; F150-E152 HydrophobicContact CE2-CG 4.26Å; F150-E152 HydrophobicContact CZ-CG 3.63Å; E152-N160 VanDerWaalsContact O-CB 3.23Å; E152-N160 WeakPolarHBondContact O-CB 3.49Å; E152-N160 PolarHBondContact O-ND2 3.26Å
153T98.6Very high97.3Very high0 Ų053.6 Ų53.60%028%0.28CS..EExtended strand (participates in β ladder)trans-131.8159.7-174.9630000111.7V122 G123 N124 K125 S126 I151 T159 N160 A164V122-T153 HydrophobicContact CG1-CG2 3.74Å; V122-T153 VanDerWaalsContact CG1-OG1 3.29Å; V122-T153 WeakPolarHBondContact CG1-OG1 3.38Å; G123-T153 PolarHBondContact O-N 3.16Å; N124-T153 CarbonylContact C-O 3.6Å; N124-T153 VanDerWaalsContact CA-O 3.27Å; N124-T153 WeakPolarHBondContact CA-O 3.39Å; N124-T153 PolarHBondContact OD1-O 3.43Å; N124-T153 PolarHBondContact OD1-OG1 3.48Å; N124-T153 VanDerWaalsContact OD1-OG1 3.05Å; K125-T153 PolarHBondContact N-O 2.83Å; S126-T153 PolarHBondContact N-O 3.28Å; S126-T153 VanDerWaalsContact OG-C 3.23Å; S126-T153 PolarHBondContact OG-O 2.78Å; I151-T153 HydrophobicContact CG2-CG2 4.14Å; T153-T159 CarbonylContact C-O 3.6Å; T153-T159 VanDerWaalsContact CA-O 3.3Å; T153-T159 WeakPolarHBondContact CA-O 3.44Å; T153-N160 HydrophobicContact CG2-CB 4.05Å; T153-A164 HydrophobicContact CG2-CB 3.97Å
154S98.2Very high97.4Very high0 Ų053.7 Ų53.70%028%0.281CS..  trans-130.3116.2160.41720000110.1S126 D127 L156 D157 S158 T159 V161S126-S154 WeakPolarHBondContact OG-CB 3.4Å; S126-S154 PolarHBondContact OG-N 2.83Å; D127-S154 VanDerWaalsContact OD1-CB 3.24Å; D127-S154 WeakPolarHBondContact OD1-CB 3.48Å; D127-S154 PolarHBondContact OD1-OG 2.89Å; S154-L156 PolarHBondContact O-N 2.79Å; S154-L156 WeakPolarHBondContact OG-CB 3.31Å; S154-L156 PolarHBondContact OG-N 3.11Å; S154-L156 VanDerWaalsContact OG-N 3.16Å; S154-D157 WeakPolarHBondContact CB-OD1 3.11Å; S154-D157 PolarHBondContact OG-N 2.83Å; S154-D157 PolarHBondContact OG-OD1 2.88Å; S154-S158 CarbonylContact O-C 3.58Å; S154-S158 WeakPolarHBondContact O-CA 3.49Å; S154-S158 PolarHBondContact O-N 3.31Å; S154-T159 PolarHBondContact N-O 3.24Å; S154-T159 PolarHBondContact O-N 3.03Å; S154-V161 WeakPolarHBondContact O-CG2 3.33Å
155A96.8Very high97.4Very high3 Ų347.3 Ų47.33%0.02525%0.251CS..THydrogen-bonded Turntrans-66.4-24.5169.600000112.4N26 L27 R30 F36 N124N26-A155 HydrophobicContact CB-CB 3.82Å; L27-A155 HydrophobicContact CD2-CB 4.02Å; L27-A155 HydrophobicContact CG-CB 4.26Å; R30-A155 PolarHBondContact NE-O 2.9Å; R30-A155 PolarHBondContact NH2-O 2.88Å; F36-A155 HydrophobicContact CD2-CB 4.11Å; F36-A155 WeakPolarHBondContact CD2-O 3.26Å; F36-A155 HydrophobicContact CE2-CB 4.27Å; N124-A155 PolarHBondContact OD1-N 3.34Å
156L95.5Very high97.3Very high79 Ų7942.9 Ų42.941%0.41423%0.232SC..THydrogen-bonded Turntrans-68.1-57-179.4176.566.7000110.7R30 F36 D127 S154R30-L156 PolarHBondContact NH2-O 3.48Å; F36-L156 HydrophobicContact CD1-CD1 3.81Å; F36-L156 HydrophobicContact CE1-CD1 3.35Å; F36-L156 HydrophobicContact CE2-CB 4.12Å; F36-L156 HydrophobicContact CE2-CD1 4.38Å; F36-L156 HydrophobicContact CZ-CB 4.11Å; F36-L156 HydrophobicContact CZ-CD1 3.67Å; F36-L156 HydrophobicContact CZ-CG 4.5Å; D127-L156 HydrophobicContact CB-CD2 4.28Å; D127-L156 WeakPolarHBondContact OD2-CD2 3.48Å; S154-L156 PolarHBondContact O-N 2.79Å; S154-L156 WeakPolarHBondContact OG-CB 3.31Å; S154-L156 PolarHBondContact OG-N 3.11Å; S154-L156 VanDerWaalsContact OG-N 3.16Å
157D95Very high97.4Very high78 Ų7844.7 Ų44.742%0.41724%0.241SC..THydrogen-bonded Turntrans-98.63.5-176.270.121.1000113.9S154 T159S154-D157 WeakPolarHBondContact CB-OD1 3.11Å; S154-D157 PolarHBondContact OG-N 2.83Å; S154-D157 PolarHBondContact OG-OD1 2.88Å; D157-T159 VanDerWaalsContact C-N 3.27Å; D157-T159 VanDerWaalsContact CG-OG1 3.27Å; D157-T159 PolarHBondContact O-N 2.93Å; D157-T159 WeakPolarHBondContact OD1-CB 3.48Å; D157-T159 PolarHBondContact OD1-N 2.97Å; D157-T159 PolarHBondContact OD1-OG1 3.09Å; D157-T159 PolarHBondContact OD2-OG1 3.4Å
158S96.2Very high97.5Very high61 Ų6138.4 Ų38.443%0.42720%0.203SC..  trans71.44.1-178.574.10000116.6S154 N160 V161S154-S158 CarbonylContact O-C 3.58Å; S154-S158 WeakPolarHBondContact O-CA 3.49Å; S154-S158 PolarHBondContact O-N 3.31Å; S158-N160 PolarHBondContact O-N 2.98Å; S158-V161 PolarHBondContact O-N 2.82Å
159T98.3Very high97.5Very high57 Ų5737.7 Ų37.735%0.3520%0.199SC..THydrogen-bonded Turntrans-53.1124.3178.9-620000111.1T153 S154 D157 V161T153-T159 CarbonylContact C-O 3.6Å; T153-T159 VanDerWaalsContact CA-O 3.3Å; T153-T159 WeakPolarHBondContact CA-O 3.44Å; S154-T159 PolarHBondContact N-O 3.24Å; S154-T159 PolarHBondContact O-N 3.03Å; D157-T159 VanDerWaalsContact C-N 3.27Å; D157-T159 VanDerWaalsContact CG-OG1 3.27Å; D157-T159 PolarHBondContact O-N 2.93Å; D157-T159 WeakPolarHBondContact OD1-CB 3.48Å; D157-T159 PolarHBondContact OD1-N 2.97Å; D157-T159 PolarHBondContact OD1-OG1 3.09Å; D157-T159 PolarHBondContact OD2-OG1 3.4Å; T159-V161 PolarHBondContact O-N 2.98Å
160N98.1Very high97.4Very high62 Ų6237.2 Ų37.233%0.33220%0.195SC..THydrogen-bonded Turntrans57.58.1175.5-60.7-13.1000116.3I151 E152 T153 S158 E163 A164I151-N160 HydrophobicContact CD1-CB 3.81Å; I151-N160 HydrophobicContact CG1-CB 4.04Å; E152-N160 VanDerWaalsContact O-CB 3.23Å; E152-N160 WeakPolarHBondContact O-CB 3.49Å; E152-N160 PolarHBondContact O-ND2 3.26Å; T153-N160 HydrophobicContact CG2-CB 4.05Å; S158-N160 PolarHBondContact O-N 2.98Å; N160-E163 PolarHBondContact O-N 2.82Å; N160-A164 WeakPolarHBondContact O-CB 3.41Å; N160-A164 PolarHBondContact O-N 2.99Å
161V98Very high97.3Very high3 Ų338.1 Ų38.12%0.01820%0.2CC..Hα-helixtrans-65.7-51.3-179.4178.80000110.5L27 R30 F31 S154 S158 T159 E163 A164 F165L27-V161 HydrophobicContact CD2-CG1 4.16Å; L27-V161 HydrophobicContact CD2-CG2 3.75Å; R30-V161 HydrophobicContact CB-CG1 4.11Å; R30-V161 HydrophobicContact CG-CB 4.13Å; R30-V161 HydrophobicContact CG-CG1 3.86Å; R30-V161 HydrophobicContact CG-CG2 4.05Å; F31-V161 HydrophobicContact CB-CG1 4.14Å; S154-V161 WeakPolarHBondContact O-CG2 3.33Å; S158-V161 PolarHBondContact O-N 2.82Å; T159-V161 PolarHBondContact O-N 2.98Å; V161-E163 VanDerWaalsContact C-N 3.25Å; V161-E163 PolarHBondContact O-N 3.36Å; V161-A164 PolarHBondContact O-N 3.1Å; V161-F165 HydrophobicContact CG1-CD2 4.32Å; V161-F165 HydrophobicContact CG1-CE2 4.23Å; V161-F165 WeakPolarHBondContact O-CD2 3.33Å; V161-F165 PolarHBondContact O-N 3.44Å
162E96.9Very high97.2Very high61 Ų6137.5 Ų37.529%0.28520%0.196SC..Hα-helixtrans-58.7-41176.5-174.173.4179.200111.5R51 K166R51-E162 IonicContact CZ-OE1 2.66Å; R51-E162 IonicContact CZ-OE2 3.8Å; R51-E162 IonicContact NH1-OE1 3.19Å; R51-E162 IonicContact NH1-OE2 2.7Å; R51-E162 PolarHBondContact NH1-OE2 2.85Å; R51-E162 IonicContact NH2-OE1 3.28Å; R51-E162 PolarHBondContact NH2-OE1 3.31Å; R51-E162 IonicContact NH2-OE2 2.79Å; R51-E162 PolarHBondContact NH2-OE2 3.12Å; E162-K166 HydrophobicContact CG-CD 3.99Å; E162-K166 WeakPolarHBondContact O-CB 3.42Å; E162-K166 WeakPolarHBondContact O-CG 3.42Å; E162-K166 PolarHBondContact O-N 2.99Å; E162-K166 WeakPolarHBondContact OE1-CE 3.5Å; E162-K166 IonicContact OE1-NZ 3.08Å; E162-K166 PolarHBondContact OE1-NZ 2.82Å; E162-K166 VanDerWaalsContact OE1-NZ 3.08Å
163E97.9Very high97Very high96 Ų9637.4 Ų37.445%0.44920%0.195SC..Hα-helixtrans-66.9-42.9-178.5-173.3173.9176.500111.9I151 N160 V161 F165 K166 N167I151-E163 HydrophobicContact CD1-CB 4.15Å; I151-E163 HydrophobicContact CD1-CG 3.91Å; N160-E163 PolarHBondContact O-N 2.82Å; V161-E163 VanDerWaalsContact C-N 3.25Å; V161-E163 PolarHBondContact O-N 3.36Å; E163-F165 PolarHBondContact O-N 2.9Å; E163-K166 PolarHBondContact O-N 3.4Å; E163-N167 WeakPolarHBondContact CG-ND2 3.33Å; E163-N167 VanDerWaalsContact O-CB 3.22Å; E163-N167 WeakPolarHBondContact O-CB 3.3Å; E163-N167 PolarHBondContact O-N 3.22Å; E163-N167 PolarHBondContact O-OD1 3.33Å
164A98.2Very high96.8Very high3 Ų344.3 Ų44.33%0.02522%0.221CC..Hα-helixtrans-56.8-49.6177.700000111.8M120 I151 T153 N160 V161 N167 I168M120-A164 HydrophobicContact SD-CB 4.18Å; I151-A164 HydrophobicContact CD1-CB 4.38Å; I151-A164 HydrophobicContact CG2-CB 3.7Å; T153-A164 HydrophobicContact CG2-CB 3.97Å; N160-A164 WeakPolarHBondContact O-CB 3.41Å; N160-A164 PolarHBondContact O-N 2.99Å; V161-A164 PolarHBondContact O-N 3.1Å; A164-N167 PolarHBondContact O-N 3.07Å; A164-I168 WeakPolarHBondContact O-CG2 3.44Å; A164-I168 PolarHBondContact O-N 3.43Å; A164-I168 VanDerWaalsContact O-N 3.17Å
165F97.7Very high96.4Very high2 Ų247 Ų471%0.00924%0.235CC..Hα-helixtrans-68.8-39.9178.6-76-81.7000112.5L16 F31 I64 L88 V161 E163 I168 L169L16-F165 HydrophobicContact CD2-CE1 4.09Å; L16-F165 HydrophobicContact CD2-CZ 4.06Å; F31-F165 HydrophobicContact CB-CD2 3.59Å; F31-F165 HydrophobicContact CB-CE2 3.51Å; F31-F165 HydrophobicContact CB-CG 4.31Å; F31-F165 HydrophobicContact CB-CZ 4.16Å; F31-F165 HydrophobicContact CD1-CB 4.26Å; F31-F165 AromaticContact CD1-CD1 3.93Å; F31-F165 HydrophobicContact CD1-CD1 3.93Å; F31-F165 AromaticContact CD1-CD2 3.96Å; F31-F165 HydrophobicContact CD1-CD2 3.96Å; F31-F165 HydrophobicContact CD1-CE1 4.24Å; F31-F165 HydrophobicContact CD1-CE2 4.28Å; F31-F165 AromaticContact CD1-CG 3.79Å; F31-F165 HydrophobicContact CD1-CG 3.79Å; F31-F165 HydrophobicContact CD1-CZ 4.41Å; F31-F165 HydrophobicContact CD2-CB 3.62Å; F31-F165 AromaticContact CD2-CD2 3.47Å; F31-F165 HydrophobicContact CD2-CD2 3.47Å; F31-F165 VanDerWaalsContact CD2-CD2 3.47Å; F31-F165 HydrophobicContact CD2-CE2 4.29Å; F31-F165 AromaticContact CD2-CG 3.66Å; F31-F165 HydrophobicContact CD2-CG 3.66Å; F31-F165 HydrophobicContact CE1-CB 3.99Å; F31-F165 HydrophobicContact CE1-CD1 4.05Å; F31-F165 AromaticContact CE1-CG 3.95Å; F31-F165 HydrophobicContact CE1-CG 3.95Å; F31-F165 HydrophobicContact CE2-CB 3.31Å; F31-F165 HydrophobicContact CE2-CD2 4.12Å; F31-F165 AromaticContact CE2-CG 3.84Å; F31-F165 HydrophobicContact CE2-CG 3.84Å; F31-F165 HydrophobicContact CG-CB 4.1Å; F31-F165 HydrophobicContact CG-CD1 4.22Å; F31-F165 AromaticContact CG-CD2 3.38Å; F31-F165 HydrophobicContact CG-CD2 3.38Å; F31-F165 AromaticContact CG-CE2 3.78Å; F31-F165 HydrophobicContact CG-CE2 3.78Å; F31-F165 AromaticContact CG-CG 3.64Å; F31-F165 HydrophobicContact CG-CG 3.64Å; F31-F165 HydrophobicContact CG-CZ 4.34Å; F31-F165 HydrophobicContact CZ-CB 3.51Å; F31-F165 HydrophobicContact CZ-CD1 4.44Å; F31-F165 AromaticContact CZ-CG 3.98Å; F31-F165 HydrophobicContact CZ-CG 3.98Å; I64-F165 HydrophobicContact CD1-CD1 3.85Å; I64-F165 HydrophobicContact CD1-CE1 3.64Å; I64-F165 HydrophobicContact CD1-CZ 4.48Å; I64-F165 HydrophobicContact CG1-CE1 4.29Å; I64-F165 HydrophobicContact CG2-CE1 4.01Å; L88-F165 HydrophobicContact CD1-CD1 3.73Å; L88-F165 HydrophobicContact CD1-CE1 3.32Å; L88-F165 HydrophobicContact CD1-CE2 4.18Å; L88-F165 HydrophobicContact CD1-CG 4.31Å; L88-F165 HydrophobicContact CD1-CZ 3.58Å; V161-F165 HydrophobicContact CG1-CD2 4.32Å; V161-F165 HydrophobicContact CG1-CE2 4.23Å; V161-F165 WeakPolarHBondContact O-CD2 3.33Å; V161-F165 PolarHBondContact O-N 3.44Å; E163-F165 PolarHBondContact O-N 2.9Å; F165-I168 WeakPolarHBondContact O-CG2 3.5Å; F165-L169 VanDerWaalsContact O-CB 3.29Å; F165-L169 WeakPolarHBondContact O-CB 3.41Å; F165-L169 WeakPolarHBondContact O-CD1 3.42Å; F165-L169 WeakPolarHBondContact O-CG 3.5Å; F165-L169 PolarHBondContact O-N 3.32Å; F165-L169 VanDerWaalsContact O-N 3.07Å
166K96.8Very high96.1Very high88 Ų8848.7 Ų48.738%0.38325%0.245SC..Hα-helixtrans-63.7-42.7175.5-79.7-179.9177.9162.90112.1I53 E162 E163 L169 T170I53-K166 HydrophobicContact CD1-CG 4.23Å; E162-K166 HydrophobicContact CG-CD 3.99Å; E162-K166 WeakPolarHBondContact O-CB 3.42Å; E162-K166 WeakPolarHBondContact O-CG 3.42Å; E162-K166 PolarHBondContact O-N 2.99Å; E162-K166 WeakPolarHBondContact OE1-CE 3.5Å; E162-K166 IonicContact OE1-NZ 3.08Å; E162-K166 PolarHBondContact OE1-NZ 2.82Å; E162-K166 VanDerWaalsContact OE1-NZ 3.08Å; E163-K166 PolarHBondContact O-N 3.4Å; K166-L169 PolarHBondContact O-N 2.9Å; K166-T170 VanDerWaalsContact O-CB 3.22Å; K166-T170 WeakPolarHBondContact O-CB 3.49Å; K166-T170 PolarHBondContact O-N 2.73Å; K166-T170 PolarHBondContact O-OG1 2.93Å
167N97.4Very high95.8Very high69 Ų6945.9 Ų45.937%0.36923%0.232SC..Hα-helixtrans-63.3-49.8-178.2-74-3000110.8M120 E163 A164 L169 T170 E171M120-N167 HydrophobicContact CE-CB 3.63Å; E163-N167 WeakPolarHBondContact CG-ND2 3.33Å; E163-N167 VanDerWaalsContact O-CB 3.22Å; E163-N167 WeakPolarHBondContact O-CB 3.3Å; E163-N167 PolarHBondContact O-N 3.22Å; E163-N167 PolarHBondContact O-OD1 3.33Å; A164-N167 PolarHBondContact O-N 3.07Å; N167-L169 PolarHBondContact O-N 3.39Å; N167-T170 PolarHBondContact O-N 3.17Å; N167-E171 WeakPolarHBondContact O-CB 2.97Å; N167-E171 PolarHBondContact O-N 2.92Å
168I97.3Very high95.3Very high0 Ų048.3 Ų48.30%024%0.241CC..Hα-helixtrans-64.8-41.2178.7-165.2174.9000111.9V14 A87 L88 V118 M120 A164 F165 T170 E171 I172V14-I168 HydrophobicContact CG1-CD1 4.46Å; A87-I168 WeakPolarHBondContact O-CD1 3.29Å; L88-I168 HydrophobicContact CD2-CD1 4.1Å; L88-I168 HydrophobicContact CD2-CG2 4.37Å; L88-I168 HydrophobicContact CG-CD1 4.19Å; V118-I168 HydrophobicContact CG1-CG1 3.97Å; M120-I168 HydrophobicContact CB-CD1 4.18Å; M120-I168 HydrophobicContact CE-CB 3.97Å; A164-I168 WeakPolarHBondContact O-CG2 3.44Å; A164-I168 PolarHBondContact O-N 3.43Å; A164-I168 VanDerWaalsContact O-N 3.17Å; F165-I168 WeakPolarHBondContact O-CG2 3.5Å; I168-T170 VanDerWaalsContact C-N 3.35Å; I168-T170 PolarHBondContact O-N 2.92Å; I168-E171 PolarHBondContact O-N 3.49Å; I168-I172 HydrophobicContact CG1-CD1 4.1Å; I168-I172 WeakPolarHBondContact O-CD1 3.48Å; I168-I172 WeakPolarHBondContact O-CG1 3.48Å; I168-I172 PolarHBondContact O-N 3.37Å
169L97.1Very high94.6Very high1 Ų150.6 Ų50.61%0.00524%0.24CC..Hα-helixtrans-67.1-36.7178.9-69.5168.9000112.1F12 V14 I53 I60 A62 F165 K166 N167 Y173F12-L169 HydrophobicContact CB-CD2 4.04Å; F12-L169 HydrophobicContact CD2-CD2 3.99Å; V14-L169 HydrophobicContact CG2-CD2 3.96Å; I53-L169 HydrophobicContact CD1-CB 3.79Å; I53-L169 HydrophobicContact CD1-CD1 3.43Å; I53-L169 VanDerWaalsContact CD1-CD1 3.43Å; I53-L169 HydrophobicContact CD1-CG 4.25Å; I53-L169 HydrophobicContact CG1-CD1 3.99Å; I60-L169 HydrophobicContact CG2-CD2 4.38Å; A62-L169 HydrophobicContact CB-CD1 3.77Å; A62-L169 HydrophobicContact CB-CD2 3.83Å; A62-L169 HydrophobicContact CB-CG 4.48Å; F165-L169 VanDerWaalsContact O-CB 3.29Å; F165-L169 WeakPolarHBondContact O-CB 3.41Å; F165-L169 WeakPolarHBondContact O-CD1 3.42Å; F165-L169 WeakPolarHBondContact O-CG 3.5Å; F165-L169 PolarHBondContact O-N 3.32Å; F165-L169 VanDerWaalsContact O-N 3.07Å; K166-L169 PolarHBondContact O-N 2.9Å; N167-L169 PolarHBondContact O-N 3.39Å; L169-Y173 VanDerWaalsContact O-CB 3.3Å; L169-Y173 WeakPolarHBondContact O-CB 3.44Å; L169-Y173 PolarHBondContact O-N 2.84Å
170T96.3Very high93.6Very high27 Ų2751.7 Ų51.717%0.16624%0.241CC..Hα-helixtrans-68.3-40174.9-57.70000111.1V55 K166 N167 I168 Y173 R174V55-T170 HydrophobicContact CG1-CG2 3.94Å; K166-T170 VanDerWaalsContact O-CB 3.22Å; K166-T170 WeakPolarHBondContact O-CB 3.49Å; K166-T170 PolarHBondContact O-N 2.73Å; K166-T170 PolarHBondContact O-OG1 2.93Å; N167-T170 PolarHBondContact O-N 3.17Å; I168-T170 VanDerWaalsContact C-N 3.35Å; I168-T170 PolarHBondContact O-N 2.92Å; T170-Y173 WeakPolarHBondContact O-CB 3.23Å; T170-Y173 PolarHBondContact O-N 3.34Å; T170-R174 WeakPolarHBondContact O-CG 3.36Å; T170-R174 PolarHBondContact O-N 3.03Å
171E95.6Very high92.5Very high65 Ų6554.4 Ų54.430%0.30425%0.254SS..Hα-helixtrans-63.5-47.3176.3-171.6176.2172.700111.4V118 S149 N167 I168 Y173 R174 I175V118-E171 HydrophobicContact CG1-CB 4.1Å; V118-E171 HydrophobicContact CG1-CG 3.74Å; V118-E171 WeakPolarHBondContact CG1-OE2 3.04Å; V118-E171 HydrophobicContact CG2-CG 4.46Å; S149-E171 PolarHBondContact OG-OE2 3.42Å; N167-E171 WeakPolarHBondContact O-CB 2.97Å; N167-E171 PolarHBondContact O-N 2.92Å; I168-E171 PolarHBondContact O-N 3.49Å; E171-Y173 VanDerWaalsContact C-N 3.32Å; E171-Y173 PolarHBondContact O-N 2.84Å; E171-R174 PolarHBondContact O-N 2.9Å; E171-I175 HydrophobicContact CG-CD1 4.46Å; E171-I175 WeakPolarHBondContact O-CG1 3.25Å; E171-I175 PolarHBondContact O-N 3.48Å; E171-I175 VanDerWaalsContact O-N 3.14Å
172I95.8Very high91.4Very high3 Ų357 Ų572%0.01527%0.272CS..Hα-helixtrans-57.8-46.9172.9-63.4157000110.3F12 V14 V85 V118 I168 R174 I175 V176F12-I172 HydrophobicContact CD1-CG2 3.89Å; F12-I172 HydrophobicContact CD2-CB 4.12Å; F12-I172 HydrophobicContact CD2-CG2 3.71Å; F12-I172 HydrophobicContact CE1-CG2 3.87Å; F12-I172 HydrophobicContact CE2-CB 4.08Å; F12-I172 HydrophobicContact CE2-CG2 3.68Å; F12-I172 HydrophobicContact CG-CG2 3.85Å; F12-I172 HydrophobicContact CZ-CG2 3.79Å; V14-I172 HydrophobicContact CG2-CD1 4.17Å; V85-I172 HydrophobicContact CB-CG2 4.08Å; V85-I172 HydrophobicContact CG2-CD1 4.22Å; V85-I172 HydrophobicContact CG2-CG2 3.83Å; V118-I172 HydrophobicContact CB-CG1 3.78Å; V118-I172 HydrophobicContact CG1-CG1 4.4Å; V118-I172 HydrophobicContact CG2-CB 4.49Å; V118-I172 HydrophobicContact CG2-CG1 3.69Å; I168-I172 HydrophobicContact CG1-CD1 4.1Å; I168-I172 WeakPolarHBondContact O-CD1 3.48Å; I168-I172 WeakPolarHBondContact O-CG1 3.48Å; I168-I172 PolarHBondContact O-N 3.37Å; I172-R174 VanDerWaalsContact C-N 3.33Å; I172-R174 PolarHBondContact O-N 2.76Å; I172-I175 PolarHBondContact O-N 2.67Å; I172-V176 HydrophobicContact CG2-CG2 4.03Å; I172-V176 WeakPolarHBondContact O-CB 3.2Å; I172-V176 VanDerWaalsContact O-CG2 3.32Å; I172-V176 WeakPolarHBondContact O-CG2 3.44Å; I172-V176 PolarHBondContact O-N 2.7Å
173Y95.5Very high90.2Very high28 Ų2859 Ų5911%0.1129%0.285CS..Hα-helixtrans-57.2-44.5179170.9-109.7000112.2Y10 V55 D56 K58 I60 L169 T170 E171 I175 V176 S177Y10-Y173 HydrophobicContact CD2-CD2 4.05Å; Y10-Y173 HydrophobicContact CD2-CE2 4.04Å; Y10-Y173 AromaticContact CE2-CD2 3.89Å; Y10-Y173 HydrophobicContact CE2-CD2 3.89Å; Y10-Y173 AromaticContact CE2-CE2 3.46Å; Y10-Y173 HydrophobicContact CE2-CE2 3.46Å; Y10-Y173 VanDerWaalsContact CE2-CE2 3.46Å; Y10-Y173 AromaticContact CZ-CE2 3.79Å; V55-Y173 HydrophobicContact CG1-CD1 3.72Å; V55-Y173 HydrophobicContact CG1-CE1 4.25Å; V55-Y173 HydrophobicContact CG1-CG 4.28Å; D56-Y173 HydrophobicContact CB-CE1 3.96Å; K58-Y173 HydrophobicContact CB-CE2 4.32Å; K58-Y173 HydrophobicContact CG-CE2 4.14Å; I60-Y173 HydrophobicContact CD1-CD2 4.24Å; I60-Y173 HydrophobicContact CD1-CG 4.1Å; L169-Y173 VanDerWaalsContact O-CB 3.3Å; L169-Y173 WeakPolarHBondContact O-CB 3.44Å; L169-Y173 PolarHBondContact O-N 2.84Å; T170-Y173 WeakPolarHBondContact O-CB 3.23Å; T170-Y173 PolarHBondContact O-N 3.34Å; E171-Y173 VanDerWaalsContact C-N 3.32Å; E171-Y173 PolarHBondContact O-N 2.84Å; Y173-I175 PolarHBondContact O-N 3.47Å; Y173-V176 PolarHBondContact O-N 2.84Å; Y173-S177 WeakPolarHBondContact O-CB 3.26Å; Y173-S177 PolarHBondContact O-N 3.41Å; Y173-S177 PolarHBondContact O-OG 3.44Å
174R93.4Very high88.8Confident145 Ų14563.3 Ų63.355%0.54730%0.297SS..Hα-helixtrans-61.2-43.6177.6-74174.1-179.7174.72.1111.9T170 E171 I172 S177 Q178T170-R174 WeakPolarHBondContact O-CG 3.36Å; T170-R174 PolarHBondContact O-N 3.03Å; E171-R174 PolarHBondContact O-N 2.9Å; I172-R174 VanDerWaalsContact C-N 3.33Å; I172-R174 PolarHBondContact O-N 2.76Å; R174-S177 WeakPolarHBondContact CA-OG 3.28Å; R174-S177 PolarHBondContact O-OG 3.25Å; R174-S177 VanDerWaalsContact O-OG 3.11Å; R174-Q178 WeakPolarHBondContact O-CB 3.41Å; R174-Q178 WeakPolarHBondContact O-CG 3.48Å; R174-Q178 PolarHBondContact O-N 3.42Å; R174-Q178 VanDerWaalsContact O-N 3.14Å
175I91.4Very high87.2Confident55 Ų5566.4 Ų66.428%0.28232%0.319SS..Hα-helixtrans-66.8-44.8179.1-65.5167.5000110.9V118 E171 I172 Y173 R179V118-I175 HydrophobicContact CG2-CD1 3.49Å; V118-I175 VanDerWaalsContact CG2-CD1 3.49Å; E171-I175 HydrophobicContact CG-CD1 4.46Å; E171-I175 WeakPolarHBondContact O-CG1 3.25Å; E171-I175 PolarHBondContact O-N 3.48Å; E171-I175 VanDerWaalsContact O-N 3.14Å; I172-I175 PolarHBondContact O-N 2.67Å; Y173-I175 PolarHBondContact O-N 3.47Å; I175-R179 WeakPolarHBondContact O-CG 3.36Å; I175-R179 PolarHBondContact O-N 2.95Å
176V89.7Confident85.4Confident39 Ų3969.6 Ų69.624%0.23635%0.346CS..Hα-helixtrans-70.5-42.1-177.9174.30000111.6Y10 F12 I172 Y173 R179 Q180Y10-V176 HydrophobicContact CD1-CG1 4.25Å; Y10-V176 HydrophobicContact CE1-CG1 4.07Å; F12-V176 HydrophobicContact CE1-CB 4.48Å; F12-V176 HydrophobicContact CE1-CG1 4.46Å; F12-V176 HydrophobicContact CE1-CG2 4.19Å; F12-V176 HydrophobicContact CZ-CB 4.45Å; F12-V176 HydrophobicContact CZ-CG2 4.43Å; I172-V176 HydrophobicContact CG2-CG2 4.03Å; I172-V176 WeakPolarHBondContact O-CB 3.2Å; I172-V176 VanDerWaalsContact O-CG2 3.32Å; I172-V176 WeakPolarHBondContact O-CG2 3.44Å; I172-V176 PolarHBondContact O-N 2.7Å; Y173-V176 PolarHBondContact O-N 2.84Å; V176-R179 PolarHBondContact O-N 3.19Å; V176-Q180 WeakPolarHBondContact O-CG 3.49Å; V176-Q180 PolarHBondContact O-N 3.45Å
177S88.6Confident83.6Confident20 Ų2072.6 Ų72.614%0.1436%0.361CS..Hα-helixtrans-65.1-40.6178.857.10000112.2Y173 R174 R179 Q180 I181Y173-S177 WeakPolarHBondContact O-CB 3.26Å; Y173-S177 PolarHBondContact O-N 3.41Å; Y173-S177 PolarHBondContact O-OG 3.44Å; R174-S177 WeakPolarHBondContact CA-OG 3.28Å; R174-S177 PolarHBondContact O-OG 3.25Å; R174-S177 VanDerWaalsContact O-OG 3.11Å; S177-R179 PolarHBondContact O-N 2.95Å; S177-Q180 PolarHBondContact O-N 3.19Å; S177-I181 WeakPolarHBondContact O-CG1 3.45Å; S177-I181 PolarHBondContact O-N 3.27Å; S177-I181 VanDerWaalsContact O-N 3.11Å
178Q85Confident81.7Confident130 Ų13076.4 Ų76.461%0.60738%0.381SS*.Hα-helixtrans-61.7-42.3174.5-74.1173.41000112R174 I181 S182R174-Q178 WeakPolarHBondContact O-CB 3.41Å; R174-Q178 WeakPolarHBondContact O-CG 3.48Å; R174-Q178 PolarHBondContact O-N 3.42Å; R174-Q178 VanDerWaalsContact O-N 3.14Å; Q178-I181 PolarHBondContact O-N 2.93Å; Q178-S182 PolarHBondContact O-N 3.14Å; Q178-S182 PolarHBondContact O-OG 3.27Å
179R81.9Confident79.4Confident108 Ų10883.2 Ų83.241%0.40842%0.418SS..Hα-helixtrans-63.4-41176.2-72.5176.3-176-163.4-3112.7N116 I175 V176 S177 I181 S182 D183N116-R179 PolarHBondContact ND2-NH1 2.96Å; N116-R179 VanDerWaalsContact ND2-NH1 3.1Å; N116-R179 PolarHBondContact ND2-NH2 3.03Å; N116-R179 PolarHBondContact OD1-NH2 2.58Å; I175-R179 WeakPolarHBondContact O-CG 3.36Å; I175-R179 PolarHBondContact O-N 2.95Å; V176-R179 PolarHBondContact O-N 3.19Å; S177-R179 PolarHBondContact O-N 2.95Å; R179-I181 VanDerWaalsContact C-N 3.28Å; R179-I181 PolarHBondContact O-N 3.32Å; R179-S182 WeakPolarHBondContact CA-OG 3.37Å; R179-S182 PolarHBondContact O-N 2.84Å; R179-S182 PolarHBondContact O-OG 3.09Å; R179-D183 WeakPolarHBondContact O-CB 3.49Å; R179-D183 PolarHBondContact O-N 3.18Å
180Q77.6Confident77.1Confident81 Ų8186.7 Ų86.738%0.37944%0.442SS..Hα-helixtrans-64.9-33176.7-74.9-172-15.400112.7Y10 V176 S177 R184Y10-Q180 PolarHBondContact OH-OE1 2.83Å; V176-Q180 WeakPolarHBondContact O-CG 3.49Å; V176-Q180 PolarHBondContact O-N 3.45Å; S177-Q180 PolarHBondContact O-N 3.19Å; Q180-R184 WeakPolarHBondContact O-CB 3.47Å; Q180-R184 VanDerWaalsContact O-CG 3.26Å; Q180-R184 WeakPolarHBondContact O-CG 3.23Å; Q180-R184 PolarHBondContact O-N 2.9Å
181I74.3Confident74.8Confident118 Ų11891.2 Ų91.261%0.60547%0.472SS*.Hα-helixtrans-69.2-45.7175.2-65.8163.1000110.1S177 Q178 R179 D183 R184 S185S177-I181 WeakPolarHBondContact O-CG1 3.45Å; S177-I181 PolarHBondContact O-N 3.27Å; S177-I181 VanDerWaalsContact O-N 3.11Å; Q178-I181 PolarHBondContact O-N 2.93Å; R179-I181 VanDerWaalsContact C-N 3.28Å; R179-I181 PolarHBondContact O-N 3.32Å; I181-D183 PolarHBondContact O-N 2.92Å; I181-R184 PolarHBondContact O-N 3.44Å; I181-S185 PolarHBondContact O-N 3.47Å; I181-S185 PolarHBondContact O-OG 2.79Å; I181-S185 VanDerWaalsContact O-OG 3.13Å
182S74.2Confident72.3Confident57 Ų5791 Ų9140%0.39949%0.488SS..Hα-helixtrans-63.8-41.2179570000112.9Q178 R179 R184 S185 A186Q178-S182 PolarHBondContact O-N 3.14Å; Q178-S182 PolarHBondContact O-OG 3.27Å; R179-S182 WeakPolarHBondContact CA-OG 3.37Å; R179-S182 PolarHBondContact O-N 2.84Å; R179-S182 PolarHBondContact O-OG 3.09Å; S182-R184 VanDerWaalsContact C-N 3.34Å; S182-R184 PolarHBondContact O-N 3.26Å; S182-S185 WeakPolarHBondContact CA-OG 3.32Å; S182-S185 PolarHBondContact O-N 3.14Å; S182-S185 PolarHBondContact O-OG 3.02Å; S182-A186 PolarHBondContact O-N 3.01Å
183D71.6Confident70.1Confident103 Ų10398.1 Ų98.155%0.55153%0.525SS*.Hα-helixtrans-67.7-35.6178.7-73.4-13.3000111.8R179 I181 A186 H187R179-D183 WeakPolarHBondContact O-CB 3.49Å; R179-D183 PolarHBondContact O-N 3.18Å; I181-D183 PolarHBondContact O-N 2.92Å; D183-A186 PolarHBondContact O-N 3.36Å; D183-H187 PolarHBondContact O-N 3.09Å
184R68.8Low68Low187 Ų187104 Ų10471%0.70656%0.559SS**Hα-helixtrans-65.7-43.7173.4-77.9177.1179.4-174.81.2112Q180 I181 S182 A186 H187 D188Q180-R184 WeakPolarHBondContact O-CB 3.47Å; Q180-R184 VanDerWaalsContact O-CG 3.26Å; Q180-R184 WeakPolarHBondContact O-CG 3.23Å; Q180-R184 PolarHBondContact O-N 2.9Å; I181-R184 PolarHBondContact O-N 3.44Å; S182-R184 VanDerWaalsContact C-N 3.34Å; S182-R184 PolarHBondContact O-N 3.26Å; R184-A186 VanDerWaalsContact C-N 3.3Å; R184-A186 PolarHBondContact O-N 3.3Å; R184-H187 PolarHBondContact O-N 3.19Å; R184-D188 PolarHBondContact O-N 2.77Å
185S65.4Low66Low69 Ų69102 Ų10248%0.48356%0.562SS.*Hα-helixtrans-64.2-34.3175.445.80000112.9I181 S182 D188 D189I181-S185 PolarHBondContact O-N 3.47Å; I181-S185 PolarHBondContact O-OG 2.79Å; I181-S185 VanDerWaalsContact O-OG 3.13Å; S182-S185 WeakPolarHBondContact CA-OG 3.32Å; S182-S185 PolarHBondContact O-N 3.14Å; S182-S185 PolarHBondContact O-OG 3.02Å; S185-D188 PolarHBondContact O-N 2.64Å; S185-D189 PolarHBondContact O-N 2.75Å
186A60.3Low64.2Low69 Ų69105 Ų10557%0.5758%0.583SS**Hα-helixtrans-71.4-30175.800000112.8S182 D183 R184S182-A186 PolarHBondContact O-N 3.01Å; D183-A186 PolarHBondContact O-N 3.36Å; R184-A186 VanDerWaalsContact C-N 3.3Å; R184-A186 PolarHBondContact O-N 3.3Å
187H58.2Low61.9Low150 Ų150110.1 Ų110.169%0.69461%0.609SS**Hα-helixtrans-76.1-33.1174.7-107.4-61000113.2D183 R184 D189 S190D183-H187 PolarHBondContact O-N 3.09Å; R184-H187 PolarHBondContact O-N 3.19Å; H187-D189 VanDerWaalsContact C-N 3.29Å; H187-D189 PolarHBondContact O-N 3.39Å; H187-S190 PolarHBondContact O-N 3.2Å; H187-S190 PolarHBondContact O-OG 3.13Å; H187-S190 VanDerWaalsContact O-OG 3.11Å
188D56.8Low60.1Low149 Ų149116.1 Ų116.180%0.79764%0.638SS**Hα-helixtrans-74.6-18.3178.2-136.413.9000112.8R184 S185 S190R184-D188 PolarHBondContact O-N 2.77Å; S185-D188 PolarHBondContact O-N 2.64Å; D188-S190 VanDerWaalsContact C-N 3.33Å
189D51Low58.3Low143 Ų143115.1 Ų115.177%0.76565%0.646SS**THydrogen-bonded Turntrans-91.915.8175.7-119.6-7.4000113.5S185 H187 P191S185-D189 PolarHBondContact O-N 2.75Å; H187-D189 VanDerWaalsContact C-N 3.29Å; H187-D189 PolarHBondContact O-N 3.39Å; D189-P191 VanDerWaalsContact O-CD 3.32Å; D189-P191 WeakPolarHBondContact O-CD 3.32Å
190S47.3Very low56.8Low75 Ų75115.7 Ų115.752%0.52466%0.661SS.*SBendtrans-65.2117.5167.4-630000108.3H187 D188 G192H187-S190 PolarHBondContact O-N 3.2Å; H187-S190 PolarHBondContact O-OG 3.13Å; H187-S190 VanDerWaalsContact O-OG 3.11Å; D188-S190 VanDerWaalsContact C-N 3.33Å; S190-G192 PolarHBondContact O-N 3.23Å
191P47.8Very low55.5Low121 Ų121116.8 Ų116.879%0.78668%0.675SS**  trans-60.9119.8176.925-31.2000107.3D189 N193D189-P191 VanDerWaalsContact O-CD 3.32Å; D189-P191 WeakPolarHBondContact O-CD 3.32Å; P191-N193 PolarHBondContact O-N 2.91Å; P191-N193 VanDerWaalsContact O-N 3.14Å
192G44.6Very low53.9Low62 Ų62117 Ų11764%0.63968%0.684SS**  trans-43.6125.5170.900000108.6S190 N194S190-G192 PolarHBondContact O-N 3.23Å; G192-N194 PolarHBondContact O-N 3.21Å
193N48.8Very low52.9Low151 Ų151121 Ų12181%0.80771%0.706SS**  trans-62.981-178.7-148.426.2000108.1P191 V195P191-N193 PolarHBondContact O-N 2.91Å; P191-N193 VanDerWaalsContact O-N 3.14Å; N193-V195 PolarHBondContact O-N 3.31Å
194N52.3Low51.7Low153 Ų153124.6 Ų124.682%0.81872%0.722SS**  trans-72.171.5168.5-85.2-24.1000107.2G192 V196G192-N194 PolarHBondContact O-N 3.21Å; N194-V196 VanDerWaalsContact C-N 3.28Å; N194-V196 PolarHBondContact O-N 3.41Å
195V50.6Low50.6Low101 Ų101124 Ų12461%0.61273%0.733SS**  trans-70.196.1161.6-176.50000105.3N193 D197N193-V195 PolarHBondContact O-N 3.31Å; V195-D197 PolarHBondContact O-N 3.01Å
196V52.9Low49.3Very low119 Ų119124.1 Ų124.172%0.72175%0.745SS**  trans-72.4110.8163.8-176.60000105.7N194 I198N194-V196 VanDerWaalsContact C-N 3.28Å; N194-V196 PolarHBondContact O-N 3.41Å; V196-I198 PolarHBondContact O-N 3.05Å
197D42.6Very low48.5Very low146 Ų146128.5 Ų128.578%0.78175%0.753SS**  trans-59.4106.3171-98.1-37.2000108.9V195 S199V195-D197 PolarHBondContact O-N 3.01Å; D197-S199 VanDerWaalsContact C-N 3.34Å; D197-S199 PolarHBondContact O-N 3.28Å; D197-S199 VanDerWaalsContact O-N 3.09Å
198I50.8Low47.7Very low146 Ų146132.3 Ų132.375%0.74976%0.762SS**  trans-79.690.9170-57.8176.7000106.6V196 V200V196-I198 PolarHBondContact O-N 3.05Å; I198-V200 HydrophobicContact CG2-CG2 4.07Å; I198-V200 PolarHBondContact O-N 3.19Å; I198-V200 VanDerWaalsContact O-N 3.12Å
199S45.8Very low46.7Very low110 Ų110128.7 Ų128.777%0.76976%0.759SS**  trans-72.3100168.559.30000109.2D197 P201D197-S199 VanDerWaalsContact C-N 3.34Å; D197-S199 PolarHBondContact O-N 3.28Å; D197-S199 VanDerWaalsContact O-N 3.09Å; S199-P201 WeakPolarHBondContact O-CD 3.48Å
200V51Low46Very low119 Ų119129.7 Ų129.772%0.72177%0.765SS**PPolyproline II helixtrans-78.3117.8171.8-170.10000108.1I198I198-V200 HydrophobicContact CG2-CG2 4.07Å; I198-V200 PolarHBondContact O-N 3.19Å; I198-V200 VanDerWaalsContact O-N 3.12Å
201P49.6Very low46Very low104 Ų104135.6 Ų135.668%0.67578%0.781SS**PPolyproline II helixtrans-67.9141.117426.3-30.9000110.1S199 T203S199-P201 WeakPolarHBondContact O-CD 3.48Å; P201-T203 PolarHBondContact O-N 3.03Å
202P41.3Very low46.1Very low123 Ų123138.1 Ų138.180%0.79979%0.787SS**PPolyproline II helixtrans-64132179.925.6-33.2000110.7M204P202-M204 PolarHBondContact O-N 3.22Å
203T53.9Low46.4Very low141 Ų141141 Ų14187%0.86580%0.795SS**PPolyproline II helixtrans-60.8120175.4-320000109.3P201 D205P201-T203 PolarHBondContact O-N 3.03Å; T203-D205 PolarHBondContact O-N 3.06Å
204M46.5Very low45.8Very low179 Ų179139.9 Ų139.988%0.88280%0.797SS**PPolyproline II helixtrans-69.7129.8175.3-65.4-16477.600110.6P202P202-M204 PolarHBondContact O-N 3.22Å
205D44.7Very low45.9Very low174 Ų174139 Ų13993%0.9380%0.801SS**PPolyproline II helixtrans-57133.9172-90.3-48.4000112.2T203T203-D205 PolarHBondContact O-N 3.06Å
206G39.1Very low45.8Very low71 Ų71143.1 Ų143.173%0.73281%0.814SS**  trans-167.755.4-17700000116
207Q42Very low45.2Very low161 Ų161142.8 Ų142.875%0.75282%0.817SS**  trans48127.7149.3-84.3-169.12200123.6
208R41.2Very low45.4Very low230 Ų230147.5 Ų147.587%0.86884%0.841SS**  trans85.1116.1140.1-69174.2-168.2-150.3-2.8119.3
209G36.3Very low45.1Very low73 Ų73147.6 Ų147.675%0.75385%0.846SS**  trans160.796.5148.600000116.5
210N37.8Very low45.1Very low165 Ų165149.6 Ų149.688%0.88285%0.85SS**  trans65.8105.4152.7-74.4-7.6000122.6
211K45.3Very low44.8Very low199 Ų199151.3 Ų151.387%0.86586%0.857SS**  trans-11.7130.7142.5-63.9177.3175-178.60117.1
212L51.5Low44.5Very low174 Ų174154.1 Ų154.191%0.91187%0.867SS**  trans-156.3149.2130.3-90.7131.3000109.6
213P49.7Very low44.7Very low122 Ų122156 Ų15679%0.79287%0.872SS**PPolyproline II helixtrans-95.1146.3-160.18.910.7000114.7
214C36.6Very low44.1Very low127 Ų127157 Ų15786%0.85887%0.872SS**PPolyproline II helixtrans-66.8141168.7-75.40000113
215C54.3Low43.9Very low135 Ų135155.4 Ų155.491%0.91287%0.872SS**PPolyproline II helixtrans-93.7132.1159.3-77.90000110.4
216Q48.1Very low43.8Very low187 Ų187154 Ų15487%0.87487%0.867SS**PPolyproline II helixtrans-78.6155.4178.3-73.1171.8-29.500112
217S40.9Very low44.2Very low112 Ų112160.9 Ų160.978%0.78388%0.878SS**PPolyproline II helixtrans-56.7149.4169.253.30000114.2
218L47.1Very low44.4Very low246 Ų246160.9 Ų160.9100%1.28889%0.89SS**  trans-138.30130.6-100160.9000108.1

Retrieved 218 of 218 residues in 462.5 ms (Link to these results)

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